diff --git a/1bta_pymol.pdb b/1bta_pymol.pdb new file mode 100644 index 0000000..ff03d5e --- /dev/null +++ b/1bta_pymol.pdb @@ -0,0 +1,1326 @@ +ATOM 1 N LYS A 1 -8.655 5.770 8.371 1.00 1.40 N +ATOM 2 CA LYS A 1 -7.542 5.187 9.163 1.00 0.52 C +ATOM 3 C LYS A 1 -6.210 5.619 8.561 1.00 0.39 C +ATOM 4 O LYS A 1 -6.156 6.468 7.693 1.00 0.33 O +ATOM 5 CB LYS A 1 -7.641 3.666 9.159 1.00 1.53 C +ATOM 6 CG LYS A 1 -7.750 3.179 10.602 1.00 2.38 C +ATOM 7 CD LYS A 1 -9.158 3.466 11.126 1.00 3.11 C +ATOM 8 CE LYS A 1 -9.145 4.744 11.965 1.00 3.58 C +ATOM 9 NZ LYS A 1 -9.497 4.416 13.375 1.00 4.21 N1+ +ATOM 10 H01 LYS A 1 -9.387 5.239 13.950 1.00 4.21 H +ATOM 11 H02 LYS A 1 -8.961 5.103 7.677 1.00 1.40 H +ATOM 12 H03 LYS A 1 -7.608 5.543 10.191 1.00 0.52 H +ATOM 13 H04 LYS A 1 -6.752 3.241 8.694 1.00 1.53 H +ATOM 14 H05 LYS A 1 -7.018 3.699 11.219 1.00 2.38 H +ATOM 15 H06 LYS A 1 -9.494 2.631 11.741 1.00 3.11 H +ATOM 16 H07 LYS A 1 -9.871 5.451 11.563 1.00 3.58 H +ATOM 17 H08 LYS A 1 -8.888 3.684 13.713 1.00 4.21 H +ATOM 18 H09 LYS A 1 -8.337 6.612 7.912 1.00 1.40 H +ATOM 19 H10 LYS A 1 -8.519 3.353 8.594 1.00 1.53 H +ATOM 20 H11 LYS A 1 -7.557 2.107 10.641 1.00 2.38 H +ATOM 21 H12 LYS A 1 -9.837 3.595 10.283 1.00 3.11 H +ATOM 22 H13 LYS A 1 -8.151 5.189 11.933 1.00 3.58 H +ATOM 23 H14 LYS A 1 -10.456 4.102 13.418 1.00 4.21 H +ATOM 24 N LYS A 2 -5.128 5.066 9.028 1.00 0.51 N +ATOM 25 CA LYS A 2 -3.813 5.485 8.490 1.00 0.44 C +ATOM 26 C LYS A 2 -2.931 4.277 8.172 1.00 0.41 C +ATOM 27 O LYS A 2 -3.040 3.218 8.757 1.00 0.58 O +ATOM 28 CB LYS A 2 -3.138 6.383 9.534 1.00 0.63 C +ATOM 29 CG LYS A 2 -1.624 6.134 9.604 1.00 1.04 C +ATOM 30 CD LYS A 2 -0.967 7.224 10.453 1.00 0.93 C +ATOM 31 CE LYS A 2 0.116 7.929 9.634 1.00 0.63 C +ATOM 32 NZ LYS A 2 1.057 8.630 10.551 1.00 1.43 N1+ +ATOM 33 H01 LYS A 2 1.332 8.004 11.295 1.00 1.43 H +ATOM 34 H02 LYS A 2 -5.184 4.360 9.748 1.00 0.51 H +ATOM 35 H03 LYS A 2 -3.957 6.029 7.557 1.00 0.44 H +ATOM 36 H04 LYS A 2 -3.576 6.180 10.511 1.00 0.63 H +ATOM 37 H05 LYS A 2 -1.205 6.154 8.598 1.00 1.04 H +ATOM 38 H06 LYS A 2 -0.518 6.774 11.338 1.00 0.93 H +ATOM 39 H07 LYS A 2 -0.348 8.654 8.965 1.00 0.63 H +ATOM 40 H08 LYS A 2 0.603 9.442 10.944 1.00 1.43 H +ATOM 41 H09 LYS A 2 -3.298 7.421 9.243 1.00 0.63 H +ATOM 42 H10 LYS A 2 -1.437 5.160 10.055 1.00 1.04 H +ATOM 43 H11 LYS A 2 -1.721 7.950 10.757 1.00 0.93 H +ATOM 44 H12 LYS A 2 0.664 7.192 9.047 1.00 0.63 H +ATOM 45 H13 LYS A 2 1.876 8.920 10.035 1.00 1.43 H +ATOM 46 N ALA A 3 -2.040 4.474 7.250 1.00 0.27 N +ATOM 47 CA ALA A 3 -1.086 3.403 6.848 1.00 0.30 C +ATOM 48 C ALA A 3 0.316 4.013 6.751 1.00 0.30 C +ATOM 49 O ALA A 3 0.469 5.207 6.586 1.00 0.54 O +ATOM 50 CB ALA A 3 -1.491 2.834 5.486 1.00 0.34 C +ATOM 51 H01 ALA A 3 -1.760 1.784 5.596 1.00 0.34 H +ATOM 52 H02 ALA A 3 -1.992 5.374 6.794 1.00 0.27 H +ATOM 53 H03 ALA A 3 -1.097 2.600 7.584 1.00 0.30 H +ATOM 54 H04 ALA A 3 -0.656 2.925 4.791 1.00 0.34 H +ATOM 55 H05 ALA A 3 -2.346 3.389 5.101 1.00 0.34 H +ATOM 56 N VAL A 4 1.342 3.214 6.860 1.00 0.30 N +ATOM 57 CA VAL A 4 2.725 3.769 6.780 1.00 0.27 C +ATOM 58 C VAL A 4 3.643 2.773 6.074 1.00 0.26 C +ATOM 59 O VAL A 4 3.842 1.667 6.535 1.00 0.33 O +ATOM 60 CB VAL A 4 3.250 4.021 8.194 1.00 0.30 C +ATOM 61 CG1 VAL A 4 4.617 4.709 8.122 1.00 0.35 C +ATOM 62 CG2 VAL A 4 2.262 4.915 8.946 1.00 0.35 C +ATOM 63 H01 VAL A 4 2.081 5.822 8.370 1.00 0.35 H +ATOM 64 H02 VAL A 4 1.201 2.224 6.998 1.00 0.30 H +ATOM 65 H03 VAL A 4 2.706 4.703 6.219 1.00 0.27 H +ATOM 66 H04 VAL A 4 3.356 3.072 8.719 1.00 0.30 H +ATOM 67 H05 VAL A 4 4.935 4.993 9.125 1.00 0.35 H +ATOM 68 H06 VAL A 4 2.677 5.179 9.919 1.00 0.35 H +ATOM 69 H07 VAL A 4 4.544 5.600 7.498 1.00 0.35 H +ATOM 70 H08 VAL A 4 1.323 4.380 9.086 1.00 0.35 H +ATOM 71 H09 VAL A 4 5.346 4.023 7.691 1.00 0.35 H +ATOM 72 N ILE A 5 4.210 3.153 4.961 1.00 0.23 N +ATOM 73 CA ILE A 5 5.117 2.213 4.245 1.00 0.23 C +ATOM 74 C ILE A 5 6.570 2.567 4.552 1.00 0.25 C +ATOM 75 O ILE A 5 7.176 3.388 3.893 1.00 0.27 O +ATOM 76 CB ILE A 5 4.879 2.300 2.742 1.00 0.23 C +ATOM 77 CG1 ILE A 5 3.360 2.231 2.478 1.00 0.23 C +ATOM 78 CG2 ILE A 5 5.620 1.142 2.061 1.00 0.24 C +ATOM 79 CD1 ILE A 5 3.034 1.246 1.346 1.00 0.22 C +ATOM 80 H01 ILE A 5 2.783 0.274 1.770 1.00 0.22 H +ATOM 81 H02 ILE A 5 4.035 4.076 4.589 1.00 0.23 H +ATOM 82 H03 ILE A 5 4.911 1.197 4.581 1.00 0.23 H +ATOM 83 H04 ILE A 5 5.257 3.238 2.336 1.00 0.23 H +ATOM 84 H05 ILE A 5 3.002 3.222 2.201 1.00 0.23 H +ATOM 85 H06 ILE A 5 5.744 1.363 1.001 1.00 0.24 H +ATOM 86 H07 ILE A 5 3.900 1.145 0.691 1.00 0.22 H +ATOM 87 H08 ILE A 5 2.869 1.884 3.387 1.00 0.23 H +ATOM 88 H09 ILE A 5 5.044 0.224 2.176 1.00 0.24 H +ATOM 89 H10 ILE A 5 2.187 1.621 0.772 1.00 0.22 H +ATOM 90 H11 ILE A 5 6.599 1.016 2.523 1.00 0.24 H +ATOM 91 N ASN A 6 7.134 1.947 5.547 1.00 0.27 N +ATOM 92 CA ASN A 6 8.545 2.232 5.905 1.00 0.31 C +ATOM 93 C ASN A 6 9.466 1.399 5.009 1.00 0.31 C +ATOM 94 O ASN A 6 9.611 0.207 5.189 1.00 0.35 O +ATOM 95 CB ASN A 6 8.759 1.859 7.370 1.00 0.37 C +ATOM 96 CG ASN A 6 8.067 2.890 8.264 1.00 0.65 C +ATOM 97 ND2 ASN A 6 8.054 2.711 9.557 1.00 1.13 N +ATOM 98 OD1 ASN A 6 7.534 3.869 7.782 1.00 1.48 O +ATOM 99 H01 ASN A 6 8.498 1.897 9.959 1.00 1.13 H +ATOM 100 H02 ASN A 6 6.608 1.268 6.079 1.00 0.27 H +ATOM 101 H03 ASN A 6 8.771 3.289 5.762 1.00 0.31 H +ATOM 102 H04 ASN A 6 9.826 1.844 7.590 1.00 0.37 H +ATOM 103 H05 ASN A 6 7.600 3.386 10.156 1.00 1.13 H +ATOM 104 H06 ASN A 6 8.337 0.872 7.559 1.00 0.37 H +ATOM 105 N GLY A 7 10.078 2.017 4.035 1.00 0.33 N +ATOM 106 CA GLY A 7 10.976 1.261 3.114 1.00 0.36 C +ATOM 107 C GLY A 7 12.182 0.718 3.879 1.00 0.35 C +ATOM 108 O GLY A 7 12.583 -0.414 3.694 1.00 0.46 O +ATOM 109 H01 GLY A 7 11.321 1.925 2.321 1.00 0.36 H +ATOM 110 H02 GLY A 7 9.943 3.009 3.905 1.00 0.33 H +ATOM 111 H03 GLY A 7 10.422 0.426 2.685 1.00 0.36 H +ATOM 112 N GLU A 8 12.767 1.509 4.735 1.00 0.38 N +ATOM 113 CA GLU A 8 13.946 1.022 5.505 1.00 0.43 C +ATOM 114 C GLU A 8 13.659 -0.390 6.019 1.00 0.39 C +ATOM 115 O GLU A 8 14.559 -1.170 6.260 1.00 0.45 O +ATOM 116 CB GLU A 8 14.207 1.950 6.696 1.00 0.53 C +ATOM 117 CG GLU A 8 14.064 3.409 6.256 1.00 1.39 C +ATOM 118 CD GLU A 8 14.660 4.324 7.328 1.00 1.74 C +ATOM 119 OE1 GLU A 8 14.225 4.232 8.464 1.00 2.30 O +ATOM 120 OE2 GLU A 8 15.540 5.100 6.994 1.00 2.19 O1- +ATOM 121 H01 GLU A 8 13.009 3.647 6.120 1.00 1.39 H +ATOM 122 H02 GLU A 8 12.422 2.448 4.875 1.00 0.38 H +ATOM 123 H03 GLU A 8 14.823 1.012 4.858 1.00 0.43 H +ATOM 124 H04 GLU A 8 15.216 1.782 7.073 1.00 0.53 H +ATOM 125 H05 GLU A 8 14.593 3.559 5.315 1.00 1.39 H +ATOM 126 H06 GLU A 8 13.483 1.738 7.483 1.00 0.53 H +ATOM 127 N GLN A 9 12.408 -0.720 6.195 1.00 0.35 N +ATOM 128 CA GLN A 9 12.051 -2.069 6.699 1.00 0.38 C +ATOM 129 C GLN A 9 11.745 -3.001 5.523 1.00 0.35 C +ATOM 130 O GLN A 9 12.213 -4.121 5.468 1.00 0.40 O +ATOM 131 CB GLN A 9 10.811 -1.937 7.578 1.00 0.43 C +ATOM 132 CG GLN A 9 11.027 -0.819 8.600 1.00 0.50 C +ATOM 133 CD GLN A 9 11.790 -1.365 9.805 1.00 1.06 C +ATOM 134 NE2 GLN A 9 11.151 -2.059 10.705 1.00 1.49 N +ATOM 135 OE1 GLN A 9 12.979 -1.155 9.931 1.00 1.97 O +ATOM 136 H01 GLN A 9 10.161 -2.232 10.601 1.00 1.49 H +ATOM 137 H02 GLN A 9 11.679 -0.053 5.987 1.00 0.35 H +ATOM 138 H03 GLN A 9 12.881 -2.485 7.270 1.00 0.38 H +ATOM 139 H04 GLN A 9 10.633 -2.877 8.099 1.00 0.43 H +ATOM 140 H05 GLN A 9 10.061 -0.433 8.926 1.00 0.50 H +ATOM 141 H06 GLN A 9 11.646 -2.423 11.507 1.00 1.49 H +ATOM 142 H07 GLN A 9 9.949 -1.698 6.956 1.00 0.43 H +ATOM 143 H08 GLN A 9 11.604 -0.016 8.141 1.00 0.50 H +ATOM 144 N ILE A 10 10.952 -2.550 4.591 1.00 0.32 N +ATOM 145 CA ILE A 10 10.597 -3.408 3.424 1.00 0.34 C +ATOM 146 C ILE A 10 11.825 -4.171 2.934 1.00 0.31 C +ATOM 147 O ILE A 10 12.893 -3.617 2.765 1.00 0.35 O +ATOM 148 CB ILE A 10 10.059 -2.546 2.281 1.00 0.37 C +ATOM 149 CG1 ILE A 10 8.683 -2.005 2.655 1.00 0.51 C +ATOM 150 CG2 ILE A 10 9.933 -3.402 1.018 1.00 0.35 C +ATOM 151 CD1 ILE A 10 7.689 -3.158 2.715 1.00 0.78 C +ATOM 152 H01 ILE A 10 7.455 -3.383 3.756 1.00 0.78 H +ATOM 153 H02 ILE A 10 10.576 -1.615 4.660 1.00 0.32 H +ATOM 154 H03 ILE A 10 9.831 -4.116 3.741 1.00 0.34 H +ATOM 155 H04 ILE A 10 10.742 -1.716 2.100 1.00 0.37 H +ATOM 156 H05 ILE A 10 8.359 -1.282 1.906 1.00 0.51 H +ATOM 157 H06 ILE A 10 9.452 -4.348 1.266 1.00 0.35 H +ATOM 158 H07 ILE A 10 8.123 -4.038 2.241 1.00 0.78 H +ATOM 159 H08 ILE A 10 8.735 -1.516 3.628 1.00 0.51 H +ATOM 160 H09 ILE A 10 10.925 -3.594 0.608 1.00 0.35 H +ATOM 161 H10 ILE A 10 6.776 -2.877 2.191 1.00 0.78 H +ATOM 162 H11 ILE A 10 9.332 -2.872 0.279 1.00 0.35 H +ATOM 163 N ARG A 11 11.668 -5.440 2.692 1.00 0.33 N +ATOM 164 CA ARG A 11 12.794 -6.261 2.200 1.00 0.37 C +ATOM 165 C ARG A 11 12.423 -6.834 0.830 1.00 0.39 C +ATOM 166 O ARG A 11 13.251 -7.368 0.120 1.00 0.48 O +ATOM 167 CB ARG A 11 13.035 -7.400 3.184 1.00 0.50 C +ATOM 168 CG ARG A 11 13.677 -6.844 4.458 1.00 0.57 C +ATOM 169 CD ARG A 11 15.105 -7.376 4.589 1.00 1.27 C +ATOM 170 NE ARG A 11 15.489 -7.404 6.030 1.00 1.87 N +ATOM 171 CZ ARG A 11 16.544 -8.065 6.417 1.00 2.53 C +ATOM 172 H01 ARG A 11 16.868 -8.733 5.619 1.00 2.53 H +ATOM 173 H02 ARG A 11 10.766 -5.869 2.842 1.00 0.33 H +ATOM 174 H03 ARG A 11 13.697 -5.657 2.111 1.00 0.37 H +ATOM 175 H04 ARG A 11 13.699 -8.137 2.733 1.00 0.50 H +ATOM 176 H05 ARG A 11 13.093 -7.154 5.324 1.00 0.57 H +ATOM 177 H06 ARG A 11 15.788 -6.727 4.042 1.00 1.27 H +ATOM 178 H07 ARG A 11 14.703 -7.791 6.533 1.00 1.87 H +ATOM 179 H08 ARG A 11 16.302 -8.650 7.304 1.00 2.53 H +ATOM 180 H09 ARG A 11 12.085 -7.874 3.432 1.00 0.50 H +ATOM 181 H10 ARG A 11 13.701 -5.756 4.405 1.00 0.57 H +ATOM 182 H11 ARG A 11 15.159 -8.384 4.177 1.00 1.27 H +ATOM 183 H12 ARG A 11 17.345 -7.364 6.652 1.00 2.53 H +ATOM 184 N SER A 12 11.174 -6.725 0.458 1.00 0.37 N +ATOM 185 CA SER A 12 10.732 -7.258 -0.860 1.00 0.45 C +ATOM 186 C SER A 12 9.270 -6.869 -1.096 1.00 0.42 C +ATOM 187 O SER A 12 8.619 -6.289 -0.242 1.00 0.37 O +ATOM 188 CB SER A 12 10.862 -8.781 -0.865 1.00 0.56 C +ATOM 189 OG SER A 12 11.282 -9.221 0.419 1.00 1.44 O +ATOM 190 H01 SER A 12 11.517 -10.151 0.378 1.00 1.44 H +ATOM 191 H02 SER A 12 10.506 -6.277 1.068 1.00 0.37 H +ATOM 192 H03 SER A 12 11.355 -6.840 -1.651 1.00 0.45 H +ATOM 193 H04 SER A 12 11.597 -9.082 -1.612 1.00 0.56 H +ATOM 194 H05 SER A 12 9.898 -9.229 -1.107 1.00 0.56 H +ATOM 195 N ILE A 13 8.741 -7.185 -2.245 1.00 0.47 N +ATOM 196 CA ILE A 13 7.324 -6.831 -2.520 1.00 0.46 C +ATOM 197 C ILE A 13 6.445 -7.446 -1.435 1.00 0.41 C +ATOM 198 O ILE A 13 5.579 -6.799 -0.887 1.00 0.36 O +ATOM 199 CB ILE A 13 6.908 -7.370 -3.892 1.00 0.56 C +ATOM 200 CG1 ILE A 13 5.570 -6.749 -4.313 1.00 0.63 C +ATOM 201 CG2 ILE A 13 6.753 -8.888 -3.812 1.00 0.64 C +ATOM 202 CD1 ILE A 13 5.564 -5.246 -4.010 1.00 0.57 C +ATOM 203 H01 ILE A 13 6.524 -4.814 -4.292 1.00 0.57 H +ATOM 204 H02 ILE A 13 9.290 -7.667 -2.943 1.00 0.47 H +ATOM 205 H03 ILE A 13 7.209 -5.747 -2.520 1.00 0.46 H +ATOM 206 H04 ILE A 13 7.672 -7.112 -4.625 1.00 0.56 H +ATOM 207 H05 ILE A 13 4.760 -7.231 -3.765 1.00 0.63 H +ATOM 208 H06 ILE A 13 6.741 -9.198 -2.767 1.00 0.64 H +ATOM 209 H07 ILE A 13 5.394 -5.090 -2.945 1.00 0.57 H +ATOM 210 H08 ILE A 13 5.432 -6.896 -5.384 1.00 0.63 H +ATOM 211 H09 ILE A 13 7.588 -9.367 -4.324 1.00 0.64 H +ATOM 212 H10 ILE A 13 4.768 -4.765 -4.579 1.00 0.57 H +ATOM 213 H11 ILE A 13 5.818 -9.183 -4.288 1.00 0.64 H +ATOM 214 N SER A 14 6.669 -8.690 -1.109 1.00 0.46 N +ATOM 215 CA SER A 14 5.851 -9.332 -0.047 1.00 0.44 C +ATOM 216 C SER A 14 5.859 -8.424 1.179 1.00 0.37 C +ATOM 217 O SER A 14 4.837 -8.162 1.781 1.00 0.35 O +ATOM 218 CB SER A 14 6.453 -10.689 0.312 1.00 0.50 C +ATOM 219 OG SER A 14 5.481 -11.469 0.996 1.00 1.07 O +ATOM 220 H01 SER A 14 5.303 -11.079 1.855 1.00 1.07 H +ATOM 221 H02 SER A 14 7.395 -9.214 -1.576 1.00 0.46 H +ATOM 222 H03 SER A 14 4.829 -9.481 -0.396 1.00 0.44 H +ATOM 223 H04 SER A 14 7.322 -10.544 0.954 1.00 0.50 H +ATOM 224 H05 SER A 14 6.759 -11.204 -0.598 1.00 0.50 H +ATOM 225 N ASP A 15 7.009 -7.928 1.541 1.00 0.34 N +ATOM 226 CA ASP A 15 7.097 -7.021 2.709 1.00 0.30 C +ATOM 227 C ASP A 15 6.187 -5.819 2.475 1.00 0.24 C +ATOM 228 O ASP A 15 5.470 -5.386 3.353 1.00 0.23 O +ATOM 229 CB ASP A 15 8.536 -6.538 2.871 1.00 0.30 C +ATOM 230 CG ASP A 15 9.056 -6.939 4.254 1.00 0.33 C +ATOM 231 OD1 ASP A 15 8.483 -7.843 4.840 1.00 1.17 O +ATOM 232 OD2 ASP A 15 10.015 -6.335 4.705 1.00 1.08 O1- +ATOM 233 H01 ASP A 15 8.570 -5.453 2.770 1.00 0.30 H +ATOM 234 H02 ASP A 15 7.844 -8.163 1.023 1.00 0.34 H +ATOM 235 H03 ASP A 15 6.788 -7.551 3.610 1.00 0.30 H +ATOM 236 H04 ASP A 15 9.161 -6.993 2.102 1.00 0.30 H +ATOM 237 N LEU A 16 6.211 -5.283 1.288 1.00 0.25 N +ATOM 238 CA LEU A 16 5.347 -4.111 0.980 1.00 0.23 C +ATOM 239 C LEU A 16 3.898 -4.464 1.298 1.00 0.22 C +ATOM 240 O LEU A 16 3.233 -3.804 2.073 1.00 0.21 O +ATOM 241 CB LEU A 16 5.470 -3.779 -0.505 1.00 0.28 C +ATOM 242 CG LEU A 16 4.802 -2.436 -0.784 1.00 0.31 C +ATOM 243 CD1 LEU A 16 5.341 -1.386 0.188 1.00 0.31 C +ATOM 244 CD2 LEU A 16 5.110 -2.013 -2.219 1.00 0.39 C +ATOM 245 H01 LEU A 16 4.943 -0.941 -2.326 1.00 0.39 H +ATOM 246 H02 LEU A 16 6.817 -5.664 0.575 1.00 0.25 H +ATOM 247 H03 LEU A 16 5.657 -3.253 1.577 1.00 0.23 H +ATOM 248 H04 LEU A 16 3.446 -5.332 0.817 1.00 0.22 H +ATOM 249 H05 LEU A 16 4.983 -4.557 -1.093 1.00 0.28 H +ATOM 250 H06 LEU A 16 3.724 -2.527 -0.653 1.00 0.31 H +ATOM 251 H07 LEU A 16 5.572 -1.858 1.143 1.00 0.31 H +ATOM 252 H08 LEU A 16 4.458 -2.554 -2.906 1.00 0.39 H +ATOM 253 H09 LEU A 16 6.524 -3.724 -0.778 1.00 0.28 H +ATOM 254 H10 LEU A 16 4.591 -0.610 0.338 1.00 0.31 H +ATOM 255 H11 LEU A 16 6.150 -2.243 -2.449 1.00 0.39 H +ATOM 256 H12 LEU A 16 6.246 -0.941 -0.225 1.00 0.31 H +ATOM 257 N GLN A 18 2.969 -6.639 3.055 1.00 0.19 N +ATOM 258 CA GLN A 18 2.905 -7.047 4.475 1.00 0.19 C +ATOM 259 C GLN A 18 2.501 -5.844 5.322 1.00 0.17 C +ATOM 260 O GLN A 18 1.541 -5.888 6.067 1.00 0.18 O +ATOM 261 CB GLN A 18 4.275 -7.553 4.927 1.00 0.21 C +ATOM 262 CG GLN A 18 4.092 -8.654 5.975 1.00 0.55 C +ATOM 263 CD GLN A 18 5.461 -9.139 6.452 1.00 1.31 C +ATOM 264 NE2 GLN A 18 5.626 -10.399 6.749 1.00 2.02 N +ATOM 265 OE1 GLN A 18 6.390 -8.363 6.557 1.00 2.11 O +ATOM 266 H01 GLN A 18 4.853 -11.044 6.662 1.00 2.02 H +ATOM 267 H02 GLN A 18 2.272 -5.930 2.876 1.00 0.19 H +ATOM 268 H03 GLN A 18 2.171 -7.844 4.594 1.00 0.19 H +ATOM 269 H04 GLN A 18 3.085 -4.926 5.258 1.00 0.17 H +ATOM 270 H05 GLN A 18 4.843 -6.729 5.360 1.00 0.21 H +ATOM 271 H06 GLN A 18 3.544 -9.487 5.535 1.00 0.55 H +ATOM 272 H07 GLN A 18 6.526 -10.729 7.066 1.00 2.02 H +ATOM 273 H08 GLN A 18 2.794 -7.440 2.466 1.00 0.19 H +ATOM 274 H09 GLN A 18 4.815 -7.954 4.069 1.00 0.21 H +ATOM 275 H10 GLN A 18 3.533 -8.258 6.823 1.00 0.55 H +ATOM 276 N LEU A 20 1.286 -3.056 4.258 1.00 0.16 N +ATOM 277 CA LEU A 20 -0.022 -2.590 3.751 1.00 0.18 C +ATOM 278 C LEU A 20 -1.104 -3.472 4.365 1.00 0.17 C +ATOM 279 O LEU A 20 -2.183 -3.040 4.683 1.00 0.24 O +ATOM 280 CB LEU A 20 -0.050 -2.738 2.232 1.00 0.19 C +ATOM 281 CG LEU A 20 0.878 -1.705 1.588 1.00 0.20 C +ATOM 282 CD1 LEU A 20 0.822 -1.851 0.068 1.00 0.23 C +ATOM 283 CD2 LEU A 20 0.434 -0.292 1.981 1.00 0.21 C +ATOM 284 H01 LEU A 20 0.379 0.333 1.090 1.00 0.21 H +ATOM 285 H02 LEU A 20 1.621 -3.814 3.680 1.00 0.16 H +ATOM 286 H03 LEU A 20 -0.188 -1.545 4.014 1.00 0.18 H +ATOM 287 H04 LEU A 20 -1.067 -2.584 1.872 1.00 0.19 H +ATOM 288 H05 LEU A 20 1.898 -1.871 1.935 1.00 0.20 H +ATOM 289 H06 LEU A 20 -0.017 -2.491 -0.205 1.00 0.23 H +ATOM 290 H07 LEU A 20 1.153 0.134 2.680 1.00 0.21 H +ATOM 291 H08 LEU A 20 1.183 -3.378 5.210 1.00 0.16 H +ATOM 292 H09 LEU A 20 0.288 -3.739 1.964 1.00 0.19 H +ATOM 293 H10 LEU A 20 1.751 -2.296 -0.289 1.00 0.23 H +ATOM 294 H11 LEU A 20 -0.547 -0.338 2.453 1.00 0.21 H +ATOM 295 H12 LEU A 20 0.692 -0.869 -0.386 1.00 0.23 H +ATOM 296 N LYS A 21 -0.794 -4.716 4.530 1.00 0.16 N +ATOM 297 CA LYS A 21 -1.760 -5.680 5.122 1.00 0.16 C +ATOM 298 C LYS A 21 -2.011 -5.324 6.586 1.00 0.17 C +ATOM 299 O LYS A 21 -3.123 -5.365 7.059 1.00 0.19 O +ATOM 300 CB LYS A 21 -1.173 -7.088 5.035 1.00 0.17 C +ATOM 301 CG LYS A 21 -2.174 -8.100 5.593 1.00 0.29 C +ATOM 302 CD LYS A 21 -1.414 -9.229 6.292 1.00 0.68 C +ATOM 303 CE LYS A 21 -2.407 -10.255 6.837 1.00 1.26 C +ATOM 304 NZ LYS A 21 -1.733 -11.101 7.860 1.00 1.94 N1+ +ATOM 305 H01 LYS A 21 -1.502 -11.998 7.457 1.00 1.94 H +ATOM 306 H02 LYS A 21 0.121 -5.040 4.252 1.00 0.16 H +ATOM 307 H03 LYS A 21 -2.702 -5.636 4.576 1.00 0.16 H +ATOM 308 H04 LYS A 21 -0.251 -7.133 5.614 1.00 0.17 H +ATOM 309 H05 LYS A 21 -2.770 -8.511 4.778 1.00 0.29 H +ATOM 310 H06 LYS A 21 -0.828 -8.818 7.114 1.00 0.68 H +ATOM 311 H07 LYS A 21 -2.765 -10.884 6.022 1.00 1.26 H +ATOM 312 H08 LYS A 21 -2.351 -11.234 8.648 1.00 1.94 H +ATOM 313 H09 LYS A 21 -0.962 -7.327 3.993 1.00 0.17 H +ATOM 314 H10 LYS A 21 -2.833 -7.606 6.307 1.00 0.29 H +ATOM 315 H11 LYS A 21 -0.749 -9.714 5.577 1.00 0.68 H +ATOM 316 H12 LYS A 21 -3.252 -9.738 7.292 1.00 1.26 H +ATOM 317 H13 LYS A 21 -0.887 -10.644 8.170 1.00 1.94 H +ATOM 318 N LYS A 22 -0.991 -4.980 7.317 1.00 0.18 N +ATOM 319 CA LYS A 22 -1.204 -4.631 8.741 1.00 0.20 C +ATOM 320 C LYS A 22 -2.006 -3.335 8.817 1.00 0.23 C +ATOM 321 O LYS A 22 -3.074 -3.277 9.390 1.00 0.29 O +ATOM 322 CB LYS A 22 0.142 -4.442 9.432 1.00 0.22 C +ATOM 323 CG LYS A 22 0.148 -5.278 10.717 1.00 0.83 C +ATOM 324 CD LYS A 22 1.553 -5.339 11.302 1.00 1.43 C +ATOM 325 CE LYS A 22 1.494 -6.033 12.671 1.00 2.18 C +ATOM 326 NZ LYS A 22 2.827 -6.602 13.001 1.00 2.84 N1+ +ATOM 327 H01 LYS A 22 3.154 -7.165 12.229 1.00 2.84 H +ATOM 328 H02 LYS A 22 -0.064 -4.951 6.918 1.00 0.18 H +ATOM 329 H03 LYS A 22 -1.749 -5.433 9.239 1.00 0.20 H +ATOM 330 H04 LYS A 22 0.287 -3.390 9.676 1.00 0.22 H +ATOM 331 H05 LYS A 22 -0.192 -6.289 10.491 1.00 0.83 H +ATOM 332 H06 LYS A 22 1.945 -4.329 11.420 1.00 1.43 H +ATOM 333 H07 LYS A 22 0.755 -6.833 12.641 1.00 2.18 H +ATOM 334 H08 LYS A 22 2.753 -7.175 13.829 1.00 2.84 H +ATOM 335 H09 LYS A 22 0.949 -4.763 8.773 1.00 0.22 H +ATOM 336 H10 LYS A 22 -0.519 -4.814 11.444 1.00 0.83 H +ATOM 337 H11 LYS A 22 2.207 -5.899 10.633 1.00 1.43 H +ATOM 338 H12 LYS A 22 1.213 -5.306 13.433 1.00 2.18 H +ATOM 339 H13 LYS A 22 3.481 -5.851 13.169 1.00 2.84 H +ATOM 340 N GLU A 23 -1.495 -2.303 8.219 1.00 0.22 N +ATOM 341 CA GLU A 23 -2.195 -1.004 8.212 1.00 0.26 C +ATOM 342 C GLU A 23 -3.621 -1.224 7.716 1.00 0.24 C +ATOM 343 O GLU A 23 -4.587 -1.066 8.436 1.00 0.27 O +ATOM 344 CB GLU A 23 -1.450 -0.080 7.250 1.00 0.29 C +ATOM 345 CG GLU A 23 -0.006 0.098 7.725 1.00 0.35 C +ATOM 346 CD GLU A 23 0.032 1.057 8.914 1.00 1.53 C +ATOM 347 OE1 GLU A 23 -1.026 1.364 9.438 1.00 2.29 O +ATOM 348 OE2 GLU A 23 1.120 1.471 9.280 1.00 2.27 O1- +ATOM 349 H01 GLU A 23 0.596 0.504 6.912 1.00 0.35 H +ATOM 350 H02 GLU A 23 -0.604 -2.390 7.751 1.00 0.22 H +ATOM 351 H03 GLU A 23 -2.224 -0.564 9.209 1.00 0.26 H +ATOM 352 H04 GLU A 23 -1.945 0.890 7.221 1.00 0.29 H +ATOM 353 H05 GLU A 23 0.395 -0.869 8.029 1.00 0.35 H +ATOM 354 H06 GLU A 23 -1.451 -0.519 6.252 1.00 0.29 H +ATOM 355 N LEU A 24 -3.737 -1.599 6.480 1.00 0.23 N +ATOM 356 CA LEU A 24 -5.066 -1.859 5.871 1.00 0.23 C +ATOM 357 C LEU A 24 -5.767 -2.996 6.618 1.00 0.22 C +ATOM 358 O LEU A 24 -6.953 -3.209 6.467 1.00 0.24 O +ATOM 359 CB LEU A 24 -4.848 -2.277 4.418 1.00 0.21 C +ATOM 360 CG LEU A 24 -4.150 -1.150 3.658 1.00 0.25 C +ATOM 361 CD1 LEU A 24 -3.120 -1.750 2.701 1.00 0.20 C +ATOM 362 CD2 LEU A 24 -5.184 -0.352 2.862 1.00 0.40 C +ATOM 363 H01 LEU A 24 -5.486 -0.922 1.984 1.00 0.40 H +ATOM 364 H02 LEU A 24 -2.905 -1.717 5.919 1.00 0.23 H +ATOM 365 H03 LEU A 24 -5.684 -0.963 5.927 1.00 0.23 H +ATOM 366 H04 LEU A 24 -5.811 -2.487 3.952 1.00 0.21 H +ATOM 367 H05 LEU A 24 -3.650 -0.488 4.365 1.00 0.25 H +ATOM 368 H06 LEU A 24 -2.937 -1.055 1.881 1.00 0.20 H +ATOM 369 H07 LEU A 24 -4.748 0.597 2.548 1.00 0.40 H +ATOM 370 H08 LEU A 24 -4.226 -3.171 4.389 1.00 0.21 H +ATOM 371 H09 LEU A 24 -3.498 -2.691 2.303 1.00 0.20 H +ATOM 372 H10 LEU A 24 -6.056 -0.161 3.488 1.00 0.40 H +ATOM 373 H11 LEU A 24 -2.189 -1.931 3.238 1.00 0.20 H +ATOM 374 N ALA A 25 -5.043 -3.736 7.416 1.00 0.21 N +ATOM 375 CA ALA A 25 -5.667 -4.860 8.158 1.00 0.22 C +ATOM 376 C ALA A 25 -6.369 -5.796 7.170 1.00 0.21 C +ATOM 377 O ALA A 25 -7.501 -6.191 7.366 1.00 0.23 O +ATOM 378 CB ALA A 25 -6.670 -4.292 9.152 1.00 0.26 C +ATOM 379 H01 ALA A 25 -6.840 -3.237 8.935 1.00 0.26 H +ATOM 380 H02 ALA A 25 -4.058 -3.543 7.528 1.00 0.21 H +ATOM 381 H03 ALA A 25 -4.906 -5.427 8.695 1.00 0.22 H +ATOM 382 H04 ALA A 25 -6.279 -4.397 10.164 1.00 0.26 H +ATOM 383 H05 ALA A 25 -7.611 -4.836 9.069 1.00 0.26 H +ATOM 384 N LEU A 26 -5.693 -6.152 6.112 1.00 0.21 N +ATOM 385 CA LEU A 26 -6.293 -7.062 5.095 1.00 0.24 C +ATOM 386 C LEU A 26 -6.438 -8.468 5.690 1.00 0.28 C +ATOM 387 O LEU A 26 -5.795 -8.792 6.669 1.00 0.30 O +ATOM 388 CB LEU A 26 -5.371 -7.117 3.872 1.00 0.23 C +ATOM 389 CG LEU A 26 -4.954 -5.697 3.483 1.00 0.21 C +ATOM 390 CD1 LEU A 26 -3.954 -5.751 2.337 1.00 0.26 C +ATOM 391 CD2 LEU A 26 -6.187 -4.909 3.043 1.00 0.23 C +ATOM 392 H01 LEU A 26 -6.514 -5.261 2.065 1.00 0.23 H +ATOM 393 H02 LEU A 26 -4.753 -5.807 5.981 1.00 0.21 H +ATOM 394 H03 LEU A 26 -7.275 -6.692 4.801 1.00 0.24 H +ATOM 395 H04 LEU A 26 -5.898 -7.583 3.039 1.00 0.23 H +ATOM 396 H05 LEU A 26 -4.493 -5.208 4.341 1.00 0.21 H +ATOM 397 H06 LEU A 26 -3.792 -4.746 1.947 1.00 0.26 H +ATOM 398 H07 LEU A 26 -5.940 -3.849 2.984 1.00 0.23 H +ATOM 399 H08 LEU A 26 -4.484 -7.703 4.112 1.00 0.23 H +ATOM 400 H09 LEU A 26 -4.343 -6.390 1.544 1.00 0.26 H +ATOM 401 H10 LEU A 26 -6.988 -5.055 3.768 1.00 0.23 H +ATOM 402 H11 LEU A 26 -3.009 -6.156 2.699 1.00 0.26 H +ATOM 403 N PRO A 27 -7.280 -9.262 5.077 1.00 0.34 N +ATOM 404 CA PRO A 27 -7.526 -10.643 5.529 1.00 0.41 C +ATOM 405 C PRO A 27 -6.221 -11.438 5.555 1.00 0.39 C +ATOM 406 O PRO A 27 -5.165 -10.932 5.233 1.00 0.31 O +ATOM 407 CB PRO A 27 -8.489 -11.230 4.490 1.00 0.48 C +ATOM 408 CG PRO A 27 -8.880 -10.091 3.514 1.00 0.48 C +ATOM 409 CD PRO A 27 -8.054 -8.852 3.890 1.00 0.38 C +ATOM 410 H01 PRO A 27 -7.388 -8.572 3.074 1.00 0.38 H +ATOM 411 H02 PRO A 27 -7.936 -10.679 6.538 1.00 0.41 H +ATOM 412 H03 PRO A 27 -9.379 -11.618 4.985 1.00 0.48 H +ATOM 413 H04 PRO A 27 -9.944 -9.871 3.606 1.00 0.48 H +ATOM 414 H05 PRO A 27 -8.682 -7.983 4.088 1.00 0.38 H +ATOM 415 H06 PRO A 27 -8.015 -12.049 3.950 1.00 0.48 H +ATOM 416 H07 PRO A 27 -8.680 -10.385 2.484 1.00 0.48 H +ATOM 417 N GLU A 28 -6.289 -12.685 5.931 1.00 0.50 N +ATOM 418 CA GLU A 28 -5.058 -13.519 5.972 1.00 0.53 C +ATOM 419 C GLU A 28 -4.729 -13.997 4.558 1.00 0.49 C +ATOM 420 O GLU A 28 -3.622 -14.407 4.273 1.00 0.51 O +ATOM 421 CB GLU A 28 -5.295 -14.732 6.871 1.00 0.67 C +ATOM 422 CG GLU A 28 -5.557 -14.268 8.305 1.00 1.14 C +ATOM 423 CD GLU A 28 -5.237 -15.405 9.276 1.00 1.65 C +ATOM 424 OE1 GLU A 28 -4.380 -16.210 8.953 1.00 2.31 O +ATOM 425 OE2 GLU A 28 -5.856 -15.452 10.327 1.00 2.20 O1- +ATOM 426 H01 GLU A 28 -6.604 -13.984 8.410 1.00 1.14 H +ATOM 427 H02 GLU A 28 -7.178 -13.085 6.195 1.00 0.50 H +ATOM 428 H03 GLU A 28 -4.230 -12.930 6.365 1.00 0.53 H +ATOM 429 H04 GLU A 28 -4.415 -15.375 6.853 1.00 0.67 H +ATOM 430 H05 GLU A 28 -4.924 -13.410 8.530 1.00 1.14 H +ATOM 431 H06 GLU A 28 -6.160 -15.287 6.508 1.00 0.67 H +ATOM 432 N TYR A 29 -5.686 -13.952 3.671 1.00 0.47 N +ATOM 433 CA TYR A 29 -5.426 -14.409 2.279 1.00 0.44 C +ATOM 434 C TYR A 29 -5.020 -13.218 1.409 1.00 0.37 C +ATOM 435 O TYR A 29 -4.999 -13.312 0.198 1.00 0.38 O +ATOM 436 CB TYR A 29 -6.686 -15.061 1.704 1.00 0.51 C +ATOM 437 CG TYR A 29 -7.900 -14.250 2.087 1.00 0.66 C +ATOM 438 CD1 TYR A 29 -8.300 -13.171 1.290 1.00 1.29 C +ATOM 439 CD2 TYR A 29 -8.627 -14.579 3.237 1.00 1.53 C +ATOM 440 CE1 TYR A 29 -9.428 -12.421 1.643 1.00 1.43 C +ATOM 441 CE2 TYR A 29 -9.756 -13.829 3.590 1.00 1.75 C +ATOM 442 CZ TYR A 29 -10.156 -12.750 2.793 1.00 1.24 C +ATOM 443 H01 TYR A 29 -11.034 -12.166 3.068 1.00 1.24 H +ATOM 444 H02 TYR A 29 -6.600 -13.608 3.929 1.00 0.47 H +ATOM 445 H03 TYR A 29 -4.616 -15.138 2.289 1.00 0.44 H +ATOM 446 H04 TYR A 29 -6.785 -16.071 2.101 1.00 0.51 H +ATOM 447 H05 TYR A 29 -7.733 -12.915 0.395 1.00 1.29 H +ATOM 448 H06 TYR A 29 -8.315 -15.419 3.858 1.00 1.53 H +ATOM 449 H07 TYR A 29 -9.740 -11.581 1.023 1.00 1.43 H +ATOM 450 H08 TYR A 29 -10.323 -14.085 4.485 1.00 1.75 H +ATOM 451 H09 TYR A 29 -6.607 -15.101 0.618 1.00 0.51 H +ATOM 452 N TYR A 30 -4.694 -12.103 2.017 1.00 0.32 N +ATOM 453 CA TYR A 30 -4.275 -10.903 1.222 1.00 0.28 C +ATOM 454 C TYR A 30 -3.419 -11.366 0.035 1.00 0.32 C +ATOM 455 O TYR A 30 -2.281 -11.759 0.193 1.00 0.38 O +ATOM 456 CB TYR A 30 -3.462 -9.958 2.121 1.00 0.29 C +ATOM 457 CG TYR A 30 -3.006 -8.741 1.339 1.00 0.20 C +ATOM 458 CD1 TYR A 30 -3.750 -8.286 0.243 1.00 0.47 C +ATOM 459 CD2 TYR A 30 -1.832 -8.068 1.715 1.00 0.48 C +ATOM 460 CE1 TYR A 30 -3.319 -7.163 -0.477 1.00 0.49 C +ATOM 461 CE2 TYR A 30 -1.400 -6.943 0.995 1.00 0.49 C +ATOM 462 CZ TYR A 30 -2.145 -6.493 -0.102 1.00 0.25 C +ATOM 463 H01 TYR A 30 -1.812 -5.621 -0.665 1.00 0.25 H +ATOM 464 H02 TYR A 30 -4.725 -12.052 3.025 1.00 0.32 H +ATOM 465 H03 TYR A 30 -5.152 -10.373 0.850 1.00 0.28 H +ATOM 466 H04 TYR A 30 -2.589 -10.488 2.503 1.00 0.29 H +ATOM 467 H05 TYR A 30 -4.663 -8.804 -0.050 1.00 0.47 H +ATOM 468 H06 TYR A 30 -1.254 -8.421 2.569 1.00 0.48 H +ATOM 469 H07 TYR A 30 -3.898 -6.810 -1.330 1.00 0.49 H +ATOM 470 H08 TYR A 30 -0.489 -6.422 1.289 1.00 0.49 H +ATOM 471 H09 TYR A 30 -4.092 -9.629 2.947 1.00 0.29 H +ATOM 472 N GLY A 31 -3.974 -11.339 -1.151 1.00 0.39 N +ATOM 473 CA GLY A 31 -3.215 -11.796 -2.357 1.00 0.51 C +ATOM 474 C GLY A 31 -2.004 -10.892 -2.611 1.00 0.58 C +ATOM 475 O GLY A 31 -1.214 -11.146 -3.495 1.00 1.36 O +ATOM 476 H01 GLY A 31 -3.872 -11.767 -3.226 1.00 0.51 H +ATOM 477 H02 GLY A 31 -4.922 -11.007 -1.253 1.00 0.39 H +ATOM 478 H03 GLY A 31 -2.862 -12.813 -2.184 1.00 0.51 H +ATOM 479 N GLU A 32 -1.870 -9.835 -1.853 1.00 0.56 N +ATOM 480 CA GLU A 32 -0.726 -8.877 -2.011 1.00 0.54 C +ATOM 481 C GLU A 32 -0.533 -8.420 -3.470 1.00 0.54 C +ATOM 482 O GLU A 32 0.377 -7.671 -3.760 1.00 0.59 O +ATOM 483 CB GLU A 32 0.582 -9.491 -1.474 1.00 0.66 C +ATOM 484 CG GLU A 32 0.741 -10.947 -1.915 1.00 1.51 C +ATOM 485 CD GLU A 32 2.052 -11.506 -1.358 1.00 1.87 C +ATOM 486 OE1 GLU A 32 3.044 -10.799 -1.410 1.00 2.36 O +ATOM 487 OE2 GLU A 32 2.040 -12.632 -0.890 1.00 2.37 O1- +ATOM 488 H01 GLU A 32 0.756 -10.998 -3.004 1.00 1.51 H +ATOM 489 H02 GLU A 32 -2.560 -9.657 -1.137 1.00 0.56 H +ATOM 490 H03 GLU A 32 -0.978 -7.994 -1.423 1.00 0.54 H +ATOM 491 H04 GLU A 32 0.573 -9.449 -0.385 1.00 0.66 H +ATOM 492 H05 GLU A 32 -0.095 -11.535 -1.537 1.00 1.51 H +ATOM 493 H06 GLU A 32 1.418 -8.919 -1.876 1.00 0.66 H +ATOM 494 N ASN A 33 -1.373 -8.817 -4.389 1.00 0.51 N +ATOM 495 CA ASN A 33 -1.203 -8.335 -5.792 1.00 0.53 C +ATOM 496 C ASN A 33 -1.891 -6.977 -5.927 1.00 0.50 C +ATOM 497 O ASN A 33 -2.423 -6.444 -4.974 1.00 0.56 O +ATOM 498 CB ASN A 33 -1.811 -9.321 -6.806 1.00 0.54 C +ATOM 499 CG ASN A 33 -2.420 -10.533 -6.096 1.00 0.62 C +ATOM 500 ND2 ASN A 33 -3.703 -10.559 -5.864 1.00 0.82 N +ATOM 501 OD1 ASN A 33 -1.721 -11.465 -5.752 1.00 1.57 O +ATOM 502 H01 ASN A 33 -4.284 -9.784 -6.151 1.00 0.82 H +ATOM 503 H02 ASN A 33 -2.129 -9.443 -4.153 1.00 0.51 H +ATOM 504 H03 ASN A 33 -0.137 -8.252 -6.006 1.00 0.53 H +ATOM 505 H04 ASN A 33 -1.030 -9.661 -7.486 1.00 0.54 H +ATOM 506 H05 ASN A 33 -4.116 -11.354 -5.397 1.00 0.82 H +ATOM 507 H06 ASN A 33 -2.600 -8.809 -7.357 1.00 0.54 H +ATOM 508 N LEU A 34 -1.918 -6.429 -7.107 1.00 0.48 N +ATOM 509 CA LEU A 34 -2.609 -5.125 -7.305 1.00 0.47 C +ATOM 510 C LEU A 34 -4.108 -5.392 -7.331 1.00 0.40 C +ATOM 511 O LEU A 34 -4.911 -4.621 -6.852 1.00 0.37 O +ATOM 512 CB LEU A 34 -2.204 -4.539 -8.650 1.00 0.55 C +ATOM 513 CG LEU A 34 -0.749 -4.072 -8.606 1.00 0.64 C +ATOM 514 CD1 LEU A 34 -0.358 -3.503 -9.971 1.00 0.82 C +ATOM 515 CD2 LEU A 34 -0.590 -2.986 -7.539 1.00 0.61 C +ATOM 516 H01 LEU A 34 -0.213 -3.432 -6.619 1.00 0.61 H +ATOM 517 H02 LEU A 34 -1.471 -6.888 -7.888 1.00 0.48 H +ATOM 518 H03 LEU A 34 -2.345 -4.432 -6.506 1.00 0.47 H +ATOM 519 H04 LEU A 34 -2.848 -3.691 -8.883 1.00 0.55 H +ATOM 520 H05 LEU A 34 -0.104 -4.916 -8.362 1.00 0.64 H +ATOM 521 H06 LEU A 34 -0.451 -2.417 -9.953 1.00 0.82 H +ATOM 522 H07 LEU A 34 -1.556 -2.519 -7.348 1.00 0.61 H +ATOM 523 H08 LEU A 34 -2.308 -5.306 -9.418 1.00 0.55 H +ATOM 524 H09 LEU A 34 -1.016 -3.912 -10.738 1.00 0.82 H +ATOM 525 H10 LEU A 34 0.114 -2.232 -7.891 1.00 0.61 H +ATOM 526 H11 LEU A 34 0.673 -3.775 -10.196 1.00 0.82 H +ATOM 527 N ASP A 35 -4.469 -6.494 -7.911 1.00 0.39 N +ATOM 528 CA ASP A 35 -5.897 -6.886 -8.018 1.00 0.36 C +ATOM 529 C ASP A 35 -6.467 -7.173 -6.632 1.00 0.30 C +ATOM 530 O ASP A 35 -7.614 -6.894 -6.351 1.00 0.28 O +ATOM 531 CB ASP A 35 -5.975 -8.167 -8.833 1.00 0.38 C +ATOM 532 CG ASP A 35 -5.683 -7.865 -10.303 1.00 0.43 C +ATOM 533 OD1 ASP A 35 -6.344 -7.000 -10.853 1.00 1.24 O +ATOM 534 OD2 ASP A 35 -4.803 -8.506 -10.856 1.00 1.06 O1- +ATOM 535 H01 ASP A 35 -6.974 -8.594 -8.742 1.00 0.38 H +ATOM 536 H02 ASP A 35 -3.761 -7.101 -8.300 1.00 0.39 H +ATOM 537 H03 ASP A 35 -6.462 -6.079 -8.485 1.00 0.36 H +ATOM 538 H04 ASP A 35 -5.237 -8.877 -8.459 1.00 0.38 H +ATOM 539 N ALA A 36 -5.676 -7.742 -5.769 1.00 0.29 N +ATOM 540 CA ALA A 36 -6.180 -8.058 -4.401 1.00 0.25 C +ATOM 541 C ALA A 36 -6.124 -6.799 -3.563 1.00 0.22 C +ATOM 542 O ALA A 36 -7.111 -6.353 -3.016 1.00 0.22 O +ATOM 543 CB ALA A 36 -5.310 -9.125 -3.749 1.00 0.29 C +ATOM 544 H01 ALA A 36 -5.058 -9.888 -4.485 1.00 0.29 H +ATOM 545 H02 ALA A 36 -4.725 -7.969 -6.024 1.00 0.29 H +ATOM 546 H03 ALA A 36 -7.203 -8.429 -4.471 1.00 0.25 H +ATOM 547 H04 ALA A 36 -5.853 -9.582 -2.922 1.00 0.29 H +ATOM 548 H05 ALA A 36 -4.395 -8.667 -3.373 1.00 0.29 H +ATOM 549 N LEU A 37 -4.967 -6.217 -3.477 1.00 0.21 N +ATOM 550 CA LEU A 37 -4.820 -4.966 -2.697 1.00 0.19 C +ATOM 551 C LEU A 37 -5.987 -4.058 -3.064 1.00 0.16 C +ATOM 552 O LEU A 37 -6.706 -3.539 -2.224 1.00 0.16 O +ATOM 553 CB LEU A 37 -3.502 -4.299 -3.095 1.00 0.21 C +ATOM 554 CG LEU A 37 -3.539 -2.815 -2.724 1.00 0.20 C +ATOM 555 CD1 LEU A 37 -3.557 -2.667 -1.201 1.00 0.22 C +ATOM 556 CD2 LEU A 37 -2.302 -2.115 -3.290 1.00 0.24 C +ATOM 557 H01 LEU A 37 -2.050 -1.258 -2.665 1.00 0.24 H +ATOM 558 H02 LEU A 37 -4.165 -6.618 -3.943 1.00 0.21 H +ATOM 559 H03 LEU A 37 -4.816 -5.162 -1.625 1.00 0.19 H +ATOM 560 H04 LEU A 37 -3.355 -4.400 -4.170 1.00 0.21 H +ATOM 561 H05 LEU A 37 -4.437 -2.360 -3.143 1.00 0.20 H +ATOM 562 H06 LEU A 37 -2.561 -2.397 -0.850 1.00 0.22 H +ATOM 563 H07 LEU A 37 -2.508 -1.776 -4.305 1.00 0.24 H +ATOM 564 H08 LEU A 37 -2.681 -4.782 -2.565 1.00 0.21 H +ATOM 565 H09 LEU A 37 -3.859 -3.611 -0.747 1.00 0.22 H +ATOM 566 H10 LEU A 37 -1.465 -2.813 -3.303 1.00 0.24 H +ATOM 567 H11 LEU A 37 -4.265 -1.887 -0.921 1.00 0.22 H +ATOM 568 N TRP A 38 -6.173 -3.884 -4.333 1.00 0.17 N +ATOM 569 CA TRP A 38 -7.277 -3.046 -4.821 1.00 0.16 C +ATOM 570 C TRP A 38 -8.577 -3.613 -4.303 1.00 0.16 C +ATOM 571 O TRP A 38 -9.345 -2.951 -3.643 1.00 0.16 O +ATOM 572 CB TRP A 38 -7.315 -3.093 -6.341 1.00 0.18 C +ATOM 573 CG TRP A 38 -8.456 -2.267 -6.801 1.00 0.18 C +ATOM 574 CD1 TRP A 38 -9.708 -2.718 -6.963 1.00 0.21 C +ATOM 575 CD2 TRP A 38 -8.476 -0.860 -7.128 1.00 0.18 C +ATOM 576 CE2 TRP A 38 -9.785 -0.502 -7.508 1.00 0.20 C +ATOM 577 CE3 TRP A 38 -7.487 0.125 -7.138 1.00 0.17 C +ATOM 578 NE1 TRP A 38 -10.508 -1.672 -7.389 1.00 0.23 N +ATOM 579 CZ2 TRP A 38 -10.099 0.802 -7.885 1.00 0.22 C +ATOM 580 CZ3 TRP A 38 -7.785 1.430 -7.507 1.00 0.19 C +ATOM 581 H01 TRP A 38 -8.802 1.696 -7.794 1.00 0.19 H +ATOM 582 H02 TRP A 38 -5.553 -4.329 -4.995 1.00 0.17 H +ATOM 583 H03 TRP A 38 -7.136 -2.020 -4.481 1.00 0.16 H +ATOM 584 H04 TRP A 38 -7.445 -4.122 -6.676 1.00 0.18 H +ATOM 585 H05 TRP A 38 -10.041 -3.741 -6.788 1.00 0.21 H +ATOM 586 H06 TRP A 38 -6.467 -0.134 -6.852 1.00 0.17 H +ATOM 587 H07 TRP A 38 -11.495 -1.754 -7.587 1.00 0.23 H +ATOM 588 H08 TRP A 38 -10.247 0.843 -8.964 1.00 0.22 H +ATOM 589 H09 TRP A 38 -7.002 2.188 -7.510 1.00 0.19 H +ATOM 590 H10 TRP A 38 -6.382 -2.709 -6.753 1.00 0.18 H +ATOM 591 H11 TRP A 38 -9.283 1.468 -7.604 1.00 0.22 H +ATOM 592 H12 TRP A 38 -11.013 1.115 -7.381 1.00 0.22 H +ATOM 593 N ASP A 39 -8.815 -4.850 -4.599 1.00 0.17 N +ATOM 594 CA ASP A 39 -10.061 -5.500 -4.130 1.00 0.18 C +ATOM 595 C ASP A 39 -10.283 -5.117 -2.672 1.00 0.18 C +ATOM 596 O ASP A 39 -11.394 -5.091 -2.182 1.00 0.21 O +ATOM 597 CB ASP A 39 -9.927 -7.017 -4.254 1.00 0.21 C +ATOM 598 CG ASP A 39 -10.613 -7.488 -5.537 1.00 0.29 C +ATOM 599 OD1 ASP A 39 -10.045 -7.286 -6.598 1.00 1.13 O +ATOM 600 OD2 ASP A 39 -11.695 -8.044 -5.438 1.00 1.06 O1- +ATOM 601 H01 ASP A 39 -10.396 -7.495 -3.394 1.00 0.21 H +ATOM 602 H02 ASP A 39 -8.150 -5.373 -5.151 1.00 0.17 H +ATOM 603 H03 ASP A 39 -10.907 -5.173 -4.734 1.00 0.18 H +ATOM 604 H04 ASP A 39 -8.871 -7.286 -4.288 1.00 0.21 H +ATOM 605 N CYS A 40 -9.222 -4.807 -1.977 1.00 0.17 N +ATOM 606 CA CYS A 40 -9.354 -4.412 -0.556 1.00 0.19 C +ATOM 607 C CYS A 40 -9.797 -2.948 -0.466 1.00 0.19 C +ATOM 608 O CYS A 40 -10.745 -2.623 0.218 1.00 0.23 O +ATOM 609 CB CYS A 40 -8.001 -4.580 0.132 1.00 0.21 C +ATOM 610 SG CYS A 40 -7.334 -6.221 -0.239 1.00 0.58 S +ATOM 611 H01 CYS A 40 -7.205 -6.362 -1.565 1.00 0.58 H +ATOM 612 H02 CYS A 40 -8.310 -4.837 -2.409 1.00 0.17 H +ATOM 613 H03 CYS A 40 -10.099 -5.040 -0.067 1.00 0.19 H +ATOM 614 H04 CYS A 40 -8.125 -4.473 1.210 1.00 0.21 H +ATOM 615 H05 CYS A 40 -7.312 -3.818 -0.232 1.00 0.21 H +ATOM 616 N LEU A 41 -9.117 -2.057 -1.142 1.00 0.17 N +ATOM 617 CA LEU A 41 -9.497 -0.625 -1.076 1.00 0.18 C +ATOM 618 C LEU A 41 -10.943 -0.424 -1.548 1.00 0.21 C +ATOM 619 O LEU A 41 -11.729 0.247 -0.908 1.00 0.45 O +ATOM 620 CB LEU A 41 -8.562 0.173 -1.981 1.00 0.17 C +ATOM 621 CG LEU A 41 -7.117 -0.285 -1.776 1.00 0.19 C +ATOM 622 CD1 LEU A 41 -6.189 0.625 -2.567 1.00 0.18 C +ATOM 623 CD2 LEU A 41 -6.760 -0.219 -0.289 1.00 0.31 C +ATOM 624 H01 LEU A 41 -6.460 -1.208 0.057 1.00 0.31 H +ATOM 625 H02 LEU A 41 -8.333 -2.345 -1.709 1.00 0.17 H +ATOM 626 H03 LEU A 41 -9.417 -0.284 -0.044 1.00 0.18 H +ATOM 627 H04 LEU A 41 -11.272 -0.892 -2.476 1.00 0.21 H +ATOM 628 H05 LEU A 41 -8.643 1.233 -1.740 1.00 0.17 H +ATOM 629 H06 LEU A 41 -7.006 -1.312 -2.123 1.00 0.19 H +ATOM 630 H07 LEU A 41 -6.025 1.549 -2.012 1.00 0.18 H +ATOM 631 H08 LEU A 41 -7.627 0.118 0.279 1.00 0.31 H +ATOM 632 H09 LEU A 41 -8.845 0.008 -3.021 1.00 0.17 H +ATOM 633 H10 LEU A 41 -6.641 0.856 -3.532 1.00 0.18 H +ATOM 634 H11 LEU A 41 -5.937 0.481 -0.144 1.00 0.31 H +ATOM 635 H12 LEU A 41 -5.235 0.122 -2.724 1.00 0.18 H +ATOM 636 N GLY A 43 -13.262 -2.363 -1.452 1.00 0.27 N +ATOM 637 CA GLY A 43 -14.258 -3.210 -0.729 1.00 0.31 C +ATOM 638 C GLY A 43 -13.627 -3.900 0.484 1.00 0.27 C +ATOM 639 O GLY A 43 -13.610 -5.112 0.574 1.00 0.32 O +ATOM 640 H01 GLY A 43 -14.641 -3.969 -1.411 1.00 0.31 H +ATOM 641 H02 GLY A 43 -13.086 -1.522 -0.921 1.00 0.27 H +ATOM 642 H03 GLY A 43 -15.065 -2.567 -0.377 1.00 0.31 H +ATOM 643 H04 GLY A 43 -13.625 -2.118 -2.362 1.00 0.27 H +ATOM 644 N TRP A 44 -13.125 -3.148 1.425 1.00 0.25 N +ATOM 645 CA TRP A 44 -12.519 -3.775 2.630 1.00 0.23 C +ATOM 646 C TRP A 44 -11.944 -2.689 3.540 1.00 0.23 C +ATOM 647 O TRP A 44 -12.415 -2.466 4.637 1.00 0.27 O +ATOM 648 CB TRP A 44 -11.402 -4.721 2.201 1.00 0.24 C +ATOM 649 CG TRP A 44 -10.808 -5.362 3.411 1.00 0.26 C +ATOM 650 CD1 TRP A 44 -9.735 -4.894 4.085 1.00 0.27 C +ATOM 651 CD2 TRP A 44 -11.233 -6.571 4.106 1.00 0.30 C +ATOM 652 CE2 TRP A 44 -10.366 -6.788 5.202 1.00 0.34 C +ATOM 653 CE3 TRP A 44 -12.274 -7.493 3.891 1.00 0.35 C +ATOM 654 NE1 TRP A 44 -9.470 -5.739 5.146 1.00 0.31 N +ATOM 655 CZ2 TRP A 44 -10.527 -7.879 6.058 1.00 0.41 C +ATOM 656 CZ3 TRP A 44 -12.439 -8.592 4.750 1.00 0.43 C +ATOM 657 H01 TRP A 44 -11.758 -8.735 5.589 1.00 0.43 H +ATOM 658 H02 TRP A 44 -13.148 -2.142 1.335 1.00 0.25 H +ATOM 659 H03 TRP A 44 -13.283 -4.333 3.171 1.00 0.23 H +ATOM 660 H04 TRP A 44 -10.633 -4.160 1.670 1.00 0.24 H +ATOM 661 H05 TRP A 44 -9.170 -3.996 3.833 1.00 0.27 H +ATOM 662 H06 TRP A 44 -12.957 -7.354 3.053 1.00 0.35 H +ATOM 663 H07 TRP A 44 -8.713 -5.605 5.801 1.00 0.31 H +ATOM 664 H08 TRP A 44 -10.313 -7.573 7.082 1.00 0.41 H +ATOM 665 H09 TRP A 44 -13.248 -9.302 4.577 1.00 0.43 H +ATOM 666 H10 TRP A 44 -11.807 -5.489 1.542 1.00 0.24 H +ATOM 667 H11 TRP A 44 -9.842 -8.675 5.766 1.00 0.41 H +ATOM 668 H12 TRP A 44 -11.553 -8.241 5.995 1.00 0.41 H +ATOM 669 N VAL A 45 -10.925 -2.016 3.089 1.00 0.25 N +ATOM 670 CA VAL A 45 -10.304 -0.949 3.912 1.00 0.26 C +ATOM 671 C VAL A 45 -11.350 0.112 4.253 1.00 0.25 C +ATOM 672 O VAL A 45 -12.264 0.362 3.493 1.00 0.37 O +ATOM 673 CB VAL A 45 -9.165 -0.300 3.125 1.00 0.30 C +ATOM 674 CG1 VAL A 45 -8.436 0.706 4.017 1.00 0.42 C +ATOM 675 CG2 VAL A 45 -8.181 -1.377 2.661 1.00 0.28 C +ATOM 676 H01 VAL A 45 -7.977 -1.250 1.598 1.00 0.28 H +ATOM 677 H02 VAL A 45 -10.554 -2.222 2.172 1.00 0.25 H +ATOM 678 H03 VAL A 45 -9.915 -1.384 4.833 1.00 0.26 H +ATOM 679 H04 VAL A 45 -9.575 0.214 2.256 1.00 0.30 H +ATOM 680 H05 VAL A 45 -8.188 0.236 4.969 1.00 0.42 H +ATOM 681 H06 VAL A 45 -8.613 -2.363 2.833 1.00 0.28 H +ATOM 682 H07 VAL A 45 -9.079 1.568 4.194 1.00 0.42 H +ATOM 683 H08 VAL A 45 -7.251 -1.285 3.222 1.00 0.28 H +ATOM 684 H09 VAL A 45 -7.520 1.031 3.524 1.00 0.42 H +ATOM 685 N GLU A 46 -11.215 0.751 5.382 1.00 0.21 N +ATOM 686 CA GLU A 46 -12.197 1.808 5.755 1.00 0.23 C +ATOM 687 C GLU A 46 -11.566 3.177 5.505 1.00 0.22 C +ATOM 688 O GLU A 46 -10.440 3.435 5.880 1.00 0.22 O +ATOM 689 CB GLU A 46 -12.600 1.688 7.231 1.00 0.30 C +ATOM 690 CG GLU A 46 -11.576 0.848 7.993 1.00 1.31 C +ATOM 691 CD GLU A 46 -12.107 0.545 9.395 1.00 1.80 C +ATOM 692 OE1 GLU A 46 -13.089 -0.173 9.493 1.00 2.43 O +ATOM 693 OE2 GLU A 46 -11.524 1.036 10.347 1.00 2.28 O1- +ATOM 694 H01 GLU A 46 -10.638 1.399 8.070 1.00 1.31 H +ATOM 695 H02 GLU A 46 -10.448 0.530 6.001 1.00 0.21 H +ATOM 696 H03 GLU A 46 -13.094 1.688 5.148 1.00 0.23 H +ATOM 697 H04 GLU A 46 -13.579 1.213 7.300 1.00 0.30 H +ATOM 698 H05 GLU A 46 -11.404 -0.087 7.460 1.00 1.31 H +ATOM 699 H06 GLU A 46 -12.638 2.685 7.670 1.00 0.30 H +ATOM 700 N TYR A 47 -12.285 4.047 4.861 1.00 0.22 N +ATOM 701 CA TYR A 47 -11.744 5.402 4.559 1.00 0.22 C +ATOM 702 C TYR A 47 -12.564 6.446 5.329 1.00 0.26 C +ATOM 703 O TYR A 47 -13.586 6.110 5.892 1.00 0.29 O +ATOM 704 CB TYR A 47 -11.851 5.623 3.045 1.00 0.24 C +ATOM 705 CG TYR A 47 -10.868 4.720 2.323 1.00 0.24 C +ATOM 706 CD1 TYR A 47 -9.830 4.081 3.021 1.00 1.25 C +ATOM 707 CD2 TYR A 47 -10.994 4.520 0.945 1.00 1.21 C +ATOM 708 CE1 TYR A 47 -8.935 3.251 2.342 1.00 1.27 C +ATOM 709 CE2 TYR A 47 -10.094 3.692 0.272 1.00 1.20 C +ATOM 710 CZ TYR A 47 -9.067 3.058 0.970 1.00 0.29 C +ATOM 711 H01 TYR A 47 -8.367 2.411 0.441 1.00 0.29 H +ATOM 712 H02 TYR A 47 -13.218 3.803 4.563 1.00 0.22 H +ATOM 713 H03 TYR A 47 -10.701 5.494 4.864 1.00 0.22 H +ATOM 714 H04 TYR A 47 -11.625 6.664 2.814 1.00 0.24 H +ATOM 715 H05 TYR A 47 -9.723 4.233 4.095 1.00 1.25 H +ATOM 716 H06 TYR A 47 -11.797 5.012 0.395 1.00 1.21 H +ATOM 717 H07 TYR A 47 -8.133 2.754 2.887 1.00 1.27 H +ATOM 718 H08 TYR A 47 -10.194 3.541 -0.803 1.00 1.20 H +ATOM 719 H09 TYR A 47 -12.864 5.387 2.718 1.00 0.24 H +ATOM 720 N PRO A 48 -12.102 7.682 5.359 1.00 0.27 N +ATOM 721 CA PRO A 48 -10.858 8.134 4.685 1.00 0.25 C +ATOM 722 C PRO A 48 -9.620 7.409 5.219 1.00 0.22 C +ATOM 723 O PRO A 48 -9.455 7.234 6.406 1.00 0.30 O +ATOM 724 CB PRO A 48 -10.761 9.631 5.010 1.00 0.28 C +ATOM 725 CG PRO A 48 -11.970 10.004 5.902 1.00 0.33 C +ATOM 726 CD PRO A 48 -12.815 8.738 6.097 1.00 0.32 C +ATOM 727 H01 PRO A 48 -12.887 8.485 7.155 1.00 0.32 H +ATOM 728 H02 PRO A 48 -10.894 7.926 3.616 1.00 0.25 H +ATOM 729 H03 PRO A 48 -10.786 10.213 4.089 1.00 0.28 H +ATOM 730 H04 PRO A 48 -12.565 10.777 5.417 1.00 0.33 H +ATOM 731 H05 PRO A 48 -13.835 8.869 5.737 1.00 0.32 H +ATOM 732 H06 PRO A 48 -9.827 9.847 5.528 1.00 0.28 H +ATOM 733 H07 PRO A 48 -11.630 10.387 6.864 1.00 0.33 H +ATOM 734 N LEU A 49 -8.744 7.000 4.338 1.00 0.20 N +ATOM 735 CA LEU A 49 -7.502 6.298 4.775 1.00 0.19 C +ATOM 736 C LEU A 49 -6.301 7.182 4.462 1.00 0.19 C +ATOM 737 O LEU A 49 -6.335 7.998 3.567 1.00 0.20 O +ATOM 738 CB LEU A 49 -7.362 4.977 3.994 1.00 0.18 C +ATOM 739 CG LEU A 49 -5.885 4.560 3.861 1.00 0.17 C +ATOM 740 CD1 LEU A 49 -5.350 4.066 5.209 1.00 0.20 C +ATOM 741 CD2 LEU A 49 -5.759 3.447 2.816 1.00 0.16 C +ATOM 742 H01 LEU A 49 -6.112 3.812 1.851 1.00 0.16 H +ATOM 743 H02 LEU A 49 -8.909 7.161 3.355 1.00 0.20 H +ATOM 744 H03 LEU A 49 -7.552 6.092 5.844 1.00 0.19 H +ATOM 745 H04 LEU A 49 -7.787 5.106 2.998 1.00 0.18 H +ATOM 746 H05 LEU A 49 -5.300 5.424 3.546 1.00 0.17 H +ATOM 747 H06 LEU A 49 -5.089 3.011 5.132 1.00 0.20 H +ATOM 748 H07 LEU A 49 -6.359 2.590 3.123 1.00 0.16 H +ATOM 749 H08 LEU A 49 -7.892 4.197 4.540 1.00 0.18 H +ATOM 750 H09 LEU A 49 -6.115 4.197 5.974 1.00 0.20 H +ATOM 751 H10 LEU A 49 -4.715 3.146 2.730 1.00 0.16 H +ATOM 752 H11 LEU A 49 -4.464 4.640 5.480 1.00 0.20 H +ATOM 753 N VAL A 50 -5.222 6.985 5.157 1.00 0.21 N +ATOM 754 CA VAL A 50 -4.003 7.770 4.857 1.00 0.22 C +ATOM 755 C VAL A 50 -2.919 6.786 4.408 1.00 0.20 C +ATOM 756 O VAL A 50 -2.748 5.736 4.987 1.00 0.21 O +ATOM 757 CB VAL A 50 -3.555 8.555 6.114 1.00 0.26 C +ATOM 758 CG1 VAL A 50 -2.135 8.158 6.542 1.00 0.26 C +ATOM 759 CG2 VAL A 50 -3.567 10.051 5.802 1.00 0.29 C +ATOM 760 H01 VAL A 50 -4.399 10.277 5.135 1.00 0.29 H +ATOM 761 H02 VAL A 50 -5.214 6.300 5.899 1.00 0.21 H +ATOM 762 H03 VAL A 50 -4.193 8.498 4.068 1.00 0.22 H +ATOM 763 H04 VAL A 50 -4.245 8.321 6.925 1.00 0.26 H +ATOM 764 H05 VAL A 50 -1.761 7.376 5.882 1.00 0.26 H +ATOM 765 H06 VAL A 50 -2.629 10.330 5.321 1.00 0.29 H +ATOM 766 H07 VAL A 50 -2.154 7.790 7.568 1.00 0.26 H +ATOM 767 H08 VAL A 50 -3.681 10.614 6.728 1.00 0.29 H +ATOM 768 H09 VAL A 50 -1.481 9.028 6.480 1.00 0.26 H +ATOM 769 N LEU A 51 -2.167 7.122 3.409 1.00 0.19 N +ATOM 770 CA LEU A 51 -1.081 6.210 2.976 1.00 0.18 C +ATOM 771 C LEU A 51 0.228 6.969 3.109 1.00 0.18 C +ATOM 772 O LEU A 51 0.745 7.517 2.155 1.00 0.20 O +ATOM 773 CB LEU A 51 -1.267 5.748 1.523 1.00 0.17 C +ATOM 774 CG LEU A 51 -0.106 4.823 1.149 1.00 0.19 C +ATOM 775 CD1 LEU A 51 -0.195 3.543 1.973 1.00 0.21 C +ATOM 776 CD2 LEU A 51 -0.185 4.451 -0.328 1.00 0.18 C +ATOM 777 H01 LEU A 51 -0.901 3.640 -0.461 1.00 0.18 H +ATOM 778 H02 LEU A 51 -2.319 7.998 2.929 1.00 0.19 H +ATOM 779 H03 LEU A 51 -1.090 5.315 3.599 1.00 0.18 H +ATOM 780 H04 LEU A 51 -1.275 6.614 0.860 1.00 0.17 H +ATOM 781 H05 LEU A 51 0.832 5.341 1.348 1.00 0.19 H +ATOM 782 H06 LEU A 51 0.201 3.725 2.972 1.00 0.21 H +ATOM 783 H07 LEU A 51 0.797 4.130 -0.676 1.00 0.18 H +ATOM 784 H08 LEU A 51 -2.213 5.216 1.421 1.00 0.17 H +ATOM 785 H09 LEU A 51 0.385 2.757 1.489 1.00 0.21 H +ATOM 786 H10 LEU A 51 -0.508 5.318 -0.904 1.00 0.18 H +ATOM 787 H11 LEU A 51 -1.237 3.231 2.047 1.00 0.21 H +ATOM 788 N GLU A 52 0.760 7.014 4.296 1.00 0.19 N +ATOM 789 CA GLU A 52 2.031 7.743 4.505 1.00 0.21 C +ATOM 790 C GLU A 52 3.158 6.861 3.988 1.00 0.19 C +ATOM 791 O GLU A 52 3.789 6.122 4.721 1.00 0.19 O +ATOM 792 CB GLU A 52 2.213 8.030 5.996 1.00 0.24 C +ATOM 793 CG GLU A 52 3.642 8.508 6.256 1.00 0.30 C +ATOM 794 CD GLU A 52 3.650 9.471 7.444 1.00 0.64 C +ATOM 795 OE1 GLU A 52 2.717 9.420 8.229 1.00 1.28 O +ATOM 796 OE2 GLU A 52 4.588 10.244 7.550 1.00 1.44 O1- +ATOM 797 H01 GLU A 52 4.022 9.019 5.371 1.00 0.30 H +ATOM 798 H02 GLU A 52 0.307 6.553 5.072 1.00 0.19 H +ATOM 799 H03 GLU A 52 2.030 8.695 3.974 1.00 0.21 H +ATOM 800 H04 GLU A 52 2.024 7.121 6.567 1.00 0.24 H +ATOM 801 H05 GLU A 52 4.276 7.650 6.480 1.00 0.30 H +ATOM 802 H06 GLU A 52 1.511 8.805 6.303 1.00 0.24 H +ATOM 803 N TRP A 53 3.385 6.915 2.708 1.00 0.20 N +ATOM 804 CA TRP A 53 4.436 6.072 2.099 1.00 0.20 C +ATOM 805 C TRP A 53 5.813 6.694 2.321 1.00 0.24 C +ATOM 806 O TRP A 53 6.142 7.720 1.760 1.00 0.38 O +ATOM 807 CB TRP A 53 4.175 5.945 0.603 1.00 0.24 C +ATOM 808 CG TRP A 53 4.807 4.689 0.123 1.00 0.23 C +ATOM 809 CD1 TRP A 53 6.084 4.326 0.376 1.00 0.25 C +ATOM 810 CD2 TRP A 53 4.223 3.620 -0.671 1.00 0.21 C +ATOM 811 CE2 TRP A 53 5.210 2.627 -0.872 1.00 0.24 C +ATOM 812 CE3 TRP A 53 2.948 3.416 -1.234 1.00 0.21 C +ATOM 813 NE1 TRP A 53 6.325 3.103 -0.214 1.00 0.26 N +ATOM 814 CZ2 TRP A 53 4.946 1.474 -1.601 1.00 0.25 C +ATOM 815 CZ3 TRP A 53 2.684 2.251 -1.974 1.00 0.23 C +ATOM 816 H01 TRP A 53 3.466 1.504 -2.113 1.00 0.23 H +ATOM 817 H02 TRP A 53 2.840 7.536 2.127 1.00 0.20 H +ATOM 818 H03 TRP A 53 4.414 5.088 2.566 1.00 0.20 H +ATOM 819 H04 TRP A 53 4.606 6.798 0.079 1.00 0.24 H +ATOM 820 H05 TRP A 53 6.806 4.905 0.952 1.00 0.25 H +ATOM 821 H06 TRP A 53 2.166 4.162 -1.096 1.00 0.21 H +ATOM 822 H07 TRP A 53 7.209 2.616 -0.170 1.00 0.26 H +ATOM 823 H08 TRP A 53 4.740 0.650 -0.917 1.00 0.25 H +ATOM 824 H09 TRP A 53 1.697 2.094 -2.409 1.00 0.23 H +ATOM 825 H10 TRP A 53 3.102 5.922 0.410 1.00 0.24 H +ATOM 826 H11 TRP A 53 5.810 1.227 -2.217 1.00 0.25 H +ATOM 827 H12 TRP A 53 4.079 1.640 -2.241 1.00 0.25 H +ATOM 828 N ARG A 54 6.627 6.069 3.124 1.00 0.26 N +ATOM 829 CA ARG A 54 7.992 6.607 3.371 1.00 0.35 C +ATOM 830 C ARG A 54 8.988 5.823 2.515 1.00 0.49 C +ATOM 831 O ARG A 54 8.781 4.663 2.219 1.00 1.33 O +ATOM 832 CB ARG A 54 8.346 6.446 4.849 1.00 0.44 C +ATOM 833 CG ARG A 54 8.545 7.825 5.481 1.00 0.88 C +ATOM 834 CD ARG A 54 8.772 7.667 6.985 1.00 1.09 C +ATOM 835 NE ARG A 54 10.009 8.396 7.382 1.00 1.40 N +ATOM 836 CZ ARG A 54 10.254 8.632 8.637 1.00 1.87 C +ATOM 837 H01 ARG A 54 10.584 7.713 9.122 1.00 1.87 H +ATOM 838 H02 ARG A 54 6.331 5.218 3.580 1.00 0.26 H +ATOM 839 H03 ARG A 54 8.029 7.665 3.110 1.00 0.35 H +ATOM 840 H04 ARG A 54 9.265 5.867 4.942 1.00 0.44 H +ATOM 841 H05 ARG A 54 7.659 8.436 5.309 1.00 0.88 H +ATOM 842 H06 ARG A 54 8.879 6.610 7.227 1.00 1.09 H +ATOM 843 H07 ARG A 54 9.981 9.292 6.917 1.00 1.40 H +ATOM 844 H08 ARG A 54 9.348 8.995 9.123 1.00 1.87 H +ATOM 845 H09 ARG A 54 7.536 5.926 5.361 1.00 0.44 H +ATOM 846 H10 ARG A 54 9.412 8.309 5.031 1.00 0.88 H +ATOM 847 H11 ARG A 54 7.920 8.079 7.525 1.00 1.09 H +ATOM 848 H12 ARG A 54 11.037 9.386 8.718 1.00 1.87 H +ATOM 849 N GLN A 55 10.062 6.439 2.107 1.00 0.53 N +ATOM 850 CA GLN A 55 11.050 5.709 1.264 1.00 0.46 C +ATOM 851 C GLN A 55 10.308 5.032 0.111 1.00 0.53 C +ATOM 852 O GLN A 55 10.193 3.826 0.056 1.00 1.30 O +ATOM 853 CB GLN A 55 11.759 4.650 2.111 1.00 0.55 C +ATOM 854 CG GLN A 55 13.251 4.974 2.186 1.00 1.05 C +ATOM 855 CD GLN A 55 13.542 5.750 3.472 1.00 1.22 C +ATOM 856 NE2 GLN A 55 14.698 6.338 3.616 1.00 1.89 N +ATOM 857 OE1 GLN A 55 12.710 5.822 4.354 1.00 1.82 O +ATOM 858 H01 GLN A 55 15.390 6.278 2.883 1.00 1.89 H +ATOM 859 H02 GLN A 55 10.223 7.403 2.360 1.00 0.53 H +ATOM 860 H03 GLN A 55 11.790 6.405 0.869 1.00 0.46 H +ATOM 861 H04 GLN A 55 9.873 5.646 -0.678 1.00 0.53 H +ATOM 862 H05 GLN A 55 11.622 3.669 1.657 1.00 0.55 H +ATOM 863 H06 GLN A 55 13.536 5.578 1.324 1.00 1.05 H +ATOM 864 H07 GLN A 55 14.901 6.853 4.461 1.00 1.89 H +ATOM 865 H08 GLN A 55 11.337 4.646 3.116 1.00 0.55 H +ATOM 866 H09 GLN A 55 13.824 4.047 2.185 1.00 1.05 H +ATOM 867 N GLU A 57 10.824 5.355 -3.595 1.00 0.67 N +ATOM 868 CA GLU A 57 11.784 4.768 -4.576 1.00 0.65 C +ATOM 869 C GLU A 57 12.637 3.708 -3.882 1.00 0.58 C +ATOM 870 O GLU A 57 13.002 2.709 -4.467 1.00 0.58 O +ATOM 871 CB GLU A 57 12.703 5.861 -5.118 1.00 0.80 C +ATOM 872 CG GLU A 57 11.991 6.634 -6.229 1.00 1.16 C +ATOM 873 CD GLU A 57 12.794 7.891 -6.571 1.00 1.75 C +ATOM 874 OE1 GLU A 57 13.812 8.110 -5.935 1.00 2.34 O +ATOM 875 OE2 GLU A 57 12.378 8.612 -7.462 1.00 2.41 O1- +ATOM 876 H01 GLU A 57 10.994 6.919 -5.893 1.00 1.16 H +ATOM 877 H02 GLU A 57 10.673 6.329 -3.813 1.00 0.67 H +ATOM 878 H03 GLU A 57 11.224 4.319 -5.396 1.00 0.65 H +ATOM 879 H04 GLU A 57 13.610 5.407 -5.516 1.00 0.80 H +ATOM 880 H05 GLU A 57 11.908 6.004 -7.114 1.00 1.16 H +ATOM 881 H06 GLU A 57 11.203 5.273 -2.662 1.00 0.67 H +ATOM 882 H07 GLU A 57 12.960 6.547 -4.311 1.00 0.80 H +ATOM 883 N GLN A 58 12.961 3.924 -2.638 1.00 0.58 N +ATOM 884 CA GLN A 58 13.786 2.942 -1.899 1.00 0.60 C +ATOM 885 C GLN A 58 12.982 1.655 -1.731 1.00 0.53 C +ATOM 886 O GLN A 58 13.524 0.569 -1.730 1.00 0.56 O +ATOM 887 CB GLN A 58 14.158 3.516 -0.530 1.00 0.69 C +ATOM 888 CG GLN A 58 15.064 4.735 -0.723 1.00 0.94 C +ATOM 889 CD GLN A 58 16.526 4.322 -0.542 1.00 1.56 C +ATOM 890 NE2 GLN A 58 17.472 5.114 -0.966 1.00 1.94 N +ATOM 891 OE1 GLN A 58 16.810 3.268 -0.008 1.00 2.34 O +ATOM 892 H01 GLN A 58 17.236 5.990 -1.409 1.00 1.94 H +ATOM 893 H02 GLN A 58 12.648 4.766 -2.176 1.00 0.58 H +ATOM 894 H03 GLN A 58 14.702 2.729 -2.450 1.00 0.60 H +ATOM 895 H04 GLN A 58 14.683 2.759 0.053 1.00 0.69 H +ATOM 896 H05 GLN A 58 14.808 5.498 0.012 1.00 0.94 H +ATOM 897 H06 GLN A 58 18.440 4.851 -0.851 1.00 1.94 H +ATOM 898 H07 GLN A 58 13.253 3.814 -0.000 1.00 0.69 H +ATOM 899 H08 GLN A 58 14.923 5.135 -1.727 1.00 0.94 H +ATOM 900 N SER A 59 11.685 1.773 -1.611 1.00 0.52 N +ATOM 901 CA SER A 59 10.829 0.560 -1.473 1.00 0.52 C +ATOM 902 C SER A 59 10.318 0.172 -2.859 1.00 0.44 C +ATOM 903 O SER A 59 9.371 -0.576 -3.002 1.00 0.48 O +ATOM 904 CB SER A 59 9.639 0.859 -0.562 1.00 0.65 C +ATOM 905 OG SER A 59 9.861 0.266 0.709 1.00 1.39 O +ATOM 906 H01 SER A 59 10.158 -0.640 0.593 1.00 1.39 H +ATOM 907 H02 SER A 59 11.261 2.690 -1.612 1.00 0.52 H +ATOM 908 H03 SER A 59 11.410 -0.253 -1.038 1.00 0.52 H +ATOM 909 H04 SER A 59 8.730 0.449 -1.002 1.00 0.65 H +ATOM 910 H05 SER A 59 9.529 1.937 -0.448 1.00 0.65 H +ATOM 911 N LYS A 60 10.954 0.675 -3.881 1.00 0.41 N +ATOM 912 CA LYS A 60 10.532 0.342 -5.266 1.00 0.42 C +ATOM 913 C LYS A 60 11.614 -0.520 -5.922 1.00 0.44 C +ATOM 914 O LYS A 60 11.326 -1.436 -6.666 1.00 0.55 O +ATOM 915 CB LYS A 60 10.356 1.636 -6.062 1.00 0.51 C +ATOM 916 CG LYS A 60 9.518 1.361 -7.311 1.00 1.03 C +ATOM 917 CD LYS A 60 9.317 2.665 -8.084 1.00 1.61 C +ATOM 918 CE LYS A 60 9.529 2.412 -9.575 1.00 2.36 C +ATOM 919 NZ LYS A 60 10.507 3.397 -10.112 1.00 3.11 N1+ +ATOM 920 H01 LYS A 60 10.692 4.103 -9.414 1.00 3.11 H +ATOM 921 H02 LYS A 60 11.738 1.294 -3.730 1.00 0.41 H +ATOM 922 H03 LYS A 60 9.589 -0.204 -5.248 1.00 0.42 H +ATOM 923 H04 LYS A 60 11.334 2.017 -6.357 1.00 0.51 H +ATOM 924 H05 LYS A 60 8.549 0.958 -7.018 1.00 1.03 H +ATOM 925 H06 LYS A 60 10.034 3.409 -7.736 1.00 1.61 H +ATOM 926 H07 LYS A 60 8.580 2.518 -10.101 1.00 2.36 H +ATOM 927 H08 LYS A 60 10.127 3.832 -10.940 1.00 3.11 H +ATOM 928 H09 LYS A 60 9.849 2.375 -5.442 1.00 0.51 H +ATOM 929 H10 LYS A 60 10.033 0.638 -7.944 1.00 1.03 H +ATOM 930 H11 LYS A 60 8.304 3.032 -7.919 1.00 1.61 H +ATOM 931 H12 LYS A 60 9.914 1.403 -9.721 1.00 2.36 H +ATOM 932 H13 LYS A 60 11.367 2.923 -10.346 1.00 3.11 H +ATOM 933 N GLN A 61 12.860 -0.228 -5.655 1.00 0.51 N +ATOM 934 CA GLN A 61 13.963 -1.020 -6.264 1.00 0.62 C +ATOM 935 C GLN A 61 14.010 -2.425 -5.651 1.00 0.60 C +ATOM 936 O GLN A 61 13.841 -3.416 -6.332 1.00 0.66 O +ATOM 937 CB GLN A 61 15.297 -0.315 -6.006 1.00 0.73 C +ATOM 938 CG GLN A 61 15.326 1.021 -6.751 1.00 1.14 C +ATOM 939 CD GLN A 61 16.704 1.221 -7.385 1.00 1.66 C +ATOM 940 NE2 GLN A 61 17.024 2.390 -7.868 1.00 2.39 N +ATOM 941 OE1 GLN A 61 17.499 0.303 -7.440 1.00 2.16 O +ATOM 942 H01 GLN A 61 16.364 3.153 -7.822 1.00 2.39 H +ATOM 943 H02 GLN A 61 13.075 0.538 -5.033 1.00 0.51 H +ATOM 944 H03 GLN A 61 13.786 -1.104 -7.336 1.00 0.62 H +ATOM 945 H04 GLN A 61 16.114 -0.945 -6.357 1.00 0.73 H +ATOM 946 H05 GLN A 61 15.126 1.832 -6.051 1.00 1.14 H +ATOM 947 H06 GLN A 61 17.932 2.532 -8.288 1.00 2.39 H +ATOM 948 H07 GLN A 61 15.409 -0.135 -4.937 1.00 0.73 H +ATOM 949 H08 GLN A 61 14.564 1.019 -7.531 1.00 1.14 H +ATOM 950 N LEU A 62 14.264 -2.497 -4.372 1.00 0.64 N +ATOM 951 CA LEU A 62 14.358 -3.820 -3.661 1.00 0.71 C +ATOM 952 C LEU A 62 13.391 -4.833 -4.276 1.00 0.67 C +ATOM 953 O LEU A 62 13.653 -6.019 -4.302 1.00 0.94 O +ATOM 954 CB LEU A 62 13.995 -3.678 -2.170 1.00 0.78 C +ATOM 955 CG LEU A 62 13.609 -2.241 -1.817 1.00 0.78 C +ATOM 956 CD1 LEU A 62 12.330 -1.844 -2.561 1.00 0.66 C +ATOM 957 CD2 LEU A 62 13.367 -2.146 -0.310 1.00 0.94 C +ATOM 958 H01 LEU A 62 13.619 -1.144 0.037 1.00 0.94 H +ATOM 959 H02 LEU A 62 14.401 -1.645 -3.848 1.00 0.64 H +ATOM 960 H03 LEU A 62 15.388 -4.162 -3.764 1.00 0.71 H +ATOM 961 H04 LEU A 62 12.449 -4.484 -4.699 1.00 0.67 H +ATOM 962 H05 LEU A 62 14.854 -3.972 -1.567 1.00 0.78 H +ATOM 963 H06 LEU A 62 14.415 -1.568 -2.110 1.00 0.78 H +ATOM 964 H07 LEU A 62 11.970 -2.692 -3.144 1.00 0.66 H +ATOM 965 H08 LEU A 62 13.990 -2.877 0.205 1.00 0.94 H +ATOM 966 H09 LEU A 62 13.138 -4.320 -1.966 1.00 0.78 H +ATOM 967 H10 LEU A 62 12.541 -1.008 -3.228 1.00 0.66 H +ATOM 968 H11 LEU A 62 12.318 -2.350 -0.098 1.00 0.94 H +ATOM 969 H12 LEU A 62 11.568 -1.549 -1.840 1.00 0.66 H +ATOM 970 N GLU A 64 11.921 -4.721 -7.629 1.00 0.95 N +ATOM 971 CA GLU A 64 11.731 -4.227 -9.035 1.00 1.21 C +ATOM 972 C GLU A 64 10.247 -4.117 -9.389 1.00 1.18 C +ATOM 973 O GLU A 64 9.570 -5.108 -9.578 1.00 1.53 O +ATOM 974 CB GLU A 64 12.403 -5.214 -9.993 1.00 1.55 C +ATOM 975 CG GLU A 64 12.903 -4.472 -11.231 1.00 1.91 C +ATOM 976 CD GLU A 64 14.052 -5.257 -11.865 1.00 2.44 C +ATOM 977 OE1 GLU A 64 14.291 -6.373 -11.432 1.00 3.09 O +ATOM 978 OE2 GLU A 64 14.675 -4.730 -12.771 1.00 2.79 O1- +ATOM 979 H01 GLU A 64 13.254 -3.481 -10.945 1.00 1.91 H +ATOM 980 H02 GLU A 64 12.291 -5.660 -7.649 1.00 0.95 H +ATOM 981 H03 GLU A 64 12.176 -3.236 -9.121 1.00 1.21 H +ATOM 982 H04 GLU A 64 11.683 -5.976 -10.293 1.00 1.55 H +ATOM 983 H05 GLU A 64 12.089 -4.374 -11.950 1.00 1.91 H +ATOM 984 H06 GLU A 64 11.033 -4.719 -7.148 1.00 0.95 H +ATOM 985 H07 GLU A 64 13.247 -5.686 -9.490 1.00 1.55 H +ATOM 986 N ASN A 65 9.732 -2.920 -9.470 1.00 1.70 N +ATOM 987 CA ASN A 65 8.289 -2.761 -9.802 1.00 1.68 C +ATOM 988 C ASN A 65 7.456 -3.157 -8.582 1.00 0.85 C +ATOM 989 O ASN A 65 6.375 -3.697 -8.706 1.00 1.09 O +ATOM 990 CB ASN A 65 7.944 -3.685 -10.974 1.00 2.27 C +ATOM 991 CG ASN A 65 6.828 -3.063 -11.814 1.00 2.89 C +ATOM 992 ND2 ASN A 65 5.844 -3.815 -12.224 1.00 3.66 N +ATOM 993 OD1 ASN A 65 6.854 -1.884 -12.103 1.00 3.24 O +ATOM 994 H01 ASN A 65 5.824 -4.796 -11.984 1.00 3.66 H +ATOM 995 H02 ASN A 65 10.309 -2.107 -9.308 1.00 1.70 H +ATOM 996 H03 ASN A 65 8.077 -1.727 -10.075 1.00 1.68 H +ATOM 997 H04 ASN A 65 7.613 -4.650 -10.590 1.00 2.27 H +ATOM 998 H05 ASN A 65 5.102 -3.416 -12.781 1.00 3.66 H +ATOM 999 H06 ASN A 65 8.828 -3.822 -11.596 1.00 2.27 H +ATOM 1000 N GLY A 66 7.968 -2.928 -7.401 1.00 0.56 N +ATOM 1001 CA GLY A 66 7.225 -3.330 -6.177 1.00 1.20 C +ATOM 1002 C GLY A 66 6.279 -2.227 -5.680 1.00 0.91 C +ATOM 1003 O GLY A 66 5.073 -2.381 -5.677 1.00 1.26 O +ATOM 1004 H01 GLY A 66 7.943 -3.558 -5.389 1.00 1.20 H +ATOM 1005 H02 GLY A 66 8.869 -2.478 -7.320 1.00 0.56 H +ATOM 1006 H03 GLY A 66 6.619 -4.201 -6.426 1.00 1.20 H +ATOM 1007 N ALA A 67 6.826 -1.155 -5.185 1.00 0.39 N +ATOM 1008 CA ALA A 67 5.996 -0.071 -4.590 1.00 0.46 C +ATOM 1009 C ALA A 67 5.313 0.846 -5.615 1.00 0.34 C +ATOM 1010 O ALA A 67 4.352 1.513 -5.286 1.00 0.53 O +ATOM 1011 CB ALA A 67 6.909 0.777 -3.713 1.00 0.64 C +ATOM 1012 H01 ALA A 67 7.191 0.210 -2.826 1.00 0.64 H +ATOM 1013 H02 ALA A 67 7.831 -1.056 -5.205 1.00 0.39 H +ATOM 1014 H03 ALA A 67 5.191 -0.552 -4.034 1.00 0.46 H +ATOM 1015 H04 ALA A 67 6.385 1.685 -3.413 1.00 0.64 H +ATOM 1016 H05 ALA A 67 7.805 1.044 -4.273 1.00 0.64 H +ATOM 1017 N GLU A 68 5.778 0.935 -6.823 1.00 0.27 N +ATOM 1018 CA GLU A 68 5.129 1.851 -7.769 1.00 0.38 C +ATOM 1019 C GLU A 68 3.751 1.292 -8.176 1.00 0.39 C +ATOM 1020 O GLU A 68 2.884 2.021 -8.617 1.00 0.49 O +ATOM 1021 CB GLU A 68 6.069 2.020 -8.971 1.00 0.51 C +ATOM 1022 CG GLU A 68 5.274 2.020 -10.258 1.00 1.38 C +ATOM 1023 CD GLU A 68 6.148 2.521 -11.410 1.00 1.57 C +ATOM 1024 OE1 GLU A 68 6.989 3.370 -11.165 1.00 1.83 O +ATOM 1025 OE2 GLU A 68 5.961 2.047 -12.518 1.00 2.27 O1- +ATOM 1026 H01 GLU A 68 4.409 2.674 -10.149 1.00 1.38 H +ATOM 1027 H02 GLU A 68 6.574 0.383 -7.108 1.00 0.27 H +ATOM 1028 H03 GLU A 68 4.950 2.828 -7.320 1.00 0.38 H +ATOM 1029 H04 GLU A 68 6.784 1.198 -8.988 1.00 0.51 H +ATOM 1030 H05 GLU A 68 4.942 1.005 -10.475 1.00 1.38 H +ATOM 1031 H06 GLU A 68 6.598 2.969 -8.879 1.00 0.51 H +ATOM 1032 N SER A 69 3.544 0.011 -8.034 1.00 0.39 N +ATOM 1033 CA SER A 69 2.227 -0.585 -8.417 1.00 0.47 C +ATOM 1034 C SER A 69 1.196 -0.382 -7.297 1.00 0.37 C +ATOM 1035 O SER A 69 0.120 0.157 -7.510 1.00 0.35 O +ATOM 1036 CB SER A 69 2.405 -2.082 -8.669 1.00 0.58 C +ATOM 1037 OG SER A 69 2.127 -2.366 -10.033 1.00 0.90 O +ATOM 1038 H01 SER A 69 1.847 -3.280 -10.119 1.00 0.90 H +ATOM 1039 H02 SER A 69 4.275 -0.579 -7.664 1.00 0.39 H +ATOM 1040 H03 SER A 69 1.868 -0.091 -9.320 1.00 0.47 H +ATOM 1041 H04 SER A 69 1.720 -2.643 -8.033 1.00 0.58 H +ATOM 1042 H05 SER A 69 3.430 -2.371 -8.438 1.00 0.58 H +ATOM 1043 N VAL A 70 1.509 -0.818 -6.106 1.00 0.34 N +ATOM 1044 CA VAL A 70 0.544 -0.662 -4.984 1.00 0.27 C +ATOM 1045 C VAL A 70 0.107 0.793 -4.912 1.00 0.20 C +ATOM 1046 O VAL A 70 -1.057 1.098 -4.748 1.00 0.20 O +ATOM 1047 CB VAL A 70 1.215 -1.063 -3.671 1.00 0.31 C +ATOM 1048 CG1 VAL A 70 0.288 -0.737 -2.499 1.00 0.29 C +ATOM 1049 CG2 VAL A 70 1.504 -2.565 -3.687 1.00 0.41 C +ATOM 1050 H01 VAL A 70 1.570 -2.912 -4.718 1.00 0.41 H +ATOM 1051 H02 VAL A 70 2.403 -1.260 -5.947 1.00 0.34 H +ATOM 1052 H03 VAL A 70 -0.323 -1.301 -5.149 1.00 0.27 H +ATOM 1053 H04 VAL A 70 2.148 -0.511 -3.558 1.00 0.31 H +ATOM 1054 H05 VAL A 70 0.150 0.342 -2.433 1.00 0.29 H +ATOM 1055 H06 VAL A 70 0.701 -3.096 -3.175 1.00 0.41 H +ATOM 1056 H07 VAL A 70 0.730 -1.104 -1.573 1.00 0.29 H +ATOM 1057 H08 VAL A 70 2.448 -2.758 -3.178 1.00 0.41 H +ATOM 1058 H09 VAL A 70 -0.678 -1.217 -2.656 1.00 0.29 H +ATOM 1059 N LEU A 71 1.033 1.696 -5.048 1.00 0.24 N +ATOM 1060 CA LEU A 71 0.663 3.134 -5.002 1.00 0.23 C +ATOM 1061 C LEU A 71 -0.340 3.411 -6.113 1.00 0.23 C +ATOM 1062 O LEU A 71 -1.335 4.061 -5.909 1.00 0.23 O +ATOM 1063 CB LEU A 71 1.897 3.996 -5.229 1.00 0.30 C +ATOM 1064 CG LEU A 71 1.476 5.464 -5.305 1.00 0.35 C +ATOM 1065 CD1 LEU A 71 1.177 5.986 -3.899 1.00 0.36 C +ATOM 1066 CD2 LEU A 71 2.605 6.290 -5.924 1.00 0.43 C +ATOM 1067 H01 LEU A 71 2.829 7.140 -5.280 1.00 0.43 H +ATOM 1068 H02 LEU A 71 1.996 1.422 -5.184 1.00 0.24 H +ATOM 1069 H03 LEU A 71 0.234 3.369 -4.028 1.00 0.23 H +ATOM 1070 H04 LEU A 71 2.379 3.705 -6.162 1.00 0.30 H +ATOM 1071 H05 LEU A 71 0.582 5.550 -5.922 1.00 0.35 H +ATOM 1072 H06 LEU A 71 1.349 7.062 -3.866 1.00 0.36 H +ATOM 1073 H07 LEU A 71 2.297 6.649 -6.906 1.00 0.43 H +ATOM 1074 H08 LEU A 71 2.597 3.858 -4.405 1.00 0.30 H +ATOM 1075 H09 LEU A 71 1.830 5.491 -3.180 1.00 0.36 H +ATOM 1076 H10 LEU A 71 3.495 5.669 -6.027 1.00 0.43 H +ATOM 1077 H11 LEU A 71 0.137 5.777 -3.648 1.00 0.36 H +ATOM 1078 N GLN A 72 -0.083 2.914 -7.289 1.00 0.28 N +ATOM 1079 CA GLN A 72 -1.027 3.138 -8.419 1.00 0.30 C +ATOM 1080 C GLN A 72 -2.417 2.716 -7.977 1.00 0.25 C +ATOM 1081 O GLN A 72 -3.408 3.314 -8.334 1.00 0.25 O +ATOM 1082 CB GLN A 72 -0.583 2.279 -9.617 1.00 0.35 C +ATOM 1083 CG GLN A 72 -1.789 1.868 -10.473 1.00 1.18 C +ATOM 1084 CD GLN A 72 -1.304 1.317 -11.813 1.00 1.42 C +ATOM 1085 NE2 GLN A 72 -1.144 0.029 -11.955 1.00 1.97 N +ATOM 1086 OE1 GLN A 72 -1.069 2.064 -12.742 1.00 1.78 O +ATOM 1087 H01 GLN A 72 -1.340 -0.592 -11.183 1.00 1.97 H +ATOM 1088 H02 GLN A 72 0.759 2.375 -7.435 1.00 0.28 H +ATOM 1089 H03 GLN A 72 -1.034 4.189 -8.708 1.00 0.30 H +ATOM 1090 H04 GLN A 72 -0.084 1.383 -9.249 1.00 0.35 H +ATOM 1091 H05 GLN A 72 -2.425 2.736 -10.646 1.00 1.18 H +ATOM 1092 H06 GLN A 72 -0.824 -0.346 -12.837 1.00 1.97 H +ATOM 1093 H07 GLN A 72 0.097 2.867 -10.233 1.00 0.35 H +ATOM 1094 H08 GLN A 72 -2.357 1.099 -9.950 1.00 1.18 H +ATOM 1095 N VAL A 73 -2.487 1.666 -7.230 1.00 0.23 N +ATOM 1096 CA VAL A 73 -3.797 1.162 -6.774 1.00 0.20 C +ATOM 1097 C VAL A 73 -4.352 2.055 -5.661 1.00 0.16 C +ATOM 1098 O VAL A 73 -5.547 2.201 -5.514 1.00 0.16 O +ATOM 1099 CB VAL A 73 -3.590 -0.254 -6.268 1.00 0.21 C +ATOM 1100 CG1 VAL A 73 -4.840 -0.752 -5.547 1.00 0.20 C +ATOM 1101 CG2 VAL A 73 -3.258 -1.151 -7.468 1.00 0.26 C +ATOM 1102 H01 VAL A 73 -3.361 -0.578 -8.390 1.00 0.26 H +ATOM 1103 H02 VAL A 73 -1.641 1.187 -6.956 1.00 0.23 H +ATOM 1104 H03 VAL A 73 -4.517 1.171 -7.592 1.00 0.20 H +ATOM 1105 H04 VAL A 73 -3.662 2.568 -4.990 1.00 0.16 H +ATOM 1106 H05 VAL A 73 -2.768 -0.279 -5.553 1.00 0.21 H +ATOM 1107 H06 VAL A 73 -5.089 -0.068 -4.736 1.00 0.20 H +ATOM 1108 H07 VAL A 73 -3.942 -1.999 -7.488 1.00 0.26 H +ATOM 1109 H08 VAL A 73 -4.654 -1.746 -5.141 1.00 0.20 H +ATOM 1110 H09 VAL A 73 -2.234 -1.513 -7.378 1.00 0.26 H +ATOM 1111 H10 VAL A 73 -5.671 -0.798 -6.251 1.00 0.20 H +ATOM 1112 N ARG A 75 -3.859 5.334 -5.388 1.00 0.19 N +ATOM 1113 CA ARG A 75 -4.271 6.610 -6.018 1.00 0.23 C +ATOM 1114 C ARG A 75 -5.453 6.341 -6.929 1.00 0.24 C +ATOM 1115 O ARG A 75 -6.368 7.124 -7.030 1.00 0.33 O +ATOM 1116 CB ARG A 75 -3.119 7.150 -6.851 1.00 0.26 C +ATOM 1117 CG ARG A 75 -1.995 7.625 -5.930 1.00 0.54 C +ATOM 1118 CD ARG A 75 -1.790 9.130 -6.107 1.00 1.28 C +ATOM 1119 NE ARG A 75 -1.186 9.394 -7.445 1.00 1.38 N +ATOM 1120 CZ ARG A 75 -1.177 10.604 -7.930 1.00 1.76 C +ATOM 1121 H01 ARG A 75 -2.143 11.076 -7.750 1.00 1.76 H +ATOM 1122 H02 ARG A 75 -3.693 4.642 -6.105 1.00 0.19 H +ATOM 1123 H03 ARG A 75 -4.543 7.335 -5.251 1.00 0.23 H +ATOM 1124 H04 ARG A 75 -3.470 7.986 -7.457 1.00 0.26 H +ATOM 1125 H05 ARG A 75 -1.073 7.100 -6.181 1.00 0.54 H +ATOM 1126 H06 ARG A 75 -1.125 9.501 -5.327 1.00 1.28 H +ATOM 1127 H07 ARG A 75 -1.683 8.817 -8.109 1.00 1.38 H +ATOM 1128 H08 ARG A 75 -0.986 10.565 -9.002 1.00 1.76 H +ATOM 1129 H09 ARG A 75 -4.590 5.011 -4.771 1.00 0.19 H +ATOM 1130 H10 ARG A 75 -2.743 6.360 -7.501 1.00 0.26 H +ATOM 1131 H11 ARG A 75 -2.262 7.415 -4.894 1.00 0.54 H +ATOM 1132 H12 ARG A 75 -2.751 9.639 -6.035 1.00 1.28 H +ATOM 1133 H13 ARG A 75 -0.394 11.184 -7.443 1.00 1.76 H +ATOM 1134 N GLU A 76 -5.429 5.219 -7.581 1.00 0.22 N +ATOM 1135 CA GLU A 76 -6.544 4.838 -8.482 1.00 0.23 C +ATOM 1136 C GLU A 76 -7.787 4.692 -7.616 1.00 0.21 C +ATOM 1137 O GLU A 76 -8.839 5.219 -7.917 1.00 0.23 O +ATOM 1138 CB GLU A 76 -6.206 3.501 -9.129 1.00 0.24 C +ATOM 1139 CG GLU A 76 -5.555 3.723 -10.494 1.00 0.30 C +ATOM 1140 CD GLU A 76 -6.631 4.058 -11.527 1.00 0.89 C +ATOM 1141 OE1 GLU A 76 -7.781 3.734 -11.282 1.00 1.65 O +ATOM 1142 OE2 GLU A 76 -6.286 4.632 -12.547 1.00 1.48 O1- +ATOM 1143 H01 GLU A 76 -5.029 2.818 -10.797 1.00 0.30 H +ATOM 1144 H02 GLU A 76 -4.641 4.597 -7.473 1.00 0.22 H +ATOM 1145 H03 GLU A 76 -6.707 5.582 -9.262 1.00 0.23 H +ATOM 1146 H04 GLU A 76 -7.120 2.921 -9.256 1.00 0.24 H +ATOM 1147 H05 GLU A 76 -4.848 4.550 -10.427 1.00 0.30 H +ATOM 1148 H06 GLU A 76 -5.509 2.962 -8.487 1.00 0.24 H +ATOM 1149 N ALA A 77 -7.653 4.005 -6.512 1.00 0.18 N +ATOM 1150 CA ALA A 77 -8.796 3.857 -5.591 1.00 0.17 C +ATOM 1151 C ALA A 77 -9.143 5.259 -5.113 1.00 0.19 C +ATOM 1152 O ALA A 77 -10.294 5.632 -5.003 1.00 0.20 O +ATOM 1153 CB ALA A 77 -8.403 2.975 -4.403 1.00 0.17 C +ATOM 1154 H01 ALA A 77 -8.156 1.975 -4.758 1.00 0.17 H +ATOM 1155 H02 ALA A 77 -6.766 3.575 -6.289 1.00 0.18 H +ATOM 1156 H03 ALA A 77 -9.646 3.385 -6.084 1.00 0.17 H +ATOM 1157 H04 ALA A 77 -9.236 2.916 -3.702 1.00 0.17 H +ATOM 1158 H05 ALA A 77 -7.537 3.406 -3.902 1.00 0.17 H +ATOM 1159 N LYS A 78 -8.133 6.059 -4.876 1.00 0.21 N +ATOM 1160 CA LYS A 78 -8.377 7.464 -4.462 1.00 0.24 C +ATOM 1161 C LYS A 78 -9.200 8.121 -5.560 1.00 0.28 C +ATOM 1162 O LYS A 78 -9.990 9.016 -5.336 1.00 0.32 O +ATOM 1163 CB LYS A 78 -7.038 8.187 -4.372 1.00 0.26 C +ATOM 1164 CG LYS A 78 -7.077 9.218 -3.247 1.00 0.32 C +ATOM 1165 CD LYS A 78 -7.173 10.619 -3.855 1.00 0.70 C +ATOM 1166 CE LYS A 78 -7.216 11.663 -2.738 1.00 0.99 C +ATOM 1167 NZ LYS A 78 -6.353 12.821 -3.109 1.00 1.50 N1+ +ATOM 1168 H01 LYS A 78 -6.184 13.391 -2.293 1.00 1.50 H +ATOM 1169 H02 LYS A 78 -7.187 5.720 -4.975 1.00 0.21 H +ATOM 1170 H03 LYS A 78 -8.889 7.505 -3.501 1.00 0.24 H +ATOM 1171 H04 LYS A 78 -6.834 8.690 -5.317 1.00 0.26 H +ATOM 1172 H05 LYS A 78 -6.169 9.141 -2.648 1.00 0.32 H +ATOM 1173 H06 LYS A 78 -8.079 10.693 -4.456 1.00 0.70 H +ATOM 1174 H07 LYS A 78 -6.852 11.220 -1.811 1.00 0.99 H +ATOM 1175 H08 LYS A 78 -6.816 13.374 -3.816 1.00 1.50 H +ATOM 1176 H09 LYS A 78 -6.252 7.461 -4.165 1.00 0.26 H +ATOM 1177 H10 LYS A 78 -7.942 9.034 -2.610 1.00 0.32 H +ATOM 1178 H11 LYS A 78 -6.302 10.800 -4.485 1.00 0.70 H +ATOM 1179 H12 LYS A 78 -8.242 12.004 -2.598 1.00 0.99 H +ATOM 1180 H13 LYS A 78 -5.473 12.482 -3.470 1.00 1.50 H +ATOM 1181 N ALA A 79 -8.984 7.664 -6.756 1.00 0.28 N +ATOM 1182 CA ALA A 79 -9.690 8.204 -7.933 1.00 0.33 C +ATOM 1183 C ALA A 79 -11.110 7.645 -7.972 1.00 0.32 C +ATOM 1184 O ALA A 79 -12.027 8.262 -8.477 1.00 0.38 O +ATOM 1185 CB ALA A 79 -8.920 7.757 -9.173 1.00 0.35 C +ATOM 1186 H01 ALA A 79 -8.830 8.593 -9.866 1.00 0.35 H +ATOM 1187 H02 ALA A 79 -8.314 6.919 -6.884 1.00 0.28 H +ATOM 1188 H03 ALA A 79 -9.746 9.292 -7.891 1.00 0.33 H +ATOM 1189 H04 ALA A 79 -9.453 6.939 -9.657 1.00 0.35 H +ATOM 1190 H05 ALA A 79 -7.926 7.420 -8.880 1.00 0.35 H +ATOM 1191 N GLU A 80 -11.285 6.472 -7.440 1.00 0.28 N +ATOM 1192 CA GLU A 80 -12.620 5.829 -7.425 1.00 0.29 C +ATOM 1193 C GLU A 80 -13.585 6.626 -6.544 1.00 0.37 C +ATOM 1194 O GLU A 80 -14.762 6.332 -6.476 1.00 0.68 O +ATOM 1195 CB GLU A 80 -12.466 4.417 -6.865 1.00 0.32 C +ATOM 1196 CG GLU A 80 -12.076 3.469 -7.995 1.00 0.45 C +ATOM 1197 CD GLU A 80 -13.336 2.876 -8.627 1.00 0.67 C +ATOM 1198 OE1 GLU A 80 -13.927 3.543 -9.460 1.00 1.40 O +ATOM 1199 OE2 GLU A 80 -13.688 1.764 -8.269 1.00 1.30 O1- +ATOM 1200 H01 GLU A 80 -11.456 2.665 -7.597 1.00 0.45 H +ATOM 1201 H02 GLU A 80 -10.498 5.991 -7.030 1.00 0.28 H +ATOM 1202 H03 GLU A 80 -13.023 5.797 -8.437 1.00 0.29 H +ATOM 1203 H04 GLU A 80 -13.410 4.093 -6.426 1.00 0.32 H +ATOM 1204 H05 GLU A 80 -11.517 4.020 -8.752 1.00 0.45 H +ATOM 1205 H06 GLU A 80 -11.692 4.410 -6.098 1.00 0.32 H +ATOM 1206 N GLY A 81 -13.098 7.621 -5.858 1.00 0.39 N +ATOM 1207 CA GLY A 81 -13.987 8.421 -4.973 1.00 0.45 C +ATOM 1208 C GLY A 81 -13.572 8.186 -3.522 1.00 0.39 C +ATOM 1209 O GLY A 81 -13.963 8.908 -2.626 1.00 0.45 O +ATOM 1210 H01 GLY A 81 -15.022 8.111 -5.114 1.00 0.45 H +ATOM 1211 H02 GLY A 81 -12.117 7.849 -5.927 1.00 0.39 H +ATOM 1212 H03 GLY A 81 -13.900 9.480 -5.218 1.00 0.45 H +ATOM 1213 N CYS A 82 -12.776 7.179 -3.288 1.00 0.41 N +ATOM 1214 CA CYS A 82 -12.322 6.888 -1.905 1.00 0.38 C +ATOM 1215 C CYS A 82 -11.476 8.057 -1.395 1.00 0.38 C +ATOM 1216 O CYS A 82 -10.977 8.854 -2.164 1.00 0.49 O +ATOM 1217 CB CYS A 82 -11.480 5.614 -1.920 1.00 0.39 C +ATOM 1218 SG CYS A 82 -12.566 4.168 -1.820 1.00 0.63 S +ATOM 1219 H01 CYS A 82 -12.827 3.893 -0.535 1.00 0.63 H +ATOM 1220 H02 CYS A 82 -12.467 6.595 -4.052 1.00 0.41 H +ATOM 1221 H03 CYS A 82 -13.182 6.753 -1.249 1.00 0.38 H +ATOM 1222 H04 CYS A 82 -10.800 5.618 -1.068 1.00 0.39 H +ATOM 1223 H05 CYS A 82 -10.904 5.571 -2.845 1.00 0.39 H +ATOM 1224 N ASP A 83 -11.316 8.173 -0.105 1.00 0.32 N +ATOM 1225 CA ASP A 83 -10.510 9.298 0.444 1.00 0.37 C +ATOM 1226 C ASP A 83 -9.188 8.769 1.009 1.00 0.36 C +ATOM 1227 O ASP A 83 -8.935 8.844 2.195 1.00 0.57 O +ATOM 1228 CB ASP A 83 -11.305 9.984 1.553 1.00 0.42 C +ATOM 1229 CG ASP A 83 -10.709 11.364 1.834 1.00 0.53 C +ATOM 1230 OD1 ASP A 83 -9.782 11.437 2.624 1.00 1.11 O +ATOM 1231 OD2 ASP A 83 -11.191 12.324 1.255 1.00 1.30 O1- +ATOM 1232 H01 ASP A 83 -11.262 9.379 2.458 1.00 0.42 H +ATOM 1233 H02 ASP A 83 -11.738 7.501 0.520 1.00 0.32 H +ATOM 1234 H03 ASP A 83 -10.292 10.011 -0.351 1.00 0.37 H +ATOM 1235 H04 ASP A 83 -12.342 10.096 1.238 1.00 0.42 H +ATOM 1236 N ILE A 84 -8.339 8.244 0.168 1.00 0.33 N +ATOM 1237 CA ILE A 84 -7.028 7.720 0.652 1.00 0.31 C +ATOM 1238 C ILE A 84 -5.965 8.818 0.503 1.00 0.34 C +ATOM 1239 O ILE A 84 -5.289 8.905 -0.503 1.00 0.67 O +ATOM 1240 CB ILE A 84 -6.622 6.513 -0.191 1.00 0.30 C +ATOM 1241 CG1 ILE A 84 -7.546 5.345 0.117 1.00 0.50 C +ATOM 1242 CG2 ILE A 84 -5.182 6.114 0.131 1.00 0.28 C +ATOM 1243 CD1 ILE A 84 -8.049 4.762 -1.198 1.00 0.34 C +ATOM 1244 H01 ILE A 84 -8.307 3.713 -1.056 1.00 0.34 H +ATOM 1245 H02 ILE A 84 -8.570 8.192 -0.814 1.00 0.33 H +ATOM 1246 H03 ILE A 84 -7.114 7.424 1.697 1.00 0.31 H +ATOM 1247 H04 ILE A 84 -5.814 9.531 1.313 1.00 0.34 H +ATOM 1248 H05 ILE A 84 -6.697 6.774 -1.247 1.00 0.30 H +ATOM 1249 H06 ILE A 84 -8.391 5.691 0.713 1.00 0.50 H +ATOM 1250 H07 ILE A 84 -4.809 5.443 -0.643 1.00 0.28 H +ATOM 1251 H08 ILE A 84 -7.269 4.846 -1.955 1.00 0.34 H +ATOM 1252 H09 ILE A 84 -7.007 4.583 0.680 1.00 0.50 H +ATOM 1253 H10 ILE A 84 -5.152 5.609 1.096 1.00 0.28 H +ATOM 1254 H11 ILE A 84 -8.932 5.312 -1.524 1.00 0.34 H +ATOM 1255 H12 ILE A 84 -4.558 7.007 0.169 1.00 0.28 H +ATOM 1256 N ILE A 86 -3.051 10.211 -0.200 1.00 0.41 N +ATOM 1257 CA ILE A 86 -1.727 9.654 -0.602 1.00 0.40 C +ATOM 1258 C ILE A 86 -0.610 10.583 -0.118 1.00 0.44 C +ATOM 1259 O ILE A 86 -0.489 11.706 -0.564 1.00 0.59 O +ATOM 1260 CB ILE A 86 -1.665 9.540 -2.126 1.00 0.38 C +ATOM 1261 CG1 ILE A 86 -2.821 8.668 -2.620 1.00 0.74 C +ATOM 1262 CG2 ILE A 86 -0.331 8.915 -2.540 1.00 0.93 C +ATOM 1263 CD1 ILE A 86 -2.613 7.223 -2.166 1.00 0.32 C +ATOM 1264 H01 ILE A 86 -2.456 6.587 -3.037 1.00 0.32 H +ATOM 1265 H02 ILE A 86 -3.316 10.946 -0.840 1.00 0.41 H +ATOM 1266 H03 ILE A 86 -1.599 8.668 -0.155 1.00 0.40 H +ATOM 1267 H04 ILE A 86 -1.748 10.533 -2.569 1.00 0.38 H +ATOM 1268 H05 ILE A 86 -2.862 8.703 -3.709 1.00 0.74 H +ATOM 1269 H06 ILE A 86 -0.044 9.288 -3.523 1.00 0.93 H +ATOM 1270 H07 ILE A 86 -3.493 6.883 -1.621 1.00 0.32 H +ATOM 1271 H08 ILE A 86 -2.989 10.585 0.736 1.00 0.41 H +ATOM 1272 H09 ILE A 86 -3.756 9.043 -2.205 1.00 0.74 H +ATOM 1273 H10 ILE A 86 -0.434 7.831 -2.578 1.00 0.93 H +ATOM 1274 H11 ILE A 86 -1.740 7.169 -1.516 1.00 0.32 H +ATOM 1275 H12 ILE A 86 0.436 9.181 -1.812 1.00 0.93 H +ATOM 1276 N ILE A 87 0.212 10.123 0.786 1.00 0.39 N +ATOM 1277 CA ILE A 87 1.322 10.982 1.287 1.00 0.44 C +ATOM 1278 C ILE A 87 2.659 10.368 0.860 1.00 0.44 C +ATOM 1279 O ILE A 87 3.132 9.413 1.442 1.00 0.55 O +ATOM 1280 CB ILE A 87 1.247 11.073 2.813 1.00 0.46 C +ATOM 1281 CG1 ILE A 87 0.091 11.995 3.208 1.00 0.57 C +ATOM 1282 CG2 ILE A 87 2.556 11.640 3.362 1.00 0.55 C +ATOM 1283 CD1 ILE A 87 -0.237 11.800 4.689 1.00 0.61 C +ATOM 1284 H01 ILE A 87 -0.085 12.739 5.222 1.00 0.61 H +ATOM 1285 H02 ILE A 87 0.096 9.186 1.145 1.00 0.39 H +ATOM 1286 H03 ILE A 87 1.236 11.985 0.869 1.00 0.44 H +ATOM 1287 H04 ILE A 87 1.084 10.078 3.227 1.00 0.46 H +ATOM 1288 H05 ILE A 87 -0.786 11.756 2.607 1.00 0.57 H +ATOM 1289 H06 ILE A 87 2.912 11.010 4.177 1.00 0.55 H +ATOM 1290 H07 ILE A 87 0.415 11.034 5.108 1.00 0.61 H +ATOM 1291 H08 ILE A 87 0.379 13.032 3.035 1.00 0.57 H +ATOM 1292 H09 ILE A 87 2.388 12.652 3.731 1.00 0.55 H +ATOM 1293 H10 ILE A 87 -1.276 11.488 4.792 1.00 0.61 H +ATOM 1294 H11 ILE A 87 3.303 11.663 2.568 1.00 0.55 H +ATOM 1295 N LEU A 88 3.259 10.902 -0.170 1.00 0.50 N +ATOM 1296 CA LEU A 88 4.552 10.348 -0.662 1.00 0.52 C +ATOM 1297 C LEU A 88 5.728 11.146 -0.093 1.00 0.56 C +ATOM 1298 O LEU A 88 5.984 12.263 -0.495 1.00 0.80 O +ATOM 1299 CB LEU A 88 4.558 10.413 -2.173 1.00 0.59 C +ATOM 1300 CG LEU A 88 3.653 9.297 -2.669 1.00 0.82 C +ATOM 1301 CD1 LEU A 88 2.691 9.851 -3.697 1.00 0.94 C +ATOM 1302 CD2 LEU A 88 4.496 8.193 -3.286 1.00 1.57 C +ATOM 1303 H01 LEU A 88 4.655 8.404 -4.343 1.00 1.57 H +ATOM 1304 H02 LEU A 88 2.844 11.696 -0.636 1.00 0.50 H +ATOM 1305 H03 LEU A 88 4.657 9.314 -0.334 1.00 0.52 H +ATOM 1306 H04 LEU A 88 5.571 10.271 -2.551 1.00 0.59 H +ATOM 1307 H05 LEU A 88 3.087 8.885 -1.833 1.00 0.82 H +ATOM 1308 H06 LEU A 88 2.387 9.055 -4.377 1.00 0.94 H +ATOM 1309 H07 LEU A 88 3.980 7.239 -3.179 1.00 1.57 H +ATOM 1310 H08 LEU A 88 4.206 11.384 -2.522 1.00 0.59 H +ATOM 1311 H09 LEU A 88 3.180 10.645 -4.262 1.00 0.94 H +ATOM 1312 H10 LEU A 88 5.459 8.144 -2.777 1.00 1.57 H +ATOM 1313 H11 LEU A 88 1.812 10.253 -3.192 1.00 0.94 H +ATOM 1314 N SER A 89 6.445 10.581 0.841 1.00 0.55 N +ATOM 1315 CA SER A 89 7.604 11.308 1.435 1.00 0.62 C +ATOM 1316 C SER A 89 8.908 10.659 0.968 1.00 0.85 C +ATOM 1317 O SER A 89 8.935 9.445 0.852 1.00 1.41 O +ATOM 1318 CB SER A 89 7.520 11.241 2.961 1.00 0.87 C +ATOM 1319 OG SER A 89 7.246 12.538 3.473 1.00 1.64 O +ATOM 1320 OXT SER A 89 9.859 11.388 0.735 1.00 1.52 O1- +ATOM 1321 H01 SER A 89 7.274 13.178 2.758 1.00 1.64 H +ATOM 1322 H02 SER A 89 6.215 9.651 1.161 1.00 0.55 H +ATOM 1323 H03 SER A 89 7.582 12.350 1.115 1.00 0.62 H +ATOM 1324 H04 SER A 89 8.467 10.882 3.363 1.00 0.87 H +ATOM 1325 H05 SER A 89 6.723 10.557 3.253 1.00 0.87 H +END diff --git a/data/1bta.pdb b/data/1bta.pdb new file mode 100644 index 0000000..c61e5a0 --- /dev/null +++ b/data/1bta.pdb @@ -0,0 +1,1580 @@ +HEADER RIBONUCLEASE INHIBITOR 09-MAY-94 1BTA +TITLE THREE-DIMENSIONAL SOLUTION STRUCTURE AND 13C ASSIGNMENTS OF +TITLE 2 BARSTAR USING NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: BARSTAR; +COMPND 3 CHAIN: A; +COMPND 4 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS AMYLOLIQUEFACIENS; +SOURCE 3 ORGANISM_TAXID: 1390 +KEYWDS RIBONUCLEASE INHIBITOR +EXPDTA SOLUTION NMR +AUTHOR M.J.LUBIENSKI,M.BYCROFT,S.M.V.FREUND,A.R.FERSHT +REVDAT 2 24-FEB-09 1BTA 1 VERSN +REVDAT 1 31-JUL-94 1BTA 0 +JRNL AUTH M.J.LUBIENSKI,M.BYCROFT,S.M.FREUND,A.R.FERSHT +JRNL TITL THREE-DIMENSIONAL SOLUTION STRUCTURE AND 13C +JRNL TITL 2 ASSIGNMENTS OF BARSTAR USING NUCLEAR MAGNETIC +JRNL TITL 3 RESONANCE SPECTROSCOPY. +JRNL REF BIOCHEMISTRY V. 33 8866 1994 +JRNL REFN ISSN 0006-2960 +JRNL PMID 8043574 +JRNL DOI 10.1021/BI00196A003 +REMARK 1 +REMARK 1 REFERENCE 1 +REMARK 1 AUTH R.W.HARTLEY +REMARK 1 TITL BARNASE AND BARSTAR: TWO SMALL PROTEINS TO FOLD +REMARK 1 TITL 2 AND FIT TOGETHER +REMARK 1 REF TRENDS BIOCHEM.SCI. V. 14 450 1989 +REMARK 1 REFN ISSN 0968-0004 +REMARK 2 +REMARK 2 RESOLUTION. NOT APPLICABLE. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : X-PLOR +REMARK 3 AUTHORS : BRUNGER +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: NULL +REMARK 4 +REMARK 4 1BTA COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. +REMARK 210 +REMARK 210 EXPERIMENTAL DETAILS +REMARK 210 EXPERIMENT TYPE : NMR +REMARK 210 TEMPERATURE (KELVIN) : NULL +REMARK 210 PH : NULL +REMARK 210 IONIC STRENGTH : NULL +REMARK 210 PRESSURE : NULL +REMARK 210 SAMPLE CONTENTS : NULL +REMARK 210 +REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL +REMARK 210 SPECTROMETER FIELD STRENGTH : NULL +REMARK 210 SPECTROMETER MODEL : NULL +REMARK 210 SPECTROMETER MANUFACTURER : NULL +REMARK 210 +REMARK 210 STRUCTURE DETERMINATION. +REMARK 210 SOFTWARE USED : NULL +REMARK 210 METHOD USED : NULL +REMARK 210 +REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL +REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 +REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL +REMARK 210 +REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL +REMARK 210 +REMARK 210 REMARK: NULL +REMARK 215 +REMARK 215 NMR STUDY +REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION +REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT +REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON +REMARK 215 THESE RECORDS ARE MEANINGLESS. +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 PRO A 27 -179.66 -57.36 +REMARK 500 TYR A 30 105.85 -38.41 +REMARK 500 GLU A 32 3.60 50.07 +REMARK 500 TRP A 44 -66.63 177.13 +REMARK 500 LEU A 62 -32.03 -33.51 +REMARK 500 GLU A 64 106.99 -12.37 +REMARK 500 ASN A 65 32.13 73.69 +REMARK 500 ASP A 83 65.33 -109.29 +REMARK 500 THR A 85 98.90 -52.92 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: PLANAR GROUPS +REMARK 500 +REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL +REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE +REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN +REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS +REMARK 500 AN RMSD GREATER THAN THIS VALUE +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 M RES CSSEQI RMS TYPE +REMARK 500 ARG A 11 0.17 SIDE_CHAIN +REMARK 500 ARG A 54 0.31 SIDE_CHAIN +REMARK 500 ARG A 75 0.11 SIDE_CHAIN +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: 1BTB RELATED DB: PDB +DBREF 1BTA A 1 89 UNP P11540 BARS_BACAM 1 89 +SEQRES 1 A 89 LYS LYS ALA VAL ILE ASN GLY GLU GLN ILE ARG SER ILE +SEQRES 2 A 89 SER ASP LEU HIS GLN THR LEU LYS LYS GLU LEU ALA LEU +SEQRES 3 A 89 PRO GLU TYR TYR GLY GLU ASN LEU ASP ALA LEU TRP ASP +SEQRES 4 A 89 CYS LEU THR GLY TRP VAL GLU TYR PRO LEU VAL LEU GLU +SEQRES 5 A 89 TRP ARG GLN PHE GLU GLN SER LYS GLN LEU THR GLU ASN +SEQRES 6 A 89 GLY ALA GLU SER VAL LEU GLN VAL PHE ARG GLU ALA LYS +SEQRES 7 A 89 ALA GLU GLY CYS ASP ILE THR ILE ILE LEU SER +HELIX 1 H1 SER A 14 ALA A 25 1 12 +HELIX 2 H2 ASN A 33 GLY A 43 1 11 +HELIX 3 H3 PHE A 56 THR A 63 1 8 +HELIX 4 H4 GLU A 68 GLY A 81 1 14 +SHEET 1 SH1 3 LYS A 1 ASN A 6 0 +SHEET 2 SH1 3 LEU A 49 ARG A 54 1 +SHEET 3 SH1 3 ASP A 83 SER A 89 1 +CISPEP 1 TYR A 47 PRO A 48 0 0.92 +CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 1.000000 0.000000 0.000000 0.00000 +SCALE2 0.000000 1.000000 0.000000 0.00000 +SCALE3 0.000000 0.000000 1.000000 0.00000 +ATOM 1 N LYS A 1 -8.655 5.770 8.371 1.00 1.40 N +ATOM 2 CA LYS A 1 -7.542 5.187 9.163 1.00 0.52 C +ATOM 3 C LYS A 1 -6.210 5.619 8.561 1.00 0.39 C +ATOM 4 O LYS A 1 -6.156 6.468 7.693 1.00 0.33 O +ATOM 5 CB LYS A 1 -7.641 3.666 9.159 1.00 1.53 C +ATOM 6 CG LYS A 1 -7.750 3.179 10.602 1.00 2.38 C +ATOM 7 CD LYS A 1 -9.158 3.466 11.126 1.00 3.11 C +ATOM 8 CE LYS A 1 -9.145 4.744 11.965 1.00 3.58 C +ATOM 9 NZ LYS A 1 -9.497 4.416 13.375 1.00 4.21 N +ATOM 10 H1 LYS A 1 -8.409 6.745 8.105 1.00 1.94 H +ATOM 11 H2 LYS A 1 -8.809 5.202 7.514 1.00 2.04 H +ATOM 12 H3 LYS A 1 -9.523 5.775 8.942 1.00 1.89 H +ATOM 13 HA LYS A 1 -7.604 5.545 10.180 1.00 1.19 H +ATOM 14 HB2 LYS A 1 -8.516 3.361 8.603 1.00 1.84 H +ATOM 15 HB3 LYS A 1 -6.756 3.246 8.705 1.00 2.02 H +ATOM 16 HG2 LYS A 1 -7.558 2.117 10.640 1.00 2.57 H +ATOM 17 HG3 LYS A 1 -7.025 3.703 11.212 1.00 2.64 H +ATOM 18 HD2 LYS A 1 -9.833 3.592 10.290 1.00 3.38 H +ATOM 19 HD3 LYS A 1 -9.491 2.640 11.735 1.00 3.41 H +ATOM 20 HE2 LYS A 1 -8.160 5.186 11.934 1.00 3.84 H +ATOM 21 HE3 LYS A 1 -9.866 5.442 11.568 1.00 3.71 H +ATOM 22 HZ1 LYS A 1 -9.394 3.393 13.530 1.00 4.40 H +ATOM 23 HZ2 LYS A 1 -8.864 4.932 14.019 1.00 4.64 H +ATOM 24 HZ3 LYS A 1 -10.481 4.694 13.559 1.00 4.45 H +ATOM 25 N LYS A 2 -5.128 5.066 9.028 1.00 0.51 N +ATOM 26 CA LYS A 2 -3.813 5.485 8.490 1.00 0.44 C +ATOM 27 C LYS A 2 -2.931 4.277 8.172 1.00 0.41 C +ATOM 28 O LYS A 2 -3.040 3.218 8.757 1.00 0.58 O +ATOM 29 CB LYS A 2 -3.138 6.383 9.534 1.00 0.63 C +ATOM 30 CG LYS A 2 -1.624 6.134 9.604 1.00 1.04 C +ATOM 31 CD LYS A 2 -0.967 7.224 10.453 1.00 0.93 C +ATOM 32 CE LYS A 2 0.116 7.929 9.634 1.00 0.63 C +ATOM 33 NZ LYS A 2 1.057 8.630 10.551 1.00 1.43 N +ATOM 34 H LYS A 2 -5.180 4.399 9.744 1.00 0.70 H +ATOM 35 HA LYS A 2 -3.967 6.055 7.587 1.00 0.38 H +ATOM 36 HB2 LYS A 2 -3.311 7.411 9.268 1.00 1.42 H +ATOM 37 HB3 LYS A 2 -3.580 6.180 10.499 1.00 1.18 H +ATOM 38 HG2 LYS A 2 -1.438 5.168 10.051 1.00 1.70 H +ATOM 39 HG3 LYS A 2 -1.208 6.157 8.608 1.00 1.84 H +ATOM 40 HD2 LYS A 2 -1.716 7.942 10.757 1.00 1.28 H +ATOM 41 HD3 LYS A 2 -0.521 6.777 11.329 1.00 1.30 H +ATOM 42 HE2 LYS A 2 0.660 7.199 9.052 1.00 1.03 H +ATOM 43 HE3 LYS A 2 -0.343 8.648 8.971 1.00 0.93 H +ATOM 44 HZ1 LYS A 2 0.538 8.961 11.391 1.00 1.83 H +ATOM 45 HZ2 LYS A 2 1.809 7.974 10.844 1.00 1.98 H +ATOM 46 HZ3 LYS A 2 1.480 9.442 10.061 1.00 1.99 H +ATOM 47 N ALA A 3 -2.040 4.474 7.250 1.00 0.27 N +ATOM 48 CA ALA A 3 -1.086 3.403 6.848 1.00 0.30 C +ATOM 49 C ALA A 3 0.316 4.013 6.751 1.00 0.30 C +ATOM 50 O ALA A 3 0.469 5.207 6.586 1.00 0.54 O +ATOM 51 CB ALA A 3 -1.491 2.834 5.486 1.00 0.34 C +ATOM 52 H ALA A 3 -1.991 5.353 6.827 1.00 0.25 H +ATOM 53 HA ALA A 3 -1.088 2.618 7.589 1.00 0.34 H +ATOM 54 HB1 ALA A 3 -2.257 3.457 5.050 1.00 1.08 H +ATOM 55 HB2 ALA A 3 -0.630 2.813 4.834 1.00 1.05 H +ATOM 56 HB3 ALA A 3 -1.871 1.831 5.612 1.00 1.07 H +ATOM 57 N VAL A 4 1.342 3.214 6.860 1.00 0.30 N +ATOM 58 CA VAL A 4 2.725 3.769 6.780 1.00 0.27 C +ATOM 59 C VAL A 4 3.643 2.773 6.074 1.00 0.26 C +ATOM 60 O VAL A 4 3.842 1.667 6.535 1.00 0.33 O +ATOM 61 CB VAL A 4 3.250 4.021 8.194 1.00 0.30 C +ATOM 62 CG1 VAL A 4 4.617 4.709 8.122 1.00 0.35 C +ATOM 63 CG2 VAL A 4 2.262 4.915 8.946 1.00 0.35 C +ATOM 64 H VAL A 4 1.206 2.255 6.999 1.00 0.50 H +ATOM 65 HA VAL A 4 2.710 4.699 6.231 1.00 0.27 H +ATOM 66 HB VAL A 4 3.351 3.078 8.712 1.00 0.32 H +ATOM 67 HG11 VAL A 4 4.554 5.568 7.472 1.00 1.08 H +ATOM 68 HG12 VAL A 4 4.912 5.026 9.111 1.00 1.02 H +ATOM 69 HG13 VAL A 4 5.350 4.015 7.733 1.00 1.13 H +ATOM 70 HG21 VAL A 4 1.782 5.587 8.250 1.00 1.05 H +ATOM 71 HG22 VAL A 4 1.514 4.300 9.425 1.00 0.98 H +ATOM 72 HG23 VAL A 4 2.791 5.488 9.694 1.00 1.11 H +ATOM 73 N ILE A 5 4.210 3.153 4.961 1.00 0.23 N +ATOM 74 CA ILE A 5 5.117 2.213 4.245 1.00 0.23 C +ATOM 75 C ILE A 5 6.570 2.567 4.552 1.00 0.25 C +ATOM 76 O ILE A 5 7.176 3.388 3.893 1.00 0.27 O +ATOM 77 CB ILE A 5 4.879 2.300 2.742 1.00 0.23 C +ATOM 78 CG1 ILE A 5 3.360 2.231 2.478 1.00 0.23 C +ATOM 79 CG2 ILE A 5 5.620 1.142 2.061 1.00 0.24 C +ATOM 80 CD1 ILE A 5 3.034 1.246 1.346 1.00 0.22 C +ATOM 81 H ILE A 5 4.044 4.052 4.602 1.00 0.24 H +ATOM 82 HA ILE A 5 4.920 1.205 4.580 1.00 0.23 H +ATOM 83 HB ILE A 5 5.268 3.239 2.372 1.00 0.25 H +ATOM 84 HG12 ILE A 5 2.860 1.912 3.380 1.00 0.25 H +ATOM 85 HG13 ILE A 5 3.005 3.214 2.207 1.00 0.27 H +ATOM 86 HG21 ILE A 5 6.584 1.008 2.531 1.00 1.02 H +ATOM 87 HG22 ILE A 5 5.042 0.236 2.162 1.00 1.06 H +ATOM 88 HG23 ILE A 5 5.758 1.366 1.015 1.00 1.03 H +ATOM 89 HD11 ILE A 5 3.776 1.335 0.567 1.00 1.05 H +ATOM 90 HD12 ILE A 5 3.039 0.238 1.736 1.00 1.01 H +ATOM 91 HD13 ILE A 5 2.058 1.473 0.942 1.00 1.05 H +ATOM 92 N ASN A 6 7.134 1.947 5.547 1.00 0.27 N +ATOM 93 CA ASN A 6 8.545 2.232 5.905 1.00 0.31 C +ATOM 94 C ASN A 6 9.466 1.399 5.009 1.00 0.31 C +ATOM 95 O ASN A 6 9.611 0.207 5.189 1.00 0.35 O +ATOM 96 CB ASN A 6 8.759 1.859 7.370 1.00 0.37 C +ATOM 97 CG ASN A 6 8.067 2.890 8.264 1.00 0.65 C +ATOM 98 OD1 ASN A 6 7.534 3.869 7.782 1.00 1.48 O +ATOM 99 ND2 ASN A 6 8.054 2.711 9.557 1.00 1.13 N +ATOM 100 H ASN A 6 6.628 1.287 6.062 1.00 0.28 H +ATOM 101 HA ASN A 6 8.751 3.283 5.764 1.00 0.32 H +ATOM 102 HB2 ASN A 6 8.338 0.881 7.556 1.00 0.46 H +ATOM 103 HB3 ASN A 6 9.810 1.847 7.587 1.00 0.35 H +ATOM 104 HD21 ASN A 6 8.484 1.922 9.947 1.00 1.84 H +ATOM 105 HD22 ASN A 6 7.613 3.366 10.138 1.00 1.23 H +ATOM 106 N GLY A 7 10.078 2.017 4.035 1.00 0.33 N +ATOM 107 CA GLY A 7 10.976 1.261 3.114 1.00 0.36 C +ATOM 108 C GLY A 7 12.182 0.718 3.879 1.00 0.35 C +ATOM 109 O GLY A 7 12.583 -0.414 3.694 1.00 0.46 O +ATOM 110 H GLY A 7 9.938 2.978 3.900 1.00 0.36 H +ATOM 111 HA2 GLY A 7 10.428 0.436 2.685 1.00 0.39 H +ATOM 112 HA3 GLY A 7 11.318 1.915 2.327 1.00 0.41 H +ATOM 113 N GLU A 8 12.767 1.509 4.735 1.00 0.38 N +ATOM 114 CA GLU A 8 13.946 1.022 5.505 1.00 0.43 C +ATOM 115 C GLU A 8 13.659 -0.390 6.019 1.00 0.39 C +ATOM 116 O GLU A 8 14.559 -1.170 6.260 1.00 0.45 O +ATOM 117 CB GLU A 8 14.207 1.950 6.696 1.00 0.53 C +ATOM 118 CG GLU A 8 14.064 3.409 6.256 1.00 1.39 C +ATOM 119 CD GLU A 8 14.660 4.324 7.328 1.00 1.74 C +ATOM 120 OE1 GLU A 8 14.225 4.232 8.464 1.00 2.30 O +ATOM 121 OE2 GLU A 8 15.540 5.100 6.994 1.00 2.19 O +ATOM 122 H GLU A 8 12.430 2.419 4.873 1.00 0.47 H +ATOM 123 HA GLU A 8 14.814 1.003 4.863 1.00 0.46 H +ATOM 124 HB2 GLU A 8 13.494 1.739 7.479 1.00 1.12 H +ATOM 125 HB3 GLU A 8 15.208 1.785 7.067 1.00 1.14 H +ATOM 126 HG2 GLU A 8 14.587 3.557 5.322 1.00 2.04 H +ATOM 127 HG3 GLU A 8 13.019 3.645 6.127 1.00 2.01 H +ATOM 128 N GLN A 9 12.408 -0.720 6.195 1.00 0.35 N +ATOM 129 CA GLN A 9 12.051 -2.069 6.699 1.00 0.38 C +ATOM 130 C GLN A 9 11.745 -3.001 5.523 1.00 0.35 C +ATOM 131 O GLN A 9 12.213 -4.121 5.468 1.00 0.40 O +ATOM 132 CB GLN A 9 10.811 -1.937 7.578 1.00 0.43 C +ATOM 133 CG GLN A 9 11.027 -0.819 8.600 1.00 0.50 C +ATOM 134 CD GLN A 9 11.790 -1.365 9.805 1.00 1.06 C +ATOM 135 OE1 GLN A 9 12.979 -1.155 9.931 1.00 1.97 O +ATOM 136 NE2 GLN A 9 11.151 -2.059 10.705 1.00 1.49 N +ATOM 137 H GLN A 9 11.697 -0.075 6.004 1.00 0.34 H +ATOM 138 HA GLN A 9 12.865 -2.469 7.278 1.00 0.42 H +ATOM 139 HB2 GLN A 9 9.964 -1.691 6.955 1.00 0.41 H +ATOM 140 HB3 GLN A 9 10.628 -2.868 8.092 1.00 0.49 H +ATOM 141 HG2 GLN A 9 11.597 -0.022 8.145 1.00 0.88 H +ATOM 142 HG3 GLN A 9 10.071 -0.437 8.923 1.00 0.84 H +ATOM 143 HE21 GLN A 9 10.190 -2.227 10.605 1.00 1.89 H +ATOM 144 HE22 GLN A 9 11.631 -2.412 11.483 1.00 1.96 H +ATOM 145 N ILE A 10 10.952 -2.550 4.591 1.00 0.32 N +ATOM 146 CA ILE A 10 10.597 -3.408 3.424 1.00 0.34 C +ATOM 147 C ILE A 10 11.825 -4.171 2.934 1.00 0.31 C +ATOM 148 O ILE A 10 12.893 -3.617 2.765 1.00 0.35 O +ATOM 149 CB ILE A 10 10.059 -2.546 2.281 1.00 0.37 C +ATOM 150 CG1 ILE A 10 8.683 -2.005 2.655 1.00 0.51 C +ATOM 151 CG2 ILE A 10 9.933 -3.402 1.018 1.00 0.35 C +ATOM 152 CD1 ILE A 10 7.689 -3.158 2.715 1.00 0.78 C +ATOM 153 H ILE A 10 10.579 -1.650 4.664 1.00 0.32 H +ATOM 154 HA ILE A 10 9.838 -4.114 3.723 1.00 0.41 H +ATOM 155 HB ILE A 10 10.735 -1.725 2.095 1.00 0.39 H +ATOM 156 HG12 ILE A 10 8.735 -1.522 3.618 1.00 1.17 H +ATOM 157 HG13 ILE A 10 8.360 -1.296 1.909 1.00 1.20 H +ATOM 158 HG21 ILE A 10 9.793 -4.438 1.298 1.00 1.04 H +ATOM 159 HG22 ILE A 10 9.083 -3.068 0.441 1.00 1.05 H +ATOM 160 HG23 ILE A 10 10.831 -3.305 0.428 1.00 1.04 H +ATOM 161 HD11 ILE A 10 7.647 -3.649 1.751 1.00 1.35 H +ATOM 162 HD12 ILE A 10 8.005 -3.863 3.468 1.00 1.43 H +ATOM 163 HD13 ILE A 10 6.713 -2.774 2.970 1.00 1.54 H +ATOM 164 N ARG A 11 11.668 -5.440 2.692 1.00 0.33 N +ATOM 165 CA ARG A 11 12.794 -6.261 2.200 1.00 0.37 C +ATOM 166 C ARG A 11 12.423 -6.834 0.830 1.00 0.39 C +ATOM 167 O ARG A 11 13.251 -7.368 0.120 1.00 0.48 O +ATOM 168 CB ARG A 11 13.035 -7.400 3.184 1.00 0.50 C +ATOM 169 CG ARG A 11 13.677 -6.844 4.458 1.00 0.57 C +ATOM 170 CD ARG A 11 15.105 -7.376 4.589 1.00 1.27 C +ATOM 171 NE ARG A 11 15.489 -7.404 6.030 1.00 1.87 N +ATOM 172 CZ ARG A 11 16.544 -8.065 6.417 1.00 2.53 C +ATOM 173 NH1 ARG A 11 16.881 -9.170 5.815 1.00 3.26 N +ATOM 174 NH2 ARG A 11 17.261 -7.620 7.412 1.00 2.99 N +ATOM 175 H ARG A 11 10.797 -5.858 2.830 1.00 0.36 H +ATOM 176 HA ARG A 11 13.684 -5.654 2.117 1.00 0.37 H +ATOM 177 HB2 ARG A 11 12.092 -7.867 3.429 1.00 0.56 H +ATOM 178 HB3 ARG A 11 13.687 -8.122 2.738 1.00 0.55 H +ATOM 179 HG2 ARG A 11 13.698 -5.765 4.408 1.00 0.94 H +ATOM 180 HG3 ARG A 11 13.100 -7.153 5.317 1.00 0.87 H +ATOM 181 HD2 ARG A 11 15.156 -8.374 4.183 1.00 1.84 H +ATOM 182 HD3 ARG A 11 15.781 -6.731 4.046 1.00 1.87 H +ATOM 183 HE ARG A 11 14.946 -6.924 6.690 1.00 2.29 H +ATOM 184 HH11 ARG A 11 16.331 -9.515 5.056 1.00 3.46 H +ATOM 185 HH12 ARG A 11 17.690 -9.677 6.115 1.00 3.88 H +ATOM 186 HH21 ARG A 11 17.000 -6.773 7.874 1.00 3.03 H +ATOM 187 HH22 ARG A 11 18.069 -8.126 7.711 1.00 3.64 H +ATOM 188 N SER A 12 11.174 -6.725 0.458 1.00 0.37 N +ATOM 189 CA SER A 12 10.732 -7.258 -0.860 1.00 0.45 C +ATOM 190 C SER A 12 9.270 -6.869 -1.096 1.00 0.42 C +ATOM 191 O SER A 12 8.619 -6.289 -0.242 1.00 0.37 O +ATOM 192 CB SER A 12 10.862 -8.781 -0.865 1.00 0.56 C +ATOM 193 OG SER A 12 11.282 -9.221 0.419 1.00 1.44 O +ATOM 194 H SER A 12 10.524 -6.290 1.047 1.00 0.35 H +ATOM 195 HA SER A 12 11.348 -6.840 -1.643 1.00 0.48 H +ATOM 196 HB2 SER A 12 9.908 -9.225 -1.097 1.00 1.21 H +ATOM 197 HB3 SER A 12 11.585 -9.077 -1.613 1.00 1.13 H +ATOM 198 HG SER A 12 11.282 -10.182 0.418 1.00 1.77 H +ATOM 199 N ILE A 13 8.741 -7.185 -2.245 1.00 0.47 N +ATOM 200 CA ILE A 13 7.324 -6.831 -2.520 1.00 0.46 C +ATOM 201 C ILE A 13 6.445 -7.446 -1.435 1.00 0.41 C +ATOM 202 O ILE A 13 5.579 -6.799 -0.887 1.00 0.36 O +ATOM 203 CB ILE A 13 6.908 -7.370 -3.892 1.00 0.56 C +ATOM 204 CG1 ILE A 13 5.570 -6.749 -4.313 1.00 0.63 C +ATOM 205 CG2 ILE A 13 6.753 -8.888 -3.812 1.00 0.64 C +ATOM 206 CD1 ILE A 13 5.564 -5.246 -4.010 1.00 0.57 C +ATOM 207 H ILE A 13 9.272 -7.656 -2.921 1.00 0.52 H +ATOM 208 HA ILE A 13 7.218 -5.757 -2.502 1.00 0.43 H +ATOM 209 HB ILE A 13 7.666 -7.126 -4.620 1.00 0.56 H +ATOM 210 HG12 ILE A 13 5.423 -6.902 -5.372 1.00 0.75 H +ATOM 211 HG13 ILE A 13 4.772 -7.226 -3.768 1.00 0.66 H +ATOM 212 HG21 ILE A 13 7.675 -9.325 -3.457 1.00 1.21 H +ATOM 213 HG22 ILE A 13 5.953 -9.131 -3.129 1.00 1.28 H +ATOM 214 HG23 ILE A 13 6.522 -9.279 -4.792 1.00 1.15 H +ATOM 215 HD11 ILE A 13 6.577 -4.869 -4.027 1.00 1.10 H +ATOM 216 HD12 ILE A 13 4.976 -4.730 -4.755 1.00 1.16 H +ATOM 217 HD13 ILE A 13 5.135 -5.077 -3.032 1.00 1.10 H +ATOM 218 N SER A 14 6.669 -8.690 -1.109 1.00 0.46 N +ATOM 219 CA SER A 14 5.851 -9.332 -0.047 1.00 0.44 C +ATOM 220 C SER A 14 5.859 -8.424 1.179 1.00 0.37 C +ATOM 221 O SER A 14 4.837 -8.162 1.781 1.00 0.35 O +ATOM 222 CB SER A 14 6.453 -10.689 0.312 1.00 0.50 C +ATOM 223 OG SER A 14 5.481 -11.469 0.996 1.00 1.07 O +ATOM 224 H SER A 14 7.381 -9.195 -1.556 1.00 0.51 H +ATOM 225 HA SER A 14 4.837 -9.463 -0.397 1.00 0.44 H +ATOM 226 HB2 SER A 14 6.749 -11.201 -0.588 1.00 0.80 H +ATOM 227 HB3 SER A 14 7.320 -10.541 0.942 1.00 0.85 H +ATOM 228 HG SER A 14 5.314 -12.257 0.474 1.00 1.49 H +ATOM 229 N ASP A 15 7.009 -7.928 1.541 1.00 0.34 N +ATOM 230 CA ASP A 15 7.097 -7.021 2.709 1.00 0.30 C +ATOM 231 C ASP A 15 6.187 -5.819 2.475 1.00 0.24 C +ATOM 232 O ASP A 15 5.470 -5.386 3.353 1.00 0.23 O +ATOM 233 CB ASP A 15 8.536 -6.538 2.871 1.00 0.30 C +ATOM 234 CG ASP A 15 9.056 -6.939 4.254 1.00 0.33 C +ATOM 235 OD1 ASP A 15 8.483 -7.843 4.840 1.00 1.17 O +ATOM 236 OD2 ASP A 15 10.015 -6.335 4.705 1.00 1.08 O +ATOM 237 H ASP A 15 7.814 -8.144 1.036 1.00 0.37 H +ATOM 238 HA ASP A 15 6.789 -7.548 3.594 1.00 0.31 H +ATOM 239 HB2 ASP A 15 9.154 -6.988 2.107 1.00 0.33 H +ATOM 240 HB3 ASP A 15 8.564 -5.466 2.769 1.00 0.27 H +ATOM 241 N LEU A 16 6.211 -5.283 1.288 1.00 0.25 N +ATOM 242 CA LEU A 16 5.347 -4.111 0.980 1.00 0.23 C +ATOM 243 C LEU A 16 3.898 -4.464 1.298 1.00 0.22 C +ATOM 244 O LEU A 16 3.233 -3.804 2.073 1.00 0.21 O +ATOM 245 CB LEU A 16 5.470 -3.779 -0.505 1.00 0.28 C +ATOM 246 CG LEU A 16 4.802 -2.436 -0.784 1.00 0.31 C +ATOM 247 CD1 LEU A 16 5.341 -1.386 0.188 1.00 0.31 C +ATOM 248 CD2 LEU A 16 5.110 -2.013 -2.219 1.00 0.39 C +ATOM 249 H LEU A 16 6.795 -5.657 0.594 1.00 0.29 H +ATOM 250 HA LEU A 16 5.653 -3.262 1.569 1.00 0.22 H +ATOM 251 HB2 LEU A 16 6.513 -3.728 -0.776 1.00 0.30 H +ATOM 252 HB3 LEU A 16 4.984 -4.548 -1.086 1.00 0.33 H +ATOM 253 HG LEU A 16 3.733 -2.532 -0.656 1.00 0.39 H +ATOM 254 HD11 LEU A 16 6.331 -1.669 0.511 1.00 0.98 H +ATOM 255 HD12 LEU A 16 5.383 -0.427 -0.306 1.00 1.09 H +ATOM 256 HD13 LEU A 16 4.687 -1.320 1.045 1.00 1.09 H +ATOM 257 HD21 LEU A 16 5.742 -2.755 -2.684 1.00 1.05 H +ATOM 258 HD22 LEU A 16 4.189 -1.926 -2.775 1.00 1.10 H +ATOM 259 HD23 LEU A 16 5.619 -1.061 -2.212 1.00 0.97 H +ATOM 260 N HIS A 17 3.413 -5.509 0.701 1.00 0.22 N +ATOM 261 CA HIS A 17 2.018 -5.941 0.944 1.00 0.22 C +ATOM 262 C HIS A 17 1.874 -6.363 2.405 1.00 0.19 C +ATOM 263 O HIS A 17 0.786 -6.432 2.941 1.00 0.19 O +ATOM 264 CB HIS A 17 1.715 -7.120 0.024 1.00 0.26 C +ATOM 265 CG HIS A 17 1.994 -6.716 -1.397 1.00 0.32 C +ATOM 266 ND1 HIS A 17 1.294 -5.699 -2.026 1.00 0.38 N +ATOM 267 CD2 HIS A 17 2.895 -7.181 -2.324 1.00 0.40 C +ATOM 268 CE1 HIS A 17 1.779 -5.586 -3.276 1.00 0.44 C +ATOM 269 NE2 HIS A 17 2.756 -6.465 -3.510 1.00 0.45 N +ATOM 270 H HIS A 17 3.974 -6.019 0.089 1.00 0.24 H +ATOM 271 HA HIS A 17 1.341 -5.128 0.729 1.00 0.23 H +ATOM 272 HB2 HIS A 17 2.344 -7.958 0.291 1.00 0.27 H +ATOM 273 HB3 HIS A 17 0.683 -7.400 0.121 1.00 0.27 H +ATOM 274 HD1 HIS A 17 0.576 -5.161 -1.632 1.00 0.43 H +ATOM 275 HD2 HIS A 17 3.605 -7.980 -2.157 1.00 0.48 H +ATOM 276 HE1 HIS A 17 1.419 -4.874 -4.003 1.00 0.53 H +ATOM 277 N GLN A 18 2.969 -6.639 3.055 1.00 0.19 N +ATOM 278 CA GLN A 18 2.905 -7.047 4.475 1.00 0.19 C +ATOM 279 C GLN A 18 2.501 -5.844 5.322 1.00 0.17 C +ATOM 280 O GLN A 18 1.541 -5.888 6.067 1.00 0.18 O +ATOM 281 CB GLN A 18 4.275 -7.553 4.927 1.00 0.21 C +ATOM 282 CG GLN A 18 4.092 -8.654 5.975 1.00 0.55 C +ATOM 283 CD GLN A 18 5.461 -9.139 6.452 1.00 1.31 C +ATOM 284 OE1 GLN A 18 6.390 -8.363 6.557 1.00 2.11 O +ATOM 285 NE2 GLN A 18 5.626 -10.399 6.749 1.00 2.02 N +ATOM 286 H GLN A 18 3.831 -6.574 2.611 1.00 0.21 H +ATOM 287 HA GLN A 18 2.178 -7.830 4.584 1.00 0.20 H +ATOM 288 HB2 GLN A 18 4.811 -7.948 4.076 1.00 0.40 H +ATOM 289 HB3 GLN A 18 4.835 -6.737 5.359 1.00 0.45 H +ATOM 290 HG2 GLN A 18 3.535 -8.262 6.814 1.00 1.27 H +ATOM 291 HG3 GLN A 18 3.552 -9.480 5.538 1.00 1.06 H +ATOM 292 HE21 GLN A 18 4.876 -11.024 6.665 1.00 2.32 H +ATOM 293 HE22 GLN A 18 6.499 -10.719 7.056 1.00 2.67 H +ATOM 294 N THR A 19 3.229 -4.764 5.217 1.00 0.17 N +ATOM 295 CA THR A 19 2.882 -3.573 6.019 1.00 0.17 C +ATOM 296 C THR A 19 1.519 -3.063 5.542 1.00 0.17 C +ATOM 297 O THR A 19 0.682 -2.691 6.328 1.00 0.18 O +ATOM 298 CB THR A 19 3.976 -2.492 5.860 1.00 0.20 C +ATOM 299 OG1 THR A 19 4.593 -2.276 7.121 1.00 0.22 O +ATOM 300 CG2 THR A 19 3.371 -1.165 5.396 1.00 0.21 C +ATOM 301 H THR A 19 3.996 -4.744 4.620 1.00 0.18 H +ATOM 302 HA THR A 19 2.812 -3.861 7.050 1.00 0.18 H +ATOM 303 HB THR A 19 4.713 -2.820 5.143 1.00 0.20 H +ATOM 304 HG1 THR A 19 5.007 -1.410 7.104 1.00 0.99 H +ATOM 305 HG21 THR A 19 2.472 -0.968 5.968 1.00 1.04 H +ATOM 306 HG22 THR A 19 4.082 -0.368 5.556 1.00 1.01 H +ATOM 307 HG23 THR A 19 3.125 -1.228 4.347 1.00 1.05 H +ATOM 308 N LEU A 20 1.286 -3.056 4.258 1.00 0.16 N +ATOM 309 CA LEU A 20 -0.022 -2.590 3.751 1.00 0.18 C +ATOM 310 C LEU A 20 -1.104 -3.472 4.365 1.00 0.17 C +ATOM 311 O LEU A 20 -2.183 -3.040 4.683 1.00 0.24 O +ATOM 312 CB LEU A 20 -0.050 -2.738 2.232 1.00 0.19 C +ATOM 313 CG LEU A 20 0.878 -1.705 1.588 1.00 0.20 C +ATOM 314 CD1 LEU A 20 0.822 -1.851 0.068 1.00 0.23 C +ATOM 315 CD2 LEU A 20 0.434 -0.292 1.981 1.00 0.21 C +ATOM 316 H LEU A 20 1.961 -3.368 3.631 1.00 0.17 H +ATOM 317 HA LEU A 20 -0.175 -1.562 4.026 1.00 0.19 H +ATOM 318 HB2 LEU A 20 0.280 -3.732 1.964 1.00 0.19 H +ATOM 319 HB3 LEU A 20 -1.053 -2.589 1.881 1.00 0.21 H +ATOM 320 HG LEU A 20 1.891 -1.872 1.927 1.00 0.23 H +ATOM 321 HD11 LEU A 20 0.850 -2.898 -0.194 1.00 1.02 H +ATOM 322 HD12 LEU A 20 -0.092 -1.411 -0.300 1.00 1.06 H +ATOM 323 HD13 LEU A 20 1.669 -1.347 -0.374 1.00 1.06 H +ATOM 324 HD21 LEU A 20 -0.443 -0.353 2.607 1.00 0.97 H +ATOM 325 HD22 LEU A 20 1.230 0.195 2.524 1.00 1.06 H +ATOM 326 HD23 LEU A 20 0.204 0.280 1.089 1.00 0.99 H +ATOM 327 N LYS A 21 -0.794 -4.716 4.530 1.00 0.16 N +ATOM 328 CA LYS A 21 -1.760 -5.680 5.122 1.00 0.16 C +ATOM 329 C LYS A 21 -2.011 -5.324 6.586 1.00 0.17 C +ATOM 330 O LYS A 21 -3.123 -5.365 7.059 1.00 0.19 O +ATOM 331 CB LYS A 21 -1.173 -7.088 5.035 1.00 0.17 C +ATOM 332 CG LYS A 21 -2.174 -8.100 5.593 1.00 0.29 C +ATOM 333 CD LYS A 21 -1.414 -9.229 6.292 1.00 0.68 C +ATOM 334 CE LYS A 21 -2.407 -10.255 6.837 1.00 1.26 C +ATOM 335 NZ LYS A 21 -1.733 -11.101 7.860 1.00 1.94 N +ATOM 336 H LYS A 21 0.084 -5.017 4.262 1.00 0.19 H +ATOM 337 HA LYS A 21 -2.690 -5.643 4.575 1.00 0.18 H +ATOM 338 HB2 LYS A 21 -0.957 -7.322 4.005 1.00 0.22 H +ATOM 339 HB3 LYS A 21 -0.261 -7.131 5.612 1.00 0.24 H +ATOM 340 HG2 LYS A 21 -2.827 -7.610 6.300 1.00 0.72 H +ATOM 341 HG3 LYS A 21 -2.760 -8.510 4.784 1.00 0.65 H +ATOM 342 HD2 LYS A 21 -0.753 -9.708 5.583 1.00 1.27 H +ATOM 343 HD3 LYS A 21 -0.834 -8.823 7.107 1.00 1.44 H +ATOM 344 HE2 LYS A 21 -3.244 -9.744 7.288 1.00 1.85 H +ATOM 345 HE3 LYS A 21 -2.759 -10.880 6.029 1.00 1.79 H +ATOM 346 HZ1 LYS A 21 -1.098 -10.512 8.434 1.00 2.47 H +ATOM 347 HZ2 LYS A 21 -2.450 -11.541 8.472 1.00 2.37 H +ATOM 348 HZ3 LYS A 21 -1.180 -11.843 7.387 1.00 2.30 H +ATOM 349 N LYS A 22 -0.991 -4.980 7.317 1.00 0.18 N +ATOM 350 CA LYS A 22 -1.204 -4.631 8.741 1.00 0.20 C +ATOM 351 C LYS A 22 -2.006 -3.335 8.817 1.00 0.23 C +ATOM 352 O LYS A 22 -3.074 -3.277 9.390 1.00 0.29 O +ATOM 353 CB LYS A 22 0.142 -4.442 9.432 1.00 0.22 C +ATOM 354 CG LYS A 22 0.148 -5.278 10.717 1.00 0.83 C +ATOM 355 CD LYS A 22 1.553 -5.339 11.302 1.00 1.43 C +ATOM 356 CE LYS A 22 1.494 -6.033 12.671 1.00 2.18 C +ATOM 357 NZ LYS A 22 2.827 -6.602 13.001 1.00 2.84 N +ATOM 358 H LYS A 22 -0.095 -4.952 6.936 1.00 0.18 H +ATOM 359 HA LYS A 22 -1.748 -5.423 9.220 1.00 0.22 H +ATOM 360 HB2 LYS A 22 0.934 -4.768 8.773 1.00 0.68 H +ATOM 361 HB3 LYS A 22 0.280 -3.398 9.674 1.00 0.64 H +ATOM 362 HG2 LYS A 22 -0.521 -4.833 11.441 1.00 1.59 H +ATOM 363 HG3 LYS A 22 -0.184 -6.279 10.493 1.00 1.50 H +ATOM 364 HD2 LYS A 22 2.192 -5.897 10.635 1.00 1.98 H +ATOM 365 HD3 LYS A 22 1.939 -4.336 11.421 1.00 2.00 H +ATOM 366 HE2 LYS A 22 1.213 -5.318 13.432 1.00 2.61 H +ATOM 367 HE3 LYS A 22 0.765 -6.828 12.640 1.00 2.68 H +ATOM 368 HZ1 LYS A 22 3.561 -5.886 12.835 1.00 3.14 H +ATOM 369 HZ2 LYS A 22 2.841 -6.890 14.002 1.00 3.13 H +ATOM 370 HZ3 LYS A 22 3.008 -7.429 12.400 1.00 3.35 H +ATOM 371 N GLU A 23 -1.495 -2.303 8.219 1.00 0.22 N +ATOM 372 CA GLU A 23 -2.195 -1.004 8.212 1.00 0.26 C +ATOM 373 C GLU A 23 -3.621 -1.224 7.716 1.00 0.24 C +ATOM 374 O GLU A 23 -4.587 -1.066 8.436 1.00 0.27 O +ATOM 375 CB GLU A 23 -1.450 -0.080 7.250 1.00 0.29 C +ATOM 376 CG GLU A 23 -0.006 0.098 7.725 1.00 0.35 C +ATOM 377 CD GLU A 23 0.032 1.057 8.914 1.00 1.53 C +ATOM 378 OE1 GLU A 23 -1.026 1.364 9.438 1.00 2.29 O +ATOM 379 OE2 GLU A 23 1.120 1.471 9.280 1.00 2.27 O +ATOM 380 H GLU A 23 -0.646 -2.387 7.757 1.00 0.21 H +ATOM 381 HA GLU A 23 -2.200 -0.582 9.202 1.00 0.29 H +ATOM 382 HB2 GLU A 23 -1.447 -0.527 6.261 1.00 0.29 H +ATOM 383 HB3 GLU A 23 -1.940 0.879 7.216 1.00 0.29 H +ATOM 384 HG2 GLU A 23 0.394 -0.860 8.022 1.00 0.86 H +ATOM 385 HG3 GLU A 23 0.588 0.501 6.920 1.00 0.89 H +ATOM 386 N LEU A 24 -3.737 -1.599 6.480 1.00 0.23 N +ATOM 387 CA LEU A 24 -5.066 -1.859 5.871 1.00 0.23 C +ATOM 388 C LEU A 24 -5.767 -2.996 6.618 1.00 0.22 C +ATOM 389 O LEU A 24 -6.953 -3.209 6.467 1.00 0.24 O +ATOM 390 CB LEU A 24 -4.848 -2.277 4.418 1.00 0.21 C +ATOM 391 CG LEU A 24 -4.150 -1.150 3.658 1.00 0.25 C +ATOM 392 CD1 LEU A 24 -3.120 -1.750 2.701 1.00 0.20 C +ATOM 393 CD2 LEU A 24 -5.184 -0.352 2.862 1.00 0.40 C +ATOM 394 H LEU A 24 -2.935 -1.716 5.942 1.00 0.24 H +ATOM 395 HA LEU A 24 -5.669 -0.966 5.907 1.00 0.26 H +ATOM 396 HB2 LEU A 24 -4.224 -3.163 4.392 1.00 0.19 H +ATOM 397 HB3 LEU A 24 -5.799 -2.490 3.955 1.00 0.22 H +ATOM 398 HG LEU A 24 -3.651 -0.499 4.362 1.00 0.33 H +ATOM 399 HD11 LEU A 24 -3.097 -2.822 2.826 1.00 1.06 H +ATOM 400 HD12 LEU A 24 -3.391 -1.514 1.684 1.00 1.01 H +ATOM 401 HD13 LEU A 24 -2.144 -1.341 2.922 1.00 1.04 H +ATOM 402 HD21 LEU A 24 -5.924 0.053 3.538 1.00 1.08 H +ATOM 403 HD22 LEU A 24 -4.692 0.457 2.342 1.00 1.14 H +ATOM 404 HD23 LEU A 24 -5.666 -1.000 2.146 1.00 1.09 H +ATOM 405 N ALA A 25 -5.043 -3.736 7.416 1.00 0.21 N +ATOM 406 CA ALA A 25 -5.667 -4.860 8.158 1.00 0.22 C +ATOM 407 C ALA A 25 -6.369 -5.796 7.170 1.00 0.21 C +ATOM 408 O ALA A 25 -7.501 -6.191 7.366 1.00 0.23 O +ATOM 409 CB ALA A 25 -6.670 -4.292 9.152 1.00 0.26 C +ATOM 410 H ALA A 25 -4.088 -3.557 7.525 1.00 0.22 H +ATOM 411 HA ALA A 25 -4.904 -5.408 8.688 1.00 0.23 H +ATOM 412 HB1 ALA A 25 -6.275 -3.373 9.558 1.00 1.01 H +ATOM 413 HB2 ALA A 25 -7.603 -4.092 8.649 1.00 1.00 H +ATOM 414 HB3 ALA A 25 -6.831 -5.002 9.949 1.00 0.98 H +ATOM 415 N LEU A 26 -5.693 -6.152 6.112 1.00 0.21 N +ATOM 416 CA LEU A 26 -6.293 -7.062 5.095 1.00 0.24 C +ATOM 417 C LEU A 26 -6.438 -8.468 5.690 1.00 0.28 C +ATOM 418 O LEU A 26 -5.795 -8.792 6.669 1.00 0.30 O +ATOM 419 CB LEU A 26 -5.371 -7.117 3.872 1.00 0.23 C +ATOM 420 CG LEU A 26 -4.954 -5.697 3.483 1.00 0.21 C +ATOM 421 CD1 LEU A 26 -3.954 -5.751 2.337 1.00 0.26 C +ATOM 422 CD2 LEU A 26 -6.187 -4.909 3.043 1.00 0.23 C +ATOM 423 H LEU A 26 -4.782 -5.822 5.985 1.00 0.22 H +ATOM 424 HA LEU A 26 -7.262 -6.690 4.802 1.00 0.29 H +ATOM 425 HB2 LEU A 26 -4.492 -7.697 4.111 1.00 0.25 H +ATOM 426 HB3 LEU A 26 -5.889 -7.574 3.046 1.00 0.26 H +ATOM 427 HG LEU A 26 -4.491 -5.214 4.323 1.00 0.21 H +ATOM 428 HD11 LEU A 26 -4.013 -6.711 1.862 1.00 0.99 H +ATOM 429 HD12 LEU A 26 -4.183 -4.977 1.621 1.00 1.07 H +ATOM 430 HD13 LEU A 26 -2.958 -5.601 2.726 1.00 1.03 H +ATOM 431 HD21 LEU A 26 -6.656 -5.412 2.210 1.00 1.05 H +ATOM 432 HD22 LEU A 26 -6.885 -4.845 3.865 1.00 0.98 H +ATOM 433 HD23 LEU A 26 -5.891 -3.914 2.744 1.00 1.09 H +ATOM 434 N PRO A 27 -7.280 -9.262 5.077 1.00 0.34 N +ATOM 435 CA PRO A 27 -7.526 -10.643 5.529 1.00 0.41 C +ATOM 436 C PRO A 27 -6.221 -11.438 5.555 1.00 0.39 C +ATOM 437 O PRO A 27 -5.165 -10.932 5.233 1.00 0.31 O +ATOM 438 CB PRO A 27 -8.489 -11.230 4.490 1.00 0.48 C +ATOM 439 CG PRO A 27 -8.880 -10.091 3.514 1.00 0.48 C +ATOM 440 CD PRO A 27 -8.054 -8.852 3.890 1.00 0.38 C +ATOM 441 HA PRO A 27 -7.991 -10.646 6.502 1.00 0.48 H +ATOM 442 HB2 PRO A 27 -7.999 -12.028 3.948 1.00 0.46 H +ATOM 443 HB3 PRO A 27 -9.371 -11.607 4.977 1.00 0.57 H +ATOM 444 HG2 PRO A 27 -8.658 -10.387 2.499 1.00 0.49 H +ATOM 445 HG3 PRO A 27 -9.931 -9.869 3.611 1.00 0.57 H +ATOM 446 HD2 PRO A 27 -7.393 -8.587 3.079 1.00 0.35 H +ATOM 447 HD3 PRO A 27 -8.702 -8.026 4.136 1.00 0.41 H +ATOM 448 N GLU A 28 -6.289 -12.685 5.931 1.00 0.50 N +ATOM 449 CA GLU A 28 -5.058 -13.519 5.972 1.00 0.53 C +ATOM 450 C GLU A 28 -4.729 -13.997 4.558 1.00 0.49 C +ATOM 451 O GLU A 28 -3.622 -14.407 4.273 1.00 0.51 O +ATOM 452 CB GLU A 28 -5.295 -14.732 6.871 1.00 0.67 C +ATOM 453 CG GLU A 28 -5.557 -14.268 8.305 1.00 1.14 C +ATOM 454 CD GLU A 28 -5.237 -15.405 9.276 1.00 1.65 C +ATOM 455 OE1 GLU A 28 -4.380 -16.210 8.953 1.00 2.31 O +ATOM 456 OE2 GLU A 28 -5.856 -15.452 10.327 1.00 2.20 O +ATOM 457 H GLU A 28 -7.153 -13.074 6.182 1.00 0.59 H +ATOM 458 HA GLU A 28 -4.237 -12.935 6.359 1.00 0.52 H +ATOM 459 HB2 GLU A 28 -6.151 -15.284 6.509 1.00 0.81 H +ATOM 460 HB3 GLU A 28 -4.423 -15.368 6.854 1.00 0.84 H +ATOM 461 HG2 GLU A 28 -4.931 -13.416 8.527 1.00 1.61 H +ATOM 462 HG3 GLU A 28 -6.595 -13.989 8.410 1.00 1.59 H +ATOM 463 N TYR A 29 -5.686 -13.952 3.671 1.00 0.47 N +ATOM 464 CA TYR A 29 -5.426 -14.409 2.279 1.00 0.44 C +ATOM 465 C TYR A 29 -5.020 -13.218 1.409 1.00 0.37 C +ATOM 466 O TYR A 29 -4.999 -13.312 0.198 1.00 0.38 O +ATOM 467 CB TYR A 29 -6.686 -15.061 1.704 1.00 0.51 C +ATOM 468 CG TYR A 29 -7.900 -14.250 2.087 1.00 0.66 C +ATOM 469 CD1 TYR A 29 -8.300 -13.171 1.290 1.00 1.29 C +ATOM 470 CD2 TYR A 29 -8.627 -14.579 3.237 1.00 1.53 C +ATOM 471 CE1 TYR A 29 -9.428 -12.421 1.643 1.00 1.43 C +ATOM 472 CE2 TYR A 29 -9.756 -13.829 3.590 1.00 1.75 C +ATOM 473 CZ TYR A 29 -10.156 -12.750 2.793 1.00 1.24 C +ATOM 474 OH TYR A 29 -11.268 -12.011 3.140 1.00 1.57 O +ATOM 475 H TYR A 29 -6.574 -13.622 3.922 1.00 0.50 H +ATOM 476 HA TYR A 29 -4.624 -15.133 2.287 1.00 0.48 H +ATOM 477 HB2 TYR A 29 -6.608 -15.105 0.628 1.00 0.54 H +ATOM 478 HB3 TYR A 29 -6.785 -16.061 2.099 1.00 0.66 H +ATOM 479 HD1 TYR A 29 -7.739 -12.917 0.403 1.00 2.09 H +ATOM 480 HD2 TYR A 29 -8.318 -15.411 3.852 1.00 2.30 H +ATOM 481 HE1 TYR A 29 -9.737 -11.588 1.029 1.00 2.19 H +ATOM 482 HE2 TYR A 29 -10.317 -14.083 4.476 1.00 2.61 H +ATOM 483 HH TYR A 29 -11.944 -12.619 3.447 1.00 1.71 H +ATOM 484 N TYR A 30 -4.694 -12.103 2.017 1.00 0.32 N +ATOM 485 CA TYR A 30 -4.275 -10.903 1.222 1.00 0.28 C +ATOM 486 C TYR A 30 -3.419 -11.366 0.035 1.00 0.32 C +ATOM 487 O TYR A 30 -2.281 -11.759 0.193 1.00 0.38 O +ATOM 488 CB TYR A 30 -3.462 -9.958 2.121 1.00 0.29 C +ATOM 489 CG TYR A 30 -3.006 -8.741 1.339 1.00 0.20 C +ATOM 490 CD1 TYR A 30 -3.750 -8.286 0.243 1.00 0.47 C +ATOM 491 CD2 TYR A 30 -1.832 -8.068 1.715 1.00 0.48 C +ATOM 492 CE1 TYR A 30 -3.319 -7.163 -0.477 1.00 0.49 C +ATOM 493 CE2 TYR A 30 -1.400 -6.943 0.995 1.00 0.49 C +ATOM 494 CZ TYR A 30 -2.145 -6.493 -0.102 1.00 0.25 C +ATOM 495 OH TYR A 30 -1.724 -5.388 -0.814 1.00 0.36 O +ATOM 496 H TYR A 30 -4.721 -12.056 2.998 1.00 0.33 H +ATOM 497 HA TYR A 30 -5.152 -10.390 0.855 1.00 0.31 H +ATOM 498 HB2 TYR A 30 -4.075 -9.639 2.950 1.00 0.37 H +ATOM 499 HB3 TYR A 30 -2.597 -10.483 2.499 1.00 0.37 H +ATOM 500 HD1 TYR A 30 -4.655 -8.797 -0.044 1.00 0.80 H +ATOM 501 HD2 TYR A 30 -1.267 -8.413 2.564 1.00 0.81 H +ATOM 502 HE1 TYR A 30 -3.892 -6.812 -1.322 1.00 0.82 H +ATOM 503 HE2 TYR A 30 -0.484 -6.425 1.282 1.00 0.82 H +ATOM 504 HH TYR A 30 -0.976 -5.004 -0.351 1.00 0.86 H +ATOM 505 N GLY A 31 -3.974 -11.339 -1.151 1.00 0.39 N +ATOM 506 CA GLY A 31 -3.215 -11.796 -2.357 1.00 0.51 C +ATOM 507 C GLY A 31 -2.004 -10.892 -2.611 1.00 0.58 C +ATOM 508 O GLY A 31 -1.214 -11.146 -3.495 1.00 1.36 O +ATOM 509 H GLY A 31 -4.899 -11.032 -1.247 1.00 0.42 H +ATOM 510 HA2 GLY A 31 -2.876 -12.809 -2.201 1.00 0.59 H +ATOM 511 HA3 GLY A 31 -3.865 -11.766 -3.219 1.00 0.55 H +ATOM 512 N GLU A 32 -1.870 -9.835 -1.853 1.00 0.56 N +ATOM 513 CA GLU A 32 -0.726 -8.877 -2.011 1.00 0.54 C +ATOM 514 C GLU A 32 -0.533 -8.420 -3.470 1.00 0.54 C +ATOM 515 O GLU A 32 0.377 -7.671 -3.760 1.00 0.59 O +ATOM 516 CB GLU A 32 0.582 -9.491 -1.474 1.00 0.66 C +ATOM 517 CG GLU A 32 0.741 -10.947 -1.915 1.00 1.51 C +ATOM 518 CD GLU A 32 2.052 -11.506 -1.358 1.00 1.87 C +ATOM 519 OE1 GLU A 32 3.044 -10.799 -1.410 1.00 2.36 O +ATOM 520 OE2 GLU A 32 2.040 -12.632 -0.890 1.00 2.37 O +ATOM 521 H GLU A 32 -2.537 -9.659 -1.164 1.00 1.17 H +ATOM 522 HA GLU A 32 -0.948 -8.001 -1.421 1.00 0.51 H +ATOM 523 HB2 GLU A 32 1.419 -8.921 -1.845 1.00 1.18 H +ATOM 524 HB3 GLU A 32 0.576 -9.447 -0.394 1.00 1.10 H +ATOM 525 HG2 GLU A 32 -0.084 -11.532 -1.539 1.00 2.15 H +ATOM 526 HG3 GLU A 32 0.764 -10.998 -2.992 1.00 2.09 H +ATOM 527 N ASN A 33 -1.373 -8.817 -4.389 1.00 0.51 N +ATOM 528 CA ASN A 33 -1.203 -8.335 -5.792 1.00 0.53 C +ATOM 529 C ASN A 33 -1.891 -6.977 -5.927 1.00 0.50 C +ATOM 530 O ASN A 33 -2.423 -6.444 -4.974 1.00 0.56 O +ATOM 531 CB ASN A 33 -1.811 -9.321 -6.806 1.00 0.54 C +ATOM 532 CG ASN A 33 -2.420 -10.533 -6.096 1.00 0.62 C +ATOM 533 OD1 ASN A 33 -1.721 -11.465 -5.752 1.00 1.57 O +ATOM 534 ND2 ASN A 33 -3.703 -10.559 -5.864 1.00 0.82 N +ATOM 535 H ASN A 33 -2.127 -9.384 -4.159 1.00 0.49 H +ATOM 536 HA ASN A 33 -0.148 -8.216 -5.997 1.00 0.59 H +ATOM 537 HB2 ASN A 33 -2.581 -8.817 -7.372 1.00 0.60 H +ATOM 538 HB3 ASN A 33 -1.037 -9.657 -7.481 1.00 0.62 H +ATOM 539 HD21 ASN A 33 -4.267 -9.808 -6.143 1.00 1.60 H +ATOM 540 HD22 ASN A 33 -4.104 -11.330 -5.410 1.00 0.77 H +ATOM 541 N LEU A 34 -1.918 -6.429 -7.107 1.00 0.48 N +ATOM 542 CA LEU A 34 -2.609 -5.125 -7.305 1.00 0.47 C +ATOM 543 C LEU A 34 -4.108 -5.392 -7.331 1.00 0.40 C +ATOM 544 O LEU A 34 -4.911 -4.621 -6.852 1.00 0.37 O +ATOM 545 CB LEU A 34 -2.204 -4.539 -8.650 1.00 0.55 C +ATOM 546 CG LEU A 34 -0.749 -4.072 -8.606 1.00 0.64 C +ATOM 547 CD1 LEU A 34 -0.358 -3.503 -9.971 1.00 0.82 C +ATOM 548 CD2 LEU A 34 -0.590 -2.986 -7.539 1.00 0.61 C +ATOM 549 H LEU A 34 -1.505 -6.886 -7.869 1.00 0.52 H +ATOM 550 HA LEU A 34 -2.362 -4.443 -6.507 1.00 0.48 H +ATOM 551 HB2 LEU A 34 -2.317 -5.300 -9.409 1.00 0.62 H +ATOM 552 HB3 LEU A 34 -2.846 -3.706 -8.881 1.00 0.52 H +ATOM 553 HG LEU A 34 -0.109 -4.909 -8.369 1.00 0.72 H +ATOM 554 HD11 LEU A 34 -1.059 -3.846 -10.718 1.00 1.23 H +ATOM 555 HD12 LEU A 34 -0.375 -2.424 -9.930 1.00 1.45 H +ATOM 556 HD13 LEU A 34 0.636 -3.838 -10.229 1.00 1.32 H +ATOM 557 HD21 LEU A 34 -1.519 -2.868 -7.003 1.00 1.16 H +ATOM 558 HD22 LEU A 34 0.191 -3.271 -6.850 1.00 1.14 H +ATOM 559 HD23 LEU A 34 -0.328 -2.052 -8.014 1.00 1.19 H +ATOM 560 N ASP A 35 -4.469 -6.494 -7.911 1.00 0.39 N +ATOM 561 CA ASP A 35 -5.897 -6.886 -8.018 1.00 0.36 C +ATOM 562 C ASP A 35 -6.467 -7.173 -6.632 1.00 0.30 C +ATOM 563 O ASP A 35 -7.614 -6.894 -6.351 1.00 0.28 O +ATOM 564 CB ASP A 35 -5.975 -8.167 -8.833 1.00 0.38 C +ATOM 565 CG ASP A 35 -5.683 -7.865 -10.303 1.00 0.43 C +ATOM 566 OD1 ASP A 35 -6.344 -7.000 -10.853 1.00 1.24 O +ATOM 567 OD2 ASP A 35 -4.803 -8.506 -10.856 1.00 1.06 O +ATOM 568 H ASP A 35 -3.784 -7.073 -8.292 1.00 0.43 H +ATOM 569 HA ASP A 35 -6.465 -6.108 -8.502 1.00 0.39 H +ATOM 570 HB2 ASP A 35 -5.242 -8.865 -8.451 1.00 0.37 H +ATOM 571 HB3 ASP A 35 -6.958 -8.593 -8.738 1.00 0.38 H +ATOM 572 N ALA A 36 -5.676 -7.742 -5.769 1.00 0.29 N +ATOM 573 CA ALA A 36 -6.180 -8.058 -4.401 1.00 0.25 C +ATOM 574 C ALA A 36 -6.124 -6.799 -3.563 1.00 0.22 C +ATOM 575 O ALA A 36 -7.111 -6.353 -3.016 1.00 0.22 O +ATOM 576 CB ALA A 36 -5.310 -9.125 -3.749 1.00 0.29 C +ATOM 577 H ALA A 36 -4.751 -7.958 -6.021 1.00 0.32 H +ATOM 578 HA ALA A 36 -7.199 -8.406 -4.462 1.00 0.25 H +ATOM 579 HB1 ALA A 36 -4.269 -8.876 -3.891 1.00 1.08 H +ATOM 580 HB2 ALA A 36 -5.531 -9.163 -2.692 1.00 1.02 H +ATOM 581 HB3 ALA A 36 -5.518 -10.085 -4.196 1.00 1.06 H +ATOM 582 N LEU A 37 -4.967 -6.217 -3.477 1.00 0.21 N +ATOM 583 CA LEU A 37 -4.820 -4.966 -2.697 1.00 0.19 C +ATOM 584 C LEU A 37 -5.987 -4.058 -3.064 1.00 0.16 C +ATOM 585 O LEU A 37 -6.706 -3.539 -2.224 1.00 0.16 O +ATOM 586 CB LEU A 37 -3.502 -4.299 -3.095 1.00 0.21 C +ATOM 587 CG LEU A 37 -3.539 -2.815 -2.724 1.00 0.20 C +ATOM 588 CD1 LEU A 37 -3.557 -2.667 -1.201 1.00 0.22 C +ATOM 589 CD2 LEU A 37 -2.302 -2.115 -3.290 1.00 0.24 C +ATOM 590 H LEU A 37 -4.197 -6.598 -3.946 1.00 0.23 H +ATOM 591 HA LEU A 37 -4.826 -5.183 -1.642 1.00 0.19 H +ATOM 592 HB2 LEU A 37 -2.687 -4.787 -2.585 1.00 0.24 H +ATOM 593 HB3 LEU A 37 -3.363 -4.395 -4.161 1.00 0.22 H +ATOM 594 HG LEU A 37 -4.433 -2.369 -3.142 1.00 0.18 H +ATOM 595 HD11 LEU A 37 -3.210 -3.582 -0.746 1.00 1.05 H +ATOM 596 HD12 LEU A 37 -2.909 -1.852 -0.912 1.00 1.03 H +ATOM 597 HD13 LEU A 37 -4.564 -2.460 -0.872 1.00 1.02 H +ATOM 598 HD21 LEU A 37 -1.501 -2.832 -3.401 1.00 1.02 H +ATOM 599 HD22 LEU A 37 -2.539 -1.689 -4.254 1.00 1.04 H +ATOM 600 HD23 LEU A 37 -1.992 -1.330 -2.616 1.00 1.04 H +ATOM 601 N TRP A 38 -6.173 -3.884 -4.333 1.00 0.17 N +ATOM 602 CA TRP A 38 -7.277 -3.046 -4.821 1.00 0.16 C +ATOM 603 C TRP A 38 -8.577 -3.613 -4.303 1.00 0.16 C +ATOM 604 O TRP A 38 -9.345 -2.951 -3.643 1.00 0.16 O +ATOM 605 CB TRP A 38 -7.315 -3.093 -6.341 1.00 0.18 C +ATOM 606 CG TRP A 38 -8.456 -2.267 -6.801 1.00 0.18 C +ATOM 607 CD1 TRP A 38 -9.708 -2.718 -6.963 1.00 0.21 C +ATOM 608 CD2 TRP A 38 -8.476 -0.860 -7.128 1.00 0.18 C +ATOM 609 NE1 TRP A 38 -10.508 -1.672 -7.389 1.00 0.23 N +ATOM 610 CE2 TRP A 38 -9.785 -0.502 -7.508 1.00 0.20 C +ATOM 611 CE3 TRP A 38 -7.487 0.125 -7.138 1.00 0.17 C +ATOM 612 CZ2 TRP A 38 -10.099 0.802 -7.885 1.00 0.22 C +ATOM 613 CZ3 TRP A 38 -7.785 1.430 -7.507 1.00 0.19 C +ATOM 614 CH2 TRP A 38 -9.093 1.778 -7.885 1.00 0.20 C +ATOM 615 H TRP A 38 -5.584 -4.321 -4.971 1.00 0.19 H +ATOM 616 HA TRP A 38 -7.151 -2.041 -4.479 1.00 0.15 H +ATOM 617 HB2 TRP A 38 -6.396 -2.715 -6.747 1.00 0.19 H +ATOM 618 HB3 TRP A 38 -7.458 -4.113 -6.665 1.00 0.20 H +ATOM 619 HD1 TRP A 38 -10.026 -3.729 -6.788 1.00 0.23 H +ATOM 620 HE1 TRP A 38 -11.467 -1.733 -7.585 1.00 0.26 H +ATOM 621 HE3 TRP A 38 -6.487 -0.125 -6.858 1.00 0.18 H +ATOM 622 HZ2 TRP A 38 -11.106 1.051 -8.177 1.00 0.25 H +ATOM 623 HZ3 TRP A 38 -7.000 2.167 -7.492 1.00 0.20 H +ATOM 624 HH2 TRP A 38 -9.322 2.794 -8.171 1.00 0.22 H +ATOM 625 N ASP A 39 -8.815 -4.850 -4.599 1.00 0.17 N +ATOM 626 CA ASP A 39 -10.061 -5.500 -4.130 1.00 0.18 C +ATOM 627 C ASP A 39 -10.283 -5.117 -2.672 1.00 0.18 C +ATOM 628 O ASP A 39 -11.394 -5.091 -2.182 1.00 0.21 O +ATOM 629 CB ASP A 39 -9.927 -7.017 -4.254 1.00 0.21 C +ATOM 630 CG ASP A 39 -10.613 -7.488 -5.537 1.00 0.29 C +ATOM 631 OD1 ASP A 39 -10.045 -7.286 -6.598 1.00 1.13 O +ATOM 632 OD2 ASP A 39 -11.695 -8.044 -5.438 1.00 1.06 O +ATOM 633 H ASP A 39 -8.163 -5.351 -5.126 1.00 0.18 H +ATOM 634 HA ASP A 39 -10.891 -5.158 -4.728 1.00 0.20 H +ATOM 635 HB2 ASP A 39 -8.881 -7.285 -4.283 1.00 0.26 H +ATOM 636 HB3 ASP A 39 -10.396 -7.486 -3.406 1.00 0.25 H +ATOM 637 N CYS A 40 -9.222 -4.807 -1.977 1.00 0.17 N +ATOM 638 CA CYS A 40 -9.354 -4.412 -0.556 1.00 0.19 C +ATOM 639 C CYS A 40 -9.797 -2.948 -0.466 1.00 0.19 C +ATOM 640 O CYS A 40 -10.745 -2.623 0.218 1.00 0.23 O +ATOM 641 CB CYS A 40 -8.001 -4.580 0.132 1.00 0.21 C +ATOM 642 SG CYS A 40 -7.334 -6.221 -0.239 1.00 0.58 S +ATOM 643 H CYS A 40 -8.332 -4.832 -2.394 1.00 0.16 H +ATOM 644 HA CYS A 40 -10.085 -5.042 -0.071 1.00 0.22 H +ATOM 645 HB2 CYS A 40 -7.318 -3.823 -0.226 1.00 0.36 H +ATOM 646 HB3 CYS A 40 -8.126 -4.475 1.195 1.00 0.32 H +ATOM 647 HG CYS A 40 -7.716 -6.844 0.383 1.00 1.07 H +ATOM 648 N LEU A 41 -9.117 -2.057 -1.142 1.00 0.17 N +ATOM 649 CA LEU A 41 -9.497 -0.625 -1.076 1.00 0.18 C +ATOM 650 C LEU A 41 -10.943 -0.424 -1.548 1.00 0.21 C +ATOM 651 O LEU A 41 -11.729 0.247 -0.908 1.00 0.45 O +ATOM 652 CB LEU A 41 -8.562 0.173 -1.981 1.00 0.17 C +ATOM 653 CG LEU A 41 -7.117 -0.285 -1.776 1.00 0.19 C +ATOM 654 CD1 LEU A 41 -6.189 0.625 -2.567 1.00 0.18 C +ATOM 655 CD2 LEU A 41 -6.760 -0.219 -0.289 1.00 0.31 C +ATOM 656 H LEU A 41 -8.350 -2.323 -1.688 1.00 0.16 H +ATOM 657 HA LEU A 41 -9.394 -0.278 -0.063 1.00 0.20 H +ATOM 658 HB2 LEU A 41 -8.845 0.016 -3.011 1.00 0.18 H +ATOM 659 HB3 LEU A 41 -8.641 1.221 -1.742 1.00 0.18 H +ATOM 660 HG LEU A 41 -6.999 -1.295 -2.133 1.00 0.27 H +ATOM 661 HD11 LEU A 41 -6.767 1.412 -3.025 1.00 1.02 H +ATOM 662 HD12 LEU A 41 -5.453 1.053 -1.904 1.00 1.02 H +ATOM 663 HD13 LEU A 41 -5.695 0.046 -3.333 1.00 1.04 H +ATOM 664 HD21 LEU A 41 -7.576 0.229 0.257 1.00 1.07 H +ATOM 665 HD22 LEU A 41 -6.585 -1.218 0.083 1.00 1.04 H +ATOM 666 HD23 LEU A 41 -5.869 0.376 -0.159 1.00 1.05 H +ATOM 667 N THR A 42 -11.284 -0.971 -2.679 1.00 0.26 N +ATOM 668 CA THR A 42 -12.650 -0.794 -3.226 1.00 0.28 C +ATOM 669 C THR A 42 -13.665 -1.664 -2.479 1.00 0.32 C +ATOM 670 O THR A 42 -14.826 -1.704 -2.836 1.00 0.55 O +ATOM 671 CB THR A 42 -12.649 -1.174 -4.708 1.00 0.26 C +ATOM 672 OG1 THR A 42 -11.870 -2.347 -4.894 1.00 0.29 O +ATOM 673 CG2 THR A 42 -12.054 -0.026 -5.525 1.00 0.40 C +ATOM 674 H THR A 42 -10.634 -1.478 -3.183 1.00 0.45 H +ATOM 675 HA THR A 42 -12.926 0.237 -3.135 1.00 0.36 H +ATOM 676 HB THR A 42 -13.661 -1.357 -5.035 1.00 0.29 H +ATOM 677 HG1 THR A 42 -12.408 -2.989 -5.363 1.00 0.88 H +ATOM 678 HG21 THR A 42 -12.646 0.865 -5.377 1.00 1.17 H +ATOM 679 HG22 THR A 42 -11.040 0.158 -5.202 1.00 1.08 H +ATOM 680 HG23 THR A 42 -12.056 -0.290 -6.572 1.00 1.02 H +ATOM 681 N GLY A 43 -13.262 -2.363 -1.452 1.00 0.27 N +ATOM 682 CA GLY A 43 -14.258 -3.210 -0.729 1.00 0.31 C +ATOM 683 C GLY A 43 -13.627 -3.900 0.484 1.00 0.27 C +ATOM 684 O GLY A 43 -13.610 -5.112 0.574 1.00 0.32 O +ATOM 685 H GLY A 43 -12.322 -2.332 -1.164 1.00 0.37 H +ATOM 686 HA2 GLY A 43 -15.075 -2.588 -0.396 1.00 0.39 H +ATOM 687 HA3 GLY A 43 -14.638 -3.963 -1.404 1.00 0.37 H +ATOM 688 N TRP A 44 -13.125 -3.148 1.425 1.00 0.25 N +ATOM 689 CA TRP A 44 -12.519 -3.775 2.630 1.00 0.23 C +ATOM 690 C TRP A 44 -11.944 -2.689 3.540 1.00 0.23 C +ATOM 691 O TRP A 44 -12.415 -2.466 4.637 1.00 0.27 O +ATOM 692 CB TRP A 44 -11.402 -4.721 2.201 1.00 0.24 C +ATOM 693 CG TRP A 44 -10.808 -5.362 3.411 1.00 0.26 C +ATOM 694 CD1 TRP A 44 -9.735 -4.894 4.085 1.00 0.27 C +ATOM 695 CD2 TRP A 44 -11.233 -6.571 4.106 1.00 0.30 C +ATOM 696 NE1 TRP A 44 -9.470 -5.739 5.146 1.00 0.31 N +ATOM 697 CE2 TRP A 44 -10.366 -6.788 5.202 1.00 0.34 C +ATOM 698 CE3 TRP A 44 -12.274 -7.493 3.891 1.00 0.35 C +ATOM 699 CZ2 TRP A 44 -10.527 -7.879 6.058 1.00 0.41 C +ATOM 700 CZ3 TRP A 44 -12.439 -8.592 4.750 1.00 0.43 C +ATOM 701 CH2 TRP A 44 -11.567 -8.785 5.831 1.00 0.45 C +ATOM 702 H TRP A 44 -13.153 -2.176 1.345 1.00 0.29 H +ATOM 703 HA TRP A 44 -13.275 -4.330 3.166 1.00 0.24 H +ATOM 704 HB2 TRP A 44 -11.804 -5.478 1.549 1.00 0.26 H +ATOM 705 HB3 TRP A 44 -10.639 -4.164 1.678 1.00 0.25 H +ATOM 706 HD1 TRP A 44 -9.176 -4.005 3.832 1.00 0.29 H +ATOM 707 HE1 TRP A 44 -8.741 -5.624 5.790 1.00 0.34 H +ATOM 708 HE3 TRP A 44 -12.952 -7.353 3.062 1.00 0.34 H +ATOM 709 HZ2 TRP A 44 -9.852 -8.022 6.888 1.00 0.44 H +ATOM 710 HZ3 TRP A 44 -13.242 -9.293 4.577 1.00 0.48 H +ATOM 711 HH2 TRP A 44 -11.698 -9.632 6.488 1.00 0.52 H +ATOM 712 N VAL A 45 -10.925 -2.016 3.089 1.00 0.25 N +ATOM 713 CA VAL A 45 -10.304 -0.949 3.912 1.00 0.26 C +ATOM 714 C VAL A 45 -11.350 0.112 4.253 1.00 0.25 C +ATOM 715 O VAL A 45 -12.264 0.362 3.493 1.00 0.37 O +ATOM 716 CB VAL A 45 -9.165 -0.300 3.125 1.00 0.30 C +ATOM 717 CG1 VAL A 45 -8.436 0.706 4.017 1.00 0.42 C +ATOM 718 CG2 VAL A 45 -8.181 -1.377 2.661 1.00 0.28 C +ATOM 719 H VAL A 45 -10.564 -2.217 2.209 1.00 0.30 H +ATOM 720 HA VAL A 45 -9.915 -1.380 4.817 1.00 0.30 H +ATOM 721 HB VAL A 45 -9.571 0.213 2.264 1.00 0.32 H +ATOM 722 HG11 VAL A 45 -8.204 0.244 4.965 1.00 1.04 H +ATOM 723 HG12 VAL A 45 -7.522 1.019 3.534 1.00 1.09 H +ATOM 724 HG13 VAL A 45 -9.069 1.566 4.180 1.00 1.20 H +ATOM 725 HG21 VAL A 45 -8.727 -2.205 2.234 1.00 1.04 H +ATOM 726 HG22 VAL A 45 -7.519 -0.962 1.917 1.00 1.05 H +ATOM 727 HG23 VAL A 45 -7.603 -1.724 3.505 1.00 1.06 H +ATOM 728 N GLU A 46 -11.215 0.751 5.382 1.00 0.21 N +ATOM 729 CA GLU A 46 -12.197 1.808 5.755 1.00 0.23 C +ATOM 730 C GLU A 46 -11.566 3.177 5.505 1.00 0.22 C +ATOM 731 O GLU A 46 -10.440 3.435 5.880 1.00 0.22 O +ATOM 732 CB GLU A 46 -12.600 1.688 7.231 1.00 0.30 C +ATOM 733 CG GLU A 46 -11.576 0.848 7.993 1.00 1.31 C +ATOM 734 CD GLU A 46 -12.107 0.545 9.395 1.00 1.80 C +ATOM 735 OE1 GLU A 46 -13.089 -0.173 9.493 1.00 2.43 O +ATOM 736 OE2 GLU A 46 -11.524 1.036 10.347 1.00 2.28 O +ATOM 737 H GLU A 46 -10.463 0.544 5.976 1.00 0.26 H +ATOM 738 HA GLU A 46 -13.077 1.706 5.136 1.00 0.25 H +ATOM 739 HB2 GLU A 46 -12.650 2.674 7.668 1.00 0.94 H +ATOM 740 HB3 GLU A 46 -13.570 1.217 7.300 1.00 0.93 H +ATOM 741 HG2 GLU A 46 -11.404 -0.077 7.463 1.00 1.86 H +ATOM 742 HG3 GLU A 46 -10.651 1.397 8.071 1.00 1.97 H +ATOM 743 N TYR A 47 -12.285 4.047 4.861 1.00 0.22 N +ATOM 744 CA TYR A 47 -11.744 5.402 4.559 1.00 0.22 C +ATOM 745 C TYR A 47 -12.564 6.446 5.329 1.00 0.26 C +ATOM 746 O TYR A 47 -13.586 6.110 5.892 1.00 0.29 O +ATOM 747 CB TYR A 47 -11.851 5.623 3.045 1.00 0.24 C +ATOM 748 CG TYR A 47 -10.868 4.720 2.323 1.00 0.24 C +ATOM 749 CD1 TYR A 47 -9.830 4.081 3.021 1.00 1.25 C +ATOM 750 CD2 TYR A 47 -10.994 4.520 0.945 1.00 1.21 C +ATOM 751 CE1 TYR A 47 -8.935 3.251 2.342 1.00 1.27 C +ATOM 752 CE2 TYR A 47 -10.094 3.692 0.272 1.00 1.20 C +ATOM 753 CZ TYR A 47 -9.067 3.058 0.970 1.00 0.29 C +ATOM 754 OH TYR A 47 -8.181 2.239 0.301 1.00 0.34 O +ATOM 755 H TYR A 47 -13.186 3.805 4.566 1.00 0.24 H +ATOM 756 HA TYR A 47 -10.715 5.454 4.865 1.00 0.21 H +ATOM 757 HB2 TYR A 47 -12.851 5.384 2.720 1.00 0.27 H +ATOM 758 HB3 TYR A 47 -11.639 6.648 2.806 1.00 0.26 H +ATOM 759 HD1 TYR A 47 -9.713 4.232 4.078 1.00 2.17 H +ATOM 760 HD2 TYR A 47 -11.776 5.012 0.397 1.00 2.14 H +ATOM 761 HE1 TYR A 47 -8.130 2.771 2.877 1.00 2.20 H +ATOM 762 HE2 TYR A 47 -10.182 3.551 -0.798 1.00 2.11 H +ATOM 763 HH TYR A 47 -7.325 2.299 0.736 1.00 0.80 H +ATOM 764 N PRO A 48 -12.102 7.682 5.359 1.00 0.27 N +ATOM 765 CA PRO A 48 -10.858 8.134 4.685 1.00 0.25 C +ATOM 766 C PRO A 48 -9.620 7.409 5.219 1.00 0.22 C +ATOM 767 O PRO A 48 -9.455 7.234 6.406 1.00 0.30 O +ATOM 768 CB PRO A 48 -10.761 9.631 5.010 1.00 0.28 C +ATOM 769 CG PRO A 48 -11.970 10.004 5.902 1.00 0.33 C +ATOM 770 CD PRO A 48 -12.815 8.738 6.097 1.00 0.32 C +ATOM 771 HA PRO A 48 -10.933 8.008 3.624 1.00 0.25 H +ATOM 772 HB2 PRO A 48 -9.838 9.831 5.537 1.00 0.28 H +ATOM 773 HB3 PRO A 48 -10.794 10.207 4.098 1.00 0.29 H +ATOM 774 HG2 PRO A 48 -11.620 10.365 6.859 1.00 0.34 H +ATOM 775 HG3 PRO A 48 -12.563 10.764 5.417 1.00 0.35 H +ATOM 776 HD2 PRO A 48 -12.878 8.489 7.148 1.00 0.34 H +ATOM 777 HD3 PRO A 48 -13.802 8.877 5.683 1.00 0.35 H +ATOM 778 N LEU A 49 -8.744 7.000 4.338 1.00 0.20 N +ATOM 779 CA LEU A 49 -7.502 6.298 4.775 1.00 0.19 C +ATOM 780 C LEU A 49 -6.301 7.182 4.462 1.00 0.19 C +ATOM 781 O LEU A 49 -6.335 7.998 3.567 1.00 0.20 O +ATOM 782 CB LEU A 49 -7.362 4.977 3.994 1.00 0.18 C +ATOM 783 CG LEU A 49 -5.885 4.560 3.861 1.00 0.17 C +ATOM 784 CD1 LEU A 49 -5.350 4.066 5.209 1.00 0.20 C +ATOM 785 CD2 LEU A 49 -5.759 3.447 2.816 1.00 0.16 C +ATOM 786 H LEU A 49 -8.899 7.162 3.382 1.00 0.25 H +ATOM 787 HA LEU A 49 -7.545 6.095 5.834 1.00 0.20 H +ATOM 788 HB2 LEU A 49 -7.908 4.198 4.504 1.00 0.20 H +ATOM 789 HB3 LEU A 49 -7.773 5.116 3.007 1.00 0.19 H +ATOM 790 HG LEU A 49 -5.305 5.406 3.538 1.00 0.16 H +ATOM 791 HD11 LEU A 49 -6.077 4.273 5.980 1.00 0.96 H +ATOM 792 HD12 LEU A 49 -5.171 3.003 5.158 1.00 1.01 H +ATOM 793 HD13 LEU A 49 -4.420 4.578 5.444 1.00 0.99 H +ATOM 794 HD21 LEU A 49 -6.585 3.508 2.120 1.00 1.00 H +ATOM 795 HD22 LEU A 49 -4.827 3.566 2.278 1.00 1.04 H +ATOM 796 HD23 LEU A 49 -5.771 2.486 3.308 1.00 1.05 H +ATOM 797 N VAL A 50 -5.222 6.985 5.157 1.00 0.21 N +ATOM 798 CA VAL A 50 -4.003 7.770 4.857 1.00 0.22 C +ATOM 799 C VAL A 50 -2.919 6.786 4.408 1.00 0.20 C +ATOM 800 O VAL A 50 -2.748 5.736 4.987 1.00 0.21 O +ATOM 801 CB VAL A 50 -3.555 8.555 6.114 1.00 0.26 C +ATOM 802 CG1 VAL A 50 -2.135 8.158 6.542 1.00 0.26 C +ATOM 803 CG2 VAL A 50 -3.567 10.051 5.802 1.00 0.29 C +ATOM 804 H VAL A 50 -5.204 6.294 5.852 1.00 0.22 H +ATOM 805 HA VAL A 50 -4.212 8.463 4.054 1.00 0.23 H +ATOM 806 HB VAL A 50 -4.241 8.353 6.923 1.00 0.27 H +ATOM 807 HG11 VAL A 50 -1.496 8.116 5.669 1.00 1.02 H +ATOM 808 HG12 VAL A 50 -1.749 8.892 7.235 1.00 1.04 H +ATOM 809 HG13 VAL A 50 -2.159 7.190 7.019 1.00 1.01 H +ATOM 810 HG21 VAL A 50 -4.513 10.319 5.357 1.00 0.95 H +ATOM 811 HG22 VAL A 50 -3.426 10.609 6.716 1.00 1.05 H +ATOM 812 HG23 VAL A 50 -2.765 10.279 5.115 1.00 1.06 H +ATOM 813 N LEU A 51 -2.167 7.122 3.409 1.00 0.19 N +ATOM 814 CA LEU A 51 -1.081 6.210 2.976 1.00 0.18 C +ATOM 815 C LEU A 51 0.228 6.969 3.109 1.00 0.18 C +ATOM 816 O LEU A 51 0.745 7.517 2.155 1.00 0.20 O +ATOM 817 CB LEU A 51 -1.267 5.748 1.523 1.00 0.17 C +ATOM 818 CG LEU A 51 -0.106 4.823 1.149 1.00 0.19 C +ATOM 819 CD1 LEU A 51 -0.195 3.543 1.973 1.00 0.21 C +ATOM 820 CD2 LEU A 51 -0.185 4.451 -0.328 1.00 0.18 C +ATOM 821 H LEU A 51 -2.294 7.982 2.968 1.00 0.21 H +ATOM 822 HA LEU A 51 -1.059 5.348 3.629 1.00 0.17 H +ATOM 823 HB2 LEU A 51 -2.194 5.208 1.429 1.00 0.17 H +ATOM 824 HB3 LEU A 51 -1.277 6.600 0.866 1.00 0.18 H +ATOM 825 HG LEU A 51 0.832 5.319 1.350 1.00 0.24 H +ATOM 826 HD11 LEU A 51 -1.152 3.502 2.471 1.00 1.01 H +ATOM 827 HD12 LEU A 51 -0.093 2.690 1.317 1.00 1.01 H +ATOM 828 HD13 LEU A 51 0.597 3.530 2.707 1.00 0.99 H +ATOM 829 HD21 LEU A 51 -1.201 4.568 -0.675 1.00 1.05 H +ATOM 830 HD22 LEU A 51 0.471 5.093 -0.896 1.00 1.04 H +ATOM 831 HD23 LEU A 51 0.121 3.418 -0.450 1.00 1.02 H +ATOM 832 N GLU A 52 0.760 7.014 4.296 1.00 0.19 N +ATOM 833 CA GLU A 52 2.031 7.743 4.505 1.00 0.21 C +ATOM 834 C GLU A 52 3.158 6.861 3.988 1.00 0.19 C +ATOM 835 O GLU A 52 3.789 6.122 4.721 1.00 0.19 O +ATOM 836 CB GLU A 52 2.213 8.030 5.996 1.00 0.24 C +ATOM 837 CG GLU A 52 3.642 8.508 6.256 1.00 0.30 C +ATOM 838 CD GLU A 52 3.650 9.471 7.444 1.00 0.64 C +ATOM 839 OE1 GLU A 52 2.717 9.420 8.229 1.00 1.28 O +ATOM 840 OE2 GLU A 52 4.588 10.244 7.550 1.00 1.44 O +ATOM 841 H GLU A 52 0.318 6.571 5.050 1.00 0.20 H +ATOM 842 HA GLU A 52 2.015 8.670 3.953 1.00 0.23 H +ATOM 843 HB2 GLU A 52 1.512 8.798 6.299 1.00 0.25 H +ATOM 844 HB3 GLU A 52 2.025 7.130 6.562 1.00 0.24 H +ATOM 845 HG2 GLU A 52 4.271 7.658 6.477 1.00 0.57 H +ATOM 846 HG3 GLU A 52 4.017 9.017 5.381 1.00 0.52 H +ATOM 847 N TRP A 53 3.385 6.915 2.708 1.00 0.20 N +ATOM 848 CA TRP A 53 4.436 6.072 2.099 1.00 0.20 C +ATOM 849 C TRP A 53 5.813 6.694 2.321 1.00 0.24 C +ATOM 850 O TRP A 53 6.142 7.720 1.760 1.00 0.38 O +ATOM 851 CB TRP A 53 4.175 5.945 0.603 1.00 0.24 C +ATOM 852 CG TRP A 53 4.807 4.689 0.123 1.00 0.23 C +ATOM 853 CD1 TRP A 53 6.084 4.326 0.376 1.00 0.25 C +ATOM 854 CD2 TRP A 53 4.223 3.620 -0.671 1.00 0.21 C +ATOM 855 NE1 TRP A 53 6.325 3.103 -0.214 1.00 0.26 N +ATOM 856 CE2 TRP A 53 5.210 2.627 -0.872 1.00 0.24 C +ATOM 857 CE3 TRP A 53 2.948 3.416 -1.234 1.00 0.21 C +ATOM 858 CZ2 TRP A 53 4.946 1.474 -1.601 1.00 0.25 C +ATOM 859 CZ3 TRP A 53 2.684 2.251 -1.974 1.00 0.23 C +ATOM 860 CH2 TRP A 53 3.682 1.284 -2.156 1.00 0.25 C +ATOM 861 H TRP A 53 2.842 7.501 2.141 1.00 0.22 H +ATOM 862 HA TRP A 53 4.406 5.089 2.545 1.00 0.20 H +ATOM 863 HB2 TRP A 53 3.111 5.911 0.421 1.00 0.28 H +ATOM 864 HB3 TRP A 53 4.606 6.789 0.085 1.00 0.30 H +ATOM 865 HD1 TRP A 53 6.800 4.901 0.946 1.00 0.28 H +ATOM 866 HE1 TRP A 53 7.175 2.618 -0.182 1.00 0.29 H +ATOM 867 HE3 TRP A 53 2.166 4.156 -1.091 1.00 0.23 H +ATOM 868 HZ2 TRP A 53 5.715 0.731 -1.736 1.00 0.29 H +ATOM 869 HZ3 TRP A 53 1.712 2.103 -2.412 1.00 0.25 H +ATOM 870 HH2 TRP A 53 3.474 0.393 -2.726 1.00 0.27 H +ATOM 871 N ARG A 54 6.627 6.069 3.124 1.00 0.26 N +ATOM 872 CA ARG A 54 7.992 6.607 3.371 1.00 0.35 C +ATOM 873 C ARG A 54 8.988 5.823 2.515 1.00 0.49 C +ATOM 874 O ARG A 54 8.781 4.663 2.219 1.00 1.33 O +ATOM 875 CB ARG A 54 8.346 6.446 4.849 1.00 0.44 C +ATOM 876 CG ARG A 54 8.545 7.825 5.481 1.00 0.88 C +ATOM 877 CD ARG A 54 8.772 7.667 6.985 1.00 1.09 C +ATOM 878 NE ARG A 54 10.009 8.396 7.382 1.00 1.40 N +ATOM 879 CZ ARG A 54 10.254 8.632 8.637 1.00 1.87 C +ATOM 880 NH1 ARG A 54 10.719 7.683 9.399 1.00 2.47 N +ATOM 881 NH2 ARG A 54 10.035 9.816 9.133 1.00 2.46 N +ATOM 882 H ARG A 54 6.344 5.236 3.555 1.00 0.34 H +ATOM 883 HA ARG A 54 8.025 7.652 3.100 1.00 0.38 H +ATOM 884 HB2 ARG A 54 7.543 5.930 5.357 1.00 0.76 H +ATOM 885 HB3 ARG A 54 9.257 5.874 4.943 1.00 0.79 H +ATOM 886 HG2 ARG A 54 9.402 8.307 5.032 1.00 1.47 H +ATOM 887 HG3 ARG A 54 7.664 8.426 5.313 1.00 1.66 H +ATOM 888 HD2 ARG A 54 7.929 8.074 7.521 1.00 1.82 H +ATOM 889 HD3 ARG A 54 8.876 6.618 7.224 1.00 1.61 H +ATOM 890 HE ARG A 54 10.641 8.699 6.697 1.00 1.89 H +ATOM 891 HH11 ARG A 54 10.887 6.774 9.016 1.00 2.73 H +ATOM 892 HH12 ARG A 54 10.910 7.862 10.362 1.00 3.03 H +ATOM 893 HH21 ARG A 54 9.680 10.544 8.547 1.00 2.76 H +ATOM 894 HH22 ARG A 54 10.226 9.998 10.097 1.00 2.96 H +ATOM 895 N GLN A 55 10.062 6.439 2.107 1.00 0.53 N +ATOM 896 CA GLN A 55 11.050 5.709 1.264 1.00 0.46 C +ATOM 897 C GLN A 55 10.308 5.032 0.111 1.00 0.53 C +ATOM 898 O GLN A 55 10.193 3.826 0.056 1.00 1.30 O +ATOM 899 CB GLN A 55 11.759 4.650 2.111 1.00 0.55 C +ATOM 900 CG GLN A 55 13.251 4.974 2.186 1.00 1.05 C +ATOM 901 CD GLN A 55 13.542 5.750 3.472 1.00 1.22 C +ATOM 902 OE1 GLN A 55 12.710 5.822 4.354 1.00 1.82 O +ATOM 903 NE2 GLN A 55 14.698 6.338 3.616 1.00 1.89 N +ATOM 904 H GLN A 55 10.215 7.377 2.347 1.00 1.19 H +ATOM 905 HA GLN A 55 11.776 6.406 0.870 1.00 0.53 H +ATOM 906 HB2 GLN A 55 11.340 4.644 3.107 1.00 0.71 H +ATOM 907 HB3 GLN A 55 11.626 3.678 1.658 1.00 1.00 H +ATOM 908 HG2 GLN A 55 13.820 4.055 2.181 1.00 1.76 H +ATOM 909 HG3 GLN A 55 13.530 5.575 1.335 1.00 1.67 H +ATOM 910 HE21 GLN A 55 15.369 6.280 2.904 1.00 2.32 H +ATOM 911 HE22 GLN A 55 14.895 6.838 4.435 1.00 2.39 H +ATOM 912 N PHE A 56 9.791 5.807 -0.801 1.00 0.64 N +ATOM 913 CA PHE A 56 9.035 5.228 -1.949 1.00 0.57 C +ATOM 914 C PHE A 56 10.002 4.576 -2.944 1.00 0.71 C +ATOM 915 O PHE A 56 10.000 3.374 -3.124 1.00 1.62 O +ATOM 916 CB PHE A 56 8.267 6.356 -2.637 1.00 0.62 C +ATOM 917 CG PHE A 56 7.213 5.805 -3.572 1.00 0.57 C +ATOM 918 CD1 PHE A 56 6.938 4.430 -3.629 1.00 1.37 C +ATOM 919 CD2 PHE A 56 6.504 6.690 -4.386 1.00 1.31 C +ATOM 920 CE1 PHE A 56 5.953 3.951 -4.507 1.00 1.40 C +ATOM 921 CE2 PHE A 56 5.522 6.212 -5.260 1.00 1.40 C +ATOM 922 CZ PHE A 56 5.249 4.842 -5.323 1.00 0.79 C +ATOM 923 H PHE A 56 9.889 6.779 -0.725 1.00 1.28 H +ATOM 924 HA PHE A 56 8.339 4.490 -1.582 1.00 0.53 H +ATOM 925 HB2 PHE A 56 7.788 6.966 -1.886 1.00 0.66 H +ATOM 926 HB3 PHE A 56 8.959 6.965 -3.200 1.00 0.80 H +ATOM 927 HD1 PHE A 56 7.482 3.741 -3.004 1.00 2.26 H +ATOM 928 HD2 PHE A 56 6.705 7.752 -4.327 1.00 2.17 H +ATOM 929 HE1 PHE A 56 5.732 2.896 -4.550 1.00 2.26 H +ATOM 930 HE2 PHE A 56 4.978 6.900 -5.890 1.00 2.29 H +ATOM 931 HZ PHE A 56 4.493 4.472 -5.998 1.00 0.95 H +ATOM 932 N GLU A 57 10.824 5.355 -3.595 1.00 0.67 N +ATOM 933 CA GLU A 57 11.784 4.768 -4.576 1.00 0.65 C +ATOM 934 C GLU A 57 12.637 3.708 -3.882 1.00 0.58 C +ATOM 935 O GLU A 57 13.002 2.709 -4.467 1.00 0.58 O +ATOM 936 CB GLU A 57 12.703 5.861 -5.118 1.00 0.80 C +ATOM 937 CG GLU A 57 11.991 6.634 -6.229 1.00 1.16 C +ATOM 938 CD GLU A 57 12.794 7.891 -6.571 1.00 1.75 C +ATOM 939 OE1 GLU A 57 13.812 8.110 -5.935 1.00 2.34 O +ATOM 940 OE2 GLU A 57 12.378 8.612 -7.462 1.00 2.41 O +ATOM 941 H GLU A 57 10.810 6.322 -3.440 1.00 1.34 H +ATOM 942 HA GLU A 57 11.238 4.318 -5.392 1.00 0.66 H +ATOM 943 HB2 GLU A 57 12.966 6.536 -4.317 1.00 1.21 H +ATOM 944 HB3 GLU A 57 13.597 5.405 -5.514 1.00 1.06 H +ATOM 945 HG2 GLU A 57 11.908 6.009 -7.106 1.00 1.71 H +ATOM 946 HG3 GLU A 57 11.004 6.919 -5.896 1.00 1.62 H +ATOM 947 N GLN A 58 12.961 3.924 -2.638 1.00 0.58 N +ATOM 948 CA GLN A 58 13.786 2.942 -1.899 1.00 0.60 C +ATOM 949 C GLN A 58 12.982 1.655 -1.731 1.00 0.53 C +ATOM 950 O GLN A 58 13.524 0.569 -1.730 1.00 0.56 O +ATOM 951 CB GLN A 58 14.158 3.516 -0.530 1.00 0.69 C +ATOM 952 CG GLN A 58 15.064 4.735 -0.723 1.00 0.94 C +ATOM 953 CD GLN A 58 16.526 4.322 -0.542 1.00 1.56 C +ATOM 954 OE1 GLN A 58 16.810 3.268 -0.008 1.00 2.34 O +ATOM 955 NE2 GLN A 58 17.472 5.114 -0.966 1.00 1.94 N +ATOM 956 H GLN A 58 12.664 4.732 -2.195 1.00 0.61 H +ATOM 957 HA GLN A 58 14.680 2.741 -2.460 1.00 0.68 H +ATOM 958 HB2 GLN A 58 13.260 3.812 -0.007 1.00 0.78 H +ATOM 959 HB3 GLN A 58 14.682 2.768 0.046 1.00 0.82 H +ATOM 960 HG2 GLN A 58 14.923 5.132 -1.718 1.00 1.18 H +ATOM 961 HG3 GLN A 58 14.813 5.490 0.004 1.00 1.25 H +ATOM 962 HE21 GLN A 58 17.243 5.964 -1.397 1.00 2.09 H +ATOM 963 HE22 GLN A 58 18.412 4.859 -0.855 1.00 2.49 H +ATOM 964 N SER A 59 11.685 1.773 -1.611 1.00 0.52 N +ATOM 965 CA SER A 59 10.829 0.560 -1.473 1.00 0.52 C +ATOM 966 C SER A 59 10.318 0.172 -2.859 1.00 0.44 C +ATOM 967 O SER A 59 9.371 -0.576 -3.002 1.00 0.48 O +ATOM 968 CB SER A 59 9.639 0.859 -0.562 1.00 0.65 C +ATOM 969 OG SER A 59 9.861 0.266 0.709 1.00 1.39 O +ATOM 970 H SER A 59 11.273 2.661 -1.630 1.00 0.57 H +ATOM 971 HA SER A 59 11.414 -0.253 -1.061 1.00 0.57 H +ATOM 972 HB2 SER A 59 9.530 1.923 -0.444 1.00 1.32 H +ATOM 973 HB3 SER A 59 8.739 0.455 -1.005 1.00 1.16 H +ATOM 974 HG SER A 59 9.090 0.437 1.254 1.00 1.85 H +ATOM 975 N LYS A 60 10.954 0.675 -3.881 1.00 0.41 N +ATOM 976 CA LYS A 60 10.532 0.342 -5.266 1.00 0.42 C +ATOM 977 C LYS A 60 11.614 -0.520 -5.922 1.00 0.44 C +ATOM 978 O LYS A 60 11.326 -1.436 -6.666 1.00 0.55 O +ATOM 979 CB LYS A 60 10.356 1.636 -6.062 1.00 0.51 C +ATOM 980 CG LYS A 60 9.518 1.361 -7.311 1.00 1.03 C +ATOM 981 CD LYS A 60 9.317 2.665 -8.084 1.00 1.61 C +ATOM 982 CE LYS A 60 9.529 2.412 -9.575 1.00 2.36 C +ATOM 983 NZ LYS A 60 10.507 3.397 -10.112 1.00 3.11 N +ATOM 984 H LYS A 60 11.719 1.272 -3.737 1.00 0.45 H +ATOM 985 HA LYS A 60 9.599 -0.201 -5.242 1.00 0.45 H +ATOM 986 HB2 LYS A 60 9.855 2.369 -5.448 1.00 0.84 H +ATOM 987 HB3 LYS A 60 11.324 2.012 -6.356 1.00 0.92 H +ATOM 988 HG2 LYS A 60 10.029 0.643 -7.938 1.00 1.56 H +ATOM 989 HG3 LYS A 60 8.557 0.967 -7.020 1.00 1.36 H +ATOM 990 HD2 LYS A 60 8.313 3.027 -7.920 1.00 2.03 H +ATOM 991 HD3 LYS A 60 10.027 3.403 -7.741 1.00 2.04 H +ATOM 992 HE2 LYS A 60 9.908 1.412 -9.721 1.00 2.76 H +ATOM 993 HE3 LYS A 60 8.588 2.521 -10.093 1.00 2.69 H +ATOM 994 HZ1 LYS A 60 10.227 4.356 -9.825 1.00 3.41 H +ATOM 995 HZ2 LYS A 60 11.453 3.188 -9.737 1.00 3.45 H +ATOM 996 HZ3 LYS A 60 10.522 3.336 -11.150 1.00 3.55 H +ATOM 997 N GLN A 61 12.860 -0.228 -5.655 1.00 0.51 N +ATOM 998 CA GLN A 61 13.963 -1.020 -6.264 1.00 0.62 C +ATOM 999 C GLN A 61 14.010 -2.425 -5.651 1.00 0.60 C +ATOM 1000 O GLN A 61 13.841 -3.416 -6.332 1.00 0.66 O +ATOM 1001 CB GLN A 61 15.297 -0.315 -6.006 1.00 0.73 C +ATOM 1002 CG GLN A 61 15.326 1.021 -6.751 1.00 1.14 C +ATOM 1003 CD GLN A 61 16.704 1.221 -7.385 1.00 1.66 C +ATOM 1004 OE1 GLN A 61 17.499 0.303 -7.440 1.00 2.16 O +ATOM 1005 NE2 GLN A 61 17.024 2.390 -7.868 1.00 2.39 N +ATOM 1006 H GLN A 61 13.070 0.519 -5.059 1.00 0.58 H +ATOM 1007 HA GLN A 61 13.798 -1.092 -7.320 1.00 0.68 H +ATOM 1008 HB2 GLN A 61 15.410 -0.139 -4.945 1.00 0.81 H +ATOM 1009 HB3 GLN A 61 16.106 -0.938 -6.356 1.00 0.88 H +ATOM 1010 HG2 GLN A 61 14.571 1.019 -7.523 1.00 1.53 H +ATOM 1011 HG3 GLN A 61 15.131 1.825 -6.057 1.00 1.54 H +ATOM 1012 HE21 GLN A 61 16.383 3.131 -7.822 1.00 2.75 H +ATOM 1013 HE22 GLN A 61 17.904 2.528 -8.276 1.00 2.92 H +ATOM 1014 N LEU A 62 14.264 -2.497 -4.372 1.00 0.64 N +ATOM 1015 CA LEU A 62 14.358 -3.820 -3.661 1.00 0.71 C +ATOM 1016 C LEU A 62 13.391 -4.833 -4.276 1.00 0.67 C +ATOM 1017 O LEU A 62 13.653 -6.019 -4.302 1.00 0.94 O +ATOM 1018 CB LEU A 62 13.995 -3.678 -2.170 1.00 0.78 C +ATOM 1019 CG LEU A 62 13.609 -2.241 -1.817 1.00 0.78 C +ATOM 1020 CD1 LEU A 62 12.330 -1.844 -2.561 1.00 0.66 C +ATOM 1021 CD2 LEU A 62 13.367 -2.146 -0.310 1.00 0.94 C +ATOM 1022 H LEU A 62 14.415 -1.673 -3.879 1.00 0.70 H +ATOM 1023 HA LEU A 62 15.366 -4.197 -3.745 1.00 0.80 H +ATOM 1024 HB2 LEU A 62 13.165 -4.329 -1.946 1.00 0.78 H +ATOM 1025 HB3 LEU A 62 14.843 -3.970 -1.571 1.00 0.89 H +ATOM 1026 HG LEU A 62 14.411 -1.572 -2.092 1.00 0.81 H +ATOM 1027 HD11 LEU A 62 12.281 -2.353 -3.506 1.00 1.33 H +ATOM 1028 HD12 LEU A 62 11.465 -2.111 -1.971 1.00 1.10 H +ATOM 1029 HD13 LEU A 62 12.337 -0.784 -2.731 1.00 1.10 H +ATOM 1030 HD21 LEU A 62 12.694 -2.933 -0.004 1.00 1.39 H +ATOM 1031 HD22 LEU A 62 14.306 -2.252 0.212 1.00 1.38 H +ATOM 1032 HD23 LEU A 62 12.930 -1.187 -0.076 1.00 1.48 H +ATOM 1033 N THR A 63 12.276 -4.379 -4.770 1.00 0.58 N +ATOM 1034 CA THR A 63 11.298 -5.309 -5.376 1.00 0.70 C +ATOM 1035 C THR A 63 10.933 -4.785 -6.761 1.00 0.81 C +ATOM 1036 O THR A 63 9.802 -4.445 -7.030 1.00 0.89 O +ATOM 1037 CB THR A 63 10.042 -5.450 -4.482 1.00 0.65 C +ATOM 1038 OG1 THR A 63 8.893 -5.599 -5.300 1.00 0.72 O +ATOM 1039 CG2 THR A 63 9.848 -4.231 -3.559 1.00 0.52 C +ATOM 1040 H THR A 63 12.087 -3.425 -4.752 1.00 0.65 H +ATOM 1041 HA THR A 63 11.761 -6.276 -5.486 1.00 0.91 H +ATOM 1042 HB THR A 63 10.150 -6.332 -3.870 1.00 0.82 H +ATOM 1043 HG1 THR A 63 9.001 -6.400 -5.817 1.00 1.10 H +ATOM 1044 HG21 THR A 63 10.697 -3.574 -3.623 1.00 1.22 H +ATOM 1045 HG22 THR A 63 8.959 -3.696 -3.856 1.00 1.12 H +ATOM 1046 HG23 THR A 63 9.735 -4.567 -2.537 1.00 1.06 H +ATOM 1047 N GLU A 64 11.921 -4.721 -7.629 1.00 0.95 N +ATOM 1048 CA GLU A 64 11.731 -4.227 -9.035 1.00 1.21 C +ATOM 1049 C GLU A 64 10.247 -4.117 -9.389 1.00 1.18 C +ATOM 1050 O GLU A 64 9.570 -5.108 -9.578 1.00 1.53 O +ATOM 1051 CB GLU A 64 12.403 -5.214 -9.993 1.00 1.55 C +ATOM 1052 CG GLU A 64 12.903 -4.472 -11.231 1.00 1.91 C +ATOM 1053 CD GLU A 64 14.052 -5.257 -11.865 1.00 2.44 C +ATOM 1054 OE1 GLU A 64 14.291 -6.373 -11.432 1.00 3.09 O +ATOM 1055 OE2 GLU A 64 14.675 -4.730 -12.771 1.00 2.79 O +ATOM 1056 H GLU A 64 12.817 -5.003 -7.344 1.00 0.95 H +ATOM 1057 HA GLU A 64 12.197 -3.260 -9.140 1.00 1.31 H +ATOM 1058 HB2 GLU A 64 13.237 -5.686 -9.495 1.00 1.89 H +ATOM 1059 HB3 GLU A 64 11.689 -5.968 -10.291 1.00 1.80 H +ATOM 1060 HG2 GLU A 64 12.095 -4.376 -11.943 1.00 2.30 H +ATOM 1061 HG3 GLU A 64 13.252 -3.491 -10.947 1.00 2.19 H +ATOM 1062 N ASN A 65 9.732 -2.920 -9.470 1.00 1.70 N +ATOM 1063 CA ASN A 65 8.289 -2.761 -9.802 1.00 1.68 C +ATOM 1064 C ASN A 65 7.456 -3.157 -8.582 1.00 0.85 C +ATOM 1065 O ASN A 65 6.375 -3.697 -8.706 1.00 1.09 O +ATOM 1066 CB ASN A 65 7.944 -3.685 -10.974 1.00 2.27 C +ATOM 1067 CG ASN A 65 6.828 -3.063 -11.814 1.00 2.89 C +ATOM 1068 OD1 ASN A 65 6.854 -1.884 -12.103 1.00 3.24 O +ATOM 1069 ND2 ASN A 65 5.844 -3.815 -12.224 1.00 3.66 N +ATOM 1070 H ASN A 65 10.290 -2.131 -9.307 1.00 2.39 H +ATOM 1071 HA ASN A 65 8.085 -1.736 -10.071 1.00 2.30 H +ATOM 1072 HB2 ASN A 65 8.821 -3.829 -11.589 1.00 2.72 H +ATOM 1073 HB3 ASN A 65 7.613 -4.640 -10.593 1.00 2.52 H +ATOM 1074 HD21 ASN A 65 5.826 -4.768 -11.993 1.00 3.87 H +ATOM 1075 HD22 ASN A 65 5.124 -3.429 -12.766 1.00 4.28 H +ATOM 1076 N GLY A 66 7.968 -2.928 -7.401 1.00 0.56 N +ATOM 1077 CA GLY A 66 7.225 -3.330 -6.177 1.00 1.20 C +ATOM 1078 C GLY A 66 6.279 -2.227 -5.680 1.00 0.91 C +ATOM 1079 O GLY A 66 5.073 -2.381 -5.677 1.00 1.26 O +ATOM 1080 H GLY A 66 8.861 -2.521 -7.319 1.00 0.73 H +ATOM 1081 HA2 GLY A 66 6.652 -4.220 -6.387 1.00 1.86 H +ATOM 1082 HA3 GLY A 66 7.945 -3.548 -5.395 1.00 1.89 H +ATOM 1083 N ALA A 67 6.826 -1.155 -5.185 1.00 0.39 N +ATOM 1084 CA ALA A 67 5.996 -0.071 -4.590 1.00 0.46 C +ATOM 1085 C ALA A 67 5.313 0.846 -5.615 1.00 0.34 C +ATOM 1086 O ALA A 67 4.352 1.513 -5.286 1.00 0.53 O +ATOM 1087 CB ALA A 67 6.909 0.777 -3.713 1.00 0.64 C +ATOM 1088 H ALA A 67 7.795 -1.087 -5.142 1.00 0.28 H +ATOM 1089 HA ALA A 67 5.245 -0.516 -3.971 1.00 0.76 H +ATOM 1090 HB1 ALA A 67 7.781 1.063 -4.283 1.00 1.13 H +ATOM 1091 HB2 ALA A 67 6.385 1.660 -3.391 1.00 1.32 H +ATOM 1092 HB3 ALA A 67 7.213 0.202 -2.851 1.00 1.26 H +ATOM 1093 N GLU A 68 5.778 0.935 -6.823 1.00 0.27 N +ATOM 1094 CA GLU A 68 5.129 1.851 -7.769 1.00 0.38 C +ATOM 1095 C GLU A 68 3.751 1.292 -8.176 1.00 0.39 C +ATOM 1096 O GLU A 68 2.884 2.021 -8.617 1.00 0.49 O +ATOM 1097 CB GLU A 68 6.069 2.020 -8.971 1.00 0.51 C +ATOM 1098 CG GLU A 68 5.274 2.020 -10.258 1.00 1.38 C +ATOM 1099 CD GLU A 68 6.148 2.521 -11.410 1.00 1.57 C +ATOM 1100 OE1 GLU A 68 6.989 3.370 -11.165 1.00 1.83 O +ATOM 1101 OE2 GLU A 68 5.961 2.047 -12.518 1.00 2.27 O +ATOM 1102 H GLU A 68 6.553 0.431 -7.109 1.00 0.40 H +ATOM 1103 HA GLU A 68 4.997 2.803 -7.289 1.00 0.45 H +ATOM 1104 HB2 GLU A 68 6.607 2.952 -8.879 1.00 1.06 H +ATOM 1105 HB3 GLU A 68 6.773 1.201 -8.989 1.00 1.06 H +ATOM 1106 HG2 GLU A 68 4.950 1.011 -10.449 1.00 2.01 H +ATOM 1107 HG3 GLU A 68 4.418 2.664 -10.144 1.00 2.12 H +ATOM 1108 N SER A 69 3.544 0.011 -8.034 1.00 0.39 N +ATOM 1109 CA SER A 69 2.227 -0.585 -8.417 1.00 0.47 C +ATOM 1110 C SER A 69 1.196 -0.382 -7.297 1.00 0.37 C +ATOM 1111 O SER A 69 0.120 0.157 -7.510 1.00 0.35 O +ATOM 1112 CB SER A 69 2.405 -2.082 -8.669 1.00 0.58 C +ATOM 1113 OG SER A 69 2.127 -2.366 -10.033 1.00 0.90 O +ATOM 1114 H SER A 69 4.256 -0.563 -7.679 1.00 0.40 H +ATOM 1115 HA SER A 69 1.871 -0.112 -9.320 1.00 0.55 H +ATOM 1116 HB2 SER A 69 3.420 -2.368 -8.447 1.00 0.81 H +ATOM 1117 HB3 SER A 69 1.730 -2.635 -8.029 1.00 0.78 H +ATOM 1118 HG SER A 69 2.943 -2.269 -10.529 1.00 1.26 H +ATOM 1119 N VAL A 70 1.509 -0.818 -6.106 1.00 0.34 N +ATOM 1120 CA VAL A 70 0.544 -0.662 -4.984 1.00 0.27 C +ATOM 1121 C VAL A 70 0.107 0.793 -4.912 1.00 0.20 C +ATOM 1122 O VAL A 70 -1.057 1.098 -4.748 1.00 0.20 O +ATOM 1123 CB VAL A 70 1.215 -1.063 -3.671 1.00 0.31 C +ATOM 1124 CG1 VAL A 70 0.288 -0.737 -2.499 1.00 0.29 C +ATOM 1125 CG2 VAL A 70 1.504 -2.565 -3.687 1.00 0.41 C +ATOM 1126 H VAL A 70 2.375 -1.246 -5.951 1.00 0.38 H +ATOM 1127 HA VAL A 70 -0.317 -1.290 -5.158 1.00 0.28 H +ATOM 1128 HB VAL A 70 2.138 -0.519 -3.561 1.00 0.33 H +ATOM 1129 HG11 VAL A 70 -0.469 -0.036 -2.819 1.00 1.06 H +ATOM 1130 HG12 VAL A 70 -0.186 -1.644 -2.153 1.00 1.07 H +ATOM 1131 HG13 VAL A 70 0.863 -0.303 -1.696 1.00 1.02 H +ATOM 1132 HG21 VAL A 70 0.701 -3.081 -4.191 1.00 1.06 H +ATOM 1133 HG22 VAL A 70 2.432 -2.747 -4.209 1.00 1.03 H +ATOM 1134 HG23 VAL A 70 1.585 -2.927 -2.673 1.00 0.96 H +ATOM 1135 N LEU A 71 1.033 1.696 -5.048 1.00 0.24 N +ATOM 1136 CA LEU A 71 0.663 3.134 -5.002 1.00 0.23 C +ATOM 1137 C LEU A 71 -0.340 3.411 -6.113 1.00 0.23 C +ATOM 1138 O LEU A 71 -1.335 4.061 -5.909 1.00 0.23 O +ATOM 1139 CB LEU A 71 1.897 3.996 -5.229 1.00 0.30 C +ATOM 1140 CG LEU A 71 1.476 5.464 -5.305 1.00 0.35 C +ATOM 1141 CD1 LEU A 71 1.177 5.986 -3.899 1.00 0.36 C +ATOM 1142 CD2 LEU A 71 2.605 6.290 -5.924 1.00 0.43 C +ATOM 1143 H LEU A 71 1.966 1.424 -5.191 1.00 0.31 H +ATOM 1144 HA LEU A 71 0.223 3.368 -4.044 1.00 0.21 H +ATOM 1145 HB2 LEU A 71 2.595 3.856 -4.416 1.00 0.30 H +ATOM 1146 HB3 LEU A 71 2.355 3.708 -6.157 1.00 0.34 H +ATOM 1147 HG LEU A 71 0.588 5.549 -5.916 1.00 0.40 H +ATOM 1148 HD11 LEU A 71 0.910 5.159 -3.258 1.00 1.03 H +ATOM 1149 HD12 LEU A 71 2.053 6.479 -3.504 1.00 1.04 H +ATOM 1150 HD13 LEU A 71 0.357 6.687 -3.942 1.00 1.06 H +ATOM 1151 HD21 LEU A 71 3.189 5.665 -6.584 1.00 1.11 H +ATOM 1152 HD22 LEU A 71 2.185 7.111 -6.485 1.00 1.14 H +ATOM 1153 HD23 LEU A 71 3.238 6.677 -5.140 1.00 1.05 H +ATOM 1154 N GLN A 72 -0.083 2.914 -7.289 1.00 0.28 N +ATOM 1155 CA GLN A 72 -1.027 3.138 -8.419 1.00 0.30 C +ATOM 1156 C GLN A 72 -2.417 2.716 -7.977 1.00 0.25 C +ATOM 1157 O GLN A 72 -3.408 3.314 -8.334 1.00 0.25 O +ATOM 1158 CB GLN A 72 -0.583 2.279 -9.617 1.00 0.35 C +ATOM 1159 CG GLN A 72 -1.789 1.868 -10.473 1.00 1.18 C +ATOM 1160 CD GLN A 72 -1.304 1.317 -11.813 1.00 1.42 C +ATOM 1161 OE1 GLN A 72 -1.069 2.064 -12.742 1.00 1.78 O +ATOM 1162 NE2 GLN A 72 -1.144 0.029 -11.955 1.00 1.97 N +ATOM 1163 H GLN A 72 0.729 2.385 -7.429 1.00 0.33 H +ATOM 1164 HA GLN A 72 -1.035 4.183 -8.688 1.00 0.31 H +ATOM 1165 HB2 GLN A 72 0.102 2.839 -10.221 1.00 0.83 H +ATOM 1166 HB3 GLN A 72 -0.089 1.391 -9.253 1.00 0.78 H +ATOM 1167 HG2 GLN A 72 -2.354 1.107 -9.953 1.00 1.81 H +ATOM 1168 HG3 GLN A 72 -2.419 2.728 -10.645 1.00 1.80 H +ATOM 1169 HE21 GLN A 72 -1.334 -0.574 -11.206 1.00 2.20 H +ATOM 1170 HE22 GLN A 72 -0.834 -0.334 -12.811 1.00 2.45 H +ATOM 1171 N VAL A 73 -2.487 1.666 -7.230 1.00 0.23 N +ATOM 1172 CA VAL A 73 -3.797 1.162 -6.774 1.00 0.20 C +ATOM 1173 C VAL A 73 -4.352 2.055 -5.661 1.00 0.16 C +ATOM 1174 O VAL A 73 -5.547 2.201 -5.514 1.00 0.16 O +ATOM 1175 CB VAL A 73 -3.590 -0.254 -6.268 1.00 0.21 C +ATOM 1176 CG1 VAL A 73 -4.840 -0.752 -5.547 1.00 0.20 C +ATOM 1177 CG2 VAL A 73 -3.258 -1.151 -7.468 1.00 0.26 C +ATOM 1178 H VAL A 73 -1.670 1.188 -6.985 1.00 0.24 H +ATOM 1179 HA VAL A 73 -4.479 1.151 -7.604 1.00 0.22 H +ATOM 1180 HB VAL A 73 -2.769 -0.256 -5.582 1.00 0.21 H +ATOM 1181 HG11 VAL A 73 -5.470 0.090 -5.302 1.00 1.02 H +ATOM 1182 HG12 VAL A 73 -5.383 -1.429 -6.187 1.00 1.04 H +ATOM 1183 HG13 VAL A 73 -4.554 -1.261 -4.642 1.00 1.05 H +ATOM 1184 HG21 VAL A 73 -3.680 -0.717 -8.366 1.00 1.00 H +ATOM 1185 HG22 VAL A 73 -2.183 -1.216 -7.579 1.00 1.08 H +ATOM 1186 HG23 VAL A 73 -3.668 -2.140 -7.314 1.00 1.09 H +ATOM 1187 N PHE A 74 -3.501 2.649 -4.873 1.00 0.15 N +ATOM 1188 CA PHE A 74 -4.001 3.529 -3.773 1.00 0.14 C +ATOM 1189 C PHE A 74 -4.501 4.858 -4.358 1.00 0.16 C +ATOM 1190 O PHE A 74 -5.460 5.440 -3.887 1.00 0.18 O +ATOM 1191 CB PHE A 74 -2.868 3.807 -2.778 1.00 0.14 C +ATOM 1192 CG PHE A 74 -2.926 2.806 -1.651 1.00 0.12 C +ATOM 1193 CD1 PHE A 74 -3.895 2.932 -0.650 1.00 0.16 C +ATOM 1194 CD2 PHE A 74 -2.007 1.751 -1.608 1.00 0.16 C +ATOM 1195 CE1 PHE A 74 -3.946 2.003 0.395 1.00 0.18 C +ATOM 1196 CE2 PHE A 74 -2.058 0.822 -0.563 1.00 0.19 C +ATOM 1197 CZ PHE A 74 -3.027 0.949 0.439 1.00 0.19 C +ATOM 1198 H PHE A 74 -2.537 2.512 -5.002 1.00 0.16 H +ATOM 1199 HA PHE A 74 -4.814 3.036 -3.262 1.00 0.13 H +ATOM 1200 HB2 PHE A 74 -1.915 3.724 -3.278 1.00 0.17 H +ATOM 1201 HB3 PHE A 74 -2.979 4.803 -2.377 1.00 0.17 H +ATOM 1202 HD1 PHE A 74 -4.602 3.748 -0.683 1.00 0.21 H +ATOM 1203 HD2 PHE A 74 -1.260 1.654 -2.381 1.00 0.21 H +ATOM 1204 HE1 PHE A 74 -4.694 2.098 1.167 1.00 0.24 H +ATOM 1205 HE2 PHE A 74 -1.349 0.008 -0.529 1.00 0.26 H +ATOM 1206 HZ PHE A 74 -3.065 0.235 1.245 1.00 0.23 H +ATOM 1207 N ARG A 75 -3.859 5.334 -5.388 1.00 0.19 N +ATOM 1208 CA ARG A 75 -4.271 6.610 -6.018 1.00 0.23 C +ATOM 1209 C ARG A 75 -5.453 6.341 -6.929 1.00 0.24 C +ATOM 1210 O ARG A 75 -6.368 7.124 -7.030 1.00 0.33 O +ATOM 1211 CB ARG A 75 -3.119 7.150 -6.851 1.00 0.26 C +ATOM 1212 CG ARG A 75 -1.995 7.625 -5.930 1.00 0.54 C +ATOM 1213 CD ARG A 75 -1.790 9.130 -6.107 1.00 1.28 C +ATOM 1214 NE ARG A 75 -1.186 9.394 -7.445 1.00 1.38 N +ATOM 1215 CZ ARG A 75 -1.177 10.604 -7.930 1.00 1.76 C +ATOM 1216 NH1 ARG A 75 -1.310 11.627 -7.134 1.00 2.43 N +ATOM 1217 NH2 ARG A 75 -1.032 10.790 -9.212 1.00 2.43 N +ATOM 1218 H ARG A 75 -3.112 4.847 -5.752 1.00 0.21 H +ATOM 1219 HA ARG A 75 -4.539 7.316 -5.258 1.00 0.23 H +ATOM 1220 HB2 ARG A 75 -2.755 6.364 -7.492 1.00 0.48 H +ATOM 1221 HB3 ARG A 75 -3.466 7.973 -7.453 1.00 0.51 H +ATOM 1222 HG2 ARG A 75 -2.259 7.415 -4.904 1.00 0.91 H +ATOM 1223 HG3 ARG A 75 -1.081 7.107 -6.179 1.00 1.01 H +ATOM 1224 HD2 ARG A 75 -2.741 9.634 -6.035 1.00 2.01 H +ATOM 1225 HD3 ARG A 75 -1.130 9.496 -5.334 1.00 1.94 H +ATOM 1226 HE ARG A 75 -0.793 8.660 -7.960 1.00 1.94 H +ATOM 1227 HH11 ARG A 75 -1.419 11.483 -6.150 1.00 2.67 H +ATOM 1228 HH12 ARG A 75 -1.301 12.554 -7.505 1.00 3.11 H +ATOM 1229 HH21 ARG A 75 -0.928 10.004 -9.821 1.00 2.68 H +ATOM 1230 HH22 ARG A 75 -1.023 11.717 -9.585 1.00 3.12 H +ATOM 1231 N GLU A 76 -5.429 5.219 -7.581 1.00 0.22 N +ATOM 1232 CA GLU A 76 -6.544 4.838 -8.482 1.00 0.23 C +ATOM 1233 C GLU A 76 -7.787 4.692 -7.616 1.00 0.21 C +ATOM 1234 O GLU A 76 -8.839 5.219 -7.917 1.00 0.23 O +ATOM 1235 CB GLU A 76 -6.206 3.501 -9.129 1.00 0.24 C +ATOM 1236 CG GLU A 76 -5.555 3.723 -10.494 1.00 0.30 C +ATOM 1237 CD GLU A 76 -6.631 4.058 -11.527 1.00 0.89 C +ATOM 1238 OE1 GLU A 76 -7.781 3.734 -11.282 1.00 1.65 O +ATOM 1239 OE2 GLU A 76 -6.286 4.632 -12.547 1.00 1.48 O +ATOM 1240 H GLU A 76 -4.674 4.615 -7.461 1.00 0.25 H +ATOM 1241 HA GLU A 76 -6.696 5.595 -9.236 1.00 0.26 H +ATOM 1242 HB2 GLU A 76 -5.521 2.982 -8.487 1.00 0.23 H +ATOM 1243 HB3 GLU A 76 -7.101 2.911 -9.243 1.00 0.24 H +ATOM 1244 HG2 GLU A 76 -4.850 4.539 -10.427 1.00 0.60 H +ATOM 1245 HG3 GLU A 76 -5.037 2.822 -10.793 1.00 0.60 H +ATOM 1246 N ALA A 77 -7.653 4.005 -6.512 1.00 0.18 N +ATOM 1247 CA ALA A 77 -8.796 3.857 -5.591 1.00 0.17 C +ATOM 1248 C ALA A 77 -9.143 5.259 -5.113 1.00 0.19 C +ATOM 1249 O ALA A 77 -10.294 5.632 -5.003 1.00 0.20 O +ATOM 1250 CB ALA A 77 -8.403 2.975 -4.403 1.00 0.17 C +ATOM 1251 H ALA A 77 -6.794 3.616 -6.281 1.00 0.17 H +ATOM 1252 HA ALA A 77 -9.630 3.426 -6.117 1.00 0.18 H +ATOM 1253 HB1 ALA A 77 -7.980 2.047 -4.765 1.00 0.99 H +ATOM 1254 HB2 ALA A 77 -7.671 3.491 -3.799 1.00 0.97 H +ATOM 1255 HB3 ALA A 77 -9.280 2.762 -3.809 1.00 1.00 H +ATOM 1256 N LYS A 78 -8.133 6.059 -4.876 1.00 0.21 N +ATOM 1257 CA LYS A 78 -8.377 7.464 -4.462 1.00 0.24 C +ATOM 1258 C LYS A 78 -9.200 8.121 -5.560 1.00 0.28 C +ATOM 1259 O LYS A 78 -9.990 9.016 -5.336 1.00 0.32 O +ATOM 1260 CB LYS A 78 -7.038 8.187 -4.372 1.00 0.26 C +ATOM 1261 CG LYS A 78 -7.077 9.218 -3.247 1.00 0.32 C +ATOM 1262 CD LYS A 78 -7.173 10.619 -3.855 1.00 0.70 C +ATOM 1263 CE LYS A 78 -7.216 11.663 -2.738 1.00 0.99 C +ATOM 1264 NZ LYS A 78 -6.353 12.821 -3.109 1.00 1.50 N +ATOM 1265 H LYS A 78 -7.205 5.741 -5.008 1.00 0.20 H +ATOM 1266 HA LYS A 78 -8.897 7.503 -3.517 1.00 0.25 H +ATOM 1267 HB2 LYS A 78 -6.256 7.469 -4.188 1.00 0.26 H +ATOM 1268 HB3 LYS A 78 -6.847 8.688 -5.310 1.00 0.29 H +ATOM 1269 HG2 LYS A 78 -7.936 9.035 -2.617 1.00 0.54 H +ATOM 1270 HG3 LYS A 78 -6.175 9.145 -2.659 1.00 0.56 H +ATOM 1271 HD2 LYS A 78 -6.310 10.797 -4.479 1.00 1.49 H +ATOM 1272 HD3 LYS A 78 -8.071 10.693 -4.451 1.00 1.45 H +ATOM 1273 HE2 LYS A 78 -8.234 12.000 -2.596 1.00 1.62 H +ATOM 1274 HE3 LYS A 78 -6.853 11.223 -1.821 1.00 1.76 H +ATOM 1275 HZ1 LYS A 78 -5.937 12.657 -4.047 1.00 1.97 H +ATOM 1276 HZ2 LYS A 78 -6.926 13.690 -3.132 1.00 2.06 H +ATOM 1277 HZ3 LYS A 78 -5.592 12.925 -2.409 1.00 1.84 H +ATOM 1278 N ALA A 79 -8.984 7.664 -6.756 1.00 0.28 N +ATOM 1279 CA ALA A 79 -9.690 8.204 -7.933 1.00 0.33 C +ATOM 1280 C ALA A 79 -11.110 7.645 -7.972 1.00 0.32 C +ATOM 1281 O ALA A 79 -12.027 8.262 -8.477 1.00 0.38 O +ATOM 1282 CB ALA A 79 -8.920 7.757 -9.173 1.00 0.35 C +ATOM 1283 H ALA A 79 -8.334 6.953 -6.883 1.00 0.26 H +ATOM 1284 HA ALA A 79 -9.710 9.274 -7.882 1.00 0.36 H +ATOM 1285 HB1 ALA A 79 -7.858 7.825 -8.973 1.00 1.09 H +ATOM 1286 HB2 ALA A 79 -9.174 6.731 -9.402 1.00 1.05 H +ATOM 1287 HB3 ALA A 79 -9.174 8.391 -10.008 1.00 1.07 H +ATOM 1288 N GLU A 80 -11.285 6.472 -7.440 1.00 0.28 N +ATOM 1289 CA GLU A 80 -12.620 5.829 -7.425 1.00 0.29 C +ATOM 1290 C GLU A 80 -13.585 6.626 -6.544 1.00 0.37 C +ATOM 1291 O GLU A 80 -14.762 6.332 -6.476 1.00 0.68 O +ATOM 1292 CB GLU A 80 -12.466 4.417 -6.865 1.00 0.32 C +ATOM 1293 CG GLU A 80 -12.076 3.469 -7.995 1.00 0.45 C +ATOM 1294 CD GLU A 80 -13.336 2.876 -8.627 1.00 0.67 C +ATOM 1295 OE1 GLU A 80 -13.927 3.543 -9.460 1.00 1.40 O +ATOM 1296 OE2 GLU A 80 -13.688 1.764 -8.269 1.00 1.30 O +ATOM 1297 H GLU A 80 -10.526 6.003 -7.052 1.00 0.27 H +ATOM 1298 HA GLU A 80 -13.000 5.776 -8.429 1.00 0.36 H +ATOM 1299 HB2 GLU A 80 -11.691 4.415 -6.111 1.00 0.36 H +ATOM 1300 HB3 GLU A 80 -13.393 4.092 -6.425 1.00 0.36 H +ATOM 1301 HG2 GLU A 80 -11.518 4.013 -8.744 1.00 0.62 H +ATOM 1302 HG3 GLU A 80 -11.466 2.678 -7.597 1.00 0.74 H +ATOM 1303 N GLY A 81 -13.098 7.621 -5.858 1.00 0.39 N +ATOM 1304 CA GLY A 81 -13.987 8.421 -4.973 1.00 0.45 C +ATOM 1305 C GLY A 81 -13.572 8.186 -3.522 1.00 0.39 C +ATOM 1306 O GLY A 81 -13.963 8.908 -2.626 1.00 0.45 O +ATOM 1307 H GLY A 81 -12.145 7.837 -5.915 1.00 0.59 H +ATOM 1308 HA2 GLY A 81 -13.891 9.470 -5.215 1.00 0.54 H +ATOM 1309 HA3 GLY A 81 -15.011 8.108 -5.108 1.00 0.53 H +ATOM 1310 N CYS A 82 -12.776 7.179 -3.288 1.00 0.41 N +ATOM 1311 CA CYS A 82 -12.322 6.888 -1.905 1.00 0.38 C +ATOM 1312 C CYS A 82 -11.476 8.057 -1.395 1.00 0.38 C +ATOM 1313 O CYS A 82 -10.977 8.854 -2.164 1.00 0.49 O +ATOM 1314 CB CYS A 82 -11.480 5.614 -1.920 1.00 0.39 C +ATOM 1315 SG CYS A 82 -12.566 4.168 -1.820 1.00 0.63 S +ATOM 1316 H CYS A 82 -12.471 6.613 -4.028 1.00 0.52 H +ATOM 1317 HA CYS A 82 -13.178 6.749 -1.262 1.00 0.42 H +ATOM 1318 HB2 CYS A 82 -10.908 5.571 -2.835 1.00 0.43 H +ATOM 1319 HB3 CYS A 82 -10.809 5.621 -1.079 1.00 0.46 H +ATOM 1320 HG CYS A 82 -12.734 3.862 -2.714 1.00 1.11 H +ATOM 1321 N ASP A 83 -11.316 8.173 -0.105 1.00 0.32 N +ATOM 1322 CA ASP A 83 -10.510 9.298 0.444 1.00 0.37 C +ATOM 1323 C ASP A 83 -9.188 8.769 1.009 1.00 0.36 C +ATOM 1324 O ASP A 83 -8.935 8.844 2.195 1.00 0.57 O +ATOM 1325 CB ASP A 83 -11.305 9.984 1.553 1.00 0.42 C +ATOM 1326 CG ASP A 83 -10.709 11.364 1.834 1.00 0.53 C +ATOM 1327 OD1 ASP A 83 -9.782 11.437 2.624 1.00 1.11 O +ATOM 1328 OD2 ASP A 83 -11.191 12.324 1.255 1.00 1.30 O +ATOM 1329 H ASP A 83 -11.732 7.528 0.503 1.00 0.31 H +ATOM 1330 HA ASP A 83 -10.306 10.009 -0.342 1.00 0.40 H +ATOM 1331 HB2 ASP A 83 -12.334 10.089 1.243 1.00 0.43 H +ATOM 1332 HB3 ASP A 83 -11.261 9.385 2.448 1.00 0.42 H +ATOM 1333 N ILE A 84 -8.339 8.244 0.168 1.00 0.33 N +ATOM 1334 CA ILE A 84 -7.028 7.720 0.652 1.00 0.31 C +ATOM 1335 C ILE A 84 -5.965 8.818 0.503 1.00 0.34 C +ATOM 1336 O ILE A 84 -5.289 8.905 -0.503 1.00 0.67 O +ATOM 1337 CB ILE A 84 -6.622 6.513 -0.191 1.00 0.30 C +ATOM 1338 CG1 ILE A 84 -7.546 5.345 0.117 1.00 0.50 C +ATOM 1339 CG2 ILE A 84 -5.182 6.114 0.131 1.00 0.28 C +ATOM 1340 CD1 ILE A 84 -8.049 4.762 -1.198 1.00 0.34 C +ATOM 1341 H ILE A 84 -8.560 8.200 -0.786 1.00 0.47 H +ATOM 1342 HA ILE A 84 -7.114 7.418 1.691 1.00 0.30 H +ATOM 1343 HB ILE A 84 -6.703 6.761 -1.238 1.00 0.42 H +ATOM 1344 HG12 ILE A 84 -7.004 4.590 0.666 1.00 0.80 H +ATOM 1345 HG13 ILE A 84 -8.385 5.689 0.702 1.00 0.80 H +ATOM 1346 HG21 ILE A 84 -4.696 6.913 0.673 1.00 1.00 H +ATOM 1347 HG22 ILE A 84 -5.185 5.220 0.737 1.00 1.04 H +ATOM 1348 HG23 ILE A 84 -4.649 5.924 -0.788 1.00 1.12 H +ATOM 1349 HD11 ILE A 84 -7.471 5.165 -2.015 1.00 1.10 H +ATOM 1350 HD12 ILE A 84 -7.944 3.689 -1.174 1.00 1.11 H +ATOM 1351 HD13 ILE A 84 -9.090 5.023 -1.327 1.00 1.05 H +ATOM 1352 N THR A 85 -5.813 9.657 1.490 1.00 0.49 N +ATOM 1353 CA THR A 85 -4.796 10.748 1.400 1.00 0.50 C +ATOM 1354 C THR A 85 -3.430 10.156 1.047 1.00 0.47 C +ATOM 1355 O THR A 85 -2.721 9.661 1.897 1.00 0.60 O +ATOM 1356 CB THR A 85 -4.702 11.468 2.749 1.00 0.61 C +ATOM 1357 OG1 THR A 85 -5.862 12.265 2.940 1.00 0.76 O +ATOM 1358 CG2 THR A 85 -3.458 12.361 2.773 1.00 0.55 C +ATOM 1359 H THR A 85 -6.367 9.572 2.289 1.00 0.79 H +ATOM 1360 HA THR A 85 -5.092 11.452 0.637 1.00 0.50 H +ATOM 1361 HB THR A 85 -4.631 10.740 3.542 1.00 0.72 H +ATOM 1362 HG1 THR A 85 -6.135 12.177 3.857 1.00 1.32 H +ATOM 1363 HG21 THR A 85 -3.146 12.570 1.760 1.00 1.12 H +ATOM 1364 HG22 THR A 85 -3.689 13.287 3.277 1.00 1.07 H +ATOM 1365 HG23 THR A 85 -2.660 11.854 3.297 1.00 1.26 H +ATOM 1366 N ILE A 86 -3.051 10.211 -0.200 1.00 0.41 N +ATOM 1367 CA ILE A 86 -1.727 9.654 -0.602 1.00 0.40 C +ATOM 1368 C ILE A 86 -0.610 10.583 -0.118 1.00 0.44 C +ATOM 1369 O ILE A 86 -0.489 11.706 -0.564 1.00 0.59 O +ATOM 1370 CB ILE A 86 -1.665 9.540 -2.126 1.00 0.38 C +ATOM 1371 CG1 ILE A 86 -2.821 8.668 -2.620 1.00 0.74 C +ATOM 1372 CG2 ILE A 86 -0.331 8.915 -2.540 1.00 0.93 C +ATOM 1373 CD1 ILE A 86 -2.613 7.223 -2.166 1.00 0.32 C +ATOM 1374 H ILE A 86 -3.635 10.620 -0.872 1.00 0.45 H +ATOM 1375 HA ILE A 86 -1.599 8.676 -0.161 1.00 0.43 H +ATOM 1376 HB ILE A 86 -1.746 10.525 -2.561 1.00 0.74 H +ATOM 1377 HG12 ILE A 86 -3.749 9.042 -2.213 1.00 1.39 H +ATOM 1378 HG13 ILE A 86 -2.861 8.703 -3.698 1.00 1.38 H +ATOM 1379 HG21 ILE A 86 0.449 9.269 -1.883 1.00 1.48 H +ATOM 1380 HG22 ILE A 86 -0.397 7.840 -2.474 1.00 1.48 H +ATOM 1381 HG23 ILE A 86 -0.102 9.200 -3.556 1.00 1.49 H +ATOM 1382 HD11 ILE A 86 -2.100 7.212 -1.216 1.00 1.03 H +ATOM 1383 HD12 ILE A 86 -3.573 6.740 -2.063 1.00 1.11 H +ATOM 1384 HD13 ILE A 86 -2.023 6.696 -2.901 1.00 1.06 H +ATOM 1385 N ILE A 87 0.212 10.123 0.786 1.00 0.39 N +ATOM 1386 CA ILE A 87 1.322 10.982 1.287 1.00 0.44 C +ATOM 1387 C ILE A 87 2.659 10.368 0.860 1.00 0.44 C +ATOM 1388 O ILE A 87 3.132 9.413 1.442 1.00 0.55 O +ATOM 1389 CB ILE A 87 1.247 11.073 2.813 1.00 0.46 C +ATOM 1390 CG1 ILE A 87 0.091 11.995 3.208 1.00 0.57 C +ATOM 1391 CG2 ILE A 87 2.556 11.640 3.362 1.00 0.55 C +ATOM 1392 CD1 ILE A 87 -0.237 11.800 4.689 1.00 0.61 C +ATOM 1393 H ILE A 87 0.104 9.210 1.132 1.00 0.41 H +ATOM 1394 HA ILE A 87 1.230 11.971 0.862 1.00 0.49 H +ATOM 1395 HB ILE A 87 1.080 10.089 3.224 1.00 0.37 H +ATOM 1396 HG12 ILE A 87 0.376 13.023 3.034 1.00 0.71 H +ATOM 1397 HG13 ILE A 87 -0.779 11.757 2.614 1.00 0.68 H +ATOM 1398 HG21 ILE A 87 3.038 12.233 2.599 1.00 1.17 H +ATOM 1399 HG22 ILE A 87 2.346 12.260 4.221 1.00 1.25 H +ATOM 1400 HG23 ILE A 87 3.206 10.829 3.653 1.00 1.03 H +ATOM 1401 HD11 ILE A 87 0.679 11.687 5.249 1.00 1.21 H +ATOM 1402 HD12 ILE A 87 -0.779 12.660 5.054 1.00 1.12 H +ATOM 1403 HD13 ILE A 87 -0.845 10.915 4.809 1.00 1.29 H +ATOM 1404 N LEU A 88 3.259 10.902 -0.170 1.00 0.50 N +ATOM 1405 CA LEU A 88 4.552 10.348 -0.662 1.00 0.52 C +ATOM 1406 C LEU A 88 5.728 11.146 -0.093 1.00 0.56 C +ATOM 1407 O LEU A 88 5.984 12.263 -0.495 1.00 0.80 O +ATOM 1408 CB LEU A 88 4.558 10.413 -2.173 1.00 0.59 C +ATOM 1409 CG LEU A 88 3.653 9.297 -2.669 1.00 0.82 C +ATOM 1410 CD1 LEU A 88 2.691 9.851 -3.697 1.00 0.94 C +ATOM 1411 CD2 LEU A 88 4.496 8.193 -3.286 1.00 1.57 C +ATOM 1412 H LEU A 88 2.850 11.663 -0.631 1.00 0.63 H +ATOM 1413 HA LEU A 88 4.634 9.313 -0.376 1.00 0.49 H +ATOM 1414 HB2 LEU A 88 4.181 11.371 -2.501 1.00 0.76 H +ATOM 1415 HB3 LEU A 88 5.559 10.262 -2.546 1.00 0.68 H +ATOM 1416 HG LEU A 88 3.092 8.898 -1.837 1.00 1.63 H +ATOM 1417 HD11 LEU A 88 3.141 10.700 -4.183 1.00 1.44 H +ATOM 1418 HD12 LEU A 88 2.466 9.089 -4.426 1.00 1.46 H +ATOM 1419 HD13 LEU A 88 1.788 10.157 -3.198 1.00 1.55 H +ATOM 1420 HD21 LEU A 88 5.534 8.356 -3.037 1.00 1.91 H +ATOM 1421 HD22 LEU A 88 4.179 7.238 -2.894 1.00 2.31 H +ATOM 1422 HD23 LEU A 88 4.375 8.200 -4.359 1.00 2.02 H +ATOM 1423 N SER A 89 6.445 10.581 0.841 1.00 0.55 N +ATOM 1424 CA SER A 89 7.604 11.308 1.435 1.00 0.62 C +ATOM 1425 C SER A 89 8.908 10.659 0.968 1.00 0.85 C +ATOM 1426 O SER A 89 8.935 9.445 0.852 1.00 1.41 O +ATOM 1427 CB SER A 89 7.520 11.241 2.961 1.00 0.87 C +ATOM 1428 OG SER A 89 7.246 12.538 3.473 1.00 1.64 O +ATOM 1429 OXT SER A 89 9.859 11.388 0.735 1.00 1.52 O +ATOM 1430 H SER A 89 6.222 9.680 1.152 1.00 0.66 H +ATOM 1431 HA SER A 89 7.582 12.340 1.118 1.00 0.74 H +ATOM 1432 HB2 SER A 89 6.729 10.570 3.251 1.00 1.30 H +ATOM 1433 HB3 SER A 89 8.461 10.879 3.356 1.00 1.41 H +ATOM 1434 HG SER A 89 6.663 12.440 4.229 1.00 2.01 H +TER 1435 SER A 89 +MASTER 97 1 0 4 3 0 0 6 1434 1 0 7 +END diff --git a/data/1bta_H_reduce.pdb b/data/1bta_H_reduce.pdb new file mode 100644 index 0000000..7d9d7d8 --- /dev/null +++ b/data/1bta_H_reduce.pdb @@ -0,0 +1,1391 @@ +USER MOD reduce.3.23.130521 H: found=0, std=0, add=630, rem=0, adj=9 +TITLE 2 BARSTAR USING NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: BARSTAR; +COMPND 4 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS AMYLOLIQUEFACIENS; +SOURCE 3 ORGANISM_TAXID: 1390 +EXPDTA SOLUTION NMR +REVDAT 2 24-FEB-09 1BTA 1 VERSN +REVDAT 1 31-JUL-94 1BTA 0 +JRNL TITL 2 ASSIGNMENTS OF BARSTAR USING NUCLEAR MAGNETIC +JRNL TITL 3 RESONANCE SPECTROSCOPY. +JRNL REFN ISSN 0006-2960 +JRNL PMID 8043574 +JRNL DOI 10.1021/BI00196A003 +REMARK 1 +REMARK 1 REFERENCE 1 +REMARK 1 TITL BARNASE AND BARSTAR: TWO SMALL PROTEINS TO FOLD +REMARK 1 REFN ISSN 0968-0004 +REMARK 2 +REMARK 2 RESOLUTION. NOT APPLICABLE. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : X-PLOR +REMARK 3 +REMARK 4 +REMARK 100 +REMARK 210 +REMARK 210 EXPERIMENTAL DETAILS +REMARK 210 EXPERIMENT TYPE : NMR +REMARK 210 TEMPERATURE (KELVIN) : NULL +REMARK 210 PRESSURE : NULL +REMARK 210 SAMPLE CONTENTS : NULL +REMARK 210 +REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL +REMARK 210 SPECTROMETER MODEL : NULL +REMARK 210 SPECTROMETER MANUFACTURER : NULL +REMARK 210 +REMARK 210 STRUCTURE DETERMINATION. +REMARK 210 SOFTWARE USED : NULL +REMARK 210 +REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL +REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 +REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL +REMARK 210 +REMARK 210 +REMARK 210 REMARK: NULL +REMARK 215 +REMARK 215 NMR STUDY +REMARK 500 +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 +REMARK 500 PRO A 27 -179.66 -57.36 +REMARK 500 TYR A 30 105.85 -38.41 +REMARK 500 GLU A 32 3.60 50.07 +REMARK 500 TRP A 44 -66.63 177.13 +REMARK 500 LEU A 62 -32.03 -33.51 +REMARK 500 GLU A 64 106.99 -12.37 +REMARK 500 ASN A 65 32.13 73.69 +REMARK 500 ASP A 83 65.33 -109.29 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 SUBTOPIC: PLANAR GROUPS +REMARK 500 +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 M RES CSSEQI RMS TYPE +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: 1BTB RELATED DB: PDB +DBREF 1BTA A 1 89 UNP P11540 BARS_BACAM 1 89 +SEQRES 1 A 89 LYS LYS ALA VAL ILE ASN GLY GLU GLN ILE ARG SER ILE +SEQRES 3 A 89 PRO GLU TYR TYR GLY GLU ASN LEU ASP ALA LEU TRP ASP +CISPEP 1 TYR A 47 PRO A 48 0 0.92 +CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 1.000000 0.000000 0.000000 0.00000 +SCALE2 0.000000 1.000000 0.000000 0.00000 +SCALE3 0.000000 0.000000 1.000000 0.00000 +USER MOD ----------------------------------------------------------------- +USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q +USER MOD "o" means original, "f" means flipped, "180deg" is methyl default +USER MOD "!" flags a clash with an overlap of 0.40A or greater +USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip +USER MOD Single : A 1 LYS N :NH3+ -130:sc= -0.15 (180deg=-1.22) +USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) +USER MOD Single : A 2 LYS NZ :NH3+ 175:sc= 0.333 (180deg=0.325) +USER MOD Single : A 12 SER OG : rot 180:sc= -0.79 +USER MOD Single : A 14 SER OG : rot 180:sc= 0 +USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) +USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) +USER MOD Single : A 40 CYS SG : rot 42:sc= 0.492 +USER MOD Single : A 59 SER OG : rot 8:sc= -2.55! +USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) +USER MOD Single : A 69 SER OG : rot 150:sc= -5.24! +USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) +USER MOD Single : A 82 CYS SG : rot -119:sc= -0.999 +USER MOD Single : A 89 SER OG : rot 180:sc= 0 +USER MOD ----------------------------------------------------------------- +ATOM 1 N LYS A 1 -8.655 5.770 8.371 1.00 1.40 N +ATOM 2 CA LYS A 1 -7.542 5.187 9.163 1.00 0.52 C +ATOM 3 C LYS A 1 -6.210 5.619 8.561 1.00 0.39 C +ATOM 4 O LYS A 1 -6.156 6.468 7.693 1.00 0.33 O +ATOM 5 CB LYS A 1 -7.641 3.666 9.159 1.00 1.53 C +ATOM 6 CG LYS A 1 -7.750 3.179 10.602 1.00 2.38 C +ATOM 7 CD LYS A 1 -9.158 3.466 11.126 1.00 3.11 C +ATOM 8 CE LYS A 1 -9.145 4.744 11.965 1.00 3.58 C +ATOM 9 NZ LYS A 1 -9.497 4.416 13.375 1.00 4.21 N +ATOM 0 H1 LYS A 1 -9.232 6.169 8.919 1.00 1.40 H new +ATOM 0 H2 LYS A 1 -8.330 6.367 7.797 1.00 1.40 H new +ATOM 0 H3 LYS A 1 -9.071 5.124 7.923 1.00 1.40 H new +ATOM 0 HA LYS A 1 -7.601 5.503 10.078 1.00 0.52 H new +ATOM 0 HB2 LYS A 1 -8.415 3.381 8.648 1.00 1.53 H new +ATOM 0 HB3 LYS A 1 -6.861 3.279 8.732 1.00 1.53 H new +ATOM 0 HG2 LYS A 1 -7.564 2.228 10.649 1.00 2.38 H new +ATOM 0 HG3 LYS A 1 -7.090 3.625 11.156 1.00 2.38 H new +ATOM 0 HD2 LYS A 1 -9.775 3.562 10.384 1.00 3.11 H new +ATOM 0 HD3 LYS A 1 -9.472 2.720 11.661 1.00 3.11 H new +ATOM 0 HE2 LYS A 1 -8.268 5.158 11.928 1.00 3.58 H new +ATOM 0 HE3 LYS A 1 -9.777 5.386 11.605 1.00 3.58 H new +ATOM 0 HZ1 LYS A 1 -9.490 5.160 13.864 1.00 4.21 H new +ATOM 0 HZ2 LYS A 1 -10.309 4.052 13.402 1.00 4.21 H new +ATOM 0 HZ3 LYS A 1 -8.903 3.840 13.703 1.00 4.21 H new +ATOM 25 N LYS A 2 -5.128 5.066 9.028 1.00 0.51 N +ATOM 26 CA LYS A 2 -3.813 5.485 8.490 1.00 0.44 C +ATOM 27 C LYS A 2 -2.931 4.277 8.172 1.00 0.41 C +ATOM 28 O LYS A 2 -3.040 3.218 8.757 1.00 0.58 O +ATOM 29 CB LYS A 2 -3.138 6.383 9.534 1.00 0.63 C +ATOM 30 CG LYS A 2 -1.624 6.134 9.604 1.00 1.04 C +ATOM 31 CD LYS A 2 -0.967 7.224 10.453 1.00 0.93 C +ATOM 32 CE LYS A 2 0.116 7.929 9.634 1.00 0.63 C +ATOM 33 NZ LYS A 2 1.057 8.630 10.551 1.00 1.43 N +ATOM 0 H LYS A 2 -5.104 4.461 9.639 1.00 0.51 H new +ATOM 0 HA LYS A 2 -3.941 5.969 7.659 1.00 0.44 H new +ATOM 0 HB2 LYS A 2 -3.303 7.314 9.316 1.00 0.63 H new +ATOM 0 HB3 LYS A 2 -3.533 6.221 10.405 1.00 0.63 H new +ATOM 0 HG2 LYS A 2 -1.447 5.261 9.988 1.00 1.04 H new +ATOM 0 HG3 LYS A 2 -1.245 6.133 8.711 1.00 1.04 H new +ATOM 0 HD2 LYS A 2 -1.634 7.865 10.745 1.00 0.93 H new +ATOM 0 HD3 LYS A 2 -0.579 6.835 11.252 1.00 0.93 H new +ATOM 0 HE2 LYS A 2 0.597 7.283 9.093 1.00 0.63 H new +ATOM 0 HE3 LYS A 2 -0.289 8.565 9.024 1.00 0.63 H new +ATOM 0 HZ1 LYS A 2 1.727 8.979 10.080 1.00 1.43 H new +ATOM 0 HZ2 LYS A 2 0.626 9.280 10.979 1.00 1.43 H new +ATOM 0 HZ3 LYS A 2 1.382 8.050 11.143 1.00 1.43 H new +ATOM 47 N ALA A 3 -2.040 4.474 7.250 1.00 0.27 N +ATOM 48 CA ALA A 3 -1.086 3.403 6.848 1.00 0.30 C +ATOM 49 C ALA A 3 0.316 4.013 6.751 1.00 0.30 C +ATOM 50 O ALA A 3 0.469 5.207 6.586 1.00 0.54 O +ATOM 51 CB ALA A 3 -1.491 2.834 5.486 1.00 0.34 C +ATOM 0 H ALA A 3 -1.945 5.215 6.823 1.00 0.27 H new +ATOM 0 HA ALA A 3 -1.096 2.688 7.503 1.00 0.30 H new +ATOM 0 HB1 ALA A 3 -0.868 2.137 5.228 1.00 0.34 H new +ATOM 0 HB2 ALA A 3 -2.385 2.462 5.543 1.00 0.34 H new +ATOM 0 HB3 ALA A 3 -1.477 3.541 4.823 1.00 0.34 H new +ATOM 57 N VAL A 4 1.342 3.214 6.860 1.00 0.30 N +ATOM 58 CA VAL A 4 2.725 3.769 6.780 1.00 0.27 C +ATOM 59 C VAL A 4 3.643 2.773 6.074 1.00 0.26 C +ATOM 60 O VAL A 4 3.842 1.667 6.535 1.00 0.33 O +ATOM 61 CB VAL A 4 3.250 4.021 8.194 1.00 0.30 C +ATOM 62 CG1 VAL A 4 4.617 4.709 8.122 1.00 0.35 C +ATOM 63 CG2 VAL A 4 2.262 4.915 8.946 1.00 0.35 C +ATOM 0 H VAL A 4 1.293 2.364 6.978 1.00 0.30 H new +ATOM 0 HA VAL A 4 2.708 4.600 6.281 1.00 0.27 H new +ATOM 0 HB VAL A 4 3.344 3.176 8.661 1.00 0.30 H new +ATOM 0 HG11 VAL A 4 4.947 4.868 9.020 1.00 0.35 H new +ATOM 0 HG12 VAL A 4 5.241 4.140 7.644 1.00 0.35 H new +ATOM 0 HG13 VAL A 4 4.529 5.555 7.656 1.00 0.35 H new +ATOM 0 HG21 VAL A 4 2.591 5.078 9.844 1.00 0.35 H new +ATOM 0 HG22 VAL A 4 2.169 5.760 8.478 1.00 0.35 H new +ATOM 0 HG23 VAL A 4 1.399 4.475 8.993 1.00 0.35 H new +ATOM 73 N ILE A 5 4.210 3.153 4.961 1.00 0.23 N +ATOM 74 CA ILE A 5 5.117 2.213 4.245 1.00 0.23 C +ATOM 75 C ILE A 5 6.570 2.567 4.552 1.00 0.25 C +ATOM 76 O ILE A 5 7.176 3.388 3.893 1.00 0.27 O +ATOM 77 CB ILE A 5 4.879 2.300 2.742 1.00 0.23 C +ATOM 78 CG1 ILE A 5 3.360 2.231 2.478 1.00 0.23 C +ATOM 79 CG2 ILE A 5 5.620 1.142 2.061 1.00 0.24 C +ATOM 80 CD1 ILE A 5 3.034 1.246 1.346 1.00 0.22 C +ATOM 0 H ILE A 5 4.105 3.922 4.590 1.00 0.23 H new +ATOM 0 HA ILE A 5 4.933 1.309 4.544 1.00 0.23 H new +ATOM 0 HB ILE A 5 5.215 3.135 2.380 1.00 0.23 H new +ATOM 0 HG12 ILE A 5 2.901 1.959 3.288 1.00 0.23 H new +ATOM 0 HG13 ILE A 5 3.029 3.113 2.247 1.00 0.23 H new +ATOM 0 HG21 ILE A 5 5.477 1.185 1.103 1.00 0.24 H new +ATOM 0 HG22 ILE A 5 6.569 1.210 2.249 1.00 0.24 H new +ATOM 0 HG23 ILE A 5 5.283 0.298 2.400 1.00 0.24 H new +ATOM 0 HD11 ILE A 5 2.075 1.223 1.203 1.00 0.22 H new +ATOM 0 HD12 ILE A 5 3.476 1.532 0.531 1.00 0.22 H new +ATOM 0 HD13 ILE A 5 3.345 0.360 1.588 1.00 0.22 H new +ATOM 92 N ASN A 6 7.134 1.947 5.547 1.00 0.27 N +ATOM 93 CA ASN A 6 8.545 2.232 5.905 1.00 0.31 C +ATOM 94 C ASN A 6 9.466 1.399 5.009 1.00 0.31 C +ATOM 95 O ASN A 6 9.611 0.207 5.189 1.00 0.35 O +ATOM 96 CB ASN A 6 8.759 1.859 7.370 1.00 0.37 C +ATOM 97 CG ASN A 6 8.067 2.890 8.264 1.00 0.65 C +ATOM 98 OD1 ASN A 6 7.534 3.869 7.782 1.00 1.48 O +ATOM 99 ND2 ASN A 6 8.054 2.711 9.557 1.00 1.13 N +ATOM 0 H ASN A 6 6.745 1.359 6.040 1.00 0.27 H new +ATOM 0 HA ASN A 6 8.746 3.172 5.777 1.00 0.31 H new +ATOM 0 HB2 ASN A 6 8.402 0.974 7.544 1.00 0.37 H new +ATOM 0 HB3 ASN A 6 9.707 1.827 7.571 1.00 0.37 H new +ATOM 0 HD21 ASN A 6 7.668 3.286 10.067 1.00 1.13 H new +ATOM 0 HD22 ASN A 6 8.431 2.018 9.899 1.00 1.13 H new +ATOM 106 N GLY A 7 10.078 2.017 4.035 1.00 0.33 N +ATOM 107 CA GLY A 7 10.976 1.261 3.114 1.00 0.36 C +ATOM 108 C GLY A 7 12.182 0.718 3.879 1.00 0.35 C +ATOM 109 O GLY A 7 12.583 -0.414 3.694 1.00 0.46 O +ATOM 0 H GLY A 7 10.008 2.858 3.868 1.00 0.33 H new +ATOM 0 HA2 GLY A 7 10.488 0.529 2.705 1.00 0.36 H new +ATOM 0 HA3 GLY A 7 11.275 1.840 2.395 1.00 0.36 H new +ATOM 113 N GLU A 8 12.767 1.509 4.735 1.00 0.38 N +ATOM 114 CA GLU A 8 13.946 1.022 5.505 1.00 0.43 C +ATOM 115 C GLU A 8 13.659 -0.390 6.019 1.00 0.39 C +ATOM 116 O GLU A 8 14.559 -1.170 6.260 1.00 0.45 O +ATOM 117 CB GLU A 8 14.207 1.950 6.696 1.00 0.53 C +ATOM 118 CG GLU A 8 14.064 3.409 6.256 1.00 1.39 C +ATOM 119 CD GLU A 8 14.660 4.324 7.328 1.00 1.74 C +ATOM 120 OE1 GLU A 8 14.225 4.232 8.464 1.00 2.30 O +ATOM 121 OE2 GLU A 8 15.540 5.100 6.994 1.00 2.19 O +ATOM 0 H GLU A 8 12.526 2.317 4.903 1.00 0.38 H new +ATOM 0 HA GLU A 8 14.727 1.013 4.929 1.00 0.43 H new +ATOM 0 HB2 GLU A 8 13.581 1.756 7.411 1.00 0.53 H new +ATOM 0 HB3 GLU A 8 15.097 1.795 7.048 1.00 0.53 H new +ATOM 0 HG2 GLU A 8 14.517 3.548 5.410 1.00 1.39 H new +ATOM 0 HG3 GLU A 8 13.129 3.625 6.116 1.00 1.39 H new +ATOM 128 N GLN A 9 12.408 -0.720 6.195 1.00 0.35 N +ATOM 129 CA GLN A 9 12.051 -2.069 6.699 1.00 0.38 C +ATOM 130 C GLN A 9 11.745 -3.001 5.523 1.00 0.35 C +ATOM 131 O GLN A 9 12.213 -4.121 5.468 1.00 0.40 O +ATOM 132 CB GLN A 9 10.811 -1.937 7.578 1.00 0.43 C +ATOM 133 CG GLN A 9 11.027 -0.819 8.600 1.00 0.50 C +ATOM 134 CD GLN A 9 11.790 -1.365 9.805 1.00 1.06 C +ATOM 135 OE1 GLN A 9 12.979 -1.155 9.931 1.00 1.97 O +ATOM 136 NE2 GLN A 9 11.151 -2.059 10.705 1.00 1.49 N +ATOM 0 H GLN A 9 11.740 -0.202 6.038 1.00 0.35 H new +ATOM 0 HA GLN A 9 12.789 -2.439 7.207 1.00 0.38 H new +ATOM 0 HB2 GLN A 9 10.034 -1.743 7.031 1.00 0.43 H new +ATOM 0 HB3 GLN A 9 10.635 -2.775 8.033 1.00 0.43 H new +ATOM 0 HG2 GLN A 9 11.523 -0.090 8.195 1.00 0.50 H new +ATOM 0 HG3 GLN A 9 10.172 -0.458 8.883 1.00 0.50 H new +ATOM 0 HE21 GLN A 9 10.309 -2.208 10.615 1.00 1.49 H new +ATOM 0 HE22 GLN A 9 11.572 -2.368 11.388 1.00 1.49 H new +ATOM 145 N ILE A 10 10.952 -2.550 4.591 1.00 0.32 N +ATOM 146 CA ILE A 10 10.597 -3.408 3.424 1.00 0.34 C +ATOM 147 C ILE A 10 11.825 -4.171 2.934 1.00 0.31 C +ATOM 148 O ILE A 10 12.893 -3.617 2.765 1.00 0.35 O +ATOM 149 CB ILE A 10 10.059 -2.546 2.281 1.00 0.37 C +ATOM 150 CG1 ILE A 10 8.683 -2.005 2.655 1.00 0.51 C +ATOM 151 CG2 ILE A 10 9.933 -3.402 1.018 1.00 0.35 C +ATOM 152 CD1 ILE A 10 7.689 -3.158 2.715 1.00 0.78 C +ATOM 0 H ILE A 10 10.598 -1.766 4.587 1.00 0.32 H new +ATOM 0 HA ILE A 10 9.916 -4.038 3.706 1.00 0.34 H new +ATOM 0 HB ILE A 10 10.667 -1.808 2.120 1.00 0.37 H new +ATOM 0 HG12 ILE A 10 8.723 -1.554 3.513 1.00 0.51 H new +ATOM 0 HG13 ILE A 10 8.394 -1.348 2.002 1.00 0.51 H new +ATOM 0 HG21 ILE A 10 9.592 -2.858 0.291 1.00 0.35 H new +ATOM 0 HG22 ILE A 10 10.804 -3.754 0.777 1.00 0.35 H new +ATOM 0 HG23 ILE A 10 9.323 -4.137 1.185 1.00 0.35 H new +ATOM 0 HD11 ILE A 10 6.812 -2.818 2.953 1.00 0.78 H new +ATOM 0 HD12 ILE A 10 7.643 -3.591 1.848 1.00 0.78 H new +ATOM 0 HD13 ILE A 10 7.978 -3.800 3.382 1.00 0.78 H new +ATOM 164 N ARG A 11 11.668 -5.440 2.692 1.00 0.33 N +ATOM 165 CA ARG A 11 12.794 -6.261 2.200 1.00 0.37 C +ATOM 166 C ARG A 11 12.423 -6.834 0.830 1.00 0.39 C +ATOM 167 O ARG A 11 13.251 -7.368 0.120 1.00 0.48 O +ATOM 168 CB ARG A 11 13.035 -7.400 3.184 1.00 0.50 C +ATOM 169 CG ARG A 11 13.677 -6.844 4.458 1.00 0.57 C +ATOM 170 CD ARG A 11 15.105 -7.376 4.589 1.00 1.27 C +ATOM 171 NE ARG A 11 15.489 -7.404 6.030 1.00 1.87 N +ATOM 172 CZ ARG A 11 16.544 -8.065 6.417 1.00 2.53 C +ATOM 0 H ARG A 11 10.929 -5.867 2.798 1.00 0.33 H new +ATOM 0 HA ARG A 11 13.598 -5.724 2.121 1.00 0.37 H new +ATOM 0 HB2 ARG A 11 12.197 -7.839 3.397 1.00 0.50 H new +ATOM 0 HB3 ARG A 11 13.612 -8.069 2.784 1.00 0.50 H new +ATOM 0 HG2 ARG A 11 13.685 -5.874 4.430 1.00 0.57 H new +ATOM 0 HG3 ARG A 11 13.154 -7.101 5.233 1.00 0.57 H new +ATOM 0 HD2 ARG A 11 15.166 -8.267 4.210 1.00 1.27 H new +ATOM 0 HD3 ARG A 11 15.718 -6.813 4.091 1.00 1.27 H new +ATOM 0 HE ARG A 11 15.012 -6.982 6.608 1.00 1.87 H new +ATOM 188 N SER A 12 11.174 -6.725 0.458 1.00 0.37 N +ATOM 189 CA SER A 12 10.732 -7.258 -0.860 1.00 0.45 C +ATOM 190 C SER A 12 9.270 -6.869 -1.096 1.00 0.42 C +ATOM 191 O SER A 12 8.619 -6.289 -0.242 1.00 0.37 O +ATOM 192 CB SER A 12 10.862 -8.781 -0.865 1.00 0.56 C +ATOM 193 OG SER A 12 11.282 -9.221 0.419 1.00 1.44 O +ATOM 0 H SER A 12 10.555 -6.356 0.927 1.00 0.37 H new +ATOM 0 HA SER A 12 11.286 -6.886 -1.564 1.00 0.45 H new +ATOM 0 HB2 SER A 12 10.012 -9.188 -1.096 1.00 0.56 H new +ATOM 0 HB3 SER A 12 11.502 -9.059 -1.539 1.00 0.56 H new +ATOM 0 HG SER A 12 11.353 -10.058 0.419 1.00 1.44 H new +ATOM 199 N ILE A 13 8.741 -7.185 -2.245 1.00 0.47 N +ATOM 200 CA ILE A 13 7.324 -6.831 -2.520 1.00 0.46 C +ATOM 201 C ILE A 13 6.445 -7.446 -1.435 1.00 0.41 C +ATOM 202 O ILE A 13 5.579 -6.799 -0.887 1.00 0.36 O +ATOM 203 CB ILE A 13 6.908 -7.370 -3.892 1.00 0.56 C +ATOM 204 CG1 ILE A 13 5.570 -6.749 -4.313 1.00 0.63 C +ATOM 205 CG2 ILE A 13 6.753 -8.888 -3.812 1.00 0.64 C +ATOM 206 CD1 ILE A 13 5.564 -5.246 -4.010 1.00 0.57 C +ATOM 0 H ILE A 13 9.150 -7.594 -2.882 1.00 0.47 H new +ATOM 0 HA ILE A 13 7.221 -5.866 -2.520 1.00 0.46 H new +ATOM 0 HB ILE A 13 7.588 -7.141 -4.545 1.00 0.56 H new +ATOM 0 HG12 ILE A 13 5.422 -6.895 -5.260 1.00 0.63 H new +ATOM 0 HG13 ILE A 13 4.842 -7.183 -3.842 1.00 0.63 H new +ATOM 0 HG21 ILE A 13 6.489 -9.233 -4.680 1.00 0.64 H new +ATOM 0 HG22 ILE A 13 7.598 -9.286 -3.549 1.00 0.64 H new +ATOM 0 HG23 ILE A 13 6.073 -9.110 -3.156 1.00 0.64 H new +ATOM 0 HD11 ILE A 13 4.714 -4.865 -4.280 1.00 0.57 H new +ATOM 0 HD12 ILE A 13 5.693 -5.107 -3.059 1.00 0.57 H new +ATOM 0 HD13 ILE A 13 6.282 -4.814 -4.499 1.00 0.57 H new +ATOM 218 N SER A 14 6.669 -8.690 -1.109 1.00 0.46 N +ATOM 219 CA SER A 14 5.851 -9.332 -0.047 1.00 0.44 C +ATOM 220 C SER A 14 5.859 -8.424 1.179 1.00 0.37 C +ATOM 221 O SER A 14 4.837 -8.162 1.781 1.00 0.35 O +ATOM 222 CB SER A 14 6.453 -10.689 0.312 1.00 0.50 C +ATOM 223 OG SER A 14 5.481 -11.469 0.996 1.00 1.07 O +ATOM 0 H SER A 14 7.269 -9.192 -1.465 1.00 0.46 H new +ATOM 0 HA SER A 14 4.942 -9.465 -0.357 1.00 0.44 H new +ATOM 0 HB2 SER A 14 6.744 -11.148 -0.491 1.00 0.50 H new +ATOM 0 HB3 SER A 14 7.237 -10.569 0.870 1.00 0.50 H new +ATOM 0 HG SER A 14 5.810 -12.217 1.193 1.00 1.07 H new +ATOM 229 N ASP A 15 7.009 -7.928 1.541 1.00 0.34 N +ATOM 230 CA ASP A 15 7.097 -7.021 2.709 1.00 0.30 C +ATOM 231 C ASP A 15 6.187 -5.819 2.475 1.00 0.24 C +ATOM 232 O ASP A 15 5.470 -5.386 3.353 1.00 0.23 O +ATOM 233 CB ASP A 15 8.536 -6.538 2.871 1.00 0.30 C +ATOM 234 CG ASP A 15 9.056 -6.939 4.254 1.00 0.33 C +ATOM 235 OD1 ASP A 15 8.483 -7.843 4.840 1.00 1.17 O +ATOM 236 OD2 ASP A 15 10.015 -6.335 4.705 1.00 1.08 O +ATOM 0 H ASP A 15 7.756 -8.086 1.146 1.00 0.34 H new +ATOM 0 HA ASP A 15 6.822 -7.493 3.511 1.00 0.30 H new +ATOM 0 HB2 ASP A 15 9.097 -6.924 2.180 1.00 0.30 H new +ATOM 0 HB3 ASP A 15 8.578 -5.575 2.766 1.00 0.30 H new +ATOM 241 N LEU A 16 6.211 -5.283 1.288 1.00 0.25 N +ATOM 242 CA LEU A 16 5.347 -4.111 0.980 1.00 0.23 C +ATOM 243 C LEU A 16 3.898 -4.464 1.298 1.00 0.22 C +ATOM 244 O LEU A 16 3.233 -3.804 2.073 1.00 0.21 O +ATOM 245 CB LEU A 16 5.470 -3.779 -0.505 1.00 0.28 C +ATOM 246 CG LEU A 16 4.802 -2.436 -0.784 1.00 0.31 C +ATOM 247 CD1 LEU A 16 5.341 -1.386 0.188 1.00 0.31 C +ATOM 248 CD2 LEU A 16 5.110 -2.013 -2.219 1.00 0.39 C +ATOM 0 H LEU A 16 6.702 -5.556 0.637 1.00 0.25 H new +ATOM 0 HA LEU A 16 5.622 -3.347 1.511 1.00 0.23 H new +ATOM 0 HB2 LEU A 16 6.405 -3.746 -0.762 1.00 0.28 H new +ATOM 0 HB3 LEU A 16 5.054 -4.475 -1.037 1.00 0.28 H new +ATOM 0 HG LEU A 16 3.842 -2.517 -0.667 1.00 0.31 H new +ATOM 0 HD11 LEU A 16 4.916 -0.532 0.011 1.00 0.31 H new +ATOM 0 HD12 LEU A 16 5.149 -1.659 1.099 1.00 0.31 H new +ATOM 0 HD13 LEU A 16 6.300 -1.300 0.072 1.00 0.31 H new +ATOM 0 HD21 LEU A 16 4.688 -1.159 -2.403 1.00 0.39 H new +ATOM 0 HD22 LEU A 16 6.070 -1.930 -2.333 1.00 0.39 H new +ATOM 0 HD23 LEU A 16 4.768 -2.681 -2.834 1.00 0.39 H new +ATOM 277 N GLN A 18 2.969 -6.639 3.055 1.00 0.19 N +ATOM 278 CA GLN A 18 2.905 -7.047 4.475 1.00 0.19 C +ATOM 279 C GLN A 18 2.501 -5.844 5.322 1.00 0.17 C +ATOM 280 O GLN A 18 1.541 -5.888 6.067 1.00 0.18 O +ATOM 281 CB GLN A 18 4.275 -7.553 4.927 1.00 0.21 C +ATOM 282 CG GLN A 18 4.092 -8.654 5.975 1.00 0.55 C +ATOM 283 CD GLN A 18 5.461 -9.139 6.452 1.00 1.31 C +ATOM 284 OE1 GLN A 18 6.390 -8.363 6.557 1.00 2.11 O +ATOM 285 NE2 GLN A 18 5.626 -10.399 6.749 1.00 2.02 N +ATOM 0 HA GLN A 18 2.252 -7.757 4.581 1.00 0.19 H new +ATOM 0 HB2 GLN A 18 4.771 -7.896 4.167 1.00 0.21 H new +ATOM 0 HB3 GLN A 18 4.794 -6.823 5.298 1.00 0.21 H new +ATOM 0 HG2 GLN A 18 3.578 -8.317 6.726 1.00 0.55 H new +ATOM 0 HG3 GLN A 18 3.590 -9.393 5.597 1.00 0.55 H new +ATOM 0 HE21 GLN A 18 4.968 -10.948 6.675 1.00 2.02 H new +ATOM 0 HE22 GLN A 18 6.392 -10.680 7.019 1.00 2.02 H new +ATOM 308 N LEU A 20 1.286 -3.056 4.258 1.00 0.16 N +ATOM 309 CA LEU A 20 -0.022 -2.590 3.751 1.00 0.18 C +ATOM 310 C LEU A 20 -1.104 -3.472 4.365 1.00 0.17 C +ATOM 311 O LEU A 20 -2.183 -3.040 4.683 1.00 0.24 O +ATOM 312 CB LEU A 20 -0.050 -2.738 2.232 1.00 0.19 C +ATOM 313 CG LEU A 20 0.878 -1.705 1.588 1.00 0.20 C +ATOM 314 CD1 LEU A 20 0.822 -1.851 0.068 1.00 0.23 C +ATOM 315 CD2 LEU A 20 0.434 -0.292 1.981 1.00 0.21 C +ATOM 0 HA LEU A 20 -0.169 -1.660 3.985 1.00 0.18 H new +ATOM 0 HB2 LEU A 20 0.227 -3.633 1.982 1.00 0.19 H new +ATOM 0 HB3 LEU A 20 -0.955 -2.619 1.905 1.00 0.19 H new +ATOM 0 HG LEU A 20 1.786 -1.853 1.897 1.00 0.20 H new +ATOM 0 HD11 LEU A 20 1.410 -1.197 -0.342 1.00 0.23 H new +ATOM 0 HD12 LEU A 20 1.108 -2.744 -0.182 1.00 0.23 H new +ATOM 0 HD13 LEU A 20 -0.087 -1.705 -0.238 1.00 0.23 H new +ATOM 0 HD21 LEU A 20 1.025 0.359 1.571 1.00 0.21 H new +ATOM 0 HD22 LEU A 20 -0.474 -0.141 1.676 1.00 0.21 H new +ATOM 0 HD23 LEU A 20 0.470 -0.198 2.946 1.00 0.21 H new +ATOM 327 N LYS A 21 -0.794 -4.716 4.530 1.00 0.16 N +ATOM 328 CA LYS A 21 -1.760 -5.680 5.122 1.00 0.16 C +ATOM 329 C LYS A 21 -2.011 -5.324 6.586 1.00 0.17 C +ATOM 330 O LYS A 21 -3.123 -5.365 7.059 1.00 0.19 O +ATOM 331 CB LYS A 21 -1.173 -7.088 5.035 1.00 0.17 C +ATOM 332 CG LYS A 21 -2.174 -8.100 5.593 1.00 0.29 C +ATOM 333 CD LYS A 21 -1.414 -9.229 6.292 1.00 0.68 C +ATOM 334 CE LYS A 21 -2.407 -10.255 6.837 1.00 1.26 C +ATOM 335 NZ LYS A 21 -1.733 -11.101 7.860 1.00 1.94 N +ATOM 0 H LYS A 21 -0.034 -5.057 4.315 1.00 0.16 H new +ATOM 0 HA LYS A 21 -2.599 -5.641 4.636 1.00 0.16 H new +ATOM 0 HB2 LYS A 21 -0.962 -7.303 4.113 1.00 0.17 H new +ATOM 0 HB3 LYS A 21 -0.342 -7.133 5.534 1.00 0.17 H new +ATOM 0 HG2 LYS A 21 -2.775 -7.665 6.218 1.00 0.29 H new +ATOM 0 HG3 LYS A 21 -2.721 -8.459 4.877 1.00 0.29 H new +ATOM 0 HD2 LYS A 21 -0.804 -9.655 5.669 1.00 0.68 H new +ATOM 0 HD3 LYS A 21 -0.876 -8.870 7.015 1.00 0.68 H new +ATOM 0 HE2 LYS A 21 -3.171 -9.804 7.229 1.00 1.26 H new +ATOM 0 HE3 LYS A 21 -2.744 -10.809 6.115 1.00 1.26 H new +ATOM 0 HZ1 LYS A 21 -2.310 -11.699 8.178 1.00 1.94 H new +ATOM 0 HZ2 LYS A 21 -1.043 -11.523 7.489 1.00 1.94 H new +ATOM 0 HZ3 LYS A 21 -1.442 -10.587 8.526 1.00 1.94 H new +ATOM 349 N LYS A 22 -0.991 -4.980 7.317 1.00 0.18 N +ATOM 350 CA LYS A 22 -1.204 -4.631 8.741 1.00 0.20 C +ATOM 351 C LYS A 22 -2.006 -3.335 8.817 1.00 0.23 C +ATOM 352 O LYS A 22 -3.074 -3.277 9.390 1.00 0.29 O +ATOM 353 CB LYS A 22 0.142 -4.442 9.432 1.00 0.22 C +ATOM 354 CG LYS A 22 0.148 -5.278 10.717 1.00 0.83 C +ATOM 355 CD LYS A 22 1.553 -5.339 11.302 1.00 1.43 C +ATOM 356 CE LYS A 22 1.494 -6.033 12.671 1.00 2.18 C +ATOM 357 NZ LYS A 22 2.827 -6.602 13.001 1.00 2.84 N +ATOM 0 H LYS A 22 -0.177 -4.935 7.042 1.00 0.18 H new +ATOM 0 HA LYS A 22 -1.689 -5.345 9.184 1.00 0.20 H new +ATOM 0 HB2 LYS A 22 0.864 -4.719 8.846 1.00 0.22 H new +ATOM 0 HB3 LYS A 22 0.287 -3.505 9.638 1.00 0.22 H new +ATOM 0 HG2 LYS A 22 -0.462 -4.891 11.365 1.00 0.83 H new +ATOM 0 HG3 LYS A 22 -0.170 -6.175 10.528 1.00 0.83 H new +ATOM 0 HD2 LYS A 22 2.144 -5.825 10.705 1.00 1.43 H new +ATOM 0 HD3 LYS A 22 1.916 -4.445 11.395 1.00 1.43 H new +ATOM 0 HE2 LYS A 22 1.225 -5.399 13.354 1.00 2.18 H new +ATOM 0 HE3 LYS A 22 0.826 -6.736 12.659 1.00 2.18 H new +ATOM 0 HZ1 LYS A 22 2.790 -7.004 13.794 1.00 2.84 H new +ATOM 0 HZ2 LYS A 22 3.059 -7.195 12.379 1.00 2.84 H new +ATOM 0 HZ3 LYS A 22 3.431 -5.949 13.027 1.00 2.84 H new +ATOM 371 N GLU A 23 -1.495 -2.303 8.219 1.00 0.22 N +ATOM 372 CA GLU A 23 -2.195 -1.004 8.212 1.00 0.26 C +ATOM 373 C GLU A 23 -3.621 -1.224 7.716 1.00 0.24 C +ATOM 374 O GLU A 23 -4.587 -1.066 8.436 1.00 0.27 O +ATOM 375 CB GLU A 23 -1.450 -0.080 7.250 1.00 0.29 C +ATOM 376 CG GLU A 23 -0.006 0.098 7.725 1.00 0.35 C +ATOM 377 CD GLU A 23 0.032 1.057 8.914 1.00 1.53 C +ATOM 378 OE1 GLU A 23 -1.026 1.364 9.438 1.00 2.29 O +ATOM 379 OE2 GLU A 23 1.120 1.471 9.280 1.00 2.27 O +ATOM 0 H GLU A 23 -0.742 -2.308 7.803 1.00 0.22 H new +ATOM 0 HA GLU A 23 -2.221 -0.612 9.099 1.00 0.26 H new +ATOM 0 HB2 GLU A 23 -1.462 -0.453 6.354 1.00 0.29 H new +ATOM 0 HB3 GLU A 23 -1.894 0.781 7.205 1.00 0.29 H new +ATOM 0 HG2 GLU A 23 0.368 -0.760 7.979 1.00 0.35 H new +ATOM 0 HG3 GLU A 23 0.541 0.443 7.002 1.00 0.35 H new +ATOM 386 N LEU A 24 -3.737 -1.599 6.480 1.00 0.23 N +ATOM 387 CA LEU A 24 -5.066 -1.859 5.871 1.00 0.23 C +ATOM 388 C LEU A 24 -5.767 -2.996 6.618 1.00 0.22 C +ATOM 389 O LEU A 24 -6.953 -3.209 6.467 1.00 0.24 O +ATOM 390 CB LEU A 24 -4.848 -2.277 4.418 1.00 0.21 C +ATOM 391 CG LEU A 24 -4.150 -1.150 3.658 1.00 0.25 C +ATOM 392 CD1 LEU A 24 -3.120 -1.750 2.701 1.00 0.20 C +ATOM 393 CD2 LEU A 24 -5.184 -0.352 2.862 1.00 0.40 C +ATOM 0 H LEU A 24 -3.072 -1.718 5.948 1.00 0.23 H new +ATOM 0 HA LEU A 24 -5.616 -1.061 5.921 1.00 0.23 H new +ATOM 0 HB2 LEU A 24 -4.312 -3.084 4.381 1.00 0.21 H new +ATOM 0 HB3 LEU A 24 -5.699 -2.482 4.000 1.00 0.21 H new +ATOM 0 HG LEU A 24 -3.705 -0.561 4.287 1.00 0.25 H new +ATOM 0 HD11 LEU A 24 -2.675 -1.037 2.216 1.00 0.20 H new +ATOM 0 HD12 LEU A 24 -2.464 -2.256 3.206 1.00 0.20 H new +ATOM 0 HD13 LEU A 24 -3.566 -2.338 2.072 1.00 0.20 H new +ATOM 0 HD21 LEU A 24 -4.740 0.363 2.380 1.00 0.40 H new +ATOM 0 HD22 LEU A 24 -5.630 -0.938 2.231 1.00 0.40 H new +ATOM 0 HD23 LEU A 24 -5.839 0.026 3.470 1.00 0.40 H new +ATOM 405 N ALA A 25 -5.043 -3.736 7.416 1.00 0.21 N +ATOM 406 CA ALA A 25 -5.667 -4.860 8.158 1.00 0.22 C +ATOM 407 C ALA A 25 -6.369 -5.796 7.170 1.00 0.21 C +ATOM 408 O ALA A 25 -7.501 -6.191 7.366 1.00 0.23 O +ATOM 409 CB ALA A 25 -6.670 -4.292 9.152 1.00 0.26 C +ATOM 0 H ALA A 25 -4.202 -3.627 7.557 1.00 0.21 H new +ATOM 0 HA ALA A 25 -4.990 -5.364 8.636 1.00 0.22 H new +ATOM 0 HB1 ALA A 25 -7.085 -5.018 9.644 1.00 0.26 H new +ATOM 0 HB2 ALA A 25 -6.213 -3.702 9.772 1.00 0.26 H new +ATOM 0 HB3 ALA A 25 -7.352 -3.794 8.675 1.00 0.26 H new +ATOM 415 N LEU A 26 -5.693 -6.152 6.112 1.00 0.21 N +ATOM 416 CA LEU A 26 -6.293 -7.062 5.095 1.00 0.24 C +ATOM 417 C LEU A 26 -6.438 -8.468 5.690 1.00 0.28 C +ATOM 418 O LEU A 26 -5.795 -8.792 6.669 1.00 0.30 O +ATOM 419 CB LEU A 26 -5.371 -7.117 3.872 1.00 0.23 C +ATOM 420 CG LEU A 26 -4.954 -5.697 3.483 1.00 0.21 C +ATOM 421 CD1 LEU A 26 -3.954 -5.751 2.337 1.00 0.26 C +ATOM 422 CD2 LEU A 26 -6.187 -4.909 3.043 1.00 0.23 C +ATOM 0 H LEU A 26 -4.890 -5.896 5.939 1.00 0.21 H new +ATOM 0 HA LEU A 26 -7.167 -6.733 4.833 1.00 0.24 H new +ATOM 0 HB2 LEU A 26 -4.587 -7.652 4.070 1.00 0.23 H new +ATOM 0 HB3 LEU A 26 -5.827 -7.545 3.130 1.00 0.23 H new +ATOM 0 HG LEU A 26 -4.544 -5.262 4.247 1.00 0.21 H new +ATOM 0 HD11 LEU A 26 -3.692 -4.849 2.093 1.00 0.26 H new +ATOM 0 HD12 LEU A 26 -3.170 -6.251 2.614 1.00 0.26 H new +ATOM 0 HD13 LEU A 26 -4.361 -6.187 1.572 1.00 0.26 H new +ATOM 0 HD21 LEU A 26 -5.925 -4.008 2.796 1.00 0.23 H new +ATOM 0 HD22 LEU A 26 -6.596 -5.347 2.280 1.00 0.23 H new +ATOM 0 HD23 LEU A 26 -6.824 -4.871 3.773 1.00 0.23 H new +ATOM 434 N PRO A 27 -7.280 -9.262 5.077 1.00 0.34 N +ATOM 435 CA PRO A 27 -7.526 -10.643 5.529 1.00 0.41 C +ATOM 436 C PRO A 27 -6.221 -11.438 5.555 1.00 0.39 C +ATOM 437 O PRO A 27 -5.165 -10.932 5.233 1.00 0.31 O +ATOM 438 CB PRO A 27 -8.489 -11.230 4.490 1.00 0.48 C +ATOM 439 CG PRO A 27 -8.880 -10.091 3.514 1.00 0.48 C +ATOM 440 CD PRO A 27 -8.054 -8.852 3.890 1.00 0.38 C +ATOM 0 HA PRO A 27 -7.891 -10.675 6.427 1.00 0.41 H new +ATOM 0 HB2 PRO A 27 -8.068 -11.960 4.010 1.00 0.48 H new +ATOM 0 HB3 PRO A 27 -9.277 -11.593 4.923 1.00 0.48 H new +ATOM 0 HG2 PRO A 27 -8.703 -10.353 2.597 1.00 0.48 H new +ATOM 0 HG3 PRO A 27 -9.829 -9.900 3.577 1.00 0.48 H new +ATOM 0 HD2 PRO A 27 -7.469 -8.585 3.164 1.00 0.38 H new +ATOM 0 HD3 PRO A 27 -8.626 -8.094 4.087 1.00 0.38 H new +ATOM 448 N GLU A 28 -6.289 -12.685 5.931 1.00 0.50 N +ATOM 449 CA GLU A 28 -5.058 -13.519 5.972 1.00 0.53 C +ATOM 450 C GLU A 28 -4.729 -13.997 4.558 1.00 0.49 C +ATOM 451 O GLU A 28 -3.622 -14.407 4.273 1.00 0.51 O +ATOM 452 CB GLU A 28 -5.295 -14.732 6.871 1.00 0.67 C +ATOM 453 CG GLU A 28 -5.557 -14.268 8.305 1.00 1.14 C +ATOM 454 CD GLU A 28 -5.237 -15.405 9.276 1.00 1.65 C +ATOM 455 OE1 GLU A 28 -4.380 -16.210 8.953 1.00 2.31 O +ATOM 456 OE2 GLU A 28 -5.856 -15.452 10.327 1.00 2.20 O +ATOM 0 H GLU A 28 -7.011 -13.087 6.168 1.00 0.50 H new +ATOM 0 HA GLU A 28 -4.321 -12.995 6.322 1.00 0.53 H new +ATOM 0 HB2 GLU A 28 -6.051 -15.245 6.544 1.00 0.67 H new +ATOM 0 HB3 GLU A 28 -4.523 -15.319 6.848 1.00 0.67 H new +ATOM 0 HG2 GLU A 28 -5.011 -13.492 8.509 1.00 1.14 H new +ATOM 0 HG3 GLU A 28 -6.483 -13.997 8.403 1.00 1.14 H new +ATOM 463 N TYR A 29 -5.686 -13.952 3.671 1.00 0.47 N +ATOM 464 CA TYR A 29 -5.426 -14.409 2.279 1.00 0.44 C +ATOM 465 C TYR A 29 -5.020 -13.218 1.409 1.00 0.37 C +ATOM 466 O TYR A 29 -4.999 -13.312 0.198 1.00 0.38 O +ATOM 467 CB TYR A 29 -6.686 -15.061 1.704 1.00 0.51 C +ATOM 468 CG TYR A 29 -7.900 -14.250 2.087 1.00 0.66 C +ATOM 469 CD1 TYR A 29 -8.300 -13.171 1.290 1.00 1.29 C +ATOM 470 CD2 TYR A 29 -8.627 -14.579 3.237 1.00 1.53 C +ATOM 471 CE1 TYR A 29 -9.428 -12.421 1.643 1.00 1.43 C +ATOM 472 CE2 TYR A 29 -9.756 -13.829 3.590 1.00 1.75 C +ATOM 473 CZ TYR A 29 -10.156 -12.750 2.793 1.00 1.24 C +ATOM 0 H TYR A 29 -6.485 -13.672 3.823 1.00 0.47 H new +ATOM 0 HA TYR A 29 -4.705 -15.058 2.288 1.00 0.44 H new +ATOM 0 HB2 TYR A 29 -6.618 -15.121 0.738 1.00 0.51 H new +ATOM 0 HB3 TYR A 29 -6.773 -15.967 2.039 1.00 0.51 H new +ATOM 0 HD1 TYR A 29 -7.816 -12.952 0.526 1.00 1.29 H new +ATOM 0 HD2 TYR A 29 -8.360 -15.295 3.767 1.00 1.53 H new +ATOM 0 HE1 TYR A 29 -9.694 -11.704 1.114 1.00 1.43 H new +ATOM 0 HE2 TYR A 29 -10.240 -14.048 4.354 1.00 1.75 H new +ATOM 484 N TYR A 30 -4.694 -12.103 2.017 1.00 0.32 N +ATOM 485 CA TYR A 30 -4.275 -10.903 1.222 1.00 0.28 C +ATOM 486 C TYR A 30 -3.419 -11.366 0.035 1.00 0.32 C +ATOM 487 O TYR A 30 -2.281 -11.759 0.193 1.00 0.38 O +ATOM 488 CB TYR A 30 -3.462 -9.958 2.121 1.00 0.29 C +ATOM 489 CG TYR A 30 -3.006 -8.741 1.339 1.00 0.20 C +ATOM 490 CD1 TYR A 30 -3.750 -8.286 0.243 1.00 0.47 C +ATOM 491 CD2 TYR A 30 -1.832 -8.068 1.715 1.00 0.48 C +ATOM 492 CE1 TYR A 30 -3.319 -7.163 -0.477 1.00 0.49 C +ATOM 493 CE2 TYR A 30 -1.400 -6.943 0.995 1.00 0.49 C +ATOM 494 CZ TYR A 30 -2.145 -6.493 -0.102 1.00 0.25 C +ATOM 0 H TYR A 30 -4.699 -11.992 2.870 1.00 0.32 H new +ATOM 0 HA TYR A 30 -5.056 -10.432 0.891 1.00 0.28 H new +ATOM 0 HB2 TYR A 30 -4.001 -9.679 2.878 1.00 0.29 H new +ATOM 0 HB3 TYR A 30 -2.692 -10.426 2.479 1.00 0.29 H new +ATOM 0 HD1 TYR A 30 -4.529 -8.728 -0.007 1.00 0.47 H new +ATOM 0 HD2 TYR A 30 -1.339 -8.369 2.444 1.00 0.48 H new +ATOM 0 HE1 TYR A 30 -3.813 -6.861 -1.205 1.00 0.49 H new +ATOM 0 HE2 TYR A 30 -0.622 -6.499 1.245 1.00 0.49 H new +ATOM 505 N GLY A 31 -3.974 -11.339 -1.151 1.00 0.39 N +ATOM 506 CA GLY A 31 -3.215 -11.796 -2.357 1.00 0.51 C +ATOM 507 C GLY A 31 -2.004 -10.892 -2.611 1.00 0.58 C +ATOM 508 O GLY A 31 -1.214 -11.146 -3.495 1.00 1.36 O +ATOM 0 H GLY A 31 -4.775 -11.069 -1.308 1.00 0.39 H new +ATOM 0 HA2 GLY A 31 -2.920 -12.711 -2.231 1.00 0.51 H new +ATOM 0 HA3 GLY A 31 -3.797 -11.790 -3.133 1.00 0.51 H new +ATOM 512 N GLU A 32 -1.870 -9.835 -1.853 1.00 0.56 N +ATOM 513 CA GLU A 32 -0.726 -8.877 -2.011 1.00 0.54 C +ATOM 514 C GLU A 32 -0.533 -8.420 -3.470 1.00 0.54 C +ATOM 515 O GLU A 32 0.377 -7.671 -3.760 1.00 0.59 O +ATOM 516 CB GLU A 32 0.582 -9.491 -1.474 1.00 0.66 C +ATOM 517 CG GLU A 32 0.741 -10.947 -1.915 1.00 1.51 C +ATOM 518 CD GLU A 32 2.052 -11.506 -1.358 1.00 1.87 C +ATOM 519 OE1 GLU A 32 3.044 -10.799 -1.410 1.00 2.36 O +ATOM 520 OE2 GLU A 32 2.040 -12.632 -0.890 1.00 2.37 O +ATOM 0 H GLU A 32 -2.420 -9.625 -1.226 1.00 0.56 H new +ATOM 0 HA GLU A 32 -0.950 -8.092 -1.488 1.00 0.54 H new +ATOM 0 HB2 GLU A 32 1.338 -8.972 -1.790 1.00 0.66 H new +ATOM 0 HB3 GLU A 32 0.590 -9.443 -0.505 1.00 0.66 H new +ATOM 0 HG2 GLU A 32 -0.008 -11.475 -1.598 1.00 1.51 H new +ATOM 0 HG3 GLU A 32 0.739 -11.004 -2.883 1.00 1.51 H new +ATOM 527 N ASN A 33 -1.373 -8.817 -4.389 1.00 0.51 N +ATOM 528 CA ASN A 33 -1.203 -8.335 -5.792 1.00 0.53 C +ATOM 529 C ASN A 33 -1.891 -6.977 -5.927 1.00 0.50 C +ATOM 530 O ASN A 33 -2.423 -6.444 -4.974 1.00 0.56 O +ATOM 531 CB ASN A 33 -1.811 -9.321 -6.806 1.00 0.54 C +ATOM 532 CG ASN A 33 -2.420 -10.533 -6.096 1.00 0.62 C +ATOM 533 OD1 ASN A 33 -1.721 -11.465 -5.752 1.00 1.57 O +ATOM 534 ND2 ASN A 33 -3.703 -10.559 -5.864 1.00 0.82 N +ATOM 0 H ASN A 33 -2.037 -9.348 -4.257 1.00 0.51 H new +ATOM 0 HA ASN A 33 -0.255 -8.261 -5.982 1.00 0.53 H new +ATOM 0 HB2 ASN A 33 -2.493 -8.872 -7.329 1.00 0.54 H new +ATOM 0 HB3 ASN A 33 -1.126 -9.616 -7.426 1.00 0.54 H new +ATOM 0 HD21 ASN A 33 -4.055 -11.236 -5.467 1.00 0.82 H new +ATOM 0 HD22 ASN A 33 -4.197 -9.899 -6.108 1.00 0.82 H new +ATOM 541 N LEU A 34 -1.918 -6.429 -7.107 1.00 0.48 N +ATOM 542 CA LEU A 34 -2.609 -5.125 -7.305 1.00 0.47 C +ATOM 543 C LEU A 34 -4.108 -5.392 -7.331 1.00 0.40 C +ATOM 544 O LEU A 34 -4.911 -4.621 -6.852 1.00 0.37 O +ATOM 545 CB LEU A 34 -2.204 -4.539 -8.650 1.00 0.55 C +ATOM 546 CG LEU A 34 -0.749 -4.072 -8.606 1.00 0.64 C +ATOM 547 CD1 LEU A 34 -0.358 -3.503 -9.971 1.00 0.82 C +ATOM 548 CD2 LEU A 34 -0.590 -2.986 -7.539 1.00 0.61 C +ATOM 0 H LEU A 34 -1.559 -6.764 -7.813 1.00 0.48 H new +ATOM 0 HA LEU A 34 -2.374 -4.508 -6.594 1.00 0.47 H new +ATOM 0 HB2 LEU A 34 -2.316 -5.204 -9.347 1.00 0.55 H new +ATOM 0 HB3 LEU A 34 -2.783 -3.794 -8.873 1.00 0.55 H new +ATOM 0 HG LEU A 34 -0.175 -4.824 -8.389 1.00 0.64 H new +ATOM 0 HD11 LEU A 34 0.565 -3.206 -9.946 1.00 0.82 H new +ATOM 0 HD12 LEU A 34 -0.458 -4.190 -10.649 1.00 0.82 H new +ATOM 0 HD13 LEU A 34 -0.933 -2.752 -10.186 1.00 0.82 H new +ATOM 0 HD21 LEU A 34 0.334 -2.691 -7.512 1.00 0.61 H new +ATOM 0 HD22 LEU A 34 -1.163 -2.234 -7.755 1.00 0.61 H new +ATOM 0 HD23 LEU A 34 -0.840 -3.344 -6.673 1.00 0.61 H new +ATOM 560 N ASP A 35 -4.469 -6.494 -7.911 1.00 0.39 N +ATOM 561 CA ASP A 35 -5.897 -6.886 -8.018 1.00 0.36 C +ATOM 562 C ASP A 35 -6.467 -7.173 -6.632 1.00 0.30 C +ATOM 563 O ASP A 35 -7.614 -6.894 -6.351 1.00 0.28 O +ATOM 564 CB ASP A 35 -5.975 -8.167 -8.833 1.00 0.38 C +ATOM 565 CG ASP A 35 -5.683 -7.865 -10.303 1.00 0.43 C +ATOM 566 OD1 ASP A 35 -6.344 -7.000 -10.853 1.00 1.24 O +ATOM 567 OD2 ASP A 35 -4.803 -8.506 -10.856 1.00 1.06 O +ATOM 0 H ASP A 35 -3.919 -7.054 -8.262 1.00 0.39 H new +ATOM 0 HA ASP A 35 -6.400 -6.168 -8.434 1.00 0.36 H new +ATOM 0 HB2 ASP A 35 -5.337 -8.815 -8.494 1.00 0.38 H new +ATOM 0 HB3 ASP A 35 -6.856 -8.563 -8.744 1.00 0.38 H new +ATOM 572 N ALA A 36 -5.676 -7.742 -5.769 1.00 0.29 N +ATOM 573 CA ALA A 36 -6.180 -8.058 -4.401 1.00 0.25 C +ATOM 574 C ALA A 36 -6.124 -6.799 -3.563 1.00 0.22 C +ATOM 575 O ALA A 36 -7.111 -6.353 -3.016 1.00 0.22 O +ATOM 576 CB ALA A 36 -5.310 -9.125 -3.749 1.00 0.29 C +ATOM 0 H ALA A 36 -4.858 -7.961 -5.920 1.00 0.29 H new +ATOM 0 HA ALA A 36 -7.090 -8.388 -4.463 1.00 0.25 H new +ATOM 0 HB1 ALA A 36 -5.648 -9.321 -2.861 1.00 0.29 H new +ATOM 0 HB2 ALA A 36 -5.329 -9.932 -4.287 1.00 0.29 H new +ATOM 0 HB3 ALA A 36 -4.397 -8.803 -3.683 1.00 0.29 H new +ATOM 582 N LEU A 37 -4.967 -6.217 -3.477 1.00 0.21 N +ATOM 583 CA LEU A 37 -4.820 -4.966 -2.697 1.00 0.19 C +ATOM 584 C LEU A 37 -5.987 -4.058 -3.064 1.00 0.16 C +ATOM 585 O LEU A 37 -6.706 -3.539 -2.224 1.00 0.16 O +ATOM 586 CB LEU A 37 -3.502 -4.299 -3.095 1.00 0.21 C +ATOM 587 CG LEU A 37 -3.539 -2.815 -2.724 1.00 0.20 C +ATOM 588 CD1 LEU A 37 -3.557 -2.667 -1.201 1.00 0.22 C +ATOM 589 CD2 LEU A 37 -2.302 -2.115 -3.290 1.00 0.24 C +ATOM 0 H LEU A 37 -4.246 -6.503 -3.848 1.00 0.21 H new +ATOM 0 HA LEU A 37 -4.817 -5.140 -1.743 1.00 0.19 H new +ATOM 0 HB2 LEU A 37 -2.761 -4.735 -2.646 1.00 0.21 H new +ATOM 0 HB3 LEU A 37 -3.354 -4.399 -4.048 1.00 0.21 H new +ATOM 0 HG LEU A 37 -4.338 -2.411 -3.097 1.00 0.20 H new +ATOM 0 HD11 LEU A 37 -3.580 -1.726 -0.967 1.00 0.22 H new +ATOM 0 HD12 LEU A 37 -4.343 -3.108 -0.842 1.00 0.22 H new +ATOM 0 HD13 LEU A 37 -2.759 -3.073 -0.827 1.00 0.22 H new +ATOM 0 HD21 LEU A 37 -2.326 -1.174 -3.054 1.00 0.24 H new +ATOM 0 HD22 LEU A 37 -1.503 -2.520 -2.919 1.00 0.24 H new +ATOM 0 HD23 LEU A 37 -2.292 -2.206 -4.256 1.00 0.24 H new +ATOM 601 N TRP A 38 -6.173 -3.884 -4.333 1.00 0.17 N +ATOM 602 CA TRP A 38 -7.277 -3.046 -4.821 1.00 0.16 C +ATOM 603 C TRP A 38 -8.577 -3.613 -4.303 1.00 0.16 C +ATOM 604 O TRP A 38 -9.345 -2.951 -3.643 1.00 0.16 O +ATOM 605 CB TRP A 38 -7.315 -3.093 -6.341 1.00 0.18 C +ATOM 606 CG TRP A 38 -8.456 -2.267 -6.801 1.00 0.18 C +ATOM 607 CD1 TRP A 38 -9.708 -2.718 -6.963 1.00 0.21 C +ATOM 608 CD2 TRP A 38 -8.476 -0.860 -7.128 1.00 0.18 C +ATOM 609 NE1 TRP A 38 -10.508 -1.672 -7.389 1.00 0.23 N +ATOM 610 CE2 TRP A 38 -9.785 -0.502 -7.508 1.00 0.20 C +ATOM 611 CE3 TRP A 38 -7.487 0.125 -7.138 1.00 0.17 C +ATOM 612 CZ2 TRP A 38 -10.099 0.802 -7.885 1.00 0.22 C +ATOM 613 CZ3 TRP A 38 -7.785 1.430 -7.507 1.00 0.19 C +ATOM 0 H TRP A 38 -5.684 -4.232 -4.949 1.00 0.17 H new +ATOM 0 HA TRP A 38 -7.151 -2.133 -4.518 1.00 0.16 H new +ATOM 0 HB2 TRP A 38 -6.483 -2.757 -6.711 1.00 0.18 H new +ATOM 0 HB3 TRP A 38 -7.414 -4.008 -6.649 1.00 0.18 H new +ATOM 0 HD1 TRP A 38 -9.992 -3.591 -6.814 1.00 0.21 H new +ATOM 0 HE1 TRP A 38 -11.348 -1.742 -7.558 1.00 0.23 H new +ATOM 0 HE3 TRP A 38 -6.617 -0.096 -6.894 1.00 0.17 H new +ATOM 625 N ASP A 39 -8.815 -4.850 -4.599 1.00 0.17 N +ATOM 626 CA ASP A 39 -10.061 -5.500 -4.130 1.00 0.18 C +ATOM 627 C ASP A 39 -10.283 -5.117 -2.672 1.00 0.18 C +ATOM 628 O ASP A 39 -11.394 -5.091 -2.182 1.00 0.21 O +ATOM 629 CB ASP A 39 -9.927 -7.017 -4.254 1.00 0.21 C +ATOM 630 CG ASP A 39 -10.613 -7.488 -5.537 1.00 0.29 C +ATOM 631 OD1 ASP A 39 -10.045 -7.286 -6.598 1.00 1.13 O +ATOM 632 OD2 ASP A 39 -11.695 -8.044 -5.438 1.00 1.06 O +ATOM 0 H ASP A 39 -8.293 -5.352 -5.063 1.00 0.17 H new +ATOM 0 HA ASP A 39 -10.814 -5.209 -4.668 1.00 0.18 H new +ATOM 0 HB2 ASP A 39 -8.990 -7.268 -4.266 1.00 0.21 H new +ATOM 0 HB3 ASP A 39 -10.327 -7.451 -3.484 1.00 0.21 H new +ATOM 637 N CYS A 40 -9.222 -4.807 -1.977 1.00 0.17 N +ATOM 638 CA CYS A 40 -9.354 -4.412 -0.556 1.00 0.19 C +ATOM 639 C CYS A 40 -9.797 -2.948 -0.466 1.00 0.19 C +ATOM 640 O CYS A 40 -10.745 -2.623 0.218 1.00 0.23 O +ATOM 641 CB CYS A 40 -8.001 -4.580 0.132 1.00 0.21 C +ATOM 642 SG CYS A 40 -7.334 -6.221 -0.239 1.00 0.58 S +ATOM 0 H CYS A 40 -8.418 -4.811 -2.282 1.00 0.17 H new +ATOM 0 HA CYS A 40 -10.017 -4.971 -0.121 1.00 0.19 H new +ATOM 0 HB2 CYS A 40 -7.386 -3.894 -0.171 1.00 0.21 H new +ATOM 0 HB3 CYS A 40 -8.099 -4.469 1.091 1.00 0.21 H new +ATOM 0 HG CYS A 40 -7.520 -6.477 -1.397 1.00 0.58 H new +ATOM 648 N LEU A 41 -9.117 -2.057 -1.142 1.00 0.17 N +ATOM 649 CA LEU A 41 -9.497 -0.625 -1.076 1.00 0.18 C +ATOM 650 C LEU A 41 -10.943 -0.424 -1.548 1.00 0.21 C +ATOM 651 O LEU A 41 -11.729 0.247 -0.908 1.00 0.45 O +ATOM 652 CB LEU A 41 -8.562 0.173 -1.981 1.00 0.17 C +ATOM 653 CG LEU A 41 -7.117 -0.285 -1.776 1.00 0.19 C +ATOM 654 CD1 LEU A 41 -6.189 0.625 -2.567 1.00 0.18 C +ATOM 655 CD2 LEU A 41 -6.760 -0.219 -0.289 1.00 0.31 C +ATOM 0 H LEU A 41 -8.440 -2.233 -1.643 1.00 0.17 H new +ATOM 0 HA LEU A 41 -9.425 -0.322 -0.157 1.00 0.18 H new +ATOM 0 HB2 LEU A 41 -8.818 0.054 -2.909 1.00 0.17 H new +ATOM 0 HB3 LEU A 41 -8.640 1.120 -1.785 1.00 0.17 H new +ATOM 0 HG LEU A 41 -7.018 -1.199 -2.085 1.00 0.19 H new +ATOM 0 HD11 LEU A 41 -5.271 0.339 -2.441 1.00 0.18 H new +ATOM 0 HD12 LEU A 41 -6.415 0.578 -3.509 1.00 0.18 H new +ATOM 0 HD13 LEU A 41 -6.289 1.538 -2.256 1.00 0.18 H new +ATOM 0 HD21 LEU A 41 -5.843 -0.510 -0.163 1.00 0.31 H new +ATOM 0 HD22 LEU A 41 -6.856 0.693 0.027 1.00 0.31 H new +ATOM 0 HD23 LEU A 41 -7.355 -0.798 0.213 1.00 0.31 H new +ATOM 681 N GLY A 43 -13.262 -2.363 -1.452 1.00 0.27 N +ATOM 682 CA GLY A 43 -14.258 -3.210 -0.729 1.00 0.31 C +ATOM 683 C GLY A 43 -13.627 -3.900 0.484 1.00 0.27 C +ATOM 684 O GLY A 43 -13.610 -5.112 0.574 1.00 0.32 O +ATOM 0 HA2 GLY A 43 -15.003 -2.661 -0.440 1.00 0.31 H new +ATOM 0 HA3 GLY A 43 -14.616 -3.878 -1.334 1.00 0.31 H new +ATOM 688 N TRP A 44 -13.125 -3.148 1.425 1.00 0.25 N +ATOM 689 CA TRP A 44 -12.519 -3.775 2.630 1.00 0.23 C +ATOM 690 C TRP A 44 -11.944 -2.689 3.540 1.00 0.23 C +ATOM 691 O TRP A 44 -12.415 -2.466 4.637 1.00 0.27 O +ATOM 692 CB TRP A 44 -11.402 -4.721 2.201 1.00 0.24 C +ATOM 693 CG TRP A 44 -10.808 -5.362 3.411 1.00 0.26 C +ATOM 694 CD1 TRP A 44 -9.735 -4.894 4.085 1.00 0.27 C +ATOM 695 CD2 TRP A 44 -11.233 -6.571 4.106 1.00 0.30 C +ATOM 696 NE1 TRP A 44 -9.470 -5.739 5.146 1.00 0.31 N +ATOM 697 CE2 TRP A 44 -10.366 -6.788 5.202 1.00 0.34 C +ATOM 698 CE3 TRP A 44 -12.274 -7.493 3.891 1.00 0.35 C +ATOM 699 CZ2 TRP A 44 -10.527 -7.879 6.058 1.00 0.41 C +ATOM 700 CZ3 TRP A 44 -12.439 -8.592 4.750 1.00 0.43 C +ATOM 0 H TRP A 44 -13.111 -2.288 1.413 1.00 0.25 H new +ATOM 0 HA TRP A 44 -13.199 -4.271 3.112 1.00 0.23 H new +ATOM 0 HB2 TRP A 44 -11.750 -5.399 1.601 1.00 0.24 H new +ATOM 0 HB3 TRP A 44 -10.720 -4.233 1.713 1.00 0.24 H new +ATOM 0 HD1 TRP A 44 -9.253 -4.128 3.870 1.00 0.27 H new +ATOM 0 HE1 TRP A 44 -8.825 -5.625 5.704 1.00 0.31 H new +ATOM 0 HE3 TRP A 44 -12.856 -7.374 3.176 1.00 0.35 H new +ATOM 712 N VAL A 45 -10.925 -2.016 3.089 1.00 0.25 N +ATOM 713 CA VAL A 45 -10.304 -0.949 3.912 1.00 0.26 C +ATOM 714 C VAL A 45 -11.350 0.112 4.253 1.00 0.25 C +ATOM 715 O VAL A 45 -12.264 0.362 3.493 1.00 0.37 O +ATOM 716 CB VAL A 45 -9.165 -0.300 3.125 1.00 0.30 C +ATOM 717 CG1 VAL A 45 -8.436 0.706 4.017 1.00 0.42 C +ATOM 718 CG2 VAL A 45 -8.181 -1.377 2.661 1.00 0.28 C +ATOM 0 H VAL A 45 -10.561 -2.139 2.320 1.00 0.25 H new +ATOM 0 HA VAL A 45 -9.957 -1.336 4.731 1.00 0.26 H new +ATOM 0 HB VAL A 45 -9.530 0.158 2.351 1.00 0.30 H new +ATOM 0 HG11 VAL A 45 -7.713 1.118 3.518 1.00 0.42 H new +ATOM 0 HG12 VAL A 45 -9.058 1.391 4.308 1.00 0.42 H new +ATOM 0 HG13 VAL A 45 -8.073 0.249 4.792 1.00 0.42 H new +ATOM 0 HG21 VAL A 45 -7.459 -0.963 2.162 1.00 0.28 H new +ATOM 0 HG22 VAL A 45 -7.817 -1.837 3.433 1.00 0.28 H new +ATOM 0 HG23 VAL A 45 -8.642 -2.014 2.093 1.00 0.28 H new +ATOM 728 N GLU A 46 -11.215 0.751 5.382 1.00 0.21 N +ATOM 729 CA GLU A 46 -12.197 1.808 5.755 1.00 0.23 C +ATOM 730 C GLU A 46 -11.566 3.177 5.505 1.00 0.22 C +ATOM 731 O GLU A 46 -10.440 3.435 5.880 1.00 0.22 O +ATOM 732 CB GLU A 46 -12.600 1.688 7.231 1.00 0.30 C +ATOM 733 CG GLU A 46 -11.576 0.848 7.993 1.00 1.31 C +ATOM 734 CD GLU A 46 -12.107 0.545 9.395 1.00 1.80 C +ATOM 735 OE1 GLU A 46 -13.089 -0.173 9.493 1.00 2.43 O +ATOM 736 OE2 GLU A 46 -11.524 1.036 10.347 1.00 2.28 O +ATOM 0 H GLU A 46 -10.587 0.614 5.954 1.00 0.21 H new +ATOM 0 HA GLU A 46 -12.995 1.701 5.215 1.00 0.23 H new +ATOM 0 HB2 GLU A 46 -12.664 2.571 7.628 1.00 0.30 H new +ATOM 0 HB3 GLU A 46 -13.478 1.281 7.301 1.00 0.30 H new +ATOM 0 HG2 GLU A 46 -11.403 0.021 7.517 1.00 1.31 H new +ATOM 0 HG3 GLU A 46 -10.733 1.324 8.052 1.00 1.31 H new +ATOM 743 N TYR A 47 -12.285 4.047 4.861 1.00 0.22 N +ATOM 744 CA TYR A 47 -11.744 5.402 4.559 1.00 0.22 C +ATOM 745 C TYR A 47 -12.564 6.446 5.329 1.00 0.26 C +ATOM 746 O TYR A 47 -13.586 6.110 5.892 1.00 0.29 O +ATOM 747 CB TYR A 47 -11.851 5.623 3.045 1.00 0.24 C +ATOM 748 CG TYR A 47 -10.868 4.720 2.323 1.00 0.24 C +ATOM 749 CD1 TYR A 47 -9.830 4.081 3.021 1.00 1.25 C +ATOM 750 CD2 TYR A 47 -10.994 4.520 0.945 1.00 1.21 C +ATOM 751 CE1 TYR A 47 -8.935 3.251 2.342 1.00 1.27 C +ATOM 752 CE2 TYR A 47 -10.094 3.692 0.272 1.00 1.20 C +ATOM 753 CZ TYR A 47 -9.067 3.058 0.970 1.00 0.29 C +ATOM 0 H TYR A 47 -13.085 3.905 4.579 1.00 0.22 H new +ATOM 0 HA TYR A 47 -10.816 5.484 4.830 1.00 0.22 H new +ATOM 0 HB2 TYR A 47 -12.755 5.436 2.746 1.00 0.24 H new +ATOM 0 HB3 TYR A 47 -11.667 6.551 2.831 1.00 0.24 H new +ATOM 0 HD1 TYR A 47 -9.738 4.211 3.937 1.00 1.25 H new +ATOM 0 HD2 TYR A 47 -11.679 4.939 0.476 1.00 1.21 H new +ATOM 0 HE1 TYR A 47 -8.250 2.827 2.807 1.00 1.27 H new +ATOM 0 HE2 TYR A 47 -10.180 3.563 -0.645 1.00 1.20 H new +ATOM 764 N PRO A 48 -12.102 7.682 5.359 1.00 0.27 N +ATOM 765 CA PRO A 48 -10.858 8.134 4.685 1.00 0.25 C +ATOM 766 C PRO A 48 -9.620 7.409 5.219 1.00 0.22 C +ATOM 767 O PRO A 48 -9.455 7.234 6.406 1.00 0.30 O +ATOM 768 CB PRO A 48 -10.761 9.631 5.010 1.00 0.28 C +ATOM 769 CG PRO A 48 -11.970 10.004 5.902 1.00 0.33 C +ATOM 770 CD PRO A 48 -12.815 8.738 6.097 1.00 0.32 C +ATOM 0 HA PRO A 48 -10.890 7.949 3.733 1.00 0.25 H new +ATOM 0 HB2 PRO A 48 -9.928 9.826 5.468 1.00 0.28 H new +ATOM 0 HB3 PRO A 48 -10.766 10.156 4.195 1.00 0.28 H new +ATOM 0 HG2 PRO A 48 -11.668 10.347 6.758 1.00 0.33 H new +ATOM 0 HG3 PRO A 48 -12.497 10.704 5.486 1.00 0.33 H new +ATOM 0 HD2 PRO A 48 -12.899 8.514 7.037 1.00 0.32 H new +ATOM 0 HD3 PRO A 48 -13.714 8.860 5.754 1.00 0.32 H new +ATOM 778 N LEU A 49 -8.744 7.000 4.338 1.00 0.20 N +ATOM 779 CA LEU A 49 -7.502 6.298 4.775 1.00 0.19 C +ATOM 780 C LEU A 49 -6.301 7.182 4.462 1.00 0.19 C +ATOM 781 O LEU A 49 -6.335 7.998 3.567 1.00 0.20 O +ATOM 782 CB LEU A 49 -7.362 4.977 3.994 1.00 0.18 C +ATOM 783 CG LEU A 49 -5.885 4.560 3.861 1.00 0.17 C +ATOM 784 CD1 LEU A 49 -5.350 4.066 5.209 1.00 0.20 C +ATOM 785 CD2 LEU A 49 -5.759 3.447 2.816 1.00 0.16 C +ATOM 0 H LEU A 49 -8.822 7.104 3.488 1.00 0.20 H new +ATOM 0 HA LEU A 49 -7.546 6.115 5.727 1.00 0.19 H new +ATOM 0 HB2 LEU A 49 -7.858 4.277 4.446 1.00 0.18 H new +ATOM 0 HB3 LEU A 49 -7.753 5.077 3.112 1.00 0.18 H new +ATOM 0 HG LEU A 49 -5.364 5.329 3.580 1.00 0.17 H new +ATOM 0 HD11 LEU A 49 -4.420 3.807 5.113 1.00 0.20 H new +ATOM 0 HD12 LEU A 49 -5.421 4.777 5.866 1.00 0.20 H new +ATOM 0 HD13 LEU A 49 -5.870 3.302 5.503 1.00 0.20 H new +ATOM 0 HD21 LEU A 49 -4.829 3.185 2.733 1.00 0.16 H new +ATOM 0 HD22 LEU A 49 -6.287 2.682 3.093 1.00 0.16 H new +ATOM 0 HD23 LEU A 49 -6.082 3.769 1.960 1.00 0.16 H new +ATOM 797 N VAL A 50 -5.222 6.985 5.157 1.00 0.21 N +ATOM 798 CA VAL A 50 -4.003 7.770 4.857 1.00 0.22 C +ATOM 799 C VAL A 50 -2.919 6.786 4.408 1.00 0.20 C +ATOM 800 O VAL A 50 -2.748 5.736 4.987 1.00 0.21 O +ATOM 801 CB VAL A 50 -3.555 8.555 6.114 1.00 0.26 C +ATOM 802 CG1 VAL A 50 -2.135 8.158 6.542 1.00 0.26 C +ATOM 803 CG2 VAL A 50 -3.567 10.051 5.802 1.00 0.29 C +ATOM 0 H VAL A 50 -5.147 6.419 5.800 1.00 0.21 H new +ATOM 0 HA VAL A 50 -4.172 8.418 4.155 1.00 0.22 H new +ATOM 0 HB VAL A 50 -4.169 8.346 6.835 1.00 0.26 H new +ATOM 0 HG11 VAL A 50 -1.881 8.664 7.330 1.00 0.26 H new +ATOM 0 HG12 VAL A 50 -2.111 7.210 6.746 1.00 0.26 H new +ATOM 0 HG13 VAL A 50 -1.514 8.349 5.821 1.00 0.26 H new +ATOM 0 HG21 VAL A 50 -3.287 10.548 6.587 1.00 0.29 H new +ATOM 0 HG22 VAL A 50 -2.958 10.234 5.070 1.00 0.29 H new +ATOM 0 HG23 VAL A 50 -4.464 10.322 5.551 1.00 0.29 H new +ATOM 813 N LEU A 51 -2.167 7.122 3.409 1.00 0.19 N +ATOM 814 CA LEU A 51 -1.081 6.210 2.976 1.00 0.18 C +ATOM 815 C LEU A 51 0.228 6.969 3.109 1.00 0.18 C +ATOM 816 O LEU A 51 0.745 7.517 2.155 1.00 0.20 O +ATOM 817 CB LEU A 51 -1.267 5.748 1.523 1.00 0.17 C +ATOM 818 CG LEU A 51 -0.106 4.823 1.149 1.00 0.19 C +ATOM 819 CD1 LEU A 51 -0.195 3.543 1.973 1.00 0.21 C +ATOM 820 CD2 LEU A 51 -0.185 4.451 -0.328 1.00 0.18 C +ATOM 0 H LEU A 51 -2.241 7.850 2.957 1.00 0.19 H new +ATOM 0 HA LEU A 51 -1.089 5.414 3.530 1.00 0.18 H new +ATOM 0 HB2 LEU A 51 -2.113 5.283 1.424 1.00 0.17 H new +ATOM 0 HB3 LEU A 51 -1.292 6.513 0.928 1.00 0.17 H new +ATOM 0 HG LEU A 51 0.729 5.284 1.326 1.00 0.19 H new +ATOM 0 HD11 LEU A 51 0.540 2.955 1.738 1.00 0.21 H new +ATOM 0 HD12 LEU A 51 -0.145 3.761 2.917 1.00 0.21 H new +ATOM 0 HD13 LEU A 51 -1.037 3.097 1.789 1.00 0.21 H new +ATOM 0 HD21 LEU A 51 0.554 3.865 -0.554 1.00 0.18 H new +ATOM 0 HD22 LEU A 51 -1.023 3.995 -0.503 1.00 0.18 H new +ATOM 0 HD23 LEU A 51 -0.136 5.256 -0.868 1.00 0.18 H new +ATOM 832 N GLU A 52 0.760 7.014 4.296 1.00 0.19 N +ATOM 833 CA GLU A 52 2.031 7.743 4.505 1.00 0.21 C +ATOM 834 C GLU A 52 3.158 6.861 3.988 1.00 0.19 C +ATOM 835 O GLU A 52 3.789 6.122 4.721 1.00 0.19 O +ATOM 836 CB GLU A 52 2.213 8.030 5.996 1.00 0.24 C +ATOM 837 CG GLU A 52 3.642 8.508 6.256 1.00 0.30 C +ATOM 838 CD GLU A 52 3.650 9.471 7.444 1.00 0.64 C +ATOM 839 OE1 GLU A 52 2.717 9.420 8.229 1.00 1.28 O +ATOM 840 OE2 GLU A 52 4.588 10.244 7.550 1.00 1.44 O +ATOM 0 H GLU A 52 0.428 6.645 4.998 1.00 0.19 H new +ATOM 0 HA GLU A 52 2.030 8.590 4.032 1.00 0.21 H new +ATOM 0 HB2 GLU A 52 1.579 8.705 6.285 1.00 0.24 H new +ATOM 0 HB3 GLU A 52 2.031 7.230 6.513 1.00 0.24 H new +ATOM 0 HG2 GLU A 52 4.219 7.750 6.438 1.00 0.30 H new +ATOM 0 HG3 GLU A 52 3.994 8.949 5.467 1.00 0.30 H new +ATOM 847 N TRP A 53 3.385 6.915 2.708 1.00 0.20 N +ATOM 848 CA TRP A 53 4.436 6.072 2.099 1.00 0.20 C +ATOM 849 C TRP A 53 5.813 6.694 2.321 1.00 0.24 C +ATOM 850 O TRP A 53 6.142 7.720 1.760 1.00 0.38 O +ATOM 851 CB TRP A 53 4.175 5.945 0.603 1.00 0.24 C +ATOM 852 CG TRP A 53 4.807 4.689 0.123 1.00 0.23 C +ATOM 853 CD1 TRP A 53 6.084 4.326 0.376 1.00 0.25 C +ATOM 854 CD2 TRP A 53 4.223 3.620 -0.671 1.00 0.21 C +ATOM 855 NE1 TRP A 53 6.325 3.103 -0.214 1.00 0.26 N +ATOM 856 CE2 TRP A 53 5.210 2.627 -0.872 1.00 0.24 C +ATOM 857 CE3 TRP A 53 2.948 3.416 -1.234 1.00 0.21 C +ATOM 858 CZ2 TRP A 53 4.946 1.474 -1.601 1.00 0.25 C +ATOM 859 CZ3 TRP A 53 2.684 2.251 -1.974 1.00 0.23 C +ATOM 0 H TRP A 53 2.959 7.420 2.157 1.00 0.20 H new +ATOM 0 HA TRP A 53 4.417 5.196 2.515 1.00 0.20 H new +ATOM 0 HB2 TRP A 53 3.221 5.932 0.426 1.00 0.24 H new +ATOM 0 HB3 TRP A 53 4.541 6.709 0.130 1.00 0.24 H new +ATOM 0 HD1 TRP A 53 6.700 4.820 0.868 1.00 0.25 H new +ATOM 0 HE1 TRP A 53 7.077 2.688 -0.176 1.00 0.26 H new +ATOM 0 HE3 TRP A 53 2.281 4.053 -1.116 1.00 0.21 H new +ATOM 871 N ARG A 54 6.627 6.069 3.124 1.00 0.26 N +ATOM 872 CA ARG A 54 7.992 6.607 3.371 1.00 0.35 C +ATOM 873 C ARG A 54 8.988 5.823 2.515 1.00 0.49 C +ATOM 874 O ARG A 54 8.781 4.663 2.219 1.00 1.33 O +ATOM 875 CB ARG A 54 8.346 6.446 4.849 1.00 0.44 C +ATOM 876 CG ARG A 54 8.545 7.825 5.481 1.00 0.88 C +ATOM 877 CD ARG A 54 8.772 7.667 6.985 1.00 1.09 C +ATOM 878 NE ARG A 54 10.009 8.396 7.382 1.00 1.40 N +ATOM 879 CZ ARG A 54 10.254 8.632 8.637 1.00 1.87 C +ATOM 0 H ARG A 54 6.440 5.342 3.543 1.00 0.26 H new +ATOM 0 HA ARG A 54 8.025 7.548 3.139 1.00 0.35 H new +ATOM 0 HB2 ARG A 54 7.639 5.967 5.310 1.00 0.44 H new +ATOM 0 HB3 ARG A 54 9.154 5.918 4.942 1.00 0.44 H new +ATOM 0 HG2 ARG A 54 9.304 8.272 5.074 1.00 0.88 H new +ATOM 0 HG3 ARG A 54 7.768 8.382 5.318 1.00 0.88 H new +ATOM 0 HD2 ARG A 54 8.010 8.014 7.475 1.00 1.09 H new +ATOM 0 HD3 ARG A 54 8.852 6.727 7.213 1.00 1.09 H new +ATOM 0 HE ARG A 54 10.562 8.661 6.780 1.00 1.40 H new +ATOM 895 N GLN A 55 10.062 6.439 2.107 1.00 0.53 N +ATOM 896 CA GLN A 55 11.050 5.709 1.264 1.00 0.46 C +ATOM 897 C GLN A 55 10.308 5.032 0.111 1.00 0.53 C +ATOM 898 O GLN A 55 10.193 3.826 0.056 1.00 1.30 O +ATOM 899 CB GLN A 55 11.759 4.650 2.111 1.00 0.55 C +ATOM 900 CG GLN A 55 13.251 4.974 2.186 1.00 1.05 C +ATOM 901 CD GLN A 55 13.542 5.750 3.472 1.00 1.22 C +ATOM 902 OE1 GLN A 55 12.710 5.822 4.354 1.00 1.82 O +ATOM 903 NE2 GLN A 55 14.698 6.338 3.616 1.00 1.89 N +ATOM 0 H GLN A 55 10.261 7.257 2.285 1.00 0.53 H new +ATOM 0 HA GLN A 55 11.708 6.329 0.913 1.00 0.46 H new +ATOM 0 HB2 GLN A 55 11.378 4.626 3.003 1.00 0.55 H new +ATOM 0 HB3 GLN A 55 11.628 3.771 1.723 1.00 0.55 H new +ATOM 0 HG2 GLN A 55 13.771 4.155 2.166 1.00 1.05 H new +ATOM 0 HG3 GLN A 55 13.517 5.497 1.414 1.00 1.05 H new +ATOM 0 HE21 GLN A 55 15.287 6.287 2.992 1.00 1.89 H new +ATOM 0 HE22 GLN A 55 14.871 6.776 4.335 1.00 1.89 H new +ATOM 932 N GLU A 57 10.824 5.355 -3.595 1.00 0.67 N +ATOM 933 CA GLU A 57 11.784 4.768 -4.576 1.00 0.65 C +ATOM 934 C GLU A 57 12.637 3.708 -3.882 1.00 0.58 C +ATOM 935 O GLU A 57 13.002 2.709 -4.467 1.00 0.58 O +ATOM 936 CB GLU A 57 12.703 5.861 -5.118 1.00 0.80 C +ATOM 937 CG GLU A 57 11.991 6.634 -6.229 1.00 1.16 C +ATOM 938 CD GLU A 57 12.794 7.891 -6.571 1.00 1.75 C +ATOM 939 OE1 GLU A 57 13.812 8.110 -5.935 1.00 2.34 O +ATOM 940 OE2 GLU A 57 12.378 8.612 -7.462 1.00 2.41 O +ATOM 0 HA GLU A 57 11.285 4.368 -5.306 1.00 0.65 H new +ATOM 0 HB2 GLU A 57 12.956 6.466 -4.403 1.00 0.80 H new +ATOM 0 HB3 GLU A 57 13.521 5.467 -5.460 1.00 0.80 H new +ATOM 0 HG2 GLU A 57 11.896 6.075 -7.016 1.00 1.16 H new +ATOM 0 HG3 GLU A 57 11.096 6.877 -5.945 1.00 1.16 H new +ATOM 947 N GLN A 58 12.961 3.924 -2.638 1.00 0.58 N +ATOM 948 CA GLN A 58 13.786 2.942 -1.899 1.00 0.60 C +ATOM 949 C GLN A 58 12.982 1.655 -1.731 1.00 0.53 C +ATOM 950 O GLN A 58 13.524 0.569 -1.730 1.00 0.56 O +ATOM 951 CB GLN A 58 14.158 3.516 -0.530 1.00 0.69 C +ATOM 952 CG GLN A 58 15.064 4.735 -0.723 1.00 0.94 C +ATOM 953 CD GLN A 58 16.526 4.322 -0.542 1.00 1.56 C +ATOM 954 OE1 GLN A 58 16.810 3.268 -0.008 1.00 2.34 O +ATOM 955 NE2 GLN A 58 17.472 5.114 -0.966 1.00 1.94 N +ATOM 0 H GLN A 58 12.728 4.618 -2.186 1.00 0.58 H new +ATOM 0 HA GLN A 58 14.601 2.752 -2.389 1.00 0.60 H new +ATOM 0 HB2 GLN A 58 13.357 3.769 -0.045 1.00 0.69 H new +ATOM 0 HB3 GLN A 58 14.612 2.844 0.002 1.00 0.69 H new +ATOM 0 HG2 GLN A 58 14.932 5.111 -1.607 1.00 0.94 H new +ATOM 0 HG3 GLN A 58 14.832 5.426 -0.083 1.00 0.94 H new +ATOM 0 HE21 GLN A 58 17.271 5.860 -1.344 1.00 1.94 H new +ATOM 0 HE22 GLN A 58 18.297 4.890 -0.868 1.00 1.94 H new +ATOM 964 N SER A 59 11.685 1.773 -1.611 1.00 0.52 N +ATOM 965 CA SER A 59 10.829 0.560 -1.473 1.00 0.52 C +ATOM 966 C SER A 59 10.318 0.172 -2.859 1.00 0.44 C +ATOM 967 O SER A 59 9.371 -0.576 -3.002 1.00 0.48 O +ATOM 968 CB SER A 59 9.639 0.859 -0.562 1.00 0.65 C +ATOM 969 OG SER A 59 9.861 0.266 0.709 1.00 1.39 O +ATOM 0 H SER A 59 11.261 2.521 -1.604 1.00 0.52 H new +ATOM 0 HA SER A 59 11.346 -0.164 -1.086 1.00 0.52 H new +ATOM 0 HB2 SER A 59 9.523 1.817 -0.468 1.00 0.65 H new +ATOM 0 HB3 SER A 59 8.823 0.512 -0.954 1.00 0.65 H new +ATOM 0 HG SER A 59 10.644 -0.037 0.744 1.00 1.39 H new +ATOM 975 N LYS A 60 10.954 0.675 -3.881 1.00 0.41 N +ATOM 976 CA LYS A 60 10.532 0.342 -5.266 1.00 0.42 C +ATOM 977 C LYS A 60 11.614 -0.520 -5.922 1.00 0.44 C +ATOM 978 O LYS A 60 11.326 -1.436 -6.666 1.00 0.55 O +ATOM 979 CB LYS A 60 10.356 1.636 -6.062 1.00 0.51 C +ATOM 980 CG LYS A 60 9.518 1.361 -7.311 1.00 1.03 C +ATOM 981 CD LYS A 60 9.317 2.665 -8.084 1.00 1.61 C +ATOM 982 CE LYS A 60 9.529 2.412 -9.575 1.00 2.36 C +ATOM 983 NZ LYS A 60 10.507 3.397 -10.112 1.00 3.11 N +ATOM 0 H LYS A 60 11.627 1.207 -3.824 1.00 0.41 H new +ATOM 0 HA LYS A 60 9.693 -0.144 -5.250 1.00 0.42 H new +ATOM 0 HB2 LYS A 60 9.923 2.308 -5.513 1.00 0.51 H new +ATOM 0 HB3 LYS A 60 11.222 1.991 -6.315 1.00 0.51 H new +ATOM 0 HG2 LYS A 60 9.961 0.705 -7.872 1.00 1.03 H new +ATOM 0 HG3 LYS A 60 8.659 0.986 -7.061 1.00 1.03 H new +ATOM 0 HD2 LYS A 60 8.424 3.010 -7.929 1.00 1.61 H new +ATOM 0 HD3 LYS A 60 9.940 3.338 -7.769 1.00 1.61 H new +ATOM 0 HE2 LYS A 60 9.854 1.509 -9.717 1.00 2.36 H new +ATOM 0 HE3 LYS A 60 8.686 2.488 -10.049 1.00 2.36 H new +ATOM 0 HZ1 LYS A 60 10.631 3.250 -10.981 1.00 3.11 H new +ATOM 0 HZ2 LYS A 60 10.194 4.222 -9.993 1.00 3.11 H new +ATOM 0 HZ3 LYS A 60 11.282 3.310 -9.684 1.00 3.11 H new +ATOM 997 N GLN A 61 12.860 -0.228 -5.655 1.00 0.51 N +ATOM 998 CA GLN A 61 13.963 -1.020 -6.264 1.00 0.62 C +ATOM 999 C GLN A 61 14.010 -2.425 -5.651 1.00 0.60 C +ATOM 1000 O GLN A 61 13.841 -3.416 -6.332 1.00 0.66 O +ATOM 1001 CB GLN A 61 15.297 -0.315 -6.006 1.00 0.73 C +ATOM 1002 CG GLN A 61 15.326 1.021 -6.751 1.00 1.14 C +ATOM 1003 CD GLN A 61 16.704 1.221 -7.385 1.00 1.66 C +ATOM 1004 OE1 GLN A 61 17.499 0.303 -7.440 1.00 2.16 O +ATOM 1005 NE2 GLN A 61 17.024 2.390 -7.868 1.00 2.39 N +ATOM 0 H GLN A 61 13.113 0.409 -5.136 1.00 0.51 H new +ATOM 0 HA GLN A 61 13.806 -1.095 -7.218 1.00 0.62 H new +ATOM 0 HB2 GLN A 61 15.416 -0.168 -5.055 1.00 0.73 H new +ATOM 0 HB3 GLN A 61 16.032 -0.876 -6.301 1.00 0.73 H new +ATOM 0 HG2 GLN A 61 14.639 1.036 -7.436 1.00 1.14 H new +ATOM 0 HG3 GLN A 61 15.132 1.748 -6.139 1.00 1.14 H new +ATOM 0 HE21 GLN A 61 16.462 3.040 -7.829 1.00 2.39 H new +ATOM 0 HE22 GLN A 61 17.797 2.511 -8.225 1.00 2.39 H new +ATOM 1014 N LEU A 62 14.264 -2.497 -4.372 1.00 0.64 N +ATOM 1015 CA LEU A 62 14.358 -3.820 -3.661 1.00 0.71 C +ATOM 1016 C LEU A 62 13.391 -4.833 -4.276 1.00 0.67 C +ATOM 1017 O LEU A 62 13.653 -6.019 -4.302 1.00 0.94 O +ATOM 1018 CB LEU A 62 13.995 -3.678 -2.170 1.00 0.78 C +ATOM 1019 CG LEU A 62 13.609 -2.241 -1.817 1.00 0.78 C +ATOM 1020 CD1 LEU A 62 12.330 -1.844 -2.561 1.00 0.66 C +ATOM 1021 CD2 LEU A 62 13.367 -2.146 -0.310 1.00 0.94 C +ATOM 0 H LEU A 62 14.390 -1.812 -3.868 1.00 0.64 H new +ATOM 0 HA LEU A 62 15.274 -4.124 -3.753 1.00 0.71 H new +ATOM 0 HB2 LEU A 62 13.259 -4.273 -1.958 1.00 0.78 H new +ATOM 0 HB3 LEU A 62 14.749 -3.954 -1.625 1.00 0.78 H new +ATOM 0 HG LEU A 62 14.326 -1.642 -2.077 1.00 0.78 H new +ATOM 0 HD11 LEU A 62 12.092 -0.932 -2.332 1.00 0.66 H new +ATOM 0 HD12 LEU A 62 12.478 -1.908 -3.517 1.00 0.66 H new +ATOM 0 HD13 LEU A 62 11.609 -2.440 -2.305 1.00 0.66 H new +ATOM 0 HD21 LEU A 62 13.122 -1.237 -0.078 1.00 0.94 H new +ATOM 0 HD22 LEU A 62 12.649 -2.748 -0.059 1.00 0.94 H new +ATOM 0 HD23 LEU A 62 14.176 -2.393 0.164 1.00 0.94 H new +ATOM 1047 N GLU A 64 11.921 -4.721 -7.629 1.00 0.95 N +ATOM 1048 CA GLU A 64 11.731 -4.227 -9.035 1.00 1.21 C +ATOM 1049 C GLU A 64 10.247 -4.117 -9.389 1.00 1.18 C +ATOM 1050 O GLU A 64 9.570 -5.108 -9.578 1.00 1.53 O +ATOM 1051 CB GLU A 64 12.403 -5.214 -9.993 1.00 1.55 C +ATOM 1052 CG GLU A 64 12.903 -4.472 -11.231 1.00 1.91 C +ATOM 1053 CD GLU A 64 14.052 -5.257 -11.865 1.00 2.44 C +ATOM 1054 OE1 GLU A 64 14.291 -6.373 -11.432 1.00 3.09 O +ATOM 1055 OE2 GLU A 64 14.675 -4.730 -12.771 1.00 2.79 O +ATOM 0 HA GLU A 64 12.127 -3.345 -9.112 1.00 1.21 H new +ATOM 0 HB2 GLU A 64 13.144 -5.656 -9.549 1.00 1.55 H new +ATOM 0 HB3 GLU A 64 11.774 -5.906 -10.252 1.00 1.55 H new +ATOM 0 HG2 GLU A 64 12.181 -4.364 -11.869 1.00 1.91 H new +ATOM 0 HG3 GLU A 64 13.202 -3.582 -10.988 1.00 1.91 H new +ATOM 1062 N ASN A 65 9.732 -2.920 -9.470 1.00 1.70 N +ATOM 1063 CA ASN A 65 8.289 -2.761 -9.802 1.00 1.68 C +ATOM 1064 C ASN A 65 7.456 -3.157 -8.582 1.00 0.85 C +ATOM 1065 O ASN A 65 6.375 -3.697 -8.706 1.00 1.09 O +ATOM 1066 CB ASN A 65 7.944 -3.685 -10.974 1.00 2.27 C +ATOM 1067 CG ASN A 65 6.828 -3.063 -11.814 1.00 2.89 C +ATOM 1068 OD1 ASN A 65 6.854 -1.884 -12.103 1.00 3.24 O +ATOM 1069 ND2 ASN A 65 5.844 -3.815 -12.224 1.00 3.66 N +ATOM 0 H ASN A 65 10.165 -2.187 -9.345 1.00 1.70 H new +ATOM 0 HA ASN A 65 8.100 -1.841 -10.045 1.00 1.68 H new +ATOM 0 HB2 ASN A 65 8.730 -3.832 -11.523 1.00 2.27 H new +ATOM 0 HB3 ASN A 65 7.665 -4.552 -10.641 1.00 2.27 H new +ATOM 0 HD21 ASN A 65 5.213 -3.476 -12.700 1.00 3.66 H new +ATOM 0 HD22 ASN A 65 5.827 -4.650 -12.019 1.00 3.66 H new +ATOM 1076 N GLY A 66 7.968 -2.928 -7.401 1.00 0.56 N +ATOM 1077 CA GLY A 66 7.225 -3.330 -6.177 1.00 1.20 C +ATOM 1078 C GLY A 66 6.279 -2.227 -5.680 1.00 0.91 C +ATOM 1079 O GLY A 66 5.073 -2.381 -5.677 1.00 1.26 O +ATOM 0 H GLY A 66 8.728 -2.550 -7.260 1.00 0.56 H new +ATOM 0 HA2 GLY A 66 6.713 -4.133 -6.361 1.00 1.20 H new +ATOM 0 HA3 GLY A 66 7.857 -3.551 -5.475 1.00 1.20 H new +ATOM 1083 N ALA A 67 6.826 -1.155 -5.185 1.00 0.39 N +ATOM 1084 CA ALA A 67 5.996 -0.071 -4.590 1.00 0.46 C +ATOM 1085 C ALA A 67 5.313 0.846 -5.615 1.00 0.34 C +ATOM 1086 O ALA A 67 4.352 1.513 -5.286 1.00 0.53 O +ATOM 1087 CB ALA A 67 6.909 0.777 -3.713 1.00 0.64 C +ATOM 0 H ALA A 67 7.673 -1.008 -5.170 1.00 0.39 H new +ATOM 0 HA ALA A 67 5.280 -0.499 -4.096 1.00 0.46 H new +ATOM 0 HB1 ALA A 67 6.396 1.494 -3.310 1.00 0.64 H new +ATOM 0 HB2 ALA A 67 7.293 0.223 -3.015 1.00 0.64 H new +ATOM 0 HB3 ALA A 67 7.620 1.154 -4.255 1.00 0.64 H new +ATOM 1093 N GLU A 68 5.778 0.935 -6.823 1.00 0.27 N +ATOM 1094 CA GLU A 68 5.129 1.851 -7.769 1.00 0.38 C +ATOM 1095 C GLU A 68 3.751 1.292 -8.176 1.00 0.39 C +ATOM 1096 O GLU A 68 2.884 2.021 -8.617 1.00 0.49 O +ATOM 1097 CB GLU A 68 6.069 2.020 -8.971 1.00 0.51 C +ATOM 1098 CG GLU A 68 5.274 2.020 -10.258 1.00 1.38 C +ATOM 1099 CD GLU A 68 6.148 2.521 -11.410 1.00 1.57 C +ATOM 1100 OE1 GLU A 68 6.989 3.370 -11.165 1.00 1.83 O +ATOM 1101 OE2 GLU A 68 5.961 2.047 -12.518 1.00 2.27 O +ATOM 0 H GLU A 68 6.450 0.495 -7.131 1.00 0.27 H new +ATOM 0 HA GLU A 68 4.970 2.721 -7.370 1.00 0.38 H new +ATOM 0 HB2 GLU A 68 6.564 2.850 -8.889 1.00 0.51 H new +ATOM 0 HB3 GLU A 68 6.720 1.301 -8.985 1.00 0.51 H new +ATOM 0 HG2 GLU A 68 4.954 1.125 -10.450 1.00 1.38 H new +ATOM 0 HG3 GLU A 68 4.492 2.587 -10.165 1.00 1.38 H new +ATOM 1108 N SER A 69 3.544 0.011 -8.034 1.00 0.39 N +ATOM 1109 CA SER A 69 2.227 -0.585 -8.417 1.00 0.47 C +ATOM 1110 C SER A 69 1.196 -0.382 -7.297 1.00 0.37 C +ATOM 1111 O SER A 69 0.120 0.157 -7.510 1.00 0.35 O +ATOM 1112 CB SER A 69 2.405 -2.082 -8.669 1.00 0.58 C +ATOM 1113 OG SER A 69 2.127 -2.366 -10.033 1.00 0.90 O +ATOM 0 H SER A 69 4.122 -0.547 -7.726 1.00 0.39 H new +ATOM 0 HA SER A 69 1.908 -0.146 -9.221 1.00 0.47 H new +ATOM 0 HB2 SER A 69 3.311 -2.352 -8.450 1.00 0.58 H new +ATOM 0 HB3 SER A 69 1.811 -2.590 -8.095 1.00 0.58 H new +ATOM 0 HG SER A 69 2.586 -3.024 -10.281 1.00 0.90 H new +ATOM 1119 N VAL A 70 1.509 -0.818 -6.106 1.00 0.34 N +ATOM 1120 CA VAL A 70 0.544 -0.662 -4.984 1.00 0.27 C +ATOM 1121 C VAL A 70 0.107 0.793 -4.912 1.00 0.20 C +ATOM 1122 O VAL A 70 -1.057 1.098 -4.748 1.00 0.20 O +ATOM 1123 CB VAL A 70 1.215 -1.063 -3.671 1.00 0.31 C +ATOM 1124 CG1 VAL A 70 0.288 -0.737 -2.499 1.00 0.29 C +ATOM 1125 CG2 VAL A 70 1.504 -2.565 -3.687 1.00 0.41 C +ATOM 0 H VAL A 70 2.251 -1.202 -5.902 1.00 0.34 H new +ATOM 0 HA VAL A 70 -0.228 -1.231 -5.131 1.00 0.27 H new +ATOM 0 HB VAL A 70 2.045 -0.572 -3.571 1.00 0.31 H new +ATOM 0 HG11 VAL A 70 0.716 -0.992 -1.667 1.00 0.29 H new +ATOM 0 HG12 VAL A 70 0.103 0.215 -2.488 1.00 0.29 H new +ATOM 0 HG13 VAL A 70 -0.543 -1.227 -2.598 1.00 0.29 H new +ATOM 0 HG21 VAL A 70 1.930 -2.822 -2.854 1.00 0.41 H new +ATOM 0 HG22 VAL A 70 0.672 -3.054 -3.788 1.00 0.41 H new +ATOM 0 HG23 VAL A 70 2.093 -2.773 -4.429 1.00 0.41 H new +ATOM 1135 N LEU A 71 1.033 1.696 -5.048 1.00 0.24 N +ATOM 1136 CA LEU A 71 0.663 3.134 -5.002 1.00 0.23 C +ATOM 1137 C LEU A 71 -0.340 3.411 -6.113 1.00 0.23 C +ATOM 1138 O LEU A 71 -1.335 4.061 -5.909 1.00 0.23 O +ATOM 1139 CB LEU A 71 1.897 3.996 -5.229 1.00 0.30 C +ATOM 1140 CG LEU A 71 1.476 5.464 -5.305 1.00 0.35 C +ATOM 1141 CD1 LEU A 71 1.177 5.986 -3.899 1.00 0.36 C +ATOM 1142 CD2 LEU A 71 2.605 6.290 -5.924 1.00 0.43 C +ATOM 0 H LEU A 71 1.869 1.533 -5.166 1.00 0.24 H new +ATOM 0 HA LEU A 71 0.281 3.343 -4.135 1.00 0.23 H new +ATOM 0 HB2 LEU A 71 2.532 3.867 -4.507 1.00 0.30 H new +ATOM 0 HB3 LEU A 71 2.342 3.733 -6.050 1.00 0.30 H new +ATOM 0 HG LEU A 71 0.680 5.541 -5.854 1.00 0.35 H new +ATOM 0 HD11 LEU A 71 0.910 6.917 -3.949 1.00 0.36 H new +ATOM 0 HD12 LEU A 71 0.459 5.465 -3.506 1.00 0.36 H new +ATOM 0 HD13 LEU A 71 1.972 5.907 -3.349 1.00 0.36 H new +ATOM 0 HD21 LEU A 71 2.337 7.221 -5.972 1.00 0.43 H new +ATOM 0 HD22 LEU A 71 3.402 6.211 -5.376 1.00 0.43 H new +ATOM 0 HD23 LEU A 71 2.794 5.962 -6.817 1.00 0.43 H new +ATOM 1154 N GLN A 72 -0.083 2.914 -7.289 1.00 0.28 N +ATOM 1155 CA GLN A 72 -1.027 3.138 -8.419 1.00 0.30 C +ATOM 1156 C GLN A 72 -2.417 2.716 -7.977 1.00 0.25 C +ATOM 1157 O GLN A 72 -3.408 3.314 -8.334 1.00 0.25 O +ATOM 1158 CB GLN A 72 -0.583 2.279 -9.617 1.00 0.35 C +ATOM 1159 CG GLN A 72 -1.789 1.868 -10.473 1.00 1.18 C +ATOM 1160 CD GLN A 72 -1.304 1.317 -11.813 1.00 1.42 C +ATOM 1161 OE1 GLN A 72 -1.069 2.064 -12.742 1.00 1.78 O +ATOM 1162 NE2 GLN A 72 -1.144 0.029 -11.955 1.00 1.97 N +ATOM 0 H GLN A 72 0.613 2.447 -7.482 1.00 0.28 H new +ATOM 0 HA GLN A 72 -1.033 4.073 -8.677 1.00 0.30 H new +ATOM 0 HB2 GLN A 72 0.049 2.776 -10.160 1.00 0.35 H new +ATOM 0 HB3 GLN A 72 -0.122 1.487 -9.299 1.00 0.35 H new +ATOM 0 HG2 GLN A 72 -2.313 1.197 -10.008 1.00 1.18 H new +ATOM 0 HG3 GLN A 72 -2.369 2.632 -10.618 1.00 1.18 H new +ATOM 0 HE21 GLN A 72 -1.310 -0.500 -11.298 1.00 1.97 H new +ATOM 0 HE22 GLN A 72 -0.872 -0.290 -12.706 1.00 1.97 H new +ATOM 1171 N VAL A 73 -2.487 1.666 -7.230 1.00 0.23 N +ATOM 1172 CA VAL A 73 -3.797 1.162 -6.774 1.00 0.20 C +ATOM 1173 C VAL A 73 -4.352 2.055 -5.661 1.00 0.16 C +ATOM 1174 O VAL A 73 -5.547 2.201 -5.514 1.00 0.16 O +ATOM 1175 CB VAL A 73 -3.590 -0.254 -6.268 1.00 0.21 C +ATOM 1176 CG1 VAL A 73 -4.840 -0.752 -5.547 1.00 0.20 C +ATOM 1177 CG2 VAL A 73 -3.258 -1.151 -7.468 1.00 0.26 C +ATOM 0 H VAL A 73 -1.808 1.212 -6.961 1.00 0.23 H new +ATOM 0 HA VAL A 73 -4.438 1.170 -7.502 1.00 0.20 H new +ATOM 0 HB VAL A 73 -2.858 -0.276 -5.631 1.00 0.21 H new +ATOM 0 HG11 VAL A 73 -4.692 -1.657 -5.230 1.00 0.20 H new +ATOM 0 HG12 VAL A 73 -5.031 -0.173 -4.793 1.00 0.20 H new +ATOM 0 HG13 VAL A 73 -5.592 -0.743 -6.159 1.00 0.20 H new +ATOM 0 HG21 VAL A 73 -3.122 -2.062 -7.164 1.00 0.26 H new +ATOM 0 HG22 VAL A 73 -3.992 -1.129 -8.102 1.00 0.26 H new +ATOM 0 HG23 VAL A 73 -2.450 -0.830 -7.898 1.00 0.26 H new +ATOM 1207 N ARG A 75 -3.859 5.334 -5.388 1.00 0.19 N +ATOM 1208 CA ARG A 75 -4.271 6.610 -6.018 1.00 0.23 C +ATOM 1209 C ARG A 75 -5.453 6.341 -6.929 1.00 0.24 C +ATOM 1210 O ARG A 75 -6.368 7.124 -7.030 1.00 0.33 O +ATOM 1211 CB ARG A 75 -3.119 7.150 -6.851 1.00 0.26 C +ATOM 1212 CG ARG A 75 -1.995 7.625 -5.930 1.00 0.54 C +ATOM 1213 CD ARG A 75 -1.790 9.130 -6.107 1.00 1.28 C +ATOM 1214 NE ARG A 75 -1.186 9.394 -7.445 1.00 1.38 N +ATOM 1215 CZ ARG A 75 -1.177 10.604 -7.930 1.00 1.76 C +ATOM 0 HA ARG A 75 -4.513 7.255 -5.335 1.00 0.23 H new +ATOM 0 HB2 ARG A 75 -2.790 6.461 -7.449 1.00 0.26 H new +ATOM 0 HB3 ARG A 75 -3.426 7.884 -7.406 1.00 0.26 H new +ATOM 0 HG2 ARG A 75 -2.215 7.425 -5.007 1.00 0.54 H new +ATOM 0 HG3 ARG A 75 -1.174 7.151 -6.135 1.00 0.54 H new +ATOM 0 HD2 ARG A 75 -2.638 9.594 -6.027 1.00 1.28 H new +ATOM 0 HD3 ARG A 75 -1.212 9.472 -5.407 1.00 1.28 H new +ATOM 0 HE ARG A 75 -0.843 8.747 -7.897 1.00 1.38 H new +ATOM 1231 N GLU A 76 -5.429 5.219 -7.581 1.00 0.22 N +ATOM 1232 CA GLU A 76 -6.544 4.838 -8.482 1.00 0.23 C +ATOM 1233 C GLU A 76 -7.787 4.692 -7.616 1.00 0.21 C +ATOM 1234 O GLU A 76 -8.839 5.219 -7.917 1.00 0.23 O +ATOM 1235 CB GLU A 76 -6.206 3.501 -9.129 1.00 0.24 C +ATOM 1236 CG GLU A 76 -5.555 3.723 -10.494 1.00 0.30 C +ATOM 1237 CD GLU A 76 -6.631 4.058 -11.527 1.00 0.89 C +ATOM 1238 OE1 GLU A 76 -7.781 3.734 -11.282 1.00 1.65 O +ATOM 1239 OE2 GLU A 76 -6.286 4.632 -12.547 1.00 1.48 O +ATOM 0 H GLU A 76 -4.790 4.645 -7.535 1.00 0.22 H new +ATOM 0 HA GLU A 76 -6.689 5.500 -9.176 1.00 0.23 H new +ATOM 0 HB2 GLU A 76 -5.606 2.999 -8.555 1.00 0.24 H new +ATOM 0 HB3 GLU A 76 -7.012 2.970 -9.230 1.00 0.24 H new +ATOM 0 HG2 GLU A 76 -4.909 4.445 -10.441 1.00 0.30 H new +ATOM 0 HG3 GLU A 76 -5.070 2.928 -10.765 1.00 0.30 H new +ATOM 1246 N ALA A 77 -7.653 4.005 -6.512 1.00 0.18 N +ATOM 1247 CA ALA A 77 -8.796 3.857 -5.591 1.00 0.17 C +ATOM 1248 C ALA A 77 -9.143 5.259 -5.113 1.00 0.19 C +ATOM 1249 O ALA A 77 -10.294 5.632 -5.003 1.00 0.20 O +ATOM 1250 CB ALA A 77 -8.403 2.975 -4.403 1.00 0.17 C +ATOM 0 H ALA A 77 -6.929 3.614 -6.262 1.00 0.18 H new +ATOM 0 HA ALA A 77 -9.552 3.437 -6.030 1.00 0.17 H new +ATOM 0 HB1 ALA A 77 -9.160 2.883 -3.803 1.00 0.17 H new +ATOM 0 HB2 ALA A 77 -8.137 2.099 -4.724 1.00 0.17 H new +ATOM 0 HB3 ALA A 77 -7.662 3.383 -3.928 1.00 0.17 H new +ATOM 1256 N LYS A 78 -8.133 6.059 -4.876 1.00 0.21 N +ATOM 1257 CA LYS A 78 -8.377 7.464 -4.462 1.00 0.24 C +ATOM 1258 C LYS A 78 -9.200 8.121 -5.560 1.00 0.28 C +ATOM 1259 O LYS A 78 -9.990 9.016 -5.336 1.00 0.32 O +ATOM 1260 CB LYS A 78 -7.038 8.187 -4.372 1.00 0.26 C +ATOM 1261 CG LYS A 78 -7.077 9.218 -3.247 1.00 0.32 C +ATOM 1262 CD LYS A 78 -7.173 10.619 -3.855 1.00 0.70 C +ATOM 1263 CE LYS A 78 -7.216 11.663 -2.738 1.00 0.99 C +ATOM 1264 NZ LYS A 78 -6.353 12.821 -3.109 1.00 1.50 N +ATOM 0 H LYS A 78 -7.305 5.836 -4.941 1.00 0.21 H new +ATOM 0 HA LYS A 78 -8.833 7.500 -3.607 1.00 0.24 H new +ATOM 0 HB2 LYS A 78 -6.327 7.548 -4.211 1.00 0.26 H new +ATOM 0 HB3 LYS A 78 -6.840 8.624 -5.215 1.00 0.26 H new +ATOM 0 HG2 LYS A 78 -7.837 9.052 -2.667 1.00 0.32 H new +ATOM 0 HG3 LYS A 78 -6.280 9.145 -2.698 1.00 0.32 H new +ATOM 0 HD2 LYS A 78 -6.412 10.783 -4.434 1.00 0.70 H new +ATOM 0 HD3 LYS A 78 -7.969 10.689 -4.406 1.00 0.70 H new +ATOM 0 HE2 LYS A 78 -8.128 11.960 -2.594 1.00 0.99 H new +ATOM 0 HE3 LYS A 78 -6.910 11.272 -1.905 1.00 0.99 H new +ATOM 0 HZ1 LYS A 78 -6.377 13.429 -2.460 1.00 1.50 H new +ATOM 0 HZ2 LYS A 78 -5.515 12.543 -3.223 1.00 1.50 H new +ATOM 0 HZ3 LYS A 78 -6.651 13.183 -3.866 1.00 1.50 H new +ATOM 1278 N ALA A 79 -8.984 7.664 -6.756 1.00 0.28 N +ATOM 1279 CA ALA A 79 -9.690 8.204 -7.933 1.00 0.33 C +ATOM 1280 C ALA A 79 -11.110 7.645 -7.972 1.00 0.32 C +ATOM 1281 O ALA A 79 -12.027 8.262 -8.477 1.00 0.38 O +ATOM 1282 CB ALA A 79 -8.920 7.757 -9.173 1.00 0.35 C +ATOM 0 H ALA A 79 -8.429 7.032 -6.935 1.00 0.28 H new +ATOM 0 HA ALA A 79 -9.740 9.172 -7.895 1.00 0.33 H new +ATOM 0 HB1 ALA A 79 -9.360 8.097 -9.968 1.00 0.35 H new +ATOM 0 HB2 ALA A 79 -8.014 8.101 -9.133 1.00 0.35 H new +ATOM 0 HB3 ALA A 79 -8.896 6.788 -9.207 1.00 0.35 H new +ATOM 1288 N GLU A 80 -11.285 6.472 -7.440 1.00 0.28 N +ATOM 1289 CA GLU A 80 -12.620 5.829 -7.425 1.00 0.29 C +ATOM 1290 C GLU A 80 -13.585 6.626 -6.544 1.00 0.37 C +ATOM 1291 O GLU A 80 -14.762 6.332 -6.476 1.00 0.68 O +ATOM 1292 CB GLU A 80 -12.466 4.417 -6.865 1.00 0.32 C +ATOM 1293 CG GLU A 80 -12.076 3.469 -7.995 1.00 0.45 C +ATOM 1294 CD GLU A 80 -13.336 2.876 -8.627 1.00 0.67 C +ATOM 1295 OE1 GLU A 80 -13.927 3.543 -9.460 1.00 1.40 O +ATOM 1296 OE2 GLU A 80 -13.688 1.764 -8.269 1.00 1.30 O +ATOM 0 H GLU A 80 -10.659 6.009 -7.075 1.00 0.28 H new +ATOM 0 HA GLU A 80 -12.979 5.800 -8.326 1.00 0.29 H new +ATOM 0 HB2 GLU A 80 -11.789 4.405 -6.170 1.00 0.32 H new +ATOM 0 HB3 GLU A 80 -13.297 4.127 -6.457 1.00 0.32 H new +ATOM 0 HG2 GLU A 80 -11.561 3.945 -8.665 1.00 0.45 H new +ATOM 0 HG3 GLU A 80 -11.510 2.759 -7.653 1.00 0.45 H new +ATOM 1303 N GLY A 81 -13.098 7.621 -5.858 1.00 0.39 N +ATOM 1304 CA GLY A 81 -13.987 8.421 -4.973 1.00 0.45 C +ATOM 1305 C GLY A 81 -13.572 8.186 -3.522 1.00 0.39 C +ATOM 1306 O GLY A 81 -13.963 8.908 -2.626 1.00 0.45 O +ATOM 0 H GLY A 81 -12.275 7.869 -5.870 1.00 0.39 H new +ATOM 0 HA2 GLY A 81 -13.921 9.363 -5.193 1.00 0.45 H new +ATOM 0 HA3 GLY A 81 -14.913 8.163 -5.104 1.00 0.45 H new +ATOM 1310 N CYS A 82 -12.776 7.179 -3.288 1.00 0.41 N +ATOM 1311 CA CYS A 82 -12.322 6.888 -1.905 1.00 0.38 C +ATOM 1312 C CYS A 82 -11.476 8.057 -1.395 1.00 0.38 C +ATOM 1313 O CYS A 82 -10.977 8.854 -2.164 1.00 0.49 O +ATOM 1314 CB CYS A 82 -11.480 5.614 -1.920 1.00 0.39 C +ATOM 1315 SG CYS A 82 -12.566 4.168 -1.820 1.00 0.63 S +ATOM 0 H CYS A 82 -12.476 6.643 -3.890 1.00 0.41 H new +ATOM 0 HA CYS A 82 -13.088 6.768 -1.322 1.00 0.38 H new +ATOM 0 HB2 CYS A 82 -10.949 5.576 -2.731 1.00 0.39 H new +ATOM 0 HB3 CYS A 82 -10.860 5.616 -1.174 1.00 0.39 H new +ATOM 0 HG CYS A 82 -12.314 3.546 -0.825 1.00 0.63 H new +ATOM 1321 N ASP A 83 -11.316 8.173 -0.105 1.00 0.32 N +ATOM 1322 CA ASP A 83 -10.510 9.298 0.444 1.00 0.37 C +ATOM 1323 C ASP A 83 -9.188 8.769 1.009 1.00 0.36 C +ATOM 1324 O ASP A 83 -8.935 8.844 2.195 1.00 0.57 O +ATOM 1325 CB ASP A 83 -11.305 9.984 1.553 1.00 0.42 C +ATOM 1326 CG ASP A 83 -10.709 11.364 1.834 1.00 0.53 C +ATOM 1327 OD1 ASP A 83 -9.782 11.437 2.624 1.00 1.11 O +ATOM 1328 OD2 ASP A 83 -11.191 12.324 1.255 1.00 1.30 O +ATOM 0 H ASP A 83 -11.647 7.638 0.482 1.00 0.32 H new +ATOM 0 HA ASP A 83 -10.316 9.933 -0.263 1.00 0.37 H new +ATOM 0 HB2 ASP A 83 -12.235 10.071 1.291 1.00 0.42 H new +ATOM 0 HB3 ASP A 83 -11.287 9.444 2.358 1.00 0.42 H new +ATOM 1333 N ILE A 84 -8.339 8.244 0.168 1.00 0.33 N +ATOM 1334 CA ILE A 84 -7.028 7.720 0.652 1.00 0.31 C +ATOM 1335 C ILE A 84 -5.965 8.818 0.503 1.00 0.34 C +ATOM 1336 O ILE A 84 -5.289 8.905 -0.503 1.00 0.67 O +ATOM 1337 CB ILE A 84 -6.622 6.513 -0.191 1.00 0.30 C +ATOM 1338 CG1 ILE A 84 -7.546 5.345 0.117 1.00 0.50 C +ATOM 1339 CG2 ILE A 84 -5.182 6.114 0.131 1.00 0.28 C +ATOM 1340 CD1 ILE A 84 -8.049 4.762 -1.198 1.00 0.34 C +ATOM 0 H ILE A 84 -8.472 8.169 -0.678 1.00 0.33 H new +ATOM 0 HA ILE A 84 -7.104 7.456 1.582 1.00 0.31 H new +ATOM 0 HB ILE A 84 -6.689 6.745 -1.130 1.00 0.30 H new +ATOM 0 HG12 ILE A 84 -7.074 4.668 0.627 1.00 0.50 H new +ATOM 0 HG13 ILE A 84 -8.292 5.641 0.661 1.00 0.50 H new +ATOM 0 HG21 ILE A 84 -4.930 5.347 -0.407 1.00 0.28 H new +ATOM 0 HG22 ILE A 84 -4.589 6.856 -0.066 1.00 0.28 H new +ATOM 0 HG23 ILE A 84 -5.112 5.885 1.071 1.00 0.28 H new +ATOM 0 HD11 ILE A 84 -8.640 4.015 -1.016 1.00 0.34 H new +ATOM 0 HD12 ILE A 84 -8.532 5.444 -1.691 1.00 0.34 H new +ATOM 0 HD13 ILE A 84 -7.295 4.456 -1.726 1.00 0.34 H new +ATOM 1366 N ILE A 86 -3.051 10.211 -0.200 1.00 0.41 N +ATOM 1367 CA ILE A 86 -1.727 9.654 -0.602 1.00 0.40 C +ATOM 1368 C ILE A 86 -0.610 10.583 -0.118 1.00 0.44 C +ATOM 1369 O ILE A 86 -0.489 11.706 -0.564 1.00 0.59 O +ATOM 1370 CB ILE A 86 -1.665 9.540 -2.126 1.00 0.38 C +ATOM 1371 CG1 ILE A 86 -2.821 8.668 -2.620 1.00 0.74 C +ATOM 1372 CG2 ILE A 86 -0.331 8.915 -2.540 1.00 0.93 C +ATOM 1373 CD1 ILE A 86 -2.613 7.223 -2.166 1.00 0.32 C +ATOM 0 HA ILE A 86 -1.613 8.777 -0.204 1.00 0.40 H new +ATOM 0 HB ILE A 86 -1.739 10.423 -2.520 1.00 0.38 H new +ATOM 0 HG12 ILE A 86 -3.662 9.006 -2.275 1.00 0.74 H new +ATOM 0 HG13 ILE A 86 -2.875 8.707 -3.588 1.00 0.74 H new +ATOM 0 HG21 ILE A 86 -0.293 8.843 -3.507 1.00 0.93 H new +ATOM 0 HG22 ILE A 86 0.399 9.473 -2.229 1.00 0.93 H new +ATOM 0 HG23 ILE A 86 -0.252 8.032 -2.147 1.00 0.93 H new +ATOM 0 HD11 ILE A 86 -3.349 6.675 -2.482 1.00 0.32 H new +ATOM 0 HD12 ILE A 86 -1.780 6.886 -2.530 1.00 0.32 H new +ATOM 0 HD13 ILE A 86 -2.579 7.190 -1.197 1.00 0.32 H new +ATOM 1385 N ILE A 87 0.212 10.123 0.786 1.00 0.39 N +ATOM 1386 CA ILE A 87 1.322 10.982 1.287 1.00 0.44 C +ATOM 1387 C ILE A 87 2.659 10.368 0.860 1.00 0.44 C +ATOM 1388 O ILE A 87 3.132 9.413 1.442 1.00 0.55 O +ATOM 1389 CB ILE A 87 1.247 11.073 2.813 1.00 0.46 C +ATOM 1390 CG1 ILE A 87 0.091 11.995 3.208 1.00 0.57 C +ATOM 1391 CG2 ILE A 87 2.556 11.640 3.362 1.00 0.55 C +ATOM 1392 CD1 ILE A 87 -0.237 11.800 4.689 1.00 0.61 C +ATOM 0 H ILE A 87 0.171 9.337 1.134 1.00 0.39 H new +ATOM 0 HA ILE A 87 1.245 11.875 0.915 1.00 0.44 H new +ATOM 0 HB ILE A 87 1.102 10.187 3.181 1.00 0.46 H new +ATOM 0 HG12 ILE A 87 0.330 12.920 3.039 1.00 0.57 H new +ATOM 0 HG13 ILE A 87 -0.690 11.801 2.666 1.00 0.57 H new +ATOM 0 HG21 ILE A 87 2.504 11.696 4.329 1.00 0.55 H new +ATOM 0 HG22 ILE A 87 3.291 11.059 3.111 1.00 0.55 H new +ATOM 0 HG23 ILE A 87 2.705 12.525 2.995 1.00 0.55 H new +ATOM 0 HD11 ILE A 87 -0.970 12.385 4.938 1.00 0.61 H new +ATOM 0 HD12 ILE A 87 -0.493 10.877 4.845 1.00 0.61 H new +ATOM 0 HD13 ILE A 87 0.543 12.014 5.224 1.00 0.61 H new +ATOM 1404 N LEU A 88 3.259 10.902 -0.170 1.00 0.50 N +ATOM 1405 CA LEU A 88 4.552 10.348 -0.662 1.00 0.52 C +ATOM 1406 C LEU A 88 5.728 11.146 -0.093 1.00 0.56 C +ATOM 1407 O LEU A 88 5.984 12.263 -0.495 1.00 0.80 O +ATOM 1408 CB LEU A 88 4.558 10.413 -2.173 1.00 0.59 C +ATOM 1409 CG LEU A 88 3.653 9.297 -2.669 1.00 0.82 C +ATOM 1410 CD1 LEU A 88 2.691 9.851 -3.697 1.00 0.94 C +ATOM 1411 CD2 LEU A 88 4.496 8.193 -3.286 1.00 1.57 C +ATOM 0 H LEU A 88 2.962 11.577 -0.612 1.00 0.50 H new +ATOM 0 HA LEU A 88 4.646 9.428 -0.370 1.00 0.52 H new +ATOM 0 HB2 LEU A 88 4.239 11.276 -2.481 1.00 0.59 H new +ATOM 0 HB3 LEU A 88 5.458 10.304 -2.518 1.00 0.59 H new +ATOM 0 HG LEU A 88 3.149 8.931 -1.925 1.00 0.82 H new +ATOM 0 HD11 LEU A 88 2.112 9.140 -4.015 1.00 0.94 H new +ATOM 0 HD12 LEU A 88 2.153 10.550 -3.293 1.00 0.94 H new +ATOM 0 HD13 LEU A 88 3.190 10.219 -4.443 1.00 0.94 H new +ATOM 0 HD21 LEU A 88 3.917 7.482 -3.602 1.00 1.57 H new +ATOM 0 HD22 LEU A 88 5.004 8.551 -4.031 1.00 1.57 H new +ATOM 0 HD23 LEU A 88 5.106 7.841 -2.619 1.00 1.57 H new +ATOM 1423 N SER A 89 6.445 10.581 0.841 1.00 0.55 N +ATOM 1424 CA SER A 89 7.604 11.308 1.435 1.00 0.62 C +ATOM 1425 C SER A 89 8.908 10.659 0.968 1.00 0.85 C +ATOM 1426 O SER A 89 8.935 9.445 0.852 1.00 1.41 O +ATOM 1427 CB SER A 89 7.520 11.241 2.961 1.00 0.87 C +ATOM 1428 OG SER A 89 7.246 12.538 3.473 1.00 1.64 O +ATOM 1429 OXT SER A 89 9.859 11.388 0.735 1.00 1.52 O +ATOM 0 H SER A 89 6.305 9.794 1.159 1.00 0.55 H new +ATOM 0 HA SER A 89 7.584 12.235 1.150 1.00 0.62 H new +ATOM 0 HB2 SER A 89 6.824 10.622 3.230 1.00 0.87 H new +ATOM 0 HB3 SER A 89 8.354 10.907 3.327 1.00 0.87 H new +ATOM 0 HG SER A 89 7.198 12.504 4.311 1.00 1.64 H new +TER 1435 SER A 89 +END diff --git a/data/1bta_without_H.pdb b/data/1bta_without_H.pdb new file mode 100644 index 0000000..51ee5cf --- /dev/null +++ b/data/1bta_without_H.pdb @@ -0,0 +1,866 @@ +HEADER RIBONUCLEASE INHIBITOR 09-MAY-94 1BTA +TITLE THREE-DIMENSIONAL SOLUTION STRUCTURE AND 13C ASSIGNMENTS OF +TITLE 2 BARSTAR USING NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: BARSTAR; +COMPND 3 CHAIN: A; +COMPND 4 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS AMYLOLIQUEFACIENS; +SOURCE 3 ORGANISM_TAXID: 1390 +KEYWDS RIBONUCLEASE INHIBITOR +EXPDTA SOLUTION NMR +AUTHOR M.J.LUBIENSKI,M.BYCROFT,S.M.V.FREUND,A.R.FERSHT +REVDAT 2 24-FEB-09 1BTA 1 VERSN +REVDAT 1 31-JUL-94 1BTA 0 +JRNL AUTH M.J.LUBIENSKI,M.BYCROFT,S.M.FREUND,A.R.FERSHT +JRNL TITL THREE-DIMENSIONAL SOLUTION STRUCTURE AND 13C +JRNL TITL 2 ASSIGNMENTS OF BARSTAR USING NUCLEAR MAGNETIC +JRNL TITL 3 RESONANCE SPECTROSCOPY. +JRNL REF BIOCHEMISTRY V. 33 8866 1994 +JRNL REFN ISSN 0006-2960 +JRNL PMID 8043574 +JRNL DOI 10.1021/BI00196A003 +REMARK 1 +REMARK 1 REFERENCE 1 +REMARK 1 AUTH R.W.HARTLEY +REMARK 1 TITL BARNASE AND BARSTAR: TWO SMALL PROTEINS TO FOLD +REMARK 1 TITL 2 AND FIT TOGETHER +REMARK 1 REF TRENDS BIOCHEM.SCI. V. 14 450 1989 +REMARK 1 REFN ISSN 0968-0004 +REMARK 2 +REMARK 2 RESOLUTION. NOT APPLICABLE. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : X-PLOR +REMARK 3 AUTHORS : BRUNGER +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: NULL +REMARK 4 +REMARK 4 1BTA COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. +REMARK 210 +REMARK 210 EXPERIMENTAL DETAILS +REMARK 210 EXPERIMENT TYPE : NMR +REMARK 210 TEMPERATURE (KELVIN) : NULL +REMARK 210 PH : NULL +REMARK 210 IONIC STRENGTH : NULL +REMARK 210 PRESSURE : NULL +REMARK 210 SAMPLE CONTENTS : NULL +REMARK 210 +REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL +REMARK 210 SPECTROMETER FIELD STRENGTH : NULL +REMARK 210 SPECTROMETER MODEL : NULL +REMARK 210 SPECTROMETER MANUFACTURER : NULL +REMARK 210 +REMARK 210 STRUCTURE DETERMINATION. +REMARK 210 SOFTWARE USED : NULL +REMARK 210 METHOD USED : NULL +REMARK 210 +REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL +REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 +REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL +REMARK 210 +REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL +REMARK 210 +REMARK 210 REMARK: NULL +REMARK 215 +REMARK 215 NMR STUDY +REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION +REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT +REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON +REMARK 215 THESE RECORDS ARE MEANINGLESS. +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 PRO A 27 -179.66 -57.36 +REMARK 500 TYR A 30 105.85 -38.41 +REMARK 500 GLU A 32 3.60 50.07 +REMARK 500 TRP A 44 -66.63 177.13 +REMARK 500 LEU A 62 -32.03 -33.51 +REMARK 500 GLU A 64 106.99 -12.37 +REMARK 500 ASN A 65 32.13 73.69 +REMARK 500 ASP A 83 65.33 -109.29 +REMARK 500 THR A 85 98.90 -52.92 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: PLANAR GROUPS +REMARK 500 +REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL +REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE +REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN +REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS +REMARK 500 AN RMSD GREATER THAN THIS VALUE +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 M RES CSSEQI RMS TYPE +REMARK 500 ARG A 11 0.17 SIDE_CHAIN +REMARK 500 ARG A 54 0.31 SIDE_CHAIN +REMARK 500 ARG A 75 0.11 SIDE_CHAIN +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: 1BTB RELATED DB: PDB +DBREF 1BTA A 1 89 UNP P11540 BARS_BACAM 1 89 +SEQRES 1 A 89 LYS LYS ALA VAL ILE ASN GLY GLU GLN ILE ARG SER ILE +SEQRES 2 A 89 SER ASP LEU HIS GLN THR LEU LYS LYS GLU LEU ALA LEU +SEQRES 3 A 89 PRO GLU TYR TYR GLY GLU ASN LEU ASP ALA LEU TRP ASP +SEQRES 4 A 89 CYS LEU THR GLY TRP VAL GLU TYR PRO LEU VAL LEU GLU +SEQRES 5 A 89 TRP ARG GLN PHE GLU GLN SER LYS GLN LEU THR GLU ASN +SEQRES 6 A 89 GLY ALA GLU SER VAL LEU GLN VAL PHE ARG GLU ALA LYS +SEQRES 7 A 89 ALA GLU GLY CYS ASP ILE THR ILE ILE LEU SER +HELIX 1 H1 SER A 14 ALA A 25 1 12 +HELIX 2 H2 ASN A 33 GLY A 43 1 11 +HELIX 3 H3 PHE A 56 THR A 63 1 8 +HELIX 4 H4 GLU A 68 GLY A 81 1 14 +SHEET 1 SH1 3 LYS A 1 ASN A 6 0 +SHEET 2 SH1 3 LEU A 49 ARG A 54 1 +SHEET 3 SH1 3 ASP A 83 SER A 89 1 +CISPEP 1 TYR A 47 PRO A 48 0 0.92 +CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 1.000000 0.000000 0.000000 0.00000 +SCALE2 0.000000 1.000000 0.000000 0.00000 +SCALE3 0.000000 0.000000 1.000000 0.00000 +ATOM 1 N LYS A 1 -8.655 5.770 8.371 1.00 1.40 N +ATOM 2 CA LYS A 1 -7.542 5.187 9.163 1.00 0.52 C +ATOM 3 C LYS A 1 -6.210 5.619 8.561 1.00 0.39 C +ATOM 4 O LYS A 1 -6.156 6.468 7.693 1.00 0.33 O +ATOM 5 CB LYS A 1 -7.641 3.666 9.159 1.00 1.53 C +ATOM 6 CG LYS A 1 -7.750 3.179 10.602 1.00 2.38 C +ATOM 7 CD LYS A 1 -9.158 3.466 11.126 1.00 3.11 C +ATOM 8 CE LYS A 1 -9.145 4.744 11.965 1.00 3.58 C +ATOM 9 NZ LYS A 1 -9.497 4.416 13.375 1.00 4.21 N +ATOM 25 N LYS A 2 -5.128 5.066 9.028 1.00 0.51 N +ATOM 26 CA LYS A 2 -3.813 5.485 8.490 1.00 0.44 C +ATOM 27 C LYS A 2 -2.931 4.277 8.172 1.00 0.41 C +ATOM 28 O LYS A 2 -3.040 3.218 8.757 1.00 0.58 O +ATOM 29 CB LYS A 2 -3.138 6.383 9.534 1.00 0.63 C +ATOM 30 CG LYS A 2 -1.624 6.134 9.604 1.00 1.04 C +ATOM 31 CD LYS A 2 -0.967 7.224 10.453 1.00 0.93 C +ATOM 32 CE LYS A 2 0.116 7.929 9.634 1.00 0.63 C +ATOM 33 NZ LYS A 2 1.057 8.630 10.551 1.00 1.43 N +ATOM 47 N ALA A 3 -2.040 4.474 7.250 1.00 0.27 N +ATOM 48 CA ALA A 3 -1.086 3.403 6.848 1.00 0.30 C +ATOM 49 C ALA A 3 0.316 4.013 6.751 1.00 0.30 C +ATOM 50 O ALA A 3 0.469 5.207 6.586 1.00 0.54 O +ATOM 51 CB ALA A 3 -1.491 2.834 5.486 1.00 0.34 C +ATOM 57 N VAL A 4 1.342 3.214 6.860 1.00 0.30 N +ATOM 58 CA VAL A 4 2.725 3.769 6.780 1.00 0.27 C +ATOM 59 C VAL A 4 3.643 2.773 6.074 1.00 0.26 C +ATOM 60 O VAL A 4 3.842 1.667 6.535 1.00 0.33 O +ATOM 61 CB VAL A 4 3.250 4.021 8.194 1.00 0.30 C +ATOM 62 CG1 VAL A 4 4.617 4.709 8.122 1.00 0.35 C +ATOM 63 CG2 VAL A 4 2.262 4.915 8.946 1.00 0.35 C +ATOM 73 N ILE A 5 4.210 3.153 4.961 1.00 0.23 N +ATOM 74 CA ILE A 5 5.117 2.213 4.245 1.00 0.23 C +ATOM 75 C ILE A 5 6.570 2.567 4.552 1.00 0.25 C +ATOM 76 O ILE A 5 7.176 3.388 3.893 1.00 0.27 O +ATOM 77 CB ILE A 5 4.879 2.300 2.742 1.00 0.23 C +ATOM 78 CG1 ILE A 5 3.360 2.231 2.478 1.00 0.23 C +ATOM 79 CG2 ILE A 5 5.620 1.142 2.061 1.00 0.24 C +ATOM 80 CD1 ILE A 5 3.034 1.246 1.346 1.00 0.22 C +ATOM 92 N ASN A 6 7.134 1.947 5.547 1.00 0.27 N +ATOM 93 CA ASN A 6 8.545 2.232 5.905 1.00 0.31 C +ATOM 94 C ASN A 6 9.466 1.399 5.009 1.00 0.31 C +ATOM 95 O ASN A 6 9.611 0.207 5.189 1.00 0.35 O +ATOM 96 CB ASN A 6 8.759 1.859 7.370 1.00 0.37 C +ATOM 97 CG ASN A 6 8.067 2.890 8.264 1.00 0.65 C +ATOM 98 OD1 ASN A 6 7.534 3.869 7.782 1.00 1.48 O +ATOM 99 ND2 ASN A 6 8.054 2.711 9.557 1.00 1.13 N +ATOM 106 N GLY A 7 10.078 2.017 4.035 1.00 0.33 N +ATOM 107 CA GLY A 7 10.976 1.261 3.114 1.00 0.36 C +ATOM 108 C GLY A 7 12.182 0.718 3.879 1.00 0.35 C +ATOM 109 O GLY A 7 12.583 -0.414 3.694 1.00 0.46 O +ATOM 113 N GLU A 8 12.767 1.509 4.735 1.00 0.38 N +ATOM 114 CA GLU A 8 13.946 1.022 5.505 1.00 0.43 C +ATOM 115 C GLU A 8 13.659 -0.390 6.019 1.00 0.39 C +ATOM 116 O GLU A 8 14.559 -1.170 6.260 1.00 0.45 O +ATOM 117 CB GLU A 8 14.207 1.950 6.696 1.00 0.53 C +ATOM 118 CG GLU A 8 14.064 3.409 6.256 1.00 1.39 C +ATOM 119 CD GLU A 8 14.660 4.324 7.328 1.00 1.74 C +ATOM 120 OE1 GLU A 8 14.225 4.232 8.464 1.00 2.30 O +ATOM 121 OE2 GLU A 8 15.540 5.100 6.994 1.00 2.19 O +ATOM 128 N GLN A 9 12.408 -0.720 6.195 1.00 0.35 N +ATOM 129 CA GLN A 9 12.051 -2.069 6.699 1.00 0.38 C +ATOM 130 C GLN A 9 11.745 -3.001 5.523 1.00 0.35 C +ATOM 131 O GLN A 9 12.213 -4.121 5.468 1.00 0.40 O +ATOM 132 CB GLN A 9 10.811 -1.937 7.578 1.00 0.43 C +ATOM 133 CG GLN A 9 11.027 -0.819 8.600 1.00 0.50 C +ATOM 134 CD GLN A 9 11.790 -1.365 9.805 1.00 1.06 C +ATOM 135 OE1 GLN A 9 12.979 -1.155 9.931 1.00 1.97 O +ATOM 136 NE2 GLN A 9 11.151 -2.059 10.705 1.00 1.49 N +ATOM 145 N ILE A 10 10.952 -2.550 4.591 1.00 0.32 N +ATOM 146 CA ILE A 10 10.597 -3.408 3.424 1.00 0.34 C +ATOM 147 C ILE A 10 11.825 -4.171 2.934 1.00 0.31 C +ATOM 148 O ILE A 10 12.893 -3.617 2.765 1.00 0.35 O +ATOM 149 CB ILE A 10 10.059 -2.546 2.281 1.00 0.37 C +ATOM 150 CG1 ILE A 10 8.683 -2.005 2.655 1.00 0.51 C +ATOM 151 CG2 ILE A 10 9.933 -3.402 1.018 1.00 0.35 C +ATOM 152 CD1 ILE A 10 7.689 -3.158 2.715 1.00 0.78 C +ATOM 164 N ARG A 11 11.668 -5.440 2.692 1.00 0.33 N +ATOM 165 CA ARG A 11 12.794 -6.261 2.200 1.00 0.37 C +ATOM 166 C ARG A 11 12.423 -6.834 0.830 1.00 0.39 C +ATOM 167 O ARG A 11 13.251 -7.368 0.120 1.00 0.48 O +ATOM 168 CB ARG A 11 13.035 -7.400 3.184 1.00 0.50 C +ATOM 169 CG ARG A 11 13.677 -6.844 4.458 1.00 0.57 C +ATOM 170 CD ARG A 11 15.105 -7.376 4.589 1.00 1.27 C +ATOM 171 NE ARG A 11 15.489 -7.404 6.030 1.00 1.87 N +ATOM 172 CZ ARG A 11 16.544 -8.065 6.417 1.00 2.53 C +ATOM 173 NH1 ARG A 11 16.881 -9.170 5.815 1.00 3.26 N +ATOM 174 NH2 ARG A 11 17.261 -7.620 7.412 1.00 2.99 N +ATOM 188 N SER A 12 11.174 -6.725 0.458 1.00 0.37 N +ATOM 189 CA SER A 12 10.732 -7.258 -0.860 1.00 0.45 C +ATOM 190 C SER A 12 9.270 -6.869 -1.096 1.00 0.42 C +ATOM 191 O SER A 12 8.619 -6.289 -0.242 1.00 0.37 O +ATOM 192 CB SER A 12 10.862 -8.781 -0.865 1.00 0.56 C +ATOM 193 OG SER A 12 11.282 -9.221 0.419 1.00 1.44 O +ATOM 199 N ILE A 13 8.741 -7.185 -2.245 1.00 0.47 N +ATOM 200 CA ILE A 13 7.324 -6.831 -2.520 1.00 0.46 C +ATOM 201 C ILE A 13 6.445 -7.446 -1.435 1.00 0.41 C +ATOM 202 O ILE A 13 5.579 -6.799 -0.887 1.00 0.36 O +ATOM 203 CB ILE A 13 6.908 -7.370 -3.892 1.00 0.56 C +ATOM 204 CG1 ILE A 13 5.570 -6.749 -4.313 1.00 0.63 C +ATOM 205 CG2 ILE A 13 6.753 -8.888 -3.812 1.00 0.64 C +ATOM 206 CD1 ILE A 13 5.564 -5.246 -4.010 1.00 0.57 C +ATOM 218 N SER A 14 6.669 -8.690 -1.109 1.00 0.46 N +ATOM 219 CA SER A 14 5.851 -9.332 -0.047 1.00 0.44 C +ATOM 220 C SER A 14 5.859 -8.424 1.179 1.00 0.37 C +ATOM 221 O SER A 14 4.837 -8.162 1.781 1.00 0.35 O +ATOM 222 CB SER A 14 6.453 -10.689 0.312 1.00 0.50 C +ATOM 223 OG SER A 14 5.481 -11.469 0.996 1.00 1.07 O +ATOM 229 N ASP A 15 7.009 -7.928 1.541 1.00 0.34 N +ATOM 230 CA ASP A 15 7.097 -7.021 2.709 1.00 0.30 C +ATOM 231 C ASP A 15 6.187 -5.819 2.475 1.00 0.24 C +ATOM 232 O ASP A 15 5.470 -5.386 3.353 1.00 0.23 O +ATOM 233 CB ASP A 15 8.536 -6.538 2.871 1.00 0.30 C +ATOM 234 CG ASP A 15 9.056 -6.939 4.254 1.00 0.33 C +ATOM 235 OD1 ASP A 15 8.483 -7.843 4.840 1.00 1.17 O +ATOM 236 OD2 ASP A 15 10.015 -6.335 4.705 1.00 1.08 O +ATOM 241 N LEU A 16 6.211 -5.283 1.288 1.00 0.25 N +ATOM 242 CA LEU A 16 5.347 -4.111 0.980 1.00 0.23 C +ATOM 243 C LEU A 16 3.898 -4.464 1.298 1.00 0.22 C +ATOM 244 O LEU A 16 3.233 -3.804 2.073 1.00 0.21 O +ATOM 245 CB LEU A 16 5.470 -3.779 -0.505 1.00 0.28 C +ATOM 246 CG LEU A 16 4.802 -2.436 -0.784 1.00 0.31 C +ATOM 247 CD1 LEU A 16 5.341 -1.386 0.188 1.00 0.31 C +ATOM 248 CD2 LEU A 16 5.110 -2.013 -2.219 1.00 0.39 C +ATOM 260 N HIS A 17 3.413 -5.509 0.701 1.00 0.22 N +ATOM 261 CA HIS A 17 2.018 -5.941 0.944 1.00 0.22 C +ATOM 262 C HIS A 17 1.874 -6.363 2.405 1.00 0.19 C +ATOM 263 O HIS A 17 0.786 -6.432 2.941 1.00 0.19 O +ATOM 264 CB HIS A 17 1.715 -7.120 0.024 1.00 0.26 C +ATOM 265 CG HIS A 17 1.994 -6.716 -1.397 1.00 0.32 C +ATOM 266 ND1 HIS A 17 1.294 -5.699 -2.026 1.00 0.38 N +ATOM 267 CD2 HIS A 17 2.895 -7.181 -2.324 1.00 0.40 C +ATOM 268 CE1 HIS A 17 1.779 -5.586 -3.276 1.00 0.44 C +ATOM 269 NE2 HIS A 17 2.756 -6.465 -3.510 1.00 0.45 N +ATOM 277 N GLN A 18 2.969 -6.639 3.055 1.00 0.19 N +ATOM 278 CA GLN A 18 2.905 -7.047 4.475 1.00 0.19 C +ATOM 279 C GLN A 18 2.501 -5.844 5.322 1.00 0.17 C +ATOM 280 O GLN A 18 1.541 -5.888 6.067 1.00 0.18 O +ATOM 281 CB GLN A 18 4.275 -7.553 4.927 1.00 0.21 C +ATOM 282 CG GLN A 18 4.092 -8.654 5.975 1.00 0.55 C +ATOM 283 CD GLN A 18 5.461 -9.139 6.452 1.00 1.31 C +ATOM 284 OE1 GLN A 18 6.390 -8.363 6.557 1.00 2.11 O +ATOM 285 NE2 GLN A 18 5.626 -10.399 6.749 1.00 2.02 N +ATOM 294 N THR A 19 3.229 -4.764 5.217 1.00 0.17 N +ATOM 295 CA THR A 19 2.882 -3.573 6.019 1.00 0.17 C +ATOM 296 C THR A 19 1.519 -3.063 5.542 1.00 0.17 C +ATOM 297 O THR A 19 0.682 -2.691 6.328 1.00 0.18 O +ATOM 298 CB THR A 19 3.976 -2.492 5.860 1.00 0.20 C +ATOM 299 OG1 THR A 19 4.593 -2.276 7.121 1.00 0.22 O +ATOM 300 CG2 THR A 19 3.371 -1.165 5.396 1.00 0.21 C +ATOM 308 N LEU A 20 1.286 -3.056 4.258 1.00 0.16 N +ATOM 309 CA LEU A 20 -0.022 -2.590 3.751 1.00 0.18 C +ATOM 310 C LEU A 20 -1.104 -3.472 4.365 1.00 0.17 C +ATOM 311 O LEU A 20 -2.183 -3.040 4.683 1.00 0.24 O +ATOM 312 CB LEU A 20 -0.050 -2.738 2.232 1.00 0.19 C +ATOM 313 CG LEU A 20 0.878 -1.705 1.588 1.00 0.20 C +ATOM 314 CD1 LEU A 20 0.822 -1.851 0.068 1.00 0.23 C +ATOM 315 CD2 LEU A 20 0.434 -0.292 1.981 1.00 0.21 C +ATOM 327 N LYS A 21 -0.794 -4.716 4.530 1.00 0.16 N +ATOM 328 CA LYS A 21 -1.760 -5.680 5.122 1.00 0.16 C +ATOM 329 C LYS A 21 -2.011 -5.324 6.586 1.00 0.17 C +ATOM 330 O LYS A 21 -3.123 -5.365 7.059 1.00 0.19 O +ATOM 331 CB LYS A 21 -1.173 -7.088 5.035 1.00 0.17 C +ATOM 332 CG LYS A 21 -2.174 -8.100 5.593 1.00 0.29 C +ATOM 333 CD LYS A 21 -1.414 -9.229 6.292 1.00 0.68 C +ATOM 334 CE LYS A 21 -2.407 -10.255 6.837 1.00 1.26 C +ATOM 335 NZ LYS A 21 -1.733 -11.101 7.860 1.00 1.94 N +ATOM 349 N LYS A 22 -0.991 -4.980 7.317 1.00 0.18 N +ATOM 350 CA LYS A 22 -1.204 -4.631 8.741 1.00 0.20 C +ATOM 351 C LYS A 22 -2.006 -3.335 8.817 1.00 0.23 C +ATOM 352 O LYS A 22 -3.074 -3.277 9.390 1.00 0.29 O +ATOM 353 CB LYS A 22 0.142 -4.442 9.432 1.00 0.22 C +ATOM 354 CG LYS A 22 0.148 -5.278 10.717 1.00 0.83 C +ATOM 355 CD LYS A 22 1.553 -5.339 11.302 1.00 1.43 C +ATOM 356 CE LYS A 22 1.494 -6.033 12.671 1.00 2.18 C +ATOM 357 NZ LYS A 22 2.827 -6.602 13.001 1.00 2.84 N +ATOM 371 N GLU A 23 -1.495 -2.303 8.219 1.00 0.22 N +ATOM 372 CA GLU A 23 -2.195 -1.004 8.212 1.00 0.26 C +ATOM 373 C GLU A 23 -3.621 -1.224 7.716 1.00 0.24 C +ATOM 374 O GLU A 23 -4.587 -1.066 8.436 1.00 0.27 O +ATOM 375 CB GLU A 23 -1.450 -0.080 7.250 1.00 0.29 C +ATOM 376 CG GLU A 23 -0.006 0.098 7.725 1.00 0.35 C +ATOM 377 CD GLU A 23 0.032 1.057 8.914 1.00 1.53 C +ATOM 378 OE1 GLU A 23 -1.026 1.364 9.438 1.00 2.29 O +ATOM 379 OE2 GLU A 23 1.120 1.471 9.280 1.00 2.27 O +ATOM 386 N LEU A 24 -3.737 -1.599 6.480 1.00 0.23 N +ATOM 387 CA LEU A 24 -5.066 -1.859 5.871 1.00 0.23 C +ATOM 388 C LEU A 24 -5.767 -2.996 6.618 1.00 0.22 C +ATOM 389 O LEU A 24 -6.953 -3.209 6.467 1.00 0.24 O +ATOM 390 CB LEU A 24 -4.848 -2.277 4.418 1.00 0.21 C +ATOM 391 CG LEU A 24 -4.150 -1.150 3.658 1.00 0.25 C +ATOM 392 CD1 LEU A 24 -3.120 -1.750 2.701 1.00 0.20 C +ATOM 393 CD2 LEU A 24 -5.184 -0.352 2.862 1.00 0.40 C +ATOM 405 N ALA A 25 -5.043 -3.736 7.416 1.00 0.21 N +ATOM 406 CA ALA A 25 -5.667 -4.860 8.158 1.00 0.22 C +ATOM 407 C ALA A 25 -6.369 -5.796 7.170 1.00 0.21 C +ATOM 408 O ALA A 25 -7.501 -6.191 7.366 1.00 0.23 O +ATOM 409 CB ALA A 25 -6.670 -4.292 9.152 1.00 0.26 C +ATOM 415 N LEU A 26 -5.693 -6.152 6.112 1.00 0.21 N +ATOM 416 CA LEU A 26 -6.293 -7.062 5.095 1.00 0.24 C +ATOM 417 C LEU A 26 -6.438 -8.468 5.690 1.00 0.28 C +ATOM 418 O LEU A 26 -5.795 -8.792 6.669 1.00 0.30 O +ATOM 419 CB LEU A 26 -5.371 -7.117 3.872 1.00 0.23 C +ATOM 420 CG LEU A 26 -4.954 -5.697 3.483 1.00 0.21 C +ATOM 421 CD1 LEU A 26 -3.954 -5.751 2.337 1.00 0.26 C +ATOM 422 CD2 LEU A 26 -6.187 -4.909 3.043 1.00 0.23 C +ATOM 434 N PRO A 27 -7.280 -9.262 5.077 1.00 0.34 N +ATOM 435 CA PRO A 27 -7.526 -10.643 5.529 1.00 0.41 C +ATOM 436 C PRO A 27 -6.221 -11.438 5.555 1.00 0.39 C +ATOM 437 O PRO A 27 -5.165 -10.932 5.233 1.00 0.31 O +ATOM 438 CB PRO A 27 -8.489 -11.230 4.490 1.00 0.48 C +ATOM 439 CG PRO A 27 -8.880 -10.091 3.514 1.00 0.48 C +ATOM 440 CD PRO A 27 -8.054 -8.852 3.890 1.00 0.38 C +ATOM 448 N GLU A 28 -6.289 -12.685 5.931 1.00 0.50 N +ATOM 449 CA GLU A 28 -5.058 -13.519 5.972 1.00 0.53 C +ATOM 450 C GLU A 28 -4.729 -13.997 4.558 1.00 0.49 C +ATOM 451 O GLU A 28 -3.622 -14.407 4.273 1.00 0.51 O +ATOM 452 CB GLU A 28 -5.295 -14.732 6.871 1.00 0.67 C +ATOM 453 CG GLU A 28 -5.557 -14.268 8.305 1.00 1.14 C +ATOM 454 CD GLU A 28 -5.237 -15.405 9.276 1.00 1.65 C +ATOM 455 OE1 GLU A 28 -4.380 -16.210 8.953 1.00 2.31 O +ATOM 456 OE2 GLU A 28 -5.856 -15.452 10.327 1.00 2.20 O +ATOM 463 N TYR A 29 -5.686 -13.952 3.671 1.00 0.47 N +ATOM 464 CA TYR A 29 -5.426 -14.409 2.279 1.00 0.44 C +ATOM 465 C TYR A 29 -5.020 -13.218 1.409 1.00 0.37 C +ATOM 466 O TYR A 29 -4.999 -13.312 0.198 1.00 0.38 O +ATOM 467 CB TYR A 29 -6.686 -15.061 1.704 1.00 0.51 C +ATOM 468 CG TYR A 29 -7.900 -14.250 2.087 1.00 0.66 C +ATOM 469 CD1 TYR A 29 -8.300 -13.171 1.290 1.00 1.29 C +ATOM 470 CD2 TYR A 29 -8.627 -14.579 3.237 1.00 1.53 C +ATOM 471 CE1 TYR A 29 -9.428 -12.421 1.643 1.00 1.43 C +ATOM 472 CE2 TYR A 29 -9.756 -13.829 3.590 1.00 1.75 C +ATOM 473 CZ TYR A 29 -10.156 -12.750 2.793 1.00 1.24 C +ATOM 474 OH TYR A 29 -11.268 -12.011 3.140 1.00 1.57 O +ATOM 484 N TYR A 30 -4.694 -12.103 2.017 1.00 0.32 N +ATOM 485 CA TYR A 30 -4.275 -10.903 1.222 1.00 0.28 C +ATOM 486 C TYR A 30 -3.419 -11.366 0.035 1.00 0.32 C +ATOM 487 O TYR A 30 -2.281 -11.759 0.193 1.00 0.38 O +ATOM 488 CB TYR A 30 -3.462 -9.958 2.121 1.00 0.29 C +ATOM 489 CG TYR A 30 -3.006 -8.741 1.339 1.00 0.20 C +ATOM 490 CD1 TYR A 30 -3.750 -8.286 0.243 1.00 0.47 C +ATOM 491 CD2 TYR A 30 -1.832 -8.068 1.715 1.00 0.48 C +ATOM 492 CE1 TYR A 30 -3.319 -7.163 -0.477 1.00 0.49 C +ATOM 493 CE2 TYR A 30 -1.400 -6.943 0.995 1.00 0.49 C +ATOM 494 CZ TYR A 30 -2.145 -6.493 -0.102 1.00 0.25 C +ATOM 495 OH TYR A 30 -1.724 -5.388 -0.814 1.00 0.36 O +ATOM 505 N GLY A 31 -3.974 -11.339 -1.151 1.00 0.39 N +ATOM 506 CA GLY A 31 -3.215 -11.796 -2.357 1.00 0.51 C +ATOM 507 C GLY A 31 -2.004 -10.892 -2.611 1.00 0.58 C +ATOM 508 O GLY A 31 -1.214 -11.146 -3.495 1.00 1.36 O +ATOM 512 N GLU A 32 -1.870 -9.835 -1.853 1.00 0.56 N +ATOM 513 CA GLU A 32 -0.726 -8.877 -2.011 1.00 0.54 C +ATOM 514 C GLU A 32 -0.533 -8.420 -3.470 1.00 0.54 C +ATOM 515 O GLU A 32 0.377 -7.671 -3.760 1.00 0.59 O +ATOM 516 CB GLU A 32 0.582 -9.491 -1.474 1.00 0.66 C +ATOM 517 CG GLU A 32 0.741 -10.947 -1.915 1.00 1.51 C +ATOM 518 CD GLU A 32 2.052 -11.506 -1.358 1.00 1.87 C +ATOM 519 OE1 GLU A 32 3.044 -10.799 -1.410 1.00 2.36 O +ATOM 520 OE2 GLU A 32 2.040 -12.632 -0.890 1.00 2.37 O +ATOM 527 N ASN A 33 -1.373 -8.817 -4.389 1.00 0.51 N +ATOM 528 CA ASN A 33 -1.203 -8.335 -5.792 1.00 0.53 C +ATOM 529 C ASN A 33 -1.891 -6.977 -5.927 1.00 0.50 C +ATOM 530 O ASN A 33 -2.423 -6.444 -4.974 1.00 0.56 O +ATOM 531 CB ASN A 33 -1.811 -9.321 -6.806 1.00 0.54 C +ATOM 532 CG ASN A 33 -2.420 -10.533 -6.096 1.00 0.62 C +ATOM 533 OD1 ASN A 33 -1.721 -11.465 -5.752 1.00 1.57 O +ATOM 534 ND2 ASN A 33 -3.703 -10.559 -5.864 1.00 0.82 N +ATOM 541 N LEU A 34 -1.918 -6.429 -7.107 1.00 0.48 N +ATOM 542 CA LEU A 34 -2.609 -5.125 -7.305 1.00 0.47 C +ATOM 543 C LEU A 34 -4.108 -5.392 -7.331 1.00 0.40 C +ATOM 544 O LEU A 34 -4.911 -4.621 -6.852 1.00 0.37 O +ATOM 545 CB LEU A 34 -2.204 -4.539 -8.650 1.00 0.55 C +ATOM 546 CG LEU A 34 -0.749 -4.072 -8.606 1.00 0.64 C +ATOM 547 CD1 LEU A 34 -0.358 -3.503 -9.971 1.00 0.82 C +ATOM 548 CD2 LEU A 34 -0.590 -2.986 -7.539 1.00 0.61 C +ATOM 560 N ASP A 35 -4.469 -6.494 -7.911 1.00 0.39 N +ATOM 561 CA ASP A 35 -5.897 -6.886 -8.018 1.00 0.36 C +ATOM 562 C ASP A 35 -6.467 -7.173 -6.632 1.00 0.30 C +ATOM 563 O ASP A 35 -7.614 -6.894 -6.351 1.00 0.28 O +ATOM 564 CB ASP A 35 -5.975 -8.167 -8.833 1.00 0.38 C +ATOM 565 CG ASP A 35 -5.683 -7.865 -10.303 1.00 0.43 C +ATOM 566 OD1 ASP A 35 -6.344 -7.000 -10.853 1.00 1.24 O +ATOM 567 OD2 ASP A 35 -4.803 -8.506 -10.856 1.00 1.06 O +ATOM 572 N ALA A 36 -5.676 -7.742 -5.769 1.00 0.29 N +ATOM 573 CA ALA A 36 -6.180 -8.058 -4.401 1.00 0.25 C +ATOM 574 C ALA A 36 -6.124 -6.799 -3.563 1.00 0.22 C +ATOM 575 O ALA A 36 -7.111 -6.353 -3.016 1.00 0.22 O +ATOM 576 CB ALA A 36 -5.310 -9.125 -3.749 1.00 0.29 C +ATOM 582 N LEU A 37 -4.967 -6.217 -3.477 1.00 0.21 N +ATOM 583 CA LEU A 37 -4.820 -4.966 -2.697 1.00 0.19 C +ATOM 584 C LEU A 37 -5.987 -4.058 -3.064 1.00 0.16 C +ATOM 585 O LEU A 37 -6.706 -3.539 -2.224 1.00 0.16 O +ATOM 586 CB LEU A 37 -3.502 -4.299 -3.095 1.00 0.21 C +ATOM 587 CG LEU A 37 -3.539 -2.815 -2.724 1.00 0.20 C +ATOM 588 CD1 LEU A 37 -3.557 -2.667 -1.201 1.00 0.22 C +ATOM 589 CD2 LEU A 37 -2.302 -2.115 -3.290 1.00 0.24 C +ATOM 601 N TRP A 38 -6.173 -3.884 -4.333 1.00 0.17 N +ATOM 602 CA TRP A 38 -7.277 -3.046 -4.821 1.00 0.16 C +ATOM 603 C TRP A 38 -8.577 -3.613 -4.303 1.00 0.16 C +ATOM 604 O TRP A 38 -9.345 -2.951 -3.643 1.00 0.16 O +ATOM 605 CB TRP A 38 -7.315 -3.093 -6.341 1.00 0.18 C +ATOM 606 CG TRP A 38 -8.456 -2.267 -6.801 1.00 0.18 C +ATOM 607 CD1 TRP A 38 -9.708 -2.718 -6.963 1.00 0.21 C +ATOM 608 CD2 TRP A 38 -8.476 -0.860 -7.128 1.00 0.18 C +ATOM 609 NE1 TRP A 38 -10.508 -1.672 -7.389 1.00 0.23 N +ATOM 610 CE2 TRP A 38 -9.785 -0.502 -7.508 1.00 0.20 C +ATOM 611 CE3 TRP A 38 -7.487 0.125 -7.138 1.00 0.17 C +ATOM 612 CZ2 TRP A 38 -10.099 0.802 -7.885 1.00 0.22 C +ATOM 613 CZ3 TRP A 38 -7.785 1.430 -7.507 1.00 0.19 C +ATOM 614 CH2 TRP A 38 -9.093 1.778 -7.885 1.00 0.20 C +ATOM 625 N ASP A 39 -8.815 -4.850 -4.599 1.00 0.17 N +ATOM 626 CA ASP A 39 -10.061 -5.500 -4.130 1.00 0.18 C +ATOM 627 C ASP A 39 -10.283 -5.117 -2.672 1.00 0.18 C +ATOM 628 O ASP A 39 -11.394 -5.091 -2.182 1.00 0.21 O +ATOM 629 CB ASP A 39 -9.927 -7.017 -4.254 1.00 0.21 C +ATOM 630 CG ASP A 39 -10.613 -7.488 -5.537 1.00 0.29 C +ATOM 631 OD1 ASP A 39 -10.045 -7.286 -6.598 1.00 1.13 O +ATOM 632 OD2 ASP A 39 -11.695 -8.044 -5.438 1.00 1.06 O +ATOM 637 N CYS A 40 -9.222 -4.807 -1.977 1.00 0.17 N +ATOM 638 CA CYS A 40 -9.354 -4.412 -0.556 1.00 0.19 C +ATOM 639 C CYS A 40 -9.797 -2.948 -0.466 1.00 0.19 C +ATOM 640 O CYS A 40 -10.745 -2.623 0.218 1.00 0.23 O +ATOM 641 CB CYS A 40 -8.001 -4.580 0.132 1.00 0.21 C +ATOM 642 SG CYS A 40 -7.334 -6.221 -0.239 1.00 0.58 S +ATOM 648 N LEU A 41 -9.117 -2.057 -1.142 1.00 0.17 N +ATOM 649 CA LEU A 41 -9.497 -0.625 -1.076 1.00 0.18 C +ATOM 650 C LEU A 41 -10.943 -0.424 -1.548 1.00 0.21 C +ATOM 651 O LEU A 41 -11.729 0.247 -0.908 1.00 0.45 O +ATOM 652 CB LEU A 41 -8.562 0.173 -1.981 1.00 0.17 C +ATOM 653 CG LEU A 41 -7.117 -0.285 -1.776 1.00 0.19 C +ATOM 654 CD1 LEU A 41 -6.189 0.625 -2.567 1.00 0.18 C +ATOM 655 CD2 LEU A 41 -6.760 -0.219 -0.289 1.00 0.31 C +ATOM 667 N THR A 42 -11.284 -0.971 -2.679 1.00 0.26 N +ATOM 668 CA THR A 42 -12.650 -0.794 -3.226 1.00 0.28 C +ATOM 669 C THR A 42 -13.665 -1.664 -2.479 1.00 0.32 C +ATOM 670 O THR A 42 -14.826 -1.704 -2.836 1.00 0.55 O +ATOM 671 CB THR A 42 -12.649 -1.174 -4.708 1.00 0.26 C +ATOM 672 OG1 THR A 42 -11.870 -2.347 -4.894 1.00 0.29 O +ATOM 673 CG2 THR A 42 -12.054 -0.026 -5.525 1.00 0.40 C +ATOM 681 N GLY A 43 -13.262 -2.363 -1.452 1.00 0.27 N +ATOM 682 CA GLY A 43 -14.258 -3.210 -0.729 1.00 0.31 C +ATOM 683 C GLY A 43 -13.627 -3.900 0.484 1.00 0.27 C +ATOM 684 O GLY A 43 -13.610 -5.112 0.574 1.00 0.32 O +ATOM 688 N TRP A 44 -13.125 -3.148 1.425 1.00 0.25 N +ATOM 689 CA TRP A 44 -12.519 -3.775 2.630 1.00 0.23 C +ATOM 690 C TRP A 44 -11.944 -2.689 3.540 1.00 0.23 C +ATOM 691 O TRP A 44 -12.415 -2.466 4.637 1.00 0.27 O +ATOM 692 CB TRP A 44 -11.402 -4.721 2.201 1.00 0.24 C +ATOM 693 CG TRP A 44 -10.808 -5.362 3.411 1.00 0.26 C +ATOM 694 CD1 TRP A 44 -9.735 -4.894 4.085 1.00 0.27 C +ATOM 695 CD2 TRP A 44 -11.233 -6.571 4.106 1.00 0.30 C +ATOM 696 NE1 TRP A 44 -9.470 -5.739 5.146 1.00 0.31 N +ATOM 697 CE2 TRP A 44 -10.366 -6.788 5.202 1.00 0.34 C +ATOM 698 CE3 TRP A 44 -12.274 -7.493 3.891 1.00 0.35 C +ATOM 699 CZ2 TRP A 44 -10.527 -7.879 6.058 1.00 0.41 C +ATOM 700 CZ3 TRP A 44 -12.439 -8.592 4.750 1.00 0.43 C +ATOM 701 CH2 TRP A 44 -11.567 -8.785 5.831 1.00 0.45 C +ATOM 712 N VAL A 45 -10.925 -2.016 3.089 1.00 0.25 N +ATOM 713 CA VAL A 45 -10.304 -0.949 3.912 1.00 0.26 C +ATOM 714 C VAL A 45 -11.350 0.112 4.253 1.00 0.25 C +ATOM 715 O VAL A 45 -12.264 0.362 3.493 1.00 0.37 O +ATOM 716 CB VAL A 45 -9.165 -0.300 3.125 1.00 0.30 C +ATOM 717 CG1 VAL A 45 -8.436 0.706 4.017 1.00 0.42 C +ATOM 718 CG2 VAL A 45 -8.181 -1.377 2.661 1.00 0.28 C +ATOM 728 N GLU A 46 -11.215 0.751 5.382 1.00 0.21 N +ATOM 729 CA GLU A 46 -12.197 1.808 5.755 1.00 0.23 C +ATOM 730 C GLU A 46 -11.566 3.177 5.505 1.00 0.22 C +ATOM 731 O GLU A 46 -10.440 3.435 5.880 1.00 0.22 O +ATOM 732 CB GLU A 46 -12.600 1.688 7.231 1.00 0.30 C +ATOM 733 CG GLU A 46 -11.576 0.848 7.993 1.00 1.31 C +ATOM 734 CD GLU A 46 -12.107 0.545 9.395 1.00 1.80 C +ATOM 735 OE1 GLU A 46 -13.089 -0.173 9.493 1.00 2.43 O +ATOM 736 OE2 GLU A 46 -11.524 1.036 10.347 1.00 2.28 O +ATOM 743 N TYR A 47 -12.285 4.047 4.861 1.00 0.22 N +ATOM 744 CA TYR A 47 -11.744 5.402 4.559 1.00 0.22 C +ATOM 745 C TYR A 47 -12.564 6.446 5.329 1.00 0.26 C +ATOM 746 O TYR A 47 -13.586 6.110 5.892 1.00 0.29 O +ATOM 747 CB TYR A 47 -11.851 5.623 3.045 1.00 0.24 C +ATOM 748 CG TYR A 47 -10.868 4.720 2.323 1.00 0.24 C +ATOM 749 CD1 TYR A 47 -9.830 4.081 3.021 1.00 1.25 C +ATOM 750 CD2 TYR A 47 -10.994 4.520 0.945 1.00 1.21 C +ATOM 751 CE1 TYR A 47 -8.935 3.251 2.342 1.00 1.27 C +ATOM 752 CE2 TYR A 47 -10.094 3.692 0.272 1.00 1.20 C +ATOM 753 CZ TYR A 47 -9.067 3.058 0.970 1.00 0.29 C +ATOM 754 OH TYR A 47 -8.181 2.239 0.301 1.00 0.34 O +ATOM 764 N PRO A 48 -12.102 7.682 5.359 1.00 0.27 N +ATOM 765 CA PRO A 48 -10.858 8.134 4.685 1.00 0.25 C +ATOM 766 C PRO A 48 -9.620 7.409 5.219 1.00 0.22 C +ATOM 767 O PRO A 48 -9.455 7.234 6.406 1.00 0.30 O +ATOM 768 CB PRO A 48 -10.761 9.631 5.010 1.00 0.28 C +ATOM 769 CG PRO A 48 -11.970 10.004 5.902 1.00 0.33 C +ATOM 770 CD PRO A 48 -12.815 8.738 6.097 1.00 0.32 C +ATOM 778 N LEU A 49 -8.744 7.000 4.338 1.00 0.20 N +ATOM 779 CA LEU A 49 -7.502 6.298 4.775 1.00 0.19 C +ATOM 780 C LEU A 49 -6.301 7.182 4.462 1.00 0.19 C +ATOM 781 O LEU A 49 -6.335 7.998 3.567 1.00 0.20 O +ATOM 782 CB LEU A 49 -7.362 4.977 3.994 1.00 0.18 C +ATOM 783 CG LEU A 49 -5.885 4.560 3.861 1.00 0.17 C +ATOM 784 CD1 LEU A 49 -5.350 4.066 5.209 1.00 0.20 C +ATOM 785 CD2 LEU A 49 -5.759 3.447 2.816 1.00 0.16 C +ATOM 797 N VAL A 50 -5.222 6.985 5.157 1.00 0.21 N +ATOM 798 CA VAL A 50 -4.003 7.770 4.857 1.00 0.22 C +ATOM 799 C VAL A 50 -2.919 6.786 4.408 1.00 0.20 C +ATOM 800 O VAL A 50 -2.748 5.736 4.987 1.00 0.21 O +ATOM 801 CB VAL A 50 -3.555 8.555 6.114 1.00 0.26 C +ATOM 802 CG1 VAL A 50 -2.135 8.158 6.542 1.00 0.26 C +ATOM 803 CG2 VAL A 50 -3.567 10.051 5.802 1.00 0.29 C +ATOM 813 N LEU A 51 -2.167 7.122 3.409 1.00 0.19 N +ATOM 814 CA LEU A 51 -1.081 6.210 2.976 1.00 0.18 C +ATOM 815 C LEU A 51 0.228 6.969 3.109 1.00 0.18 C +ATOM 816 O LEU A 51 0.745 7.517 2.155 1.00 0.20 O +ATOM 817 CB LEU A 51 -1.267 5.748 1.523 1.00 0.17 C +ATOM 818 CG LEU A 51 -0.106 4.823 1.149 1.00 0.19 C +ATOM 819 CD1 LEU A 51 -0.195 3.543 1.973 1.00 0.21 C +ATOM 820 CD2 LEU A 51 -0.185 4.451 -0.328 1.00 0.18 C +ATOM 832 N GLU A 52 0.760 7.014 4.296 1.00 0.19 N +ATOM 833 CA GLU A 52 2.031 7.743 4.505 1.00 0.21 C +ATOM 834 C GLU A 52 3.158 6.861 3.988 1.00 0.19 C +ATOM 835 O GLU A 52 3.789 6.122 4.721 1.00 0.19 O +ATOM 836 CB GLU A 52 2.213 8.030 5.996 1.00 0.24 C +ATOM 837 CG GLU A 52 3.642 8.508 6.256 1.00 0.30 C +ATOM 838 CD GLU A 52 3.650 9.471 7.444 1.00 0.64 C +ATOM 839 OE1 GLU A 52 2.717 9.420 8.229 1.00 1.28 O +ATOM 840 OE2 GLU A 52 4.588 10.244 7.550 1.00 1.44 O +ATOM 847 N TRP A 53 3.385 6.915 2.708 1.00 0.20 N +ATOM 848 CA TRP A 53 4.436 6.072 2.099 1.00 0.20 C +ATOM 849 C TRP A 53 5.813 6.694 2.321 1.00 0.24 C +ATOM 850 O TRP A 53 6.142 7.720 1.760 1.00 0.38 O +ATOM 851 CB TRP A 53 4.175 5.945 0.603 1.00 0.24 C +ATOM 852 CG TRP A 53 4.807 4.689 0.123 1.00 0.23 C +ATOM 853 CD1 TRP A 53 6.084 4.326 0.376 1.00 0.25 C +ATOM 854 CD2 TRP A 53 4.223 3.620 -0.671 1.00 0.21 C +ATOM 855 NE1 TRP A 53 6.325 3.103 -0.214 1.00 0.26 N +ATOM 856 CE2 TRP A 53 5.210 2.627 -0.872 1.00 0.24 C +ATOM 857 CE3 TRP A 53 2.948 3.416 -1.234 1.00 0.21 C +ATOM 858 CZ2 TRP A 53 4.946 1.474 -1.601 1.00 0.25 C +ATOM 859 CZ3 TRP A 53 2.684 2.251 -1.974 1.00 0.23 C +ATOM 860 CH2 TRP A 53 3.682 1.284 -2.156 1.00 0.25 C +ATOM 871 N ARG A 54 6.627 6.069 3.124 1.00 0.26 N +ATOM 872 CA ARG A 54 7.992 6.607 3.371 1.00 0.35 C +ATOM 873 C ARG A 54 8.988 5.823 2.515 1.00 0.49 C +ATOM 874 O ARG A 54 8.781 4.663 2.219 1.00 1.33 O +ATOM 875 CB ARG A 54 8.346 6.446 4.849 1.00 0.44 C +ATOM 876 CG ARG A 54 8.545 7.825 5.481 1.00 0.88 C +ATOM 877 CD ARG A 54 8.772 7.667 6.985 1.00 1.09 C +ATOM 878 NE ARG A 54 10.009 8.396 7.382 1.00 1.40 N +ATOM 879 CZ ARG A 54 10.254 8.632 8.637 1.00 1.87 C +ATOM 880 NH1 ARG A 54 10.719 7.683 9.399 1.00 2.47 N +ATOM 881 NH2 ARG A 54 10.035 9.816 9.133 1.00 2.46 N +ATOM 895 N GLN A 55 10.062 6.439 2.107 1.00 0.53 N +ATOM 896 CA GLN A 55 11.050 5.709 1.264 1.00 0.46 C +ATOM 897 C GLN A 55 10.308 5.032 0.111 1.00 0.53 C +ATOM 898 O GLN A 55 10.193 3.826 0.056 1.00 1.30 O +ATOM 899 CB GLN A 55 11.759 4.650 2.111 1.00 0.55 C +ATOM 900 CG GLN A 55 13.251 4.974 2.186 1.00 1.05 C +ATOM 901 CD GLN A 55 13.542 5.750 3.472 1.00 1.22 C +ATOM 902 OE1 GLN A 55 12.710 5.822 4.354 1.00 1.82 O +ATOM 903 NE2 GLN A 55 14.698 6.338 3.616 1.00 1.89 N +ATOM 912 N PHE A 56 9.791 5.807 -0.801 1.00 0.64 N +ATOM 913 CA PHE A 56 9.035 5.228 -1.949 1.00 0.57 C +ATOM 914 C PHE A 56 10.002 4.576 -2.944 1.00 0.71 C +ATOM 915 O PHE A 56 10.000 3.374 -3.124 1.00 1.62 O +ATOM 916 CB PHE A 56 8.267 6.356 -2.637 1.00 0.62 C +ATOM 917 CG PHE A 56 7.213 5.805 -3.572 1.00 0.57 C +ATOM 918 CD1 PHE A 56 6.938 4.430 -3.629 1.00 1.37 C +ATOM 919 CD2 PHE A 56 6.504 6.690 -4.386 1.00 1.31 C +ATOM 920 CE1 PHE A 56 5.953 3.951 -4.507 1.00 1.40 C +ATOM 921 CE2 PHE A 56 5.522 6.212 -5.260 1.00 1.40 C +ATOM 922 CZ PHE A 56 5.249 4.842 -5.323 1.00 0.79 C +ATOM 932 N GLU A 57 10.824 5.355 -3.595 1.00 0.67 N +ATOM 933 CA GLU A 57 11.784 4.768 -4.576 1.00 0.65 C +ATOM 934 C GLU A 57 12.637 3.708 -3.882 1.00 0.58 C +ATOM 935 O GLU A 57 13.002 2.709 -4.467 1.00 0.58 O +ATOM 936 CB GLU A 57 12.703 5.861 -5.118 1.00 0.80 C +ATOM 937 CG GLU A 57 11.991 6.634 -6.229 1.00 1.16 C +ATOM 938 CD GLU A 57 12.794 7.891 -6.571 1.00 1.75 C +ATOM 939 OE1 GLU A 57 13.812 8.110 -5.935 1.00 2.34 O +ATOM 940 OE2 GLU A 57 12.378 8.612 -7.462 1.00 2.41 O +ATOM 947 N GLN A 58 12.961 3.924 -2.638 1.00 0.58 N +ATOM 948 CA GLN A 58 13.786 2.942 -1.899 1.00 0.60 C +ATOM 949 C GLN A 58 12.982 1.655 -1.731 1.00 0.53 C +ATOM 950 O GLN A 58 13.524 0.569 -1.730 1.00 0.56 O +ATOM 951 CB GLN A 58 14.158 3.516 -0.530 1.00 0.69 C +ATOM 952 CG GLN A 58 15.064 4.735 -0.723 1.00 0.94 C +ATOM 953 CD GLN A 58 16.526 4.322 -0.542 1.00 1.56 C +ATOM 954 OE1 GLN A 58 16.810 3.268 -0.008 1.00 2.34 O +ATOM 955 NE2 GLN A 58 17.472 5.114 -0.966 1.00 1.94 N +ATOM 964 N SER A 59 11.685 1.773 -1.611 1.00 0.52 N +ATOM 965 CA SER A 59 10.829 0.560 -1.473 1.00 0.52 C +ATOM 966 C SER A 59 10.318 0.172 -2.859 1.00 0.44 C +ATOM 967 O SER A 59 9.371 -0.576 -3.002 1.00 0.48 O +ATOM 968 CB SER A 59 9.639 0.859 -0.562 1.00 0.65 C +ATOM 969 OG SER A 59 9.861 0.266 0.709 1.00 1.39 O +ATOM 975 N LYS A 60 10.954 0.675 -3.881 1.00 0.41 N +ATOM 976 CA LYS A 60 10.532 0.342 -5.266 1.00 0.42 C +ATOM 977 C LYS A 60 11.614 -0.520 -5.922 1.00 0.44 C +ATOM 978 O LYS A 60 11.326 -1.436 -6.666 1.00 0.55 O +ATOM 979 CB LYS A 60 10.356 1.636 -6.062 1.00 0.51 C +ATOM 980 CG LYS A 60 9.518 1.361 -7.311 1.00 1.03 C +ATOM 981 CD LYS A 60 9.317 2.665 -8.084 1.00 1.61 C +ATOM 982 CE LYS A 60 9.529 2.412 -9.575 1.00 2.36 C +ATOM 983 NZ LYS A 60 10.507 3.397 -10.112 1.00 3.11 N +ATOM 997 N GLN A 61 12.860 -0.228 -5.655 1.00 0.51 N +ATOM 998 CA GLN A 61 13.963 -1.020 -6.264 1.00 0.62 C +ATOM 999 C GLN A 61 14.010 -2.425 -5.651 1.00 0.60 C +ATOM 1000 O GLN A 61 13.841 -3.416 -6.332 1.00 0.66 O +ATOM 1001 CB GLN A 61 15.297 -0.315 -6.006 1.00 0.73 C +ATOM 1002 CG GLN A 61 15.326 1.021 -6.751 1.00 1.14 C +ATOM 1003 CD GLN A 61 16.704 1.221 -7.385 1.00 1.66 C +ATOM 1004 OE1 GLN A 61 17.499 0.303 -7.440 1.00 2.16 O +ATOM 1005 NE2 GLN A 61 17.024 2.390 -7.868 1.00 2.39 N +ATOM 1014 N LEU A 62 14.264 -2.497 -4.372 1.00 0.64 N +ATOM 1015 CA LEU A 62 14.358 -3.820 -3.661 1.00 0.71 C +ATOM 1016 C LEU A 62 13.391 -4.833 -4.276 1.00 0.67 C +ATOM 1017 O LEU A 62 13.653 -6.019 -4.302 1.00 0.94 O +ATOM 1018 CB LEU A 62 13.995 -3.678 -2.170 1.00 0.78 C +ATOM 1019 CG LEU A 62 13.609 -2.241 -1.817 1.00 0.78 C +ATOM 1020 CD1 LEU A 62 12.330 -1.844 -2.561 1.00 0.66 C +ATOM 1021 CD2 LEU A 62 13.367 -2.146 -0.310 1.00 0.94 C +ATOM 1033 N THR A 63 12.276 -4.379 -4.770 1.00 0.58 N +ATOM 1034 CA THR A 63 11.298 -5.309 -5.376 1.00 0.70 C +ATOM 1035 C THR A 63 10.933 -4.785 -6.761 1.00 0.81 C +ATOM 1036 O THR A 63 9.802 -4.445 -7.030 1.00 0.89 O +ATOM 1037 CB THR A 63 10.042 -5.450 -4.482 1.00 0.65 C +ATOM 1038 OG1 THR A 63 8.893 -5.599 -5.300 1.00 0.72 O +ATOM 1039 CG2 THR A 63 9.848 -4.231 -3.559 1.00 0.52 C +ATOM 1047 N GLU A 64 11.921 -4.721 -7.629 1.00 0.95 N +ATOM 1048 CA GLU A 64 11.731 -4.227 -9.035 1.00 1.21 C +ATOM 1049 C GLU A 64 10.247 -4.117 -9.389 1.00 1.18 C +ATOM 1050 O GLU A 64 9.570 -5.108 -9.578 1.00 1.53 O +ATOM 1051 CB GLU A 64 12.403 -5.214 -9.993 1.00 1.55 C +ATOM 1052 CG GLU A 64 12.903 -4.472 -11.231 1.00 1.91 C +ATOM 1053 CD GLU A 64 14.052 -5.257 -11.865 1.00 2.44 C +ATOM 1054 OE1 GLU A 64 14.291 -6.373 -11.432 1.00 3.09 O +ATOM 1055 OE2 GLU A 64 14.675 -4.730 -12.771 1.00 2.79 O +ATOM 1062 N ASN A 65 9.732 -2.920 -9.470 1.00 1.70 N +ATOM 1063 CA ASN A 65 8.289 -2.761 -9.802 1.00 1.68 C +ATOM 1064 C ASN A 65 7.456 -3.157 -8.582 1.00 0.85 C +ATOM 1065 O ASN A 65 6.375 -3.697 -8.706 1.00 1.09 O +ATOM 1066 CB ASN A 65 7.944 -3.685 -10.974 1.00 2.27 C +ATOM 1067 CG ASN A 65 6.828 -3.063 -11.814 1.00 2.89 C +ATOM 1068 OD1 ASN A 65 6.854 -1.884 -12.103 1.00 3.24 O +ATOM 1069 ND2 ASN A 65 5.844 -3.815 -12.224 1.00 3.66 N +ATOM 1076 N GLY A 66 7.968 -2.928 -7.401 1.00 0.56 N +ATOM 1077 CA GLY A 66 7.225 -3.330 -6.177 1.00 1.20 C +ATOM 1078 C GLY A 66 6.279 -2.227 -5.680 1.00 0.91 C +ATOM 1079 O GLY A 66 5.073 -2.381 -5.677 1.00 1.26 O +ATOM 1083 N ALA A 67 6.826 -1.155 -5.185 1.00 0.39 N +ATOM 1084 CA ALA A 67 5.996 -0.071 -4.590 1.00 0.46 C +ATOM 1085 C ALA A 67 5.313 0.846 -5.615 1.00 0.34 C +ATOM 1086 O ALA A 67 4.352 1.513 -5.286 1.00 0.53 O +ATOM 1087 CB ALA A 67 6.909 0.777 -3.713 1.00 0.64 C +ATOM 1093 N GLU A 68 5.778 0.935 -6.823 1.00 0.27 N +ATOM 1094 CA GLU A 68 5.129 1.851 -7.769 1.00 0.38 C +ATOM 1095 C GLU A 68 3.751 1.292 -8.176 1.00 0.39 C +ATOM 1096 O GLU A 68 2.884 2.021 -8.617 1.00 0.49 O +ATOM 1097 CB GLU A 68 6.069 2.020 -8.971 1.00 0.51 C +ATOM 1098 CG GLU A 68 5.274 2.020 -10.258 1.00 1.38 C +ATOM 1099 CD GLU A 68 6.148 2.521 -11.410 1.00 1.57 C +ATOM 1100 OE1 GLU A 68 6.989 3.370 -11.165 1.00 1.83 O +ATOM 1101 OE2 GLU A 68 5.961 2.047 -12.518 1.00 2.27 O +ATOM 1108 N SER A 69 3.544 0.011 -8.034 1.00 0.39 N +ATOM 1109 CA SER A 69 2.227 -0.585 -8.417 1.00 0.47 C +ATOM 1110 C SER A 69 1.196 -0.382 -7.297 1.00 0.37 C +ATOM 1111 O SER A 69 0.120 0.157 -7.510 1.00 0.35 O +ATOM 1112 CB SER A 69 2.405 -2.082 -8.669 1.00 0.58 C +ATOM 1113 OG SER A 69 2.127 -2.366 -10.033 1.00 0.90 O +ATOM 1119 N VAL A 70 1.509 -0.818 -6.106 1.00 0.34 N +ATOM 1120 CA VAL A 70 0.544 -0.662 -4.984 1.00 0.27 C +ATOM 1121 C VAL A 70 0.107 0.793 -4.912 1.00 0.20 C +ATOM 1122 O VAL A 70 -1.057 1.098 -4.748 1.00 0.20 O +ATOM 1123 CB VAL A 70 1.215 -1.063 -3.671 1.00 0.31 C +ATOM 1124 CG1 VAL A 70 0.288 -0.737 -2.499 1.00 0.29 C +ATOM 1125 CG2 VAL A 70 1.504 -2.565 -3.687 1.00 0.41 C +ATOM 1135 N LEU A 71 1.033 1.696 -5.048 1.00 0.24 N +ATOM 1136 CA LEU A 71 0.663 3.134 -5.002 1.00 0.23 C +ATOM 1137 C LEU A 71 -0.340 3.411 -6.113 1.00 0.23 C +ATOM 1138 O LEU A 71 -1.335 4.061 -5.909 1.00 0.23 O +ATOM 1139 CB LEU A 71 1.897 3.996 -5.229 1.00 0.30 C +ATOM 1140 CG LEU A 71 1.476 5.464 -5.305 1.00 0.35 C +ATOM 1141 CD1 LEU A 71 1.177 5.986 -3.899 1.00 0.36 C +ATOM 1142 CD2 LEU A 71 2.605 6.290 -5.924 1.00 0.43 C +ATOM 1154 N GLN A 72 -0.083 2.914 -7.289 1.00 0.28 N +ATOM 1155 CA GLN A 72 -1.027 3.138 -8.419 1.00 0.30 C +ATOM 1156 C GLN A 72 -2.417 2.716 -7.977 1.00 0.25 C +ATOM 1157 O GLN A 72 -3.408 3.314 -8.334 1.00 0.25 O +ATOM 1158 CB GLN A 72 -0.583 2.279 -9.617 1.00 0.35 C +ATOM 1159 CG GLN A 72 -1.789 1.868 -10.473 1.00 1.18 C +ATOM 1160 CD GLN A 72 -1.304 1.317 -11.813 1.00 1.42 C +ATOM 1161 OE1 GLN A 72 -1.069 2.064 -12.742 1.00 1.78 O +ATOM 1162 NE2 GLN A 72 -1.144 0.029 -11.955 1.00 1.97 N +ATOM 1171 N VAL A 73 -2.487 1.666 -7.230 1.00 0.23 N +ATOM 1172 CA VAL A 73 -3.797 1.162 -6.774 1.00 0.20 C +ATOM 1173 C VAL A 73 -4.352 2.055 -5.661 1.00 0.16 C +ATOM 1174 O VAL A 73 -5.547 2.201 -5.514 1.00 0.16 O +ATOM 1175 CB VAL A 73 -3.590 -0.254 -6.268 1.00 0.21 C +ATOM 1176 CG1 VAL A 73 -4.840 -0.752 -5.547 1.00 0.20 C +ATOM 1177 CG2 VAL A 73 -3.258 -1.151 -7.468 1.00 0.26 C +ATOM 1187 N PHE A 74 -3.501 2.649 -4.873 1.00 0.15 N +ATOM 1188 CA PHE A 74 -4.001 3.529 -3.773 1.00 0.14 C +ATOM 1189 C PHE A 74 -4.501 4.858 -4.358 1.00 0.16 C +ATOM 1190 O PHE A 74 -5.460 5.440 -3.887 1.00 0.18 O +ATOM 1191 CB PHE A 74 -2.868 3.807 -2.778 1.00 0.14 C +ATOM 1192 CG PHE A 74 -2.926 2.806 -1.651 1.00 0.12 C +ATOM 1193 CD1 PHE A 74 -3.895 2.932 -0.650 1.00 0.16 C +ATOM 1194 CD2 PHE A 74 -2.007 1.751 -1.608 1.00 0.16 C +ATOM 1195 CE1 PHE A 74 -3.946 2.003 0.395 1.00 0.18 C +ATOM 1196 CE2 PHE A 74 -2.058 0.822 -0.563 1.00 0.19 C +ATOM 1197 CZ PHE A 74 -3.027 0.949 0.439 1.00 0.19 C +ATOM 1207 N ARG A 75 -3.859 5.334 -5.388 1.00 0.19 N +ATOM 1208 CA ARG A 75 -4.271 6.610 -6.018 1.00 0.23 C +ATOM 1209 C ARG A 75 -5.453 6.341 -6.929 1.00 0.24 C +ATOM 1210 O ARG A 75 -6.368 7.124 -7.030 1.00 0.33 O +ATOM 1211 CB ARG A 75 -3.119 7.150 -6.851 1.00 0.26 C +ATOM 1212 CG ARG A 75 -1.995 7.625 -5.930 1.00 0.54 C +ATOM 1213 CD ARG A 75 -1.790 9.130 -6.107 1.00 1.28 C +ATOM 1214 NE ARG A 75 -1.186 9.394 -7.445 1.00 1.38 N +ATOM 1215 CZ ARG A 75 -1.177 10.604 -7.930 1.00 1.76 C +ATOM 1216 NH1 ARG A 75 -1.310 11.627 -7.134 1.00 2.43 N +ATOM 1217 NH2 ARG A 75 -1.032 10.790 -9.212 1.00 2.43 N +ATOM 1231 N GLU A 76 -5.429 5.219 -7.581 1.00 0.22 N +ATOM 1232 CA GLU A 76 -6.544 4.838 -8.482 1.00 0.23 C +ATOM 1233 C GLU A 76 -7.787 4.692 -7.616 1.00 0.21 C +ATOM 1234 O GLU A 76 -8.839 5.219 -7.917 1.00 0.23 O +ATOM 1235 CB GLU A 76 -6.206 3.501 -9.129 1.00 0.24 C +ATOM 1236 CG GLU A 76 -5.555 3.723 -10.494 1.00 0.30 C +ATOM 1237 CD GLU A 76 -6.631 4.058 -11.527 1.00 0.89 C +ATOM 1238 OE1 GLU A 76 -7.781 3.734 -11.282 1.00 1.65 O +ATOM 1239 OE2 GLU A 76 -6.286 4.632 -12.547 1.00 1.48 O +ATOM 1246 N ALA A 77 -7.653 4.005 -6.512 1.00 0.18 N +ATOM 1247 CA ALA A 77 -8.796 3.857 -5.591 1.00 0.17 C +ATOM 1248 C ALA A 77 -9.143 5.259 -5.113 1.00 0.19 C +ATOM 1249 O ALA A 77 -10.294 5.632 -5.003 1.00 0.20 O +ATOM 1250 CB ALA A 77 -8.403 2.975 -4.403 1.00 0.17 C +ATOM 1256 N LYS A 78 -8.133 6.059 -4.876 1.00 0.21 N +ATOM 1257 CA LYS A 78 -8.377 7.464 -4.462 1.00 0.24 C +ATOM 1258 C LYS A 78 -9.200 8.121 -5.560 1.00 0.28 C +ATOM 1259 O LYS A 78 -9.990 9.016 -5.336 1.00 0.32 O +ATOM 1260 CB LYS A 78 -7.038 8.187 -4.372 1.00 0.26 C +ATOM 1261 CG LYS A 78 -7.077 9.218 -3.247 1.00 0.32 C +ATOM 1262 CD LYS A 78 -7.173 10.619 -3.855 1.00 0.70 C +ATOM 1263 CE LYS A 78 -7.216 11.663 -2.738 1.00 0.99 C +ATOM 1264 NZ LYS A 78 -6.353 12.821 -3.109 1.00 1.50 N +ATOM 1278 N ALA A 79 -8.984 7.664 -6.756 1.00 0.28 N +ATOM 1279 CA ALA A 79 -9.690 8.204 -7.933 1.00 0.33 C +ATOM 1280 C ALA A 79 -11.110 7.645 -7.972 1.00 0.32 C +ATOM 1281 O ALA A 79 -12.027 8.262 -8.477 1.00 0.38 O +ATOM 1282 CB ALA A 79 -8.920 7.757 -9.173 1.00 0.35 C +ATOM 1288 N GLU A 80 -11.285 6.472 -7.440 1.00 0.28 N +ATOM 1289 CA GLU A 80 -12.620 5.829 -7.425 1.00 0.29 C +ATOM 1290 C GLU A 80 -13.585 6.626 -6.544 1.00 0.37 C +ATOM 1291 O GLU A 80 -14.762 6.332 -6.476 1.00 0.68 O +ATOM 1292 CB GLU A 80 -12.466 4.417 -6.865 1.00 0.32 C +ATOM 1293 CG GLU A 80 -12.076 3.469 -7.995 1.00 0.45 C +ATOM 1294 CD GLU A 80 -13.336 2.876 -8.627 1.00 0.67 C +ATOM 1295 OE1 GLU A 80 -13.927 3.543 -9.460 1.00 1.40 O +ATOM 1296 OE2 GLU A 80 -13.688 1.764 -8.269 1.00 1.30 O +ATOM 1303 N GLY A 81 -13.098 7.621 -5.858 1.00 0.39 N +ATOM 1304 CA GLY A 81 -13.987 8.421 -4.973 1.00 0.45 C +ATOM 1305 C GLY A 81 -13.572 8.186 -3.522 1.00 0.39 C +ATOM 1306 O GLY A 81 -13.963 8.908 -2.626 1.00 0.45 O +ATOM 1310 N CYS A 82 -12.776 7.179 -3.288 1.00 0.41 N +ATOM 1311 CA CYS A 82 -12.322 6.888 -1.905 1.00 0.38 C +ATOM 1312 C CYS A 82 -11.476 8.057 -1.395 1.00 0.38 C +ATOM 1313 O CYS A 82 -10.977 8.854 -2.164 1.00 0.49 O +ATOM 1314 CB CYS A 82 -11.480 5.614 -1.920 1.00 0.39 C +ATOM 1315 SG CYS A 82 -12.566 4.168 -1.820 1.00 0.63 S +ATOM 1321 N ASP A 83 -11.316 8.173 -0.105 1.00 0.32 N +ATOM 1322 CA ASP A 83 -10.510 9.298 0.444 1.00 0.37 C +ATOM 1323 C ASP A 83 -9.188 8.769 1.009 1.00 0.36 C +ATOM 1324 O ASP A 83 -8.935 8.844 2.195 1.00 0.57 O +ATOM 1325 CB ASP A 83 -11.305 9.984 1.553 1.00 0.42 C +ATOM 1326 CG ASP A 83 -10.709 11.364 1.834 1.00 0.53 C +ATOM 1327 OD1 ASP A 83 -9.782 11.437 2.624 1.00 1.11 O +ATOM 1328 OD2 ASP A 83 -11.191 12.324 1.255 1.00 1.30 O +ATOM 1333 N ILE A 84 -8.339 8.244 0.168 1.00 0.33 N +ATOM 1334 CA ILE A 84 -7.028 7.720 0.652 1.00 0.31 C +ATOM 1335 C ILE A 84 -5.965 8.818 0.503 1.00 0.34 C +ATOM 1336 O ILE A 84 -5.289 8.905 -0.503 1.00 0.67 O +ATOM 1337 CB ILE A 84 -6.622 6.513 -0.191 1.00 0.30 C +ATOM 1338 CG1 ILE A 84 -7.546 5.345 0.117 1.00 0.50 C +ATOM 1339 CG2 ILE A 84 -5.182 6.114 0.131 1.00 0.28 C +ATOM 1340 CD1 ILE A 84 -8.049 4.762 -1.198 1.00 0.34 C +ATOM 1352 N THR A 85 -5.813 9.657 1.490 1.00 0.49 N +ATOM 1353 CA THR A 85 -4.796 10.748 1.400 1.00 0.50 C +ATOM 1354 C THR A 85 -3.430 10.156 1.047 1.00 0.47 C +ATOM 1355 O THR A 85 -2.721 9.661 1.897 1.00 0.60 O +ATOM 1356 CB THR A 85 -4.702 11.468 2.749 1.00 0.61 C +ATOM 1357 OG1 THR A 85 -5.862 12.265 2.940 1.00 0.76 O +ATOM 1358 CG2 THR A 85 -3.458 12.361 2.773 1.00 0.55 C +ATOM 1366 N ILE A 86 -3.051 10.211 -0.200 1.00 0.41 N +ATOM 1367 CA ILE A 86 -1.727 9.654 -0.602 1.00 0.40 C +ATOM 1368 C ILE A 86 -0.610 10.583 -0.118 1.00 0.44 C +ATOM 1369 O ILE A 86 -0.489 11.706 -0.564 1.00 0.59 O +ATOM 1370 CB ILE A 86 -1.665 9.540 -2.126 1.00 0.38 C +ATOM 1371 CG1 ILE A 86 -2.821 8.668 -2.620 1.00 0.74 C +ATOM 1372 CG2 ILE A 86 -0.331 8.915 -2.540 1.00 0.93 C +ATOM 1373 CD1 ILE A 86 -2.613 7.223 -2.166 1.00 0.32 C +ATOM 1385 N ILE A 87 0.212 10.123 0.786 1.00 0.39 N +ATOM 1386 CA ILE A 87 1.322 10.982 1.287 1.00 0.44 C +ATOM 1387 C ILE A 87 2.659 10.368 0.860 1.00 0.44 C +ATOM 1388 O ILE A 87 3.132 9.413 1.442 1.00 0.55 O +ATOM 1389 CB ILE A 87 1.247 11.073 2.813 1.00 0.46 C +ATOM 1390 CG1 ILE A 87 0.091 11.995 3.208 1.00 0.57 C +ATOM 1391 CG2 ILE A 87 2.556 11.640 3.362 1.00 0.55 C +ATOM 1392 CD1 ILE A 87 -0.237 11.800 4.689 1.00 0.61 C +ATOM 1404 N LEU A 88 3.259 10.902 -0.170 1.00 0.50 N +ATOM 1405 CA LEU A 88 4.552 10.348 -0.662 1.00 0.52 C +ATOM 1406 C LEU A 88 5.728 11.146 -0.093 1.00 0.56 C +ATOM 1407 O LEU A 88 5.984 12.263 -0.495 1.00 0.80 O +ATOM 1408 CB LEU A 88 4.558 10.413 -2.173 1.00 0.59 C +ATOM 1409 CG LEU A 88 3.653 9.297 -2.669 1.00 0.82 C +ATOM 1410 CD1 LEU A 88 2.691 9.851 -3.697 1.00 0.94 C +ATOM 1411 CD2 LEU A 88 4.496 8.193 -3.286 1.00 1.57 C +ATOM 1423 N SER A 89 6.445 10.581 0.841 1.00 0.55 N +ATOM 1424 CA SER A 89 7.604 11.308 1.435 1.00 0.62 C +ATOM 1425 C SER A 89 8.908 10.659 0.968 1.00 0.85 C +ATOM 1426 O SER A 89 8.935 9.445 0.852 1.00 1.41 O +ATOM 1427 CB SER A 89 7.520 11.241 2.961 1.00 0.87 C +ATOM 1428 OG SER A 89 7.246 12.538 3.473 1.00 1.64 O +ATOM 1429 OXT SER A 89 9.859 11.388 0.735 1.00 1.52 O +TER 1435 SER A 89 +MASTER 97 1 0 4 3 0 0 6 1434 1 0 7 +END diff --git a/data/old.pdb b/data/old.pdb new file mode 100644 index 0000000..b58a0c0 --- /dev/null +++ b/data/old.pdb @@ -0,0 +1,738 @@ +ATOM 1 N LYS A 1 -8.655 5.770 8.371 1.00 1.40 N +ATOM 2 CA LYS A 1 -7.542 5.187 9.163 1.00 0.52 C +ATOM 3 C LYS A 1 -6.210 5.619 8.561 1.00 0.39 C +ATOM 4 O LYS A 1 -6.156 6.468 7.693 1.00 0.33 O +ATOM 5 CB LYS A 1 -7.641 3.666 9.159 1.00 1.53 C +ATOM 6 CG LYS A 1 -7.750 3.179 10.602 1.00 2.38 C +ATOM 7 CD LYS A 1 -9.158 3.466 11.126 1.00 3.11 C +ATOM 8 CE LYS A 1 -9.145 4.744 11.965 1.00 3.58 C +ATOM 9 NZ LYS A 1 -9.497 4.416 13.375 1.00 4.21 N1+ +ATOM 10 H01 LYS A 1 -8.337 6.612 7.912 1.00 1.40 H +ATOM 11 H02 LYS A 1 -8.961 5.103 7.677 1.00 1.40 H +ATOM 12 N LYS A 2 -5.128 5.066 9.028 1.00 0.51 N +ATOM 13 CA LYS A 2 -3.813 5.485 8.490 1.00 0.44 C +ATOM 14 C LYS A 2 -2.931 4.277 8.172 1.00 0.41 C +ATOM 15 O LYS A 2 -3.040 3.218 8.757 1.00 0.58 O +ATOM 16 CB LYS A 2 -3.138 6.383 9.534 1.00 0.63 C +ATOM 17 CG LYS A 2 -1.624 6.134 9.604 1.00 1.04 C +ATOM 18 CD LYS A 2 -0.967 7.224 10.453 1.00 0.93 C +ATOM 19 CE LYS A 2 0.116 7.929 9.634 1.00 0.63 C +ATOM 20 NZ LYS A 2 1.057 8.630 10.551 1.00 1.43 N1+ +ATOM 21 H03 LYS A 2 -5.184 4.360 9.748 1.00 0.51 H +ATOM 22 N ALA A 3 -2.040 4.474 7.250 1.00 0.27 N +ATOM 23 CA ALA A 3 -1.086 3.403 6.848 1.00 0.30 C +ATOM 24 C ALA A 3 0.316 4.013 6.751 1.00 0.30 C +ATOM 25 O ALA A 3 0.469 5.207 6.586 1.00 0.54 O +ATOM 26 CB ALA A 3 -1.491 2.834 5.486 1.00 0.34 C +ATOM 27 H01 ALA A 3 -1.992 5.374 6.794 1.00 0.27 H +ATOM 28 N VAL A 4 1.342 3.214 6.860 1.00 0.30 N +ATOM 29 CA VAL A 4 2.725 3.769 6.780 1.00 0.27 C +ATOM 30 C VAL A 4 3.643 2.773 6.074 1.00 0.26 C +ATOM 31 O VAL A 4 3.842 1.667 6.535 1.00 0.33 O +ATOM 32 CB VAL A 4 3.250 4.021 8.194 1.00 0.30 C +ATOM 33 CG1 VAL A 4 4.617 4.709 8.122 1.00 0.35 C +ATOM 34 CG2 VAL A 4 2.262 4.915 8.946 1.00 0.35 C +ATOM 35 H01 VAL A 4 1.201 2.224 6.998 1.00 0.30 H +ATOM 36 N ILE A 5 4.210 3.153 4.961 1.00 0.23 N +ATOM 37 CA ILE A 5 5.117 2.213 4.245 1.00 0.23 C +ATOM 38 C ILE A 5 6.570 2.567 4.552 1.00 0.25 C +ATOM 39 O ILE A 5 7.176 3.388 3.893 1.00 0.27 O +ATOM 40 CB ILE A 5 4.879 2.300 2.742 1.00 0.23 C +ATOM 41 CG1 ILE A 5 3.360 2.231 2.478 1.00 0.23 C +ATOM 42 CG2 ILE A 5 5.620 1.142 2.061 1.00 0.24 C +ATOM 43 CD1 ILE A 5 3.034 1.246 1.346 1.00 0.22 C +ATOM 44 H01 ILE A 5 4.035 4.076 4.589 1.00 0.23 H +ATOM 45 N ASN A 6 7.134 1.947 5.547 1.00 0.27 N +ATOM 46 CA ASN A 6 8.545 2.232 5.905 1.00 0.31 C +ATOM 47 C ASN A 6 9.466 1.399 5.009 1.00 0.31 C +ATOM 48 O ASN A 6 9.611 0.207 5.189 1.00 0.35 O +ATOM 49 CB ASN A 6 8.759 1.859 7.370 1.00 0.37 C +ATOM 50 CG ASN A 6 8.067 2.890 8.264 1.00 0.65 C +ATOM 51 ND2 ASN A 6 8.054 2.711 9.557 1.00 1.13 N +ATOM 52 OD1 ASN A 6 7.534 3.869 7.782 1.00 1.48 O +ATOM 53 H01 ASN A 6 6.608 1.268 6.079 1.00 0.27 H +ATOM 54 N GLY A 7 10.078 2.017 4.035 1.00 0.33 N +ATOM 55 CA GLY A 7 10.976 1.261 3.114 1.00 0.36 C +ATOM 56 C GLY A 7 12.182 0.718 3.879 1.00 0.35 C +ATOM 57 O GLY A 7 12.583 -0.414 3.694 1.00 0.46 O +ATOM 58 H01 GLY A 7 9.943 3.009 3.905 1.00 0.33 H +ATOM 59 N GLU A 8 12.767 1.509 4.735 1.00 0.38 N +ATOM 60 CA GLU A 8 13.946 1.022 5.505 1.00 0.43 C +ATOM 61 C GLU A 8 13.659 -0.390 6.019 1.00 0.39 C +ATOM 62 O GLU A 8 14.559 -1.170 6.260 1.00 0.45 O +ATOM 63 CB GLU A 8 14.207 1.950 6.696 1.00 0.53 C +ATOM 64 CG GLU A 8 14.064 3.409 6.256 1.00 1.39 C +ATOM 65 CD GLU A 8 14.660 4.324 7.328 1.00 1.74 C +ATOM 66 OE1 GLU A 8 14.225 4.232 8.464 1.00 2.30 O +ATOM 67 OE2 GLU A 8 15.540 5.100 6.994 1.00 2.19 O1- +ATOM 68 H01 GLU A 8 12.422 2.448 4.875 1.00 0.38 H +ATOM 69 N GLN A 9 12.408 -0.720 6.195 1.00 0.35 N +ATOM 70 CA GLN A 9 12.051 -2.069 6.699 1.00 0.38 C +ATOM 71 C GLN A 9 11.745 -3.001 5.523 1.00 0.35 C +ATOM 72 O GLN A 9 12.213 -4.121 5.468 1.00 0.40 O +ATOM 73 CB GLN A 9 10.811 -1.937 7.578 1.00 0.43 C +ATOM 74 CG GLN A 9 11.027 -0.819 8.600 1.00 0.50 C +ATOM 75 CD GLN A 9 11.790 -1.365 9.805 1.00 1.06 C +ATOM 76 NE2 GLN A 9 11.151 -2.059 10.705 1.00 1.49 N +ATOM 77 OE1 GLN A 9 12.979 -1.155 9.931 1.00 1.97 O +ATOM 78 H01 GLN A 9 11.679 -0.053 5.987 1.00 0.35 H +ATOM 79 N ILE A 10 10.952 -2.550 4.591 1.00 0.32 N +ATOM 80 CA ILE A 10 10.597 -3.408 3.424 1.00 0.34 C +ATOM 81 C ILE A 10 11.825 -4.171 2.934 1.00 0.31 C +ATOM 82 O ILE A 10 12.893 -3.617 2.765 1.00 0.35 O +ATOM 83 CB ILE A 10 10.059 -2.546 2.281 1.00 0.37 C +ATOM 84 CG1 ILE A 10 8.683 -2.005 2.655 1.00 0.51 C +ATOM 85 CG2 ILE A 10 9.933 -3.402 1.018 1.00 0.35 C +ATOM 86 CD1 ILE A 10 7.689 -3.158 2.715 1.00 0.78 C +ATOM 87 H01 ILE A 10 10.576 -1.615 4.660 1.00 0.32 H +ATOM 88 N ARG A 11 11.668 -5.440 2.692 1.00 0.33 N +ATOM 89 CA ARG A 11 12.794 -6.261 2.200 1.00 0.37 C +ATOM 90 C ARG A 11 12.423 -6.834 0.830 1.00 0.39 C +ATOM 91 O ARG A 11 13.251 -7.368 0.120 1.00 0.48 O +ATOM 92 CB ARG A 11 13.035 -7.400 3.184 1.00 0.50 C +ATOM 93 CG ARG A 11 13.677 -6.844 4.458 1.00 0.57 C +ATOM 94 CD ARG A 11 15.105 -7.376 4.589 1.00 1.27 C +ATOM 95 NE ARG A 11 15.489 -7.404 6.030 1.00 1.87 N +ATOM 96 CZ ARG A 11 16.544 -8.065 6.417 1.00 2.53 C +ATOM 97 H01 ARG A 11 10.766 -5.869 2.842 1.00 0.33 H +ATOM 98 N SER A 12 11.174 -6.725 0.458 1.00 0.37 N +ATOM 99 CA SER A 12 10.732 -7.258 -0.860 1.00 0.45 C +ATOM 100 C SER A 12 9.270 -6.869 -1.096 1.00 0.42 C +ATOM 101 O SER A 12 8.619 -6.289 -0.242 1.00 0.37 O +ATOM 102 CB SER A 12 10.862 -8.781 -0.865 1.00 0.56 C +ATOM 103 OG SER A 12 11.282 -9.221 0.419 1.00 1.44 O +ATOM 104 H01 SER A 12 10.506 -6.277 1.068 1.00 0.37 H +ATOM 105 N ILE A 13 8.741 -7.185 -2.245 1.00 0.47 N +ATOM 106 CA ILE A 13 7.324 -6.831 -2.520 1.00 0.46 C +ATOM 107 C ILE A 13 6.445 -7.446 -1.435 1.00 0.41 C +ATOM 108 O ILE A 13 5.579 -6.799 -0.887 1.00 0.36 O +ATOM 109 CB ILE A 13 6.908 -7.370 -3.892 1.00 0.56 C +ATOM 110 CG1 ILE A 13 5.570 -6.749 -4.313 1.00 0.63 C +ATOM 111 CG2 ILE A 13 6.753 -8.888 -3.812 1.00 0.64 C +ATOM 112 CD1 ILE A 13 5.564 -5.246 -4.010 1.00 0.57 C +ATOM 113 H01 ILE A 13 9.290 -7.667 -2.943 1.00 0.47 H +ATOM 114 N SER A 14 6.669 -8.690 -1.109 1.00 0.46 N +ATOM 115 CA SER A 14 5.851 -9.332 -0.047 1.00 0.44 C +ATOM 116 C SER A 14 5.859 -8.424 1.179 1.00 0.37 C +ATOM 117 O SER A 14 4.837 -8.162 1.781 1.00 0.35 O +ATOM 118 CB SER A 14 6.453 -10.689 0.312 1.00 0.50 C +ATOM 119 OG SER A 14 5.481 -11.469 0.996 1.00 1.07 O +ATOM 120 H01 SER A 14 7.395 -9.214 -1.576 1.00 0.46 H +ATOM 121 N ASP A 15 7.009 -7.928 1.541 1.00 0.34 N +ATOM 122 CA ASP A 15 7.097 -7.021 2.709 1.00 0.30 C +ATOM 123 C ASP A 15 6.187 -5.819 2.475 1.00 0.24 C +ATOM 124 O ASP A 15 5.470 -5.386 3.353 1.00 0.23 O +ATOM 125 CB ASP A 15 8.536 -6.538 2.871 1.00 0.30 C +ATOM 126 CG ASP A 15 9.056 -6.939 4.254 1.00 0.33 C +ATOM 127 OD1 ASP A 15 8.483 -7.843 4.840 1.00 1.17 O +ATOM 128 OD2 ASP A 15 10.015 -6.335 4.705 1.00 1.08 O1- +ATOM 129 H01 ASP A 15 7.844 -8.163 1.023 1.00 0.34 H +ATOM 130 N LEU A 16 6.211 -5.283 1.288 1.00 0.25 N +ATOM 131 CA LEU A 16 5.347 -4.111 0.980 1.00 0.23 C +ATOM 132 C LEU A 16 3.898 -4.464 1.298 1.00 0.22 C +ATOM 133 O LEU A 16 3.233 -3.804 2.073 1.00 0.21 O +ATOM 134 CB LEU A 16 5.470 -3.779 -0.505 1.00 0.28 C +ATOM 135 CG LEU A 16 4.802 -2.436 -0.784 1.00 0.31 C +ATOM 136 CD1 LEU A 16 5.341 -1.386 0.188 1.00 0.31 C +ATOM 137 CD2 LEU A 16 5.110 -2.013 -2.219 1.00 0.39 C +ATOM 138 H01 LEU A 16 6.817 -5.664 0.575 1.00 0.25 H +ATOM 139 N GLN A 18 2.969 -6.639 3.055 1.00 0.19 N +ATOM 140 CA GLN A 18 2.905 -7.047 4.475 1.00 0.19 C +ATOM 141 C GLN A 18 2.501 -5.844 5.322 1.00 0.17 C +ATOM 142 O GLN A 18 1.541 -5.888 6.067 1.00 0.18 O +ATOM 143 CB GLN A 18 4.275 -7.553 4.927 1.00 0.21 C +ATOM 144 CG GLN A 18 4.092 -8.654 5.975 1.00 0.55 C +ATOM 145 CD GLN A 18 5.461 -9.139 6.452 1.00 1.31 C +ATOM 146 NE2 GLN A 18 5.626 -10.399 6.749 1.00 2.02 N +ATOM 147 OE1 GLN A 18 6.390 -8.363 6.557 1.00 2.11 O +ATOM 148 H01 GLN A 18 2.794 -7.440 2.466 1.00 0.19 H +ATOM 149 H02 GLN A 18 2.272 -5.930 2.876 1.00 0.19 H +ATOM 150 N LEU A 20 1.286 -3.056 4.258 1.00 0.16 N +ATOM 151 CA LEU A 20 -0.022 -2.590 3.751 1.00 0.18 C +ATOM 152 C LEU A 20 -1.104 -3.472 4.365 1.00 0.17 C +ATOM 153 O LEU A 20 -2.183 -3.040 4.683 1.00 0.24 O +ATOM 154 CB LEU A 20 -0.050 -2.738 2.232 1.00 0.19 C +ATOM 155 CG LEU A 20 0.878 -1.705 1.588 1.00 0.20 C +ATOM 156 CD1 LEU A 20 0.822 -1.851 0.068 1.00 0.23 C +ATOM 157 CD2 LEU A 20 0.434 -0.292 1.981 1.00 0.21 C +ATOM 158 H01 LEU A 20 1.621 -3.814 3.680 1.00 0.16 H +ATOM 159 H03 LEU A 20 1.183 -3.378 5.210 1.00 0.16 H +ATOM 160 N LYS A 21 -0.794 -4.716 4.530 1.00 0.16 N +ATOM 161 CA LYS A 21 -1.760 -5.680 5.122 1.00 0.16 C +ATOM 162 C LYS A 21 -2.011 -5.324 6.586 1.00 0.17 C +ATOM 163 O LYS A 21 -3.123 -5.365 7.059 1.00 0.19 O +ATOM 164 CB LYS A 21 -1.173 -7.088 5.035 1.00 0.17 C +ATOM 165 CG LYS A 21 -2.174 -8.100 5.593 1.00 0.29 C +ATOM 166 CD LYS A 21 -1.414 -9.229 6.292 1.00 0.68 C +ATOM 167 CE LYS A 21 -2.407 -10.255 6.837 1.00 1.26 C +ATOM 168 NZ LYS A 21 -1.733 -11.101 7.860 1.00 1.94 N1+ +ATOM 169 H02 LYS A 21 0.121 -5.040 4.252 1.00 0.16 H +ATOM 170 N LYS A 22 -0.991 -4.980 7.317 1.00 0.18 N +ATOM 171 CA LYS A 22 -1.204 -4.631 8.741 1.00 0.20 C +ATOM 172 C LYS A 22 -2.006 -3.335 8.817 1.00 0.23 C +ATOM 173 O LYS A 22 -3.074 -3.277 9.390 1.00 0.29 O +ATOM 174 CB LYS A 22 0.142 -4.442 9.432 1.00 0.22 C +ATOM 175 CG LYS A 22 0.148 -5.278 10.717 1.00 0.83 C +ATOM 176 CD LYS A 22 1.553 -5.339 11.302 1.00 1.43 C +ATOM 177 CE LYS A 22 1.494 -6.033 12.671 1.00 2.18 C +ATOM 178 NZ LYS A 22 2.827 -6.602 13.001 1.00 2.84 N1+ +ATOM 179 H01 LYS A 22 -0.064 -4.951 6.918 1.00 0.18 H +ATOM 180 N GLU A 23 -1.495 -2.303 8.219 1.00 0.22 N +ATOM 181 CA GLU A 23 -2.195 -1.004 8.212 1.00 0.26 C +ATOM 182 C GLU A 23 -3.621 -1.224 7.716 1.00 0.24 C +ATOM 183 O GLU A 23 -4.587 -1.066 8.436 1.00 0.27 O +ATOM 184 CB GLU A 23 -1.450 -0.080 7.250 1.00 0.29 C +ATOM 185 CG GLU A 23 -0.006 0.098 7.725 1.00 0.35 C +ATOM 186 CD GLU A 23 0.032 1.057 8.914 1.00 1.53 C +ATOM 187 OE1 GLU A 23 -1.026 1.364 9.438 1.00 2.29 O +ATOM 188 OE2 GLU A 23 1.120 1.471 9.280 1.00 2.27 O1- +ATOM 189 H01 GLU A 23 -0.604 -2.390 7.751 1.00 0.22 H +ATOM 190 N LEU A 24 -3.737 -1.599 6.480 1.00 0.23 N +ATOM 191 CA LEU A 24 -5.066 -1.859 5.871 1.00 0.23 C +ATOM 192 C LEU A 24 -5.767 -2.996 6.618 1.00 0.22 C +ATOM 193 O LEU A 24 -6.953 -3.209 6.467 1.00 0.24 O +ATOM 194 CB LEU A 24 -4.848 -2.277 4.418 1.00 0.21 C +ATOM 195 CG LEU A 24 -4.150 -1.150 3.658 1.00 0.25 C +ATOM 196 CD1 LEU A 24 -3.120 -1.750 2.701 1.00 0.20 C +ATOM 197 CD2 LEU A 24 -5.184 -0.352 2.862 1.00 0.40 C +ATOM 198 H01 LEU A 24 -2.905 -1.717 5.919 1.00 0.23 H +ATOM 199 N ALA A 25 -5.043 -3.736 7.416 1.00 0.21 N +ATOM 200 CA ALA A 25 -5.667 -4.860 8.158 1.00 0.22 C +ATOM 201 C ALA A 25 -6.369 -5.796 7.170 1.00 0.21 C +ATOM 202 O ALA A 25 -7.501 -6.191 7.366 1.00 0.23 O +ATOM 203 CB ALA A 25 -6.670 -4.292 9.152 1.00 0.26 C +ATOM 204 H01 ALA A 25 -4.058 -3.543 7.528 1.00 0.21 H +ATOM 205 N LEU A 26 -5.693 -6.152 6.112 1.00 0.21 N +ATOM 206 CA LEU A 26 -6.293 -7.062 5.095 1.00 0.24 C +ATOM 207 C LEU A 26 -6.438 -8.468 5.690 1.00 0.28 C +ATOM 208 O LEU A 26 -5.795 -8.792 6.669 1.00 0.30 O +ATOM 209 CB LEU A 26 -5.371 -7.117 3.872 1.00 0.23 C +ATOM 210 CG LEU A 26 -4.954 -5.697 3.483 1.00 0.21 C +ATOM 211 CD1 LEU A 26 -3.954 -5.751 2.337 1.00 0.26 C +ATOM 212 CD2 LEU A 26 -6.187 -4.909 3.043 1.00 0.23 C +ATOM 213 H01 LEU A 26 -4.753 -5.807 5.981 1.00 0.21 H +ATOM 214 N PRO A 27 -7.280 -9.262 5.077 1.00 0.34 N +ATOM 215 CA PRO A 27 -7.526 -10.643 5.529 1.00 0.41 C +ATOM 216 C PRO A 27 -6.221 -11.438 5.555 1.00 0.39 C +ATOM 217 O PRO A 27 -5.165 -10.932 5.233 1.00 0.31 O +ATOM 218 CB PRO A 27 -8.489 -11.230 4.490 1.00 0.48 C +ATOM 219 CG PRO A 27 -8.880 -10.091 3.514 1.00 0.48 C +ATOM 220 CD PRO A 27 -8.054 -8.852 3.890 1.00 0.38 C +ATOM 221 N GLU A 28 -6.289 -12.685 5.931 1.00 0.50 N +ATOM 222 CA GLU A 28 -5.058 -13.519 5.972 1.00 0.53 C +ATOM 223 C GLU A 28 -4.729 -13.997 4.558 1.00 0.49 C +ATOM 224 O GLU A 28 -3.622 -14.407 4.273 1.00 0.51 O +ATOM 225 CB GLU A 28 -5.295 -14.732 6.871 1.00 0.67 C +ATOM 226 CG GLU A 28 -5.557 -14.268 8.305 1.00 1.14 C +ATOM 227 CD GLU A 28 -5.237 -15.405 9.276 1.00 1.65 C +ATOM 228 OE1 GLU A 28 -4.380 -16.210 8.953 1.00 2.31 O +ATOM 229 OE2 GLU A 28 -5.856 -15.452 10.327 1.00 2.20 O1- +ATOM 230 H01 GLU A 28 -7.178 -13.085 6.195 1.00 0.50 H +ATOM 231 N TYR A 29 -5.686 -13.952 3.671 1.00 0.47 N +ATOM 232 CA TYR A 29 -5.426 -14.409 2.279 1.00 0.44 C +ATOM 233 C TYR A 29 -5.020 -13.218 1.409 1.00 0.37 C +ATOM 234 O TYR A 29 -4.999 -13.312 0.198 1.00 0.38 O +ATOM 235 CB TYR A 29 -6.686 -15.061 1.704 1.00 0.51 C +ATOM 236 CG TYR A 29 -7.900 -14.250 2.087 1.00 0.66 C +ATOM 237 CD1 TYR A 29 -8.300 -13.171 1.290 1.00 1.29 C +ATOM 238 CD2 TYR A 29 -8.627 -14.579 3.237 1.00 1.53 C +ATOM 239 CE1 TYR A 29 -9.428 -12.421 1.643 1.00 1.43 C +ATOM 240 CE2 TYR A 29 -9.756 -13.829 3.590 1.00 1.75 C +ATOM 241 CZ TYR A 29 -10.156 -12.750 2.793 1.00 1.24 C +ATOM 242 H01 TYR A 29 -6.600 -13.608 3.929 1.00 0.47 H +ATOM 243 N TYR A 30 -4.694 -12.103 2.017 1.00 0.32 N +ATOM 244 CA TYR A 30 -4.275 -10.903 1.222 1.00 0.28 C +ATOM 245 C TYR A 30 -3.419 -11.366 0.035 1.00 0.32 C +ATOM 246 O TYR A 30 -2.281 -11.759 0.193 1.00 0.38 O +ATOM 247 CB TYR A 30 -3.462 -9.958 2.121 1.00 0.29 C +ATOM 248 CG TYR A 30 -3.006 -8.741 1.339 1.00 0.20 C +ATOM 249 CD1 TYR A 30 -3.750 -8.286 0.243 1.00 0.47 C +ATOM 250 CD2 TYR A 30 -1.832 -8.068 1.715 1.00 0.48 C +ATOM 251 CE1 TYR A 30 -3.319 -7.163 -0.477 1.00 0.49 C +ATOM 252 CE2 TYR A 30 -1.400 -6.943 0.995 1.00 0.49 C +ATOM 253 CZ TYR A 30 -2.145 -6.493 -0.102 1.00 0.25 C +ATOM 254 H01 TYR A 30 -4.725 -12.052 3.025 1.00 0.32 H +ATOM 255 N GLY A 31 -3.974 -11.339 -1.151 1.00 0.39 N +ATOM 256 CA GLY A 31 -3.215 -11.796 -2.357 1.00 0.51 C +ATOM 257 C GLY A 31 -2.004 -10.892 -2.611 1.00 0.58 C +ATOM 258 O GLY A 31 -1.214 -11.146 -3.495 1.00 1.36 O +ATOM 259 H01 GLY A 31 -4.922 -11.007 -1.253 1.00 0.39 H +ATOM 260 N GLU A 32 -1.870 -9.835 -1.853 1.00 0.56 N +ATOM 261 CA GLU A 32 -0.726 -8.877 -2.011 1.00 0.54 C +ATOM 262 C GLU A 32 -0.533 -8.420 -3.470 1.00 0.54 C +ATOM 263 O GLU A 32 0.377 -7.671 -3.760 1.00 0.59 O +ATOM 264 CB GLU A 32 0.582 -9.491 -1.474 1.00 0.66 C +ATOM 265 CG GLU A 32 0.741 -10.947 -1.915 1.00 1.51 C +ATOM 266 CD GLU A 32 2.052 -11.506 -1.358 1.00 1.87 C +ATOM 267 OE1 GLU A 32 3.044 -10.799 -1.410 1.00 2.36 O +ATOM 268 OE2 GLU A 32 2.040 -12.632 -0.890 1.00 2.37 O1- +ATOM 269 H01 GLU A 32 -2.560 -9.657 -1.137 1.00 0.56 H +ATOM 270 N ASN A 33 -1.373 -8.817 -4.389 1.00 0.51 N +ATOM 271 CA ASN A 33 -1.203 -8.335 -5.792 1.00 0.53 C +ATOM 272 C ASN A 33 -1.891 -6.977 -5.927 1.00 0.50 C +ATOM 273 O ASN A 33 -2.423 -6.444 -4.974 1.00 0.56 O +ATOM 274 CB ASN A 33 -1.811 -9.321 -6.806 1.00 0.54 C +ATOM 275 CG ASN A 33 -2.420 -10.533 -6.096 1.00 0.62 C +ATOM 276 ND2 ASN A 33 -3.703 -10.559 -5.864 1.00 0.82 N +ATOM 277 OD1 ASN A 33 -1.721 -11.465 -5.752 1.00 1.57 O +ATOM 278 H01 ASN A 33 -2.129 -9.443 -4.153 1.00 0.51 H +ATOM 279 N LEU A 34 -1.918 -6.429 -7.107 1.00 0.48 N +ATOM 280 CA LEU A 34 -2.609 -5.125 -7.305 1.00 0.47 C +ATOM 281 C LEU A 34 -4.108 -5.392 -7.331 1.00 0.40 C +ATOM 282 O LEU A 34 -4.911 -4.621 -6.852 1.00 0.37 O +ATOM 283 CB LEU A 34 -2.204 -4.539 -8.650 1.00 0.55 C +ATOM 284 CG LEU A 34 -0.749 -4.072 -8.606 1.00 0.64 C +ATOM 285 CD1 LEU A 34 -0.358 -3.503 -9.971 1.00 0.82 C +ATOM 286 CD2 LEU A 34 -0.590 -2.986 -7.539 1.00 0.61 C +ATOM 287 H01 LEU A 34 -1.471 -6.888 -7.888 1.00 0.48 H +ATOM 288 N ASP A 35 -4.469 -6.494 -7.911 1.00 0.39 N +ATOM 289 CA ASP A 35 -5.897 -6.886 -8.018 1.00 0.36 C +ATOM 290 C ASP A 35 -6.467 -7.173 -6.632 1.00 0.30 C +ATOM 291 O ASP A 35 -7.614 -6.894 -6.351 1.00 0.28 O +ATOM 292 CB ASP A 35 -5.975 -8.167 -8.833 1.00 0.38 C +ATOM 293 CG ASP A 35 -5.683 -7.865 -10.303 1.00 0.43 C +ATOM 294 OD1 ASP A 35 -6.344 -7.000 -10.853 1.00 1.24 O +ATOM 295 OD2 ASP A 35 -4.803 -8.506 -10.856 1.00 1.06 O1- +ATOM 296 H01 ASP A 35 -3.761 -7.101 -8.300 1.00 0.39 H +ATOM 297 N ALA A 36 -5.676 -7.742 -5.769 1.00 0.29 N +ATOM 298 CA ALA A 36 -6.180 -8.058 -4.401 1.00 0.25 C +ATOM 299 C ALA A 36 -6.124 -6.799 -3.563 1.00 0.22 C +ATOM 300 O ALA A 36 -7.111 -6.353 -3.016 1.00 0.22 O +ATOM 301 CB ALA A 36 -5.310 -9.125 -3.749 1.00 0.29 C +ATOM 302 H01 ALA A 36 -4.725 -7.969 -6.024 1.00 0.29 H +ATOM 303 N LEU A 37 -4.967 -6.217 -3.477 1.00 0.21 N +ATOM 304 CA LEU A 37 -4.820 -4.966 -2.697 1.00 0.19 C +ATOM 305 C LEU A 37 -5.987 -4.058 -3.064 1.00 0.16 C +ATOM 306 O LEU A 37 -6.706 -3.539 -2.224 1.00 0.16 O +ATOM 307 CB LEU A 37 -3.502 -4.299 -3.095 1.00 0.21 C +ATOM 308 CG LEU A 37 -3.539 -2.815 -2.724 1.00 0.20 C +ATOM 309 CD1 LEU A 37 -3.557 -2.667 -1.201 1.00 0.22 C +ATOM 310 CD2 LEU A 37 -2.302 -2.115 -3.290 1.00 0.24 C +ATOM 311 H01 LEU A 37 -4.165 -6.618 -3.943 1.00 0.21 H +ATOM 312 N TRP A 38 -6.173 -3.884 -4.333 1.00 0.17 N +ATOM 313 CA TRP A 38 -7.277 -3.046 -4.821 1.00 0.16 C +ATOM 314 C TRP A 38 -8.577 -3.613 -4.303 1.00 0.16 C +ATOM 315 O TRP A 38 -9.345 -2.951 -3.643 1.00 0.16 O +ATOM 316 CB TRP A 38 -7.315 -3.093 -6.341 1.00 0.18 C +ATOM 317 CG TRP A 38 -8.456 -2.267 -6.801 1.00 0.18 C +ATOM 318 CD1 TRP A 38 -9.708 -2.718 -6.963 1.00 0.21 C +ATOM 319 CD2 TRP A 38 -8.476 -0.860 -7.128 1.00 0.18 C +ATOM 320 CE2 TRP A 38 -9.785 -0.502 -7.508 1.00 0.20 C +ATOM 321 CE3 TRP A 38 -7.487 0.125 -7.138 1.00 0.17 C +ATOM 322 NE1 TRP A 38 -10.508 -1.672 -7.389 1.00 0.23 N +ATOM 323 CZ2 TRP A 38 -10.099 0.802 -7.885 1.00 0.22 C +ATOM 324 CZ3 TRP A 38 -7.785 1.430 -7.507 1.00 0.19 C +ATOM 325 H01 TRP A 38 -5.553 -4.329 -4.995 1.00 0.17 H +ATOM 326 N ASP A 39 -8.815 -4.850 -4.599 1.00 0.17 N +ATOM 327 CA ASP A 39 -10.061 -5.500 -4.130 1.00 0.18 C +ATOM 328 C ASP A 39 -10.283 -5.117 -2.672 1.00 0.18 C +ATOM 329 O ASP A 39 -11.394 -5.091 -2.182 1.00 0.21 O +ATOM 330 CB ASP A 39 -9.927 -7.017 -4.254 1.00 0.21 C +ATOM 331 CG ASP A 39 -10.613 -7.488 -5.537 1.00 0.29 C +ATOM 332 OD1 ASP A 39 -10.045 -7.286 -6.598 1.00 1.13 O +ATOM 333 OD2 ASP A 39 -11.695 -8.044 -5.438 1.00 1.06 O1- +ATOM 334 H01 ASP A 39 -8.150 -5.373 -5.151 1.00 0.17 H +ATOM 335 N CYS A 40 -9.222 -4.807 -1.977 1.00 0.17 N +ATOM 336 CA CYS A 40 -9.354 -4.412 -0.556 1.00 0.19 C +ATOM 337 C CYS A 40 -9.797 -2.948 -0.466 1.00 0.19 C +ATOM 338 O CYS A 40 -10.745 -2.623 0.218 1.00 0.23 O +ATOM 339 CB CYS A 40 -8.001 -4.580 0.132 1.00 0.21 C +ATOM 340 SG CYS A 40 -7.334 -6.221 -0.239 1.00 0.58 S +ATOM 341 H01 CYS A 40 -8.310 -4.837 -2.409 1.00 0.17 H +ATOM 342 N LEU A 41 -9.117 -2.057 -1.142 1.00 0.17 N +ATOM 343 CA LEU A 41 -9.497 -0.625 -1.076 1.00 0.18 C +ATOM 344 C LEU A 41 -10.943 -0.424 -1.548 1.00 0.21 C +ATOM 345 O LEU A 41 -11.729 0.247 -0.908 1.00 0.45 O +ATOM 346 CB LEU A 41 -8.562 0.173 -1.981 1.00 0.17 C +ATOM 347 CG LEU A 41 -7.117 -0.285 -1.776 1.00 0.19 C +ATOM 348 CD1 LEU A 41 -6.189 0.625 -2.567 1.00 0.18 C +ATOM 349 CD2 LEU A 41 -6.760 -0.219 -0.289 1.00 0.31 C +ATOM 350 H01 LEU A 41 -8.333 -2.345 -1.709 1.00 0.17 H +ATOM 351 N GLY A 43 -13.262 -2.363 -1.452 1.00 0.27 N +ATOM 352 CA GLY A 43 -14.258 -3.210 -0.729 1.00 0.31 C +ATOM 353 C GLY A 43 -13.627 -3.900 0.484 1.00 0.27 C +ATOM 354 O GLY A 43 -13.610 -5.112 0.574 1.00 0.32 O +ATOM 355 H01 GLY A 43 -13.625 -2.118 -2.362 1.00 0.27 H +ATOM 356 H02 GLY A 43 -13.086 -1.522 -0.921 1.00 0.27 H +ATOM 357 N TRP A 44 -13.125 -3.148 1.425 1.00 0.25 N +ATOM 358 CA TRP A 44 -12.519 -3.775 2.630 1.00 0.23 C +ATOM 359 C TRP A 44 -11.944 -2.689 3.540 1.00 0.23 C +ATOM 360 O TRP A 44 -12.415 -2.466 4.637 1.00 0.27 O +ATOM 361 CB TRP A 44 -11.402 -4.721 2.201 1.00 0.24 C +ATOM 362 CG TRP A 44 -10.808 -5.362 3.411 1.00 0.26 C +ATOM 363 CD1 TRP A 44 -9.735 -4.894 4.085 1.00 0.27 C +ATOM 364 CD2 TRP A 44 -11.233 -6.571 4.106 1.00 0.30 C +ATOM 365 CE2 TRP A 44 -10.366 -6.788 5.202 1.00 0.34 C +ATOM 366 CE3 TRP A 44 -12.274 -7.493 3.891 1.00 0.35 C +ATOM 367 NE1 TRP A 44 -9.470 -5.739 5.146 1.00 0.31 N +ATOM 368 CZ2 TRP A 44 -10.527 -7.879 6.058 1.00 0.41 C +ATOM 369 CZ3 TRP A 44 -12.439 -8.592 4.750 1.00 0.43 C +ATOM 370 H03 TRP A 44 -13.148 -2.142 1.335 1.00 0.25 H +ATOM 371 N VAL A 45 -10.925 -2.016 3.089 1.00 0.25 N +ATOM 372 CA VAL A 45 -10.304 -0.949 3.912 1.00 0.26 C +ATOM 373 C VAL A 45 -11.350 0.112 4.253 1.00 0.25 C +ATOM 374 O VAL A 45 -12.264 0.362 3.493 1.00 0.37 O +ATOM 375 CB VAL A 45 -9.165 -0.300 3.125 1.00 0.30 C +ATOM 376 CG1 VAL A 45 -8.436 0.706 4.017 1.00 0.42 C +ATOM 377 CG2 VAL A 45 -8.181 -1.377 2.661 1.00 0.28 C +ATOM 378 H01 VAL A 45 -10.554 -2.222 2.172 1.00 0.25 H +ATOM 379 N GLU A 46 -11.215 0.751 5.382 1.00 0.21 N +ATOM 380 CA GLU A 46 -12.197 1.808 5.755 1.00 0.23 C +ATOM 381 C GLU A 46 -11.566 3.177 5.505 1.00 0.22 C +ATOM 382 O GLU A 46 -10.440 3.435 5.880 1.00 0.22 O +ATOM 383 CB GLU A 46 -12.600 1.688 7.231 1.00 0.30 C +ATOM 384 CG GLU A 46 -11.576 0.848 7.993 1.00 1.31 C +ATOM 385 CD GLU A 46 -12.107 0.545 9.395 1.00 1.80 C +ATOM 386 OE1 GLU A 46 -13.089 -0.173 9.493 1.00 2.43 O +ATOM 387 OE2 GLU A 46 -11.524 1.036 10.347 1.00 2.28 O1- +ATOM 388 H01 GLU A 46 -10.448 0.530 6.001 1.00 0.21 H +ATOM 389 N TYR A 47 -12.285 4.047 4.861 1.00 0.22 N +ATOM 390 CA TYR A 47 -11.744 5.402 4.559 1.00 0.22 C +ATOM 391 C TYR A 47 -12.564 6.446 5.329 1.00 0.26 C +ATOM 392 O TYR A 47 -13.586 6.110 5.892 1.00 0.29 O +ATOM 393 CB TYR A 47 -11.851 5.623 3.045 1.00 0.24 C +ATOM 394 CG TYR A 47 -10.868 4.720 2.323 1.00 0.24 C +ATOM 395 CD1 TYR A 47 -9.830 4.081 3.021 1.00 1.25 C +ATOM 396 CD2 TYR A 47 -10.994 4.520 0.945 1.00 1.21 C +ATOM 397 CE1 TYR A 47 -8.935 3.251 2.342 1.00 1.27 C +ATOM 398 CE2 TYR A 47 -10.094 3.692 0.272 1.00 1.20 C +ATOM 399 CZ TYR A 47 -9.067 3.058 0.970 1.00 0.29 C +ATOM 400 H01 TYR A 47 -13.218 3.803 4.563 1.00 0.22 H +ATOM 401 N PRO A 48 -12.102 7.682 5.359 1.00 0.27 N +ATOM 402 CA PRO A 48 -10.858 8.134 4.685 1.00 0.25 C +ATOM 403 C PRO A 48 -9.620 7.409 5.219 1.00 0.22 C +ATOM 404 O PRO A 48 -9.455 7.234 6.406 1.00 0.30 O +ATOM 405 CB PRO A 48 -10.761 9.631 5.010 1.00 0.28 C +ATOM 406 CG PRO A 48 -11.970 10.004 5.902 1.00 0.33 C +ATOM 407 CD PRO A 48 -12.815 8.738 6.097 1.00 0.32 C +ATOM 408 N LEU A 49 -8.744 7.000 4.338 1.00 0.20 N +ATOM 409 CA LEU A 49 -7.502 6.298 4.775 1.00 0.19 C +ATOM 410 C LEU A 49 -6.301 7.182 4.462 1.00 0.19 C +ATOM 411 O LEU A 49 -6.335 7.998 3.567 1.00 0.20 O +ATOM 412 CB LEU A 49 -7.362 4.977 3.994 1.00 0.18 C +ATOM 413 CG LEU A 49 -5.885 4.560 3.861 1.00 0.17 C +ATOM 414 CD1 LEU A 49 -5.350 4.066 5.209 1.00 0.20 C +ATOM 415 CD2 LEU A 49 -5.759 3.447 2.816 1.00 0.16 C +ATOM 416 H01 LEU A 49 -8.909 7.161 3.355 1.00 0.20 H +ATOM 417 N VAL A 50 -5.222 6.985 5.157 1.00 0.21 N +ATOM 418 CA VAL A 50 -4.003 7.770 4.857 1.00 0.22 C +ATOM 419 C VAL A 50 -2.919 6.786 4.408 1.00 0.20 C +ATOM 420 O VAL A 50 -2.748 5.736 4.987 1.00 0.21 O +ATOM 421 CB VAL A 50 -3.555 8.555 6.114 1.00 0.26 C +ATOM 422 CG1 VAL A 50 -2.135 8.158 6.542 1.00 0.26 C +ATOM 423 CG2 VAL A 50 -3.567 10.051 5.802 1.00 0.29 C +ATOM 424 H01 VAL A 50 -5.214 6.300 5.899 1.00 0.21 H +ATOM 425 N LEU A 51 -2.167 7.122 3.409 1.00 0.19 N +ATOM 426 CA LEU A 51 -1.081 6.210 2.976 1.00 0.18 C +ATOM 427 C LEU A 51 0.228 6.969 3.109 1.00 0.18 C +ATOM 428 O LEU A 51 0.745 7.517 2.155 1.00 0.20 O +ATOM 429 CB LEU A 51 -1.267 5.748 1.523 1.00 0.17 C +ATOM 430 CG LEU A 51 -0.106 4.823 1.149 1.00 0.19 C +ATOM 431 CD1 LEU A 51 -0.195 3.543 1.973 1.00 0.21 C +ATOM 432 CD2 LEU A 51 -0.185 4.451 -0.328 1.00 0.18 C +ATOM 433 H01 LEU A 51 -2.319 7.998 2.929 1.00 0.19 H +ATOM 434 N GLU A 52 0.760 7.014 4.296 1.00 0.19 N +ATOM 435 CA GLU A 52 2.031 7.743 4.505 1.00 0.21 C +ATOM 436 C GLU A 52 3.158 6.861 3.988 1.00 0.19 C +ATOM 437 O GLU A 52 3.789 6.122 4.721 1.00 0.19 O +ATOM 438 CB GLU A 52 2.213 8.030 5.996 1.00 0.24 C +ATOM 439 CG GLU A 52 3.642 8.508 6.256 1.00 0.30 C +ATOM 440 CD GLU A 52 3.650 9.471 7.444 1.00 0.64 C +ATOM 441 OE1 GLU A 52 2.717 9.420 8.229 1.00 1.28 O +ATOM 442 OE2 GLU A 52 4.588 10.244 7.550 1.00 1.44 O1- +ATOM 443 H01 GLU A 52 0.307 6.553 5.072 1.00 0.19 H +ATOM 444 N TRP A 53 3.385 6.915 2.708 1.00 0.20 N +ATOM 445 CA TRP A 53 4.436 6.072 2.099 1.00 0.20 C +ATOM 446 C TRP A 53 5.813 6.694 2.321 1.00 0.24 C +ATOM 447 O TRP A 53 6.142 7.720 1.760 1.00 0.38 O +ATOM 448 CB TRP A 53 4.175 5.945 0.603 1.00 0.24 C +ATOM 449 CG TRP A 53 4.807 4.689 0.123 1.00 0.23 C +ATOM 450 CD1 TRP A 53 6.084 4.326 0.376 1.00 0.25 C +ATOM 451 CD2 TRP A 53 4.223 3.620 -0.671 1.00 0.21 C +ATOM 452 CE2 TRP A 53 5.210 2.627 -0.872 1.00 0.24 C +ATOM 453 CE3 TRP A 53 2.948 3.416 -1.234 1.00 0.21 C +ATOM 454 NE1 TRP A 53 6.325 3.103 -0.214 1.00 0.26 N +ATOM 455 CZ2 TRP A 53 4.946 1.474 -1.601 1.00 0.25 C +ATOM 456 CZ3 TRP A 53 2.684 2.251 -1.974 1.00 0.23 C +ATOM 457 H01 TRP A 53 2.840 7.536 2.127 1.00 0.20 H +ATOM 458 N ARG A 54 6.627 6.069 3.124 1.00 0.26 N +ATOM 459 CA ARG A 54 7.992 6.607 3.371 1.00 0.35 C +ATOM 460 C ARG A 54 8.988 5.823 2.515 1.00 0.49 C +ATOM 461 O ARG A 54 8.781 4.663 2.219 1.00 1.33 O +ATOM 462 CB ARG A 54 8.346 6.446 4.849 1.00 0.44 C +ATOM 463 CG ARG A 54 8.545 7.825 5.481 1.00 0.88 C +ATOM 464 CD ARG A 54 8.772 7.667 6.985 1.00 1.09 C +ATOM 465 NE ARG A 54 10.009 8.396 7.382 1.00 1.40 N +ATOM 466 CZ ARG A 54 10.254 8.632 8.637 1.00 1.87 C +ATOM 467 H01 ARG A 54 6.331 5.218 3.580 1.00 0.26 H +ATOM 468 N GLN A 55 10.062 6.439 2.107 1.00 0.53 N +ATOM 469 CA GLN A 55 11.050 5.709 1.264 1.00 0.46 C +ATOM 470 C GLN A 55 10.308 5.032 0.111 1.00 0.53 C +ATOM 471 O GLN A 55 10.193 3.826 0.056 1.00 1.30 O +ATOM 472 CB GLN A 55 11.759 4.650 2.111 1.00 0.55 C +ATOM 473 CG GLN A 55 13.251 4.974 2.186 1.00 1.05 C +ATOM 474 CD GLN A 55 13.542 5.750 3.472 1.00 1.22 C +ATOM 475 NE2 GLN A 55 14.698 6.338 3.616 1.00 1.89 N +ATOM 476 OE1 GLN A 55 12.710 5.822 4.354 1.00 1.82 O +ATOM 477 H01 GLN A 55 10.223 7.403 2.360 1.00 0.53 H +ATOM 478 N GLU A 57 10.824 5.355 -3.595 1.00 0.67 N +ATOM 479 CA GLU A 57 11.784 4.768 -4.576 1.00 0.65 C +ATOM 480 C GLU A 57 12.637 3.708 -3.882 1.00 0.58 C +ATOM 481 O GLU A 57 13.002 2.709 -4.467 1.00 0.58 O +ATOM 482 CB GLU A 57 12.703 5.861 -5.118 1.00 0.80 C +ATOM 483 CG GLU A 57 11.991 6.634 -6.229 1.00 1.16 C +ATOM 484 CD GLU A 57 12.794 7.891 -6.571 1.00 1.75 C +ATOM 485 OE1 GLU A 57 13.812 8.110 -5.935 1.00 2.34 O +ATOM 486 OE2 GLU A 57 12.378 8.612 -7.462 1.00 2.41 O1- +ATOM 487 H01 GLU A 57 11.203 5.273 -2.662 1.00 0.67 H +ATOM 488 H02 GLU A 57 10.673 6.329 -3.813 1.00 0.67 H +ATOM 489 N GLN A 58 12.961 3.924 -2.638 1.00 0.58 N +ATOM 490 CA GLN A 58 13.786 2.942 -1.899 1.00 0.60 C +ATOM 491 C GLN A 58 12.982 1.655 -1.731 1.00 0.53 C +ATOM 492 O GLN A 58 13.524 0.569 -1.730 1.00 0.56 O +ATOM 493 CB GLN A 58 14.158 3.516 -0.530 1.00 0.69 C +ATOM 494 CG GLN A 58 15.064 4.735 -0.723 1.00 0.94 C +ATOM 495 CD GLN A 58 16.526 4.322 -0.542 1.00 1.56 C +ATOM 496 NE2 GLN A 58 17.472 5.114 -0.966 1.00 1.94 N +ATOM 497 OE1 GLN A 58 16.810 3.268 -0.008 1.00 2.34 O +ATOM 498 H03 GLN A 58 12.648 4.766 -2.176 1.00 0.58 H +ATOM 499 N SER A 59 11.685 1.773 -1.611 1.00 0.52 N +ATOM 500 CA SER A 59 10.829 0.560 -1.473 1.00 0.52 C +ATOM 501 C SER A 59 10.318 0.172 -2.859 1.00 0.44 C +ATOM 502 O SER A 59 9.371 -0.576 -3.002 1.00 0.48 O +ATOM 503 CB SER A 59 9.639 0.859 -0.562 1.00 0.65 C +ATOM 504 OG SER A 59 9.861 0.266 0.709 1.00 1.39 O +ATOM 505 H01 SER A 59 11.261 2.690 -1.612 1.00 0.52 H +ATOM 506 N LYS A 60 10.954 0.675 -3.881 1.00 0.41 N +ATOM 507 CA LYS A 60 10.532 0.342 -5.266 1.00 0.42 C +ATOM 508 C LYS A 60 11.614 -0.520 -5.922 1.00 0.44 C +ATOM 509 O LYS A 60 11.326 -1.436 -6.666 1.00 0.55 O +ATOM 510 CB LYS A 60 10.356 1.636 -6.062 1.00 0.51 C +ATOM 511 CG LYS A 60 9.518 1.361 -7.311 1.00 1.03 C +ATOM 512 CD LYS A 60 9.317 2.665 -8.084 1.00 1.61 C +ATOM 513 CE LYS A 60 9.529 2.412 -9.575 1.00 2.36 C +ATOM 514 NZ LYS A 60 10.507 3.397 -10.112 1.00 3.11 N1+ +ATOM 515 H01 LYS A 60 11.738 1.294 -3.730 1.00 0.41 H +ATOM 516 N GLN A 61 12.860 -0.228 -5.655 1.00 0.51 N +ATOM 517 CA GLN A 61 13.963 -1.020 -6.264 1.00 0.62 C +ATOM 518 C GLN A 61 14.010 -2.425 -5.651 1.00 0.60 C +ATOM 519 O GLN A 61 13.841 -3.416 -6.332 1.00 0.66 O +ATOM 520 CB GLN A 61 15.297 -0.315 -6.006 1.00 0.73 C +ATOM 521 CG GLN A 61 15.326 1.021 -6.751 1.00 1.14 C +ATOM 522 CD GLN A 61 16.704 1.221 -7.385 1.00 1.66 C +ATOM 523 NE2 GLN A 61 17.024 2.390 -7.868 1.00 2.39 N +ATOM 524 OE1 GLN A 61 17.499 0.303 -7.440 1.00 2.16 O +ATOM 525 H01 GLN A 61 13.075 0.538 -5.033 1.00 0.51 H +ATOM 526 N LEU A 62 14.264 -2.497 -4.372 1.00 0.64 N +ATOM 527 CA LEU A 62 14.358 -3.820 -3.661 1.00 0.71 C +ATOM 528 C LEU A 62 13.391 -4.833 -4.276 1.00 0.67 C +ATOM 529 O LEU A 62 13.653 -6.019 -4.302 1.00 0.94 O +ATOM 530 CB LEU A 62 13.995 -3.678 -2.170 1.00 0.78 C +ATOM 531 CG LEU A 62 13.609 -2.241 -1.817 1.00 0.78 C +ATOM 532 CD1 LEU A 62 12.330 -1.844 -2.561 1.00 0.66 C +ATOM 533 CD2 LEU A 62 13.367 -2.146 -0.310 1.00 0.94 C +ATOM 534 H01 LEU A 62 14.401 -1.645 -3.848 1.00 0.64 H +ATOM 535 N GLU A 64 11.921 -4.721 -7.629 1.00 0.95 N +ATOM 536 CA GLU A 64 11.731 -4.227 -9.035 1.00 1.21 C +ATOM 537 C GLU A 64 10.247 -4.117 -9.389 1.00 1.18 C +ATOM 538 O GLU A 64 9.570 -5.108 -9.578 1.00 1.53 O +ATOM 539 CB GLU A 64 12.403 -5.214 -9.993 1.00 1.55 C +ATOM 540 CG GLU A 64 12.903 -4.472 -11.231 1.00 1.91 C +ATOM 541 CD GLU A 64 14.052 -5.257 -11.865 1.00 2.44 C +ATOM 542 OE1 GLU A 64 14.291 -6.373 -11.432 1.00 3.09 O +ATOM 543 OE2 GLU A 64 14.675 -4.730 -12.771 1.00 2.79 O1- +ATOM 544 H01 GLU A 64 11.033 -4.719 -7.148 1.00 0.95 H +ATOM 545 H02 GLU A 64 12.291 -5.660 -7.649 1.00 0.95 H +ATOM 546 N ASN A 65 9.732 -2.920 -9.470 1.00 1.70 N +ATOM 547 CA ASN A 65 8.289 -2.761 -9.802 1.00 1.68 C +ATOM 548 C ASN A 65 7.456 -3.157 -8.582 1.00 0.85 C +ATOM 549 O ASN A 65 6.375 -3.697 -8.706 1.00 1.09 O +ATOM 550 CB ASN A 65 7.944 -3.685 -10.974 1.00 2.27 C +ATOM 551 CG ASN A 65 6.828 -3.063 -11.814 1.00 2.89 C +ATOM 552 ND2 ASN A 65 5.844 -3.815 -12.224 1.00 3.66 N +ATOM 553 OD1 ASN A 65 6.854 -1.884 -12.103 1.00 3.24 O +ATOM 554 H03 ASN A 65 10.309 -2.107 -9.308 1.00 1.70 H +ATOM 555 N GLY A 66 7.968 -2.928 -7.401 1.00 0.56 N +ATOM 556 CA GLY A 66 7.225 -3.330 -6.177 1.00 1.20 C +ATOM 557 C GLY A 66 6.279 -2.227 -5.680 1.00 0.91 C +ATOM 558 O GLY A 66 5.073 -2.381 -5.677 1.00 1.26 O +ATOM 559 H01 GLY A 66 8.869 -2.478 -7.320 1.00 0.56 H +ATOM 560 N ALA A 67 6.826 -1.155 -5.185 1.00 0.39 N +ATOM 561 CA ALA A 67 5.996 -0.071 -4.590 1.00 0.46 C +ATOM 562 C ALA A 67 5.313 0.846 -5.615 1.00 0.34 C +ATOM 563 O ALA A 67 4.352 1.513 -5.286 1.00 0.53 O +ATOM 564 CB ALA A 67 6.909 0.777 -3.713 1.00 0.64 C +ATOM 565 H01 ALA A 67 7.831 -1.056 -5.205 1.00 0.39 H +ATOM 566 N GLU A 68 5.778 0.935 -6.823 1.00 0.27 N +ATOM 567 CA GLU A 68 5.129 1.851 -7.769 1.00 0.38 C +ATOM 568 C GLU A 68 3.751 1.292 -8.176 1.00 0.39 C +ATOM 569 O GLU A 68 2.884 2.021 -8.617 1.00 0.49 O +ATOM 570 CB GLU A 68 6.069 2.020 -8.971 1.00 0.51 C +ATOM 571 CG GLU A 68 5.274 2.020 -10.258 1.00 1.38 C +ATOM 572 CD GLU A 68 6.148 2.521 -11.410 1.00 1.57 C +ATOM 573 OE1 GLU A 68 6.989 3.370 -11.165 1.00 1.83 O +ATOM 574 OE2 GLU A 68 5.961 2.047 -12.518 1.00 2.27 O1- +ATOM 575 H01 GLU A 68 6.574 0.383 -7.108 1.00 0.27 H +ATOM 576 N SER A 69 3.544 0.011 -8.034 1.00 0.39 N +ATOM 577 CA SER A 69 2.227 -0.585 -8.417 1.00 0.47 C +ATOM 578 C SER A 69 1.196 -0.382 -7.297 1.00 0.37 C +ATOM 579 O SER A 69 0.120 0.157 -7.510 1.00 0.35 O +ATOM 580 CB SER A 69 2.405 -2.082 -8.669 1.00 0.58 C +ATOM 581 OG SER A 69 2.127 -2.366 -10.033 1.00 0.90 O +ATOM 582 H01 SER A 69 4.275 -0.579 -7.664 1.00 0.39 H +ATOM 583 N VAL A 70 1.509 -0.818 -6.106 1.00 0.34 N +ATOM 584 CA VAL A 70 0.544 -0.662 -4.984 1.00 0.27 C +ATOM 585 C VAL A 70 0.107 0.793 -4.912 1.00 0.20 C +ATOM 586 O VAL A 70 -1.057 1.098 -4.748 1.00 0.20 O +ATOM 587 CB VAL A 70 1.215 -1.063 -3.671 1.00 0.31 C +ATOM 588 CG1 VAL A 70 0.288 -0.737 -2.499 1.00 0.29 C +ATOM 589 CG2 VAL A 70 1.504 -2.565 -3.687 1.00 0.41 C +ATOM 590 H01 VAL A 70 2.403 -1.260 -5.947 1.00 0.34 H +ATOM 591 N LEU A 71 1.033 1.696 -5.048 1.00 0.24 N +ATOM 592 CA LEU A 71 0.663 3.134 -5.002 1.00 0.23 C +ATOM 593 C LEU A 71 -0.340 3.411 -6.113 1.00 0.23 C +ATOM 594 O LEU A 71 -1.335 4.061 -5.909 1.00 0.23 O +ATOM 595 CB LEU A 71 1.897 3.996 -5.229 1.00 0.30 C +ATOM 596 CG LEU A 71 1.476 5.464 -5.305 1.00 0.35 C +ATOM 597 CD1 LEU A 71 1.177 5.986 -3.899 1.00 0.36 C +ATOM 598 CD2 LEU A 71 2.605 6.290 -5.924 1.00 0.43 C +ATOM 599 H01 LEU A 71 1.996 1.422 -5.184 1.00 0.24 H +ATOM 600 N GLN A 72 -0.083 2.914 -7.289 1.00 0.28 N +ATOM 601 CA GLN A 72 -1.027 3.138 -8.419 1.00 0.30 C +ATOM 602 C GLN A 72 -2.417 2.716 -7.977 1.00 0.25 C +ATOM 603 O GLN A 72 -3.408 3.314 -8.334 1.00 0.25 O +ATOM 604 CB GLN A 72 -0.583 2.279 -9.617 1.00 0.35 C +ATOM 605 CG GLN A 72 -1.789 1.868 -10.473 1.00 1.18 C +ATOM 606 CD GLN A 72 -1.304 1.317 -11.813 1.00 1.42 C +ATOM 607 NE2 GLN A 72 -1.144 0.029 -11.955 1.00 1.97 N +ATOM 608 OE1 GLN A 72 -1.069 2.064 -12.742 1.00 1.78 O +ATOM 609 H01 GLN A 72 0.759 2.375 -7.435 1.00 0.28 H +ATOM 610 N VAL A 73 -2.487 1.666 -7.230 1.00 0.23 N +ATOM 611 CA VAL A 73 -3.797 1.162 -6.774 1.00 0.20 C +ATOM 612 C VAL A 73 -4.352 2.055 -5.661 1.00 0.16 C +ATOM 613 O VAL A 73 -5.547 2.201 -5.514 1.00 0.16 O +ATOM 614 CB VAL A 73 -3.590 -0.254 -6.268 1.00 0.21 C +ATOM 615 CG1 VAL A 73 -4.840 -0.752 -5.547 1.00 0.20 C +ATOM 616 CG2 VAL A 73 -3.258 -1.151 -7.468 1.00 0.26 C +ATOM 617 H01 VAL A 73 -1.641 1.187 -6.956 1.00 0.23 H +ATOM 618 N ARG A 75 -3.859 5.334 -5.388 1.00 0.19 N +ATOM 619 CA ARG A 75 -4.271 6.610 -6.018 1.00 0.23 C +ATOM 620 C ARG A 75 -5.453 6.341 -6.929 1.00 0.24 C +ATOM 621 O ARG A 75 -6.368 7.124 -7.030 1.00 0.33 O +ATOM 622 CB ARG A 75 -3.119 7.150 -6.851 1.00 0.26 C +ATOM 623 CG ARG A 75 -1.995 7.625 -5.930 1.00 0.54 C +ATOM 624 CD ARG A 75 -1.790 9.130 -6.107 1.00 1.28 C +ATOM 625 NE ARG A 75 -1.186 9.394 -7.445 1.00 1.38 N +ATOM 626 CZ ARG A 75 -1.177 10.604 -7.930 1.00 1.76 C +ATOM 627 H01 ARG A 75 -4.590 5.011 -4.771 1.00 0.19 H +ATOM 628 H02 ARG A 75 -3.693 4.642 -6.105 1.00 0.19 H +ATOM 629 N GLU A 76 -5.429 5.219 -7.581 1.00 0.22 N +ATOM 630 CA GLU A 76 -6.544 4.838 -8.482 1.00 0.23 C +ATOM 631 C GLU A 76 -7.787 4.692 -7.616 1.00 0.21 C +ATOM 632 O GLU A 76 -8.839 5.219 -7.917 1.00 0.23 O +ATOM 633 CB GLU A 76 -6.206 3.501 -9.129 1.00 0.24 C +ATOM 634 CG GLU A 76 -5.555 3.723 -10.494 1.00 0.30 C +ATOM 635 CD GLU A 76 -6.631 4.058 -11.527 1.00 0.89 C +ATOM 636 OE1 GLU A 76 -7.781 3.734 -11.282 1.00 1.65 O +ATOM 637 OE2 GLU A 76 -6.286 4.632 -12.547 1.00 1.48 O1- +ATOM 638 H03 GLU A 76 -4.641 4.597 -7.473 1.00 0.22 H +ATOM 639 N ALA A 77 -7.653 4.005 -6.512 1.00 0.18 N +ATOM 640 CA ALA A 77 -8.796 3.857 -5.591 1.00 0.17 C +ATOM 641 C ALA A 77 -9.143 5.259 -5.113 1.00 0.19 C +ATOM 642 O ALA A 77 -10.294 5.632 -5.003 1.00 0.20 O +ATOM 643 CB ALA A 77 -8.403 2.975 -4.403 1.00 0.17 C +ATOM 644 H01 ALA A 77 -6.766 3.575 -6.289 1.00 0.18 H +ATOM 645 N LYS A 78 -8.133 6.059 -4.876 1.00 0.21 N +ATOM 646 CA LYS A 78 -8.377 7.464 -4.462 1.00 0.24 C +ATOM 647 C LYS A 78 -9.200 8.121 -5.560 1.00 0.28 C +ATOM 648 O LYS A 78 -9.990 9.016 -5.336 1.00 0.32 O +ATOM 649 CB LYS A 78 -7.038 8.187 -4.372 1.00 0.26 C +ATOM 650 CG LYS A 78 -7.077 9.218 -3.247 1.00 0.32 C +ATOM 651 CD LYS A 78 -7.173 10.619 -3.855 1.00 0.70 C +ATOM 652 CE LYS A 78 -7.216 11.663 -2.738 1.00 0.99 C +ATOM 653 NZ LYS A 78 -6.353 12.821 -3.109 1.00 1.50 N1+ +ATOM 654 H01 LYS A 78 -7.187 5.720 -4.975 1.00 0.21 H +ATOM 655 N ALA A 79 -8.984 7.664 -6.756 1.00 0.28 N +ATOM 656 CA ALA A 79 -9.690 8.204 -7.933 1.00 0.33 C +ATOM 657 C ALA A 79 -11.110 7.645 -7.972 1.00 0.32 C +ATOM 658 O ALA A 79 -12.027 8.262 -8.477 1.00 0.38 O +ATOM 659 CB ALA A 79 -8.920 7.757 -9.173 1.00 0.35 C +ATOM 660 H01 ALA A 79 -8.314 6.919 -6.884 1.00 0.28 H +ATOM 661 N GLU A 80 -11.285 6.472 -7.440 1.00 0.28 N +ATOM 662 CA GLU A 80 -12.620 5.829 -7.425 1.00 0.29 C +ATOM 663 C GLU A 80 -13.585 6.626 -6.544 1.00 0.37 C +ATOM 664 O GLU A 80 -14.762 6.332 -6.476 1.00 0.68 O +ATOM 665 CB GLU A 80 -12.466 4.417 -6.865 1.00 0.32 C +ATOM 666 CG GLU A 80 -12.076 3.469 -7.995 1.00 0.45 C +ATOM 667 CD GLU A 80 -13.336 2.876 -8.627 1.00 0.67 C +ATOM 668 OE1 GLU A 80 -13.927 3.543 -9.460 1.00 1.40 O +ATOM 669 OE2 GLU A 80 -13.688 1.764 -8.269 1.00 1.30 O1- +ATOM 670 H01 GLU A 80 -10.498 5.991 -7.030 1.00 0.28 H +ATOM 671 N GLY A 81 -13.098 7.621 -5.858 1.00 0.39 N +ATOM 672 CA GLY A 81 -13.987 8.421 -4.973 1.00 0.45 C +ATOM 673 C GLY A 81 -13.572 8.186 -3.522 1.00 0.39 C +ATOM 674 O GLY A 81 -13.963 8.908 -2.626 1.00 0.45 O +ATOM 675 H01 GLY A 81 -12.117 7.849 -5.927 1.00 0.39 H +ATOM 676 N CYS A 82 -12.776 7.179 -3.288 1.00 0.41 N +ATOM 677 CA CYS A 82 -12.322 6.888 -1.905 1.00 0.38 C +ATOM 678 C CYS A 82 -11.476 8.057 -1.395 1.00 0.38 C +ATOM 679 O CYS A 82 -10.977 8.854 -2.164 1.00 0.49 O +ATOM 680 CB CYS A 82 -11.480 5.614 -1.920 1.00 0.39 C +ATOM 681 SG CYS A 82 -12.566 4.168 -1.820 1.00 0.63 S +ATOM 682 H01 CYS A 82 -12.467 6.595 -4.052 1.00 0.41 H +ATOM 683 N ASP A 83 -11.316 8.173 -0.105 1.00 0.32 N +ATOM 684 CA ASP A 83 -10.510 9.298 0.444 1.00 0.37 C +ATOM 685 C ASP A 83 -9.188 8.769 1.009 1.00 0.36 C +ATOM 686 O ASP A 83 -8.935 8.844 2.195 1.00 0.57 O +ATOM 687 CB ASP A 83 -11.305 9.984 1.553 1.00 0.42 C +ATOM 688 CG ASP A 83 -10.709 11.364 1.834 1.00 0.53 C +ATOM 689 OD1 ASP A 83 -9.782 11.437 2.624 1.00 1.11 O +ATOM 690 OD2 ASP A 83 -11.191 12.324 1.255 1.00 1.30 O1- +ATOM 691 H01 ASP A 83 -11.738 7.501 0.520 1.00 0.32 H +ATOM 692 N ILE A 84 -8.339 8.244 0.168 1.00 0.33 N +ATOM 693 CA ILE A 84 -7.028 7.720 0.652 1.00 0.31 C +ATOM 694 C ILE A 84 -5.965 8.818 0.503 1.00 0.34 C +ATOM 695 O ILE A 84 -5.289 8.905 -0.503 1.00 0.67 O +ATOM 696 CB ILE A 84 -6.622 6.513 -0.191 1.00 0.30 C +ATOM 697 CG1 ILE A 84 -7.546 5.345 0.117 1.00 0.50 C +ATOM 698 CG2 ILE A 84 -5.182 6.114 0.131 1.00 0.28 C +ATOM 699 CD1 ILE A 84 -8.049 4.762 -1.198 1.00 0.34 C +ATOM 700 H01 ILE A 84 -8.570 8.192 -0.814 1.00 0.33 H +ATOM 701 N ILE A 86 -3.051 10.211 -0.200 1.00 0.41 N +ATOM 702 CA ILE A 86 -1.727 9.654 -0.602 1.00 0.40 C +ATOM 703 C ILE A 86 -0.610 10.583 -0.118 1.00 0.44 C +ATOM 704 O ILE A 86 -0.489 11.706 -0.564 1.00 0.59 O +ATOM 705 CB ILE A 86 -1.665 9.540 -2.126 1.00 0.38 C +ATOM 706 CG1 ILE A 86 -2.821 8.668 -2.620 1.00 0.74 C +ATOM 707 CG2 ILE A 86 -0.331 8.915 -2.540 1.00 0.93 C +ATOM 708 CD1 ILE A 86 -2.613 7.223 -2.166 1.00 0.32 C +ATOM 709 H01 ILE A 86 -2.989 10.585 0.736 1.00 0.41 H +ATOM 710 H02 ILE A 86 -3.316 10.946 -0.840 1.00 0.41 H +ATOM 711 N ILE A 87 0.212 10.123 0.786 1.00 0.39 N +ATOM 712 CA ILE A 87 1.322 10.982 1.287 1.00 0.44 C +ATOM 713 C ILE A 87 2.659 10.368 0.860 1.00 0.44 C +ATOM 714 O ILE A 87 3.132 9.413 1.442 1.00 0.55 O +ATOM 715 CB ILE A 87 1.247 11.073 2.813 1.00 0.46 C +ATOM 716 CG1 ILE A 87 0.091 11.995 3.208 1.00 0.57 C +ATOM 717 CG2 ILE A 87 2.556 11.640 3.362 1.00 0.55 C +ATOM 718 CD1 ILE A 87 -0.237 11.800 4.689 1.00 0.61 C +ATOM 719 H03 ILE A 87 0.096 9.186 1.145 1.00 0.39 H +ATOM 720 N LEU A 88 3.259 10.902 -0.170 1.00 0.50 N +ATOM 721 CA LEU A 88 4.552 10.348 -0.662 1.00 0.52 C +ATOM 722 C LEU A 88 5.728 11.146 -0.093 1.00 0.56 C +ATOM 723 O LEU A 88 5.984 12.263 -0.495 1.00 0.80 O +ATOM 724 CB LEU A 88 4.558 10.413 -2.173 1.00 0.59 C +ATOM 725 CG LEU A 88 3.653 9.297 -2.669 1.00 0.82 C +ATOM 726 CD1 LEU A 88 2.691 9.851 -3.697 1.00 0.94 C +ATOM 727 CD2 LEU A 88 4.496 8.193 -3.286 1.00 1.57 C +ATOM 728 H01 LEU A 88 2.844 11.696 -0.636 1.00 0.50 H +ATOM 729 N SER A 89 6.445 10.581 0.841 1.00 0.55 N +ATOM 730 CA SER A 89 7.604 11.308 1.435 1.00 0.62 C +ATOM 731 C SER A 89 8.908 10.659 0.968 1.00 0.85 C +ATOM 732 O SER A 89 8.935 9.445 0.852 1.00 1.41 O +ATOM 733 CB SER A 89 7.520 11.241 2.961 1.00 0.87 C +ATOM 734 OG SER A 89 7.246 12.538 3.473 1.00 1.64 O +ATOM 735 OXT SER A 89 9.859 11.388 0.735 1.00 1.52 O1- +ATOM 736 H01 SER A 89 6.215 9.651 1.161 1.00 0.55 H +TER +END diff --git a/data/old2.pdb b/data/old2.pdb new file mode 100644 index 0000000..982503a --- /dev/null +++ b/data/old2.pdb @@ -0,0 +1,810 @@ +ATOM 1 N LYS A 1 -8.655 5.770 8.371 1.00 1.40 N +ATOM 2 CA LYS A 1 -7.542 5.187 9.163 1.00 0.52 C +ATOM 3 C LYS A 1 -6.210 5.619 8.561 1.00 0.39 C +ATOM 4 O LYS A 1 -6.156 6.468 7.693 1.00 0.33 O +ATOM 5 CB LYS A 1 -7.641 3.666 9.159 1.00 1.53 C +ATOM 6 CG LYS A 1 -7.750 3.179 10.602 1.00 2.38 C +ATOM 7 CD LYS A 1 -9.158 3.466 11.126 1.00 3.11 C +ATOM 8 CE LYS A 1 -9.145 4.744 11.965 1.00 3.58 C +ATOM 9 NZ LYS A 1 -9.497 4.416 13.375 1.00 4.21 N1+ +ATOM 10 H01 LYS A 1 -8.337 6.612 7.912 1.00 1.40 H +ATOM 11 H02 LYS A 1 -8.961 5.103 7.677 1.00 1.40 H +ATOM 12 N LYS A 2 -5.128 5.066 9.028 1.00 0.51 N +ATOM 13 CA LYS A 2 -3.813 5.485 8.490 1.00 0.44 C +ATOM 14 C LYS A 2 -2.931 4.277 8.172 1.00 0.41 C +ATOM 15 O LYS A 2 -3.040 3.218 8.757 1.00 0.58 O +ATOM 16 CB LYS A 2 -3.138 6.383 9.534 1.00 0.63 C +ATOM 17 CG LYS A 2 -1.624 6.134 9.604 1.00 1.04 C +ATOM 18 CD LYS A 2 -0.967 7.224 10.453 1.00 0.93 C +ATOM 19 CE LYS A 2 0.116 7.929 9.634 1.00 0.63 C +ATOM 20 NZ LYS A 2 1.057 8.630 10.551 1.00 1.43 N1+ +ATOM 21 H03 LYS A 2 -5.184 4.360 9.748 1.00 0.51 H +ATOM 22 N ALA A 3 -2.040 4.474 7.250 1.00 0.27 N +ATOM 23 CA ALA A 3 -1.086 3.403 6.848 1.00 0.30 C +ATOM 24 C ALA A 3 0.316 4.013 6.751 1.00 0.30 C +ATOM 25 O ALA A 3 0.469 5.207 6.586 1.00 0.54 O +ATOM 26 CB ALA A 3 -1.491 2.834 5.486 1.00 0.34 C +ATOM 27 H01 ALA A 3 -1.992 5.374 6.794 1.00 0.27 H +ATOM 28 N VAL A 4 1.342 3.214 6.860 1.00 0.30 N +ATOM 29 CA VAL A 4 2.725 3.769 6.780 1.00 0.27 C +ATOM 30 C VAL A 4 3.643 2.773 6.074 1.00 0.26 C +ATOM 31 O VAL A 4 3.842 1.667 6.535 1.00 0.33 O +ATOM 32 CB VAL A 4 3.250 4.021 8.194 1.00 0.30 C +ATOM 33 CG1 VAL A 4 4.617 4.709 8.122 1.00 0.35 C +ATOM 34 CG2 VAL A 4 2.262 4.915 8.946 1.00 0.35 C +ATOM 35 H01 VAL A 4 1.201 2.224 6.998 1.00 0.30 H +ATOM 36 N ILE A 5 4.210 3.153 4.961 1.00 0.23 N +ATOM 37 CA ILE A 5 5.117 2.213 4.245 1.00 0.23 C +ATOM 38 C ILE A 5 6.570 2.567 4.552 1.00 0.25 C +ATOM 39 O ILE A 5 7.176 3.388 3.893 1.00 0.27 O +ATOM 40 CB ILE A 5 4.879 2.300 2.742 1.00 0.23 C +ATOM 41 CG1 ILE A 5 3.360 2.231 2.478 1.00 0.23 C +ATOM 42 CG2 ILE A 5 5.620 1.142 2.061 1.00 0.24 C +ATOM 43 CD1 ILE A 5 3.034 1.246 1.346 1.00 0.22 C +ATOM 44 H01 ILE A 5 4.035 4.076 4.589 1.00 0.23 H +ATOM 45 N ASN A 6 7.134 1.947 5.547 1.00 0.27 N +ATOM 46 CA ASN A 6 8.545 2.232 5.905 1.00 0.31 C +ATOM 47 C ASN A 6 9.466 1.399 5.009 1.00 0.31 C +ATOM 48 O ASN A 6 9.611 0.207 5.189 1.00 0.35 O +ATOM 49 CB ASN A 6 8.759 1.859 7.370 1.00 0.37 C +ATOM 50 CG ASN A 6 8.067 2.890 8.264 1.00 0.65 C +ATOM 51 ND2 ASN A 6 8.054 2.711 9.557 1.00 1.13 N +ATOM 52 OD1 ASN A 6 7.534 3.869 7.782 1.00 1.48 O +ATOM 53 H01 ASN A 6 6.608 1.268 6.079 1.00 0.27 H +ATOM 54 N GLY A 7 10.078 2.017 4.035 1.00 0.33 N +ATOM 55 CA GLY A 7 10.976 1.261 3.114 1.00 0.36 C +ATOM 56 C GLY A 7 12.182 0.718 3.879 1.00 0.35 C +ATOM 57 O GLY A 7 12.583 -0.414 3.694 1.00 0.46 O +ATOM 58 H01 GLY A 7 9.943 3.009 3.905 1.00 0.33 H +ATOM 59 N GLU A 8 12.767 1.509 4.735 1.00 0.38 N +ATOM 60 CA GLU A 8 13.946 1.022 5.505 1.00 0.43 C +ATOM 61 C GLU A 8 13.659 -0.390 6.019 1.00 0.39 C +ATOM 62 O GLU A 8 14.559 -1.170 6.260 1.00 0.45 O +ATOM 63 CB GLU A 8 14.207 1.950 6.696 1.00 0.53 C +ATOM 64 CG GLU A 8 14.064 3.409 6.256 1.00 1.39 C +ATOM 65 CD GLU A 8 14.660 4.324 7.328 1.00 1.74 C +ATOM 66 OE1 GLU A 8 14.225 4.232 8.464 1.00 2.30 O +ATOM 67 OE2 GLU A 8 15.540 5.100 6.994 1.00 2.19 O1- +ATOM 68 H01 GLU A 8 12.422 2.448 4.875 1.00 0.38 H +ATOM 69 N GLN A 9 12.408 -0.720 6.195 1.00 0.35 N +ATOM 70 CA GLN A 9 12.051 -2.069 6.699 1.00 0.38 C +ATOM 71 C GLN A 9 11.745 -3.001 5.523 1.00 0.35 C +ATOM 72 O GLN A 9 12.213 -4.121 5.468 1.00 0.40 O +ATOM 73 CB GLN A 9 10.811 -1.937 7.578 1.00 0.43 C +ATOM 74 CG GLN A 9 11.027 -0.819 8.600 1.00 0.50 C +ATOM 75 CD GLN A 9 11.790 -1.365 9.805 1.00 1.06 C +ATOM 76 NE2 GLN A 9 11.151 -2.059 10.705 1.00 1.49 N +ATOM 77 OE1 GLN A 9 12.979 -1.155 9.931 1.00 1.97 O +ATOM 78 H01 GLN A 9 11.679 -0.053 5.987 1.00 0.35 H +ATOM 79 N ILE A 10 10.952 -2.550 4.591 1.00 0.32 N +ATOM 80 CA ILE A 10 10.597 -3.408 3.424 1.00 0.34 C +ATOM 81 C ILE A 10 11.825 -4.171 2.934 1.00 0.31 C +ATOM 82 O ILE A 10 12.893 -3.617 2.765 1.00 0.35 O +ATOM 83 CB ILE A 10 10.059 -2.546 2.281 1.00 0.37 C +ATOM 84 CG1 ILE A 10 8.683 -2.005 2.655 1.00 0.51 C +ATOM 85 CG2 ILE A 10 9.933 -3.402 1.018 1.00 0.35 C +ATOM 86 CD1 ILE A 10 7.689 -3.158 2.715 1.00 0.78 C +ATOM 87 H01 ILE A 10 10.576 -1.615 4.660 1.00 0.32 H +ATOM 88 N ARG A 11 11.668 -5.440 2.692 1.00 0.33 N +ATOM 89 CA ARG A 11 12.794 -6.261 2.200 1.00 0.37 C +ATOM 90 C ARG A 11 12.423 -6.834 0.830 1.00 0.39 C +ATOM 91 O ARG A 11 13.251 -7.368 0.120 1.00 0.48 O +ATOM 92 CB ARG A 11 13.035 -7.400 3.184 1.00 0.50 C +ATOM 93 CG ARG A 11 13.677 -6.844 4.458 1.00 0.57 C +ATOM 94 CD ARG A 11 15.105 -7.376 4.589 1.00 1.27 C +ATOM 95 NE ARG A 11 15.489 -7.404 6.030 1.00 1.87 N +ATOM 96 CZ ARG A 11 16.544 -8.065 6.417 1.00 2.53 C +ATOM 97 NH1 ARG A 11 16.881 -9.170 5.815 1.00 3.26 N1+ +ATOM 98 NH2 ARG A 11 17.261 -7.620 7.412 1.00 2.99 N +ATOM 99 H01 ARG A 11 10.766 -5.869 2.842 1.00 0.33 H +ATOM 100 N SER A 12 11.174 -6.725 0.458 1.00 0.37 N +ATOM 101 CA SER A 12 10.732 -7.258 -0.860 1.00 0.45 C +ATOM 102 C SER A 12 9.270 -6.869 -1.096 1.00 0.42 C +ATOM 103 O SER A 12 8.619 -6.289 -0.242 1.00 0.37 O +ATOM 104 CB SER A 12 10.862 -8.781 -0.865 1.00 0.56 C +ATOM 105 OG SER A 12 11.282 -9.221 0.419 1.00 1.44 O +ATOM 106 H01 SER A 12 10.506 -6.277 1.068 1.00 0.37 H +ATOM 107 N ILE A 13 8.741 -7.185 -2.245 1.00 0.47 N +ATOM 108 CA ILE A 13 7.324 -6.831 -2.520 1.00 0.46 C +ATOM 109 C ILE A 13 6.445 -7.446 -1.435 1.00 0.41 C +ATOM 110 O ILE A 13 5.579 -6.799 -0.887 1.00 0.36 O +ATOM 111 CB ILE A 13 6.908 -7.370 -3.892 1.00 0.56 C +ATOM 112 CG1 ILE A 13 5.570 -6.749 -4.313 1.00 0.63 C +ATOM 113 CG2 ILE A 13 6.753 -8.888 -3.812 1.00 0.64 C +ATOM 114 CD1 ILE A 13 5.564 -5.246 -4.010 1.00 0.57 C +ATOM 115 H01 ILE A 13 9.290 -7.667 -2.943 1.00 0.47 H +ATOM 116 N SER A 14 6.669 -8.690 -1.109 1.00 0.46 N +ATOM 117 CA SER A 14 5.851 -9.332 -0.047 1.00 0.44 C +ATOM 118 C SER A 14 5.859 -8.424 1.179 1.00 0.37 C +ATOM 119 O SER A 14 4.837 -8.162 1.781 1.00 0.35 O +ATOM 120 CB SER A 14 6.453 -10.689 0.312 1.00 0.50 C +ATOM 121 OG SER A 14 5.481 -11.469 0.996 1.00 1.07 O +ATOM 122 H01 SER A 14 7.395 -9.214 -1.576 1.00 0.46 H +ATOM 123 N ASP A 15 7.009 -7.928 1.541 1.00 0.34 N +ATOM 124 CA ASP A 15 7.097 -7.021 2.709 1.00 0.30 C +ATOM 125 C ASP A 15 6.187 -5.819 2.475 1.00 0.24 C +ATOM 126 O ASP A 15 5.470 -5.386 3.353 1.00 0.23 O +ATOM 127 CB ASP A 15 8.536 -6.538 2.871 1.00 0.30 C +ATOM 128 CG ASP A 15 9.056 -6.939 4.254 1.00 0.33 C +ATOM 129 OD1 ASP A 15 8.483 -7.843 4.840 1.00 1.17 O +ATOM 130 OD2 ASP A 15 10.015 -6.335 4.705 1.00 1.08 O1- +ATOM 131 H01 ASP A 15 7.844 -8.163 1.023 1.00 0.34 H +ATOM 132 N LEU A 16 6.211 -5.283 1.288 1.00 0.25 N +ATOM 133 CA LEU A 16 5.347 -4.111 0.980 1.00 0.23 C +ATOM 134 C LEU A 16 3.898 -4.464 1.298 1.00 0.22 C +ATOM 135 O LEU A 16 3.233 -3.804 2.073 1.00 0.21 O +ATOM 136 CB LEU A 16 5.470 -3.779 -0.505 1.00 0.28 C +ATOM 137 CG LEU A 16 4.802 -2.436 -0.784 1.00 0.31 C +ATOM 138 CD1 LEU A 16 5.341 -1.386 0.188 1.00 0.31 C +ATOM 139 CD2 LEU A 16 5.110 -2.013 -2.219 1.00 0.39 C +ATOM 140 H01 LEU A 16 6.817 -5.664 0.575 1.00 0.25 H +ATOM 141 N HIS A 17 3.413 -5.509 0.701 1.00 0.22 N +ATOM 142 CA HIS A 17 2.018 -5.941 0.944 1.00 0.22 C +ATOM 143 C HIS A 17 1.874 -6.363 2.405 1.00 0.19 C +ATOM 144 O HIS A 17 0.786 -6.432 2.941 1.00 0.19 O +ATOM 145 CB HIS A 17 1.715 -7.120 0.024 1.00 0.26 C +ATOM 146 CG HIS A 17 1.994 -6.716 -1.397 1.00 0.32 C +ATOM 147 CD2 HIS A 17 2.895 -7.181 -2.324 1.00 0.40 C +ATOM 148 ND1 HIS A 17 1.294 -5.699 -2.026 1.00 0.38 N +ATOM 149 CE1 HIS A 17 1.779 -5.586 -3.276 1.00 0.44 C +ATOM 150 NE2 HIS A 17 2.756 -6.465 -3.510 1.00 0.45 N +ATOM 151 H01 HIS A 17 3.994 -6.034 0.063 1.00 0.22 H +ATOM 152 N GLN A 18 2.969 -6.639 3.055 1.00 0.19 N +ATOM 153 CA GLN A 18 2.905 -7.047 4.475 1.00 0.19 C +ATOM 154 C GLN A 18 2.501 -5.844 5.322 1.00 0.17 C +ATOM 155 O GLN A 18 1.541 -5.888 6.067 1.00 0.18 O +ATOM 156 CB GLN A 18 4.275 -7.553 4.927 1.00 0.21 C +ATOM 157 CG GLN A 18 4.092 -8.654 5.975 1.00 0.55 C +ATOM 158 CD GLN A 18 5.461 -9.139 6.452 1.00 1.31 C +ATOM 159 NE2 GLN A 18 5.626 -10.399 6.749 1.00 2.02 N +ATOM 160 OE1 GLN A 18 6.390 -8.363 6.557 1.00 2.11 O +ATOM 161 H01 GLN A 18 3.862 -6.574 2.589 1.00 0.19 H +ATOM 162 N THR A 19 3.229 -4.764 5.217 1.00 0.17 N +ATOM 163 CA THR A 19 2.882 -3.573 6.019 1.00 0.17 C +ATOM 164 C THR A 19 1.519 -3.063 5.542 1.00 0.17 C +ATOM 165 O THR A 19 0.682 -2.691 6.328 1.00 0.18 O +ATOM 166 CB THR A 19 3.976 -2.492 5.860 1.00 0.20 C +ATOM 167 CG2 THR A 19 3.371 -1.165 5.396 1.00 0.21 C +ATOM 168 OG1 THR A 19 4.593 -2.276 7.121 1.00 0.22 O +ATOM 169 H01 THR A 19 4.023 -4.744 4.593 1.00 0.17 H +ATOM 170 N LEU A 20 1.286 -3.056 4.258 1.00 0.16 N +ATOM 171 CA LEU A 20 -0.022 -2.590 3.751 1.00 0.18 C +ATOM 172 C LEU A 20 -1.104 -3.472 4.365 1.00 0.17 C +ATOM 173 O LEU A 20 -2.183 -3.040 4.683 1.00 0.24 O +ATOM 174 CB LEU A 20 -0.050 -2.738 2.232 1.00 0.19 C +ATOM 175 CG LEU A 20 0.878 -1.705 1.588 1.00 0.20 C +ATOM 176 CD1 LEU A 20 0.822 -1.851 0.068 1.00 0.23 C +ATOM 177 CD2 LEU A 20 0.434 -0.292 1.981 1.00 0.21 C +ATOM 178 H01 LEU A 20 1.997 -3.368 3.612 1.00 0.16 H +ATOM 179 N LYS A 21 -0.794 -4.716 4.530 1.00 0.16 N +ATOM 180 CA LYS A 21 -1.760 -5.680 5.122 1.00 0.16 C +ATOM 181 C LYS A 21 -2.011 -5.324 6.586 1.00 0.17 C +ATOM 182 O LYS A 21 -3.123 -5.365 7.059 1.00 0.19 O +ATOM 183 CB LYS A 21 -1.173 -7.088 5.035 1.00 0.17 C +ATOM 184 CG LYS A 21 -2.174 -8.100 5.593 1.00 0.29 C +ATOM 185 CD LYS A 21 -1.414 -9.229 6.292 1.00 0.68 C +ATOM 186 CE LYS A 21 -2.407 -10.255 6.837 1.00 1.26 C +ATOM 187 NZ LYS A 21 -1.733 -11.101 7.860 1.00 1.94 N1+ +ATOM 188 H01 LYS A 21 0.121 -5.040 4.252 1.00 0.16 H +ATOM 189 N LYS A 22 -0.991 -4.980 7.317 1.00 0.18 N +ATOM 190 CA LYS A 22 -1.204 -4.631 8.741 1.00 0.20 C +ATOM 191 C LYS A 22 -2.006 -3.335 8.817 1.00 0.23 C +ATOM 192 O LYS A 22 -3.074 -3.277 9.390 1.00 0.29 O +ATOM 193 CB LYS A 22 0.142 -4.442 9.432 1.00 0.22 C +ATOM 194 CG LYS A 22 0.148 -5.278 10.717 1.00 0.83 C +ATOM 195 CD LYS A 22 1.553 -5.339 11.302 1.00 1.43 C +ATOM 196 CE LYS A 22 1.494 -6.033 12.671 1.00 2.18 C +ATOM 197 NZ LYS A 22 2.827 -6.602 13.001 1.00 2.84 N1+ +ATOM 198 H01 LYS A 22 -0.064 -4.951 6.918 1.00 0.18 H +ATOM 199 N GLU A 23 -1.495 -2.303 8.219 1.00 0.22 N +ATOM 200 CA GLU A 23 -2.195 -1.004 8.212 1.00 0.26 C +ATOM 201 C GLU A 23 -3.621 -1.224 7.716 1.00 0.24 C +ATOM 202 O GLU A 23 -4.587 -1.066 8.436 1.00 0.27 O +ATOM 203 CB GLU A 23 -1.450 -0.080 7.250 1.00 0.29 C +ATOM 204 CG GLU A 23 -0.006 0.098 7.725 1.00 0.35 C +ATOM 205 CD GLU A 23 0.032 1.057 8.914 1.00 1.53 C +ATOM 206 OE1 GLU A 23 -1.026 1.364 9.438 1.00 2.29 O +ATOM 207 OE2 GLU A 23 1.120 1.471 9.280 1.00 2.27 O1- +ATOM 208 H01 GLU A 23 -0.604 -2.390 7.751 1.00 0.22 H +ATOM 209 N LEU A 24 -3.737 -1.599 6.480 1.00 0.23 N +ATOM 210 CA LEU A 24 -5.066 -1.859 5.871 1.00 0.23 C +ATOM 211 C LEU A 24 -5.767 -2.996 6.618 1.00 0.22 C +ATOM 212 O LEU A 24 -6.953 -3.209 6.467 1.00 0.24 O +ATOM 213 CB LEU A 24 -4.848 -2.277 4.418 1.00 0.21 C +ATOM 214 CG LEU A 24 -4.150 -1.150 3.658 1.00 0.25 C +ATOM 215 CD1 LEU A 24 -3.120 -1.750 2.701 1.00 0.20 C +ATOM 216 CD2 LEU A 24 -5.184 -0.352 2.862 1.00 0.40 C +ATOM 217 H01 LEU A 24 -2.905 -1.717 5.919 1.00 0.23 H +ATOM 218 N ALA A 25 -5.043 -3.736 7.416 1.00 0.21 N +ATOM 219 CA ALA A 25 -5.667 -4.860 8.158 1.00 0.22 C +ATOM 220 C ALA A 25 -6.369 -5.796 7.170 1.00 0.21 C +ATOM 221 O ALA A 25 -7.501 -6.191 7.366 1.00 0.23 O +ATOM 222 CB ALA A 25 -6.670 -4.292 9.152 1.00 0.26 C +ATOM 223 H01 ALA A 25 -4.058 -3.543 7.528 1.00 0.21 H +ATOM 224 N LEU A 26 -5.693 -6.152 6.112 1.00 0.21 N +ATOM 225 CA LEU A 26 -6.293 -7.062 5.095 1.00 0.24 C +ATOM 226 C LEU A 26 -6.438 -8.468 5.690 1.00 0.28 C +ATOM 227 O LEU A 26 -5.795 -8.792 6.669 1.00 0.30 O +ATOM 228 CB LEU A 26 -5.371 -7.117 3.872 1.00 0.23 C +ATOM 229 CG LEU A 26 -4.954 -5.697 3.483 1.00 0.21 C +ATOM 230 CD1 LEU A 26 -3.954 -5.751 2.337 1.00 0.26 C +ATOM 231 CD2 LEU A 26 -6.187 -4.909 3.043 1.00 0.23 C +ATOM 232 H01 LEU A 26 -4.753 -5.807 5.981 1.00 0.21 H +ATOM 233 N PRO A 27 -7.280 -9.262 5.077 1.00 0.34 N +ATOM 234 CA PRO A 27 -7.526 -10.643 5.529 1.00 0.41 C +ATOM 235 C PRO A 27 -6.221 -11.438 5.555 1.00 0.39 C +ATOM 236 O PRO A 27 -5.165 -10.932 5.233 1.00 0.31 O +ATOM 237 CB PRO A 27 -8.489 -11.230 4.490 1.00 0.48 C +ATOM 238 CG PRO A 27 -8.880 -10.091 3.514 1.00 0.48 C +ATOM 239 CD PRO A 27 -8.054 -8.852 3.890 1.00 0.38 C +ATOM 240 N GLU A 28 -6.289 -12.685 5.931 1.00 0.50 N +ATOM 241 CA GLU A 28 -5.058 -13.519 5.972 1.00 0.53 C +ATOM 242 C GLU A 28 -4.729 -13.997 4.558 1.00 0.49 C +ATOM 243 O GLU A 28 -3.622 -14.407 4.273 1.00 0.51 O +ATOM 244 CB GLU A 28 -5.295 -14.732 6.871 1.00 0.67 C +ATOM 245 CG GLU A 28 -5.557 -14.268 8.305 1.00 1.14 C +ATOM 246 CD GLU A 28 -5.237 -15.405 9.276 1.00 1.65 C +ATOM 247 OE1 GLU A 28 -4.380 -16.210 8.953 1.00 2.31 O +ATOM 248 OE2 GLU A 28 -5.856 -15.452 10.327 1.00 2.20 O1- +ATOM 249 H01 GLU A 28 -7.178 -13.085 6.195 1.00 0.50 H +ATOM 250 N TYR A 29 -5.686 -13.952 3.671 1.00 0.47 N +ATOM 251 CA TYR A 29 -5.426 -14.409 2.279 1.00 0.44 C +ATOM 252 C TYR A 29 -5.020 -13.218 1.409 1.00 0.37 C +ATOM 253 O TYR A 29 -4.999 -13.312 0.198 1.00 0.38 O +ATOM 254 CB TYR A 29 -6.686 -15.061 1.704 1.00 0.51 C +ATOM 255 CG TYR A 29 -7.900 -14.250 2.087 1.00 0.66 C +ATOM 256 CD1 TYR A 29 -8.300 -13.171 1.290 1.00 1.29 C +ATOM 257 CD2 TYR A 29 -8.627 -14.579 3.237 1.00 1.53 C +ATOM 258 CE1 TYR A 29 -9.428 -12.421 1.643 1.00 1.43 C +ATOM 259 CE2 TYR A 29 -9.756 -13.829 3.590 1.00 1.75 C +ATOM 260 CZ TYR A 29 -10.156 -12.750 2.793 1.00 1.24 C +ATOM 261 OH TYR A 29 -11.268 -12.011 3.140 1.00 1.57 O +ATOM 262 H01 TYR A 29 -6.600 -13.608 3.929 1.00 0.47 H +ATOM 263 N TYR A 30 -4.694 -12.103 2.017 1.00 0.32 N +ATOM 264 CA TYR A 30 -4.275 -10.903 1.222 1.00 0.28 C +ATOM 265 C TYR A 30 -3.419 -11.366 0.035 1.00 0.32 C +ATOM 266 O TYR A 30 -2.281 -11.759 0.193 1.00 0.38 O +ATOM 267 CB TYR A 30 -3.462 -9.958 2.121 1.00 0.29 C +ATOM 268 CG TYR A 30 -3.006 -8.741 1.339 1.00 0.20 C +ATOM 269 CD1 TYR A 30 -3.750 -8.286 0.243 1.00 0.47 C +ATOM 270 CD2 TYR A 30 -1.832 -8.068 1.715 1.00 0.48 C +ATOM 271 CE1 TYR A 30 -3.319 -7.163 -0.477 1.00 0.49 C +ATOM 272 CE2 TYR A 30 -1.400 -6.943 0.995 1.00 0.49 C +ATOM 273 CZ TYR A 30 -2.145 -6.493 -0.102 1.00 0.25 C +ATOM 274 OH TYR A 30 -1.724 -5.388 -0.814 1.00 0.36 O +ATOM 275 H01 TYR A 30 -4.725 -12.052 3.025 1.00 0.32 H +ATOM 276 N GLY A 31 -3.974 -11.339 -1.151 1.00 0.39 N +ATOM 277 CA GLY A 31 -3.215 -11.796 -2.357 1.00 0.51 C +ATOM 278 C GLY A 31 -2.004 -10.892 -2.611 1.00 0.58 C +ATOM 279 O GLY A 31 -1.214 -11.146 -3.495 1.00 1.36 O +ATOM 280 H01 GLY A 31 -4.922 -11.007 -1.253 1.00 0.39 H +ATOM 281 N GLU A 32 -1.870 -9.835 -1.853 1.00 0.56 N +ATOM 282 CA GLU A 32 -0.726 -8.877 -2.011 1.00 0.54 C +ATOM 283 C GLU A 32 -0.533 -8.420 -3.470 1.00 0.54 C +ATOM 284 O GLU A 32 0.377 -7.671 -3.760 1.00 0.59 O +ATOM 285 CB GLU A 32 0.582 -9.491 -1.474 1.00 0.66 C +ATOM 286 CG GLU A 32 0.741 -10.947 -1.915 1.00 1.51 C +ATOM 287 CD GLU A 32 2.052 -11.506 -1.358 1.00 1.87 C +ATOM 288 OE1 GLU A 32 3.044 -10.799 -1.410 1.00 2.36 O +ATOM 289 OE2 GLU A 32 2.040 -12.632 -0.890 1.00 2.37 O1- +ATOM 290 H01 GLU A 32 -2.560 -9.657 -1.137 1.00 0.56 H +ATOM 291 N ASN A 33 -1.373 -8.817 -4.389 1.00 0.51 N +ATOM 292 CA ASN A 33 -1.203 -8.335 -5.792 1.00 0.53 C +ATOM 293 C ASN A 33 -1.891 -6.977 -5.927 1.00 0.50 C +ATOM 294 O ASN A 33 -2.423 -6.444 -4.974 1.00 0.56 O +ATOM 295 CB ASN A 33 -1.811 -9.321 -6.806 1.00 0.54 C +ATOM 296 CG ASN A 33 -2.420 -10.533 -6.096 1.00 0.62 C +ATOM 297 ND2 ASN A 33 -3.703 -10.559 -5.864 1.00 0.82 N +ATOM 298 OD1 ASN A 33 -1.721 -11.465 -5.752 1.00 1.57 O +ATOM 299 H01 ASN A 33 -2.129 -9.443 -4.153 1.00 0.51 H +ATOM 300 N LEU A 34 -1.918 -6.429 -7.107 1.00 0.48 N +ATOM 301 CA LEU A 34 -2.609 -5.125 -7.305 1.00 0.47 C +ATOM 302 C LEU A 34 -4.108 -5.392 -7.331 1.00 0.40 C +ATOM 303 O LEU A 34 -4.911 -4.621 -6.852 1.00 0.37 O +ATOM 304 CB LEU A 34 -2.204 -4.539 -8.650 1.00 0.55 C +ATOM 305 CG LEU A 34 -0.749 -4.072 -8.606 1.00 0.64 C +ATOM 306 CD1 LEU A 34 -0.358 -3.503 -9.971 1.00 0.82 C +ATOM 307 CD2 LEU A 34 -0.590 -2.986 -7.539 1.00 0.61 C +ATOM 308 H01 LEU A 34 -1.471 -6.888 -7.888 1.00 0.48 H +ATOM 309 N ASP A 35 -4.469 -6.494 -7.911 1.00 0.39 N +ATOM 310 CA ASP A 35 -5.897 -6.886 -8.018 1.00 0.36 C +ATOM 311 C ASP A 35 -6.467 -7.173 -6.632 1.00 0.30 C +ATOM 312 O ASP A 35 -7.614 -6.894 -6.351 1.00 0.28 O +ATOM 313 CB ASP A 35 -5.975 -8.167 -8.833 1.00 0.38 C +ATOM 314 CG ASP A 35 -5.683 -7.865 -10.303 1.00 0.43 C +ATOM 315 OD1 ASP A 35 -6.344 -7.000 -10.853 1.00 1.24 O +ATOM 316 OD2 ASP A 35 -4.803 -8.506 -10.856 1.00 1.06 O1- +ATOM 317 H01 ASP A 35 -3.761 -7.101 -8.300 1.00 0.39 H +ATOM 318 N ALA A 36 -5.676 -7.742 -5.769 1.00 0.29 N +ATOM 319 CA ALA A 36 -6.180 -8.058 -4.401 1.00 0.25 C +ATOM 320 C ALA A 36 -6.124 -6.799 -3.563 1.00 0.22 C +ATOM 321 O ALA A 36 -7.111 -6.353 -3.016 1.00 0.22 O +ATOM 322 CB ALA A 36 -5.310 -9.125 -3.749 1.00 0.29 C +ATOM 323 H01 ALA A 36 -4.725 -7.969 -6.024 1.00 0.29 H +ATOM 324 N LEU A 37 -4.967 -6.217 -3.477 1.00 0.21 N +ATOM 325 CA LEU A 37 -4.820 -4.966 -2.697 1.00 0.19 C +ATOM 326 C LEU A 37 -5.987 -4.058 -3.064 1.00 0.16 C +ATOM 327 O LEU A 37 -6.706 -3.539 -2.224 1.00 0.16 O +ATOM 328 CB LEU A 37 -3.502 -4.299 -3.095 1.00 0.21 C +ATOM 329 CG LEU A 37 -3.539 -2.815 -2.724 1.00 0.20 C +ATOM 330 CD1 LEU A 37 -3.557 -2.667 -1.201 1.00 0.22 C +ATOM 331 CD2 LEU A 37 -2.302 -2.115 -3.290 1.00 0.24 C +ATOM 332 H01 LEU A 37 -4.165 -6.618 -3.943 1.00 0.21 H +ATOM 333 N TRP A 38 -6.173 -3.884 -4.333 1.00 0.17 N +ATOM 334 CA TRP A 38 -7.277 -3.046 -4.821 1.00 0.16 C +ATOM 335 C TRP A 38 -8.577 -3.613 -4.303 1.00 0.16 C +ATOM 336 O TRP A 38 -9.345 -2.951 -3.643 1.00 0.16 O +ATOM 337 CB TRP A 38 -7.315 -3.093 -6.341 1.00 0.18 C +ATOM 338 CG TRP A 38 -8.456 -2.267 -6.801 1.00 0.18 C +ATOM 339 CD1 TRP A 38 -9.708 -2.718 -6.963 1.00 0.21 C +ATOM 340 CD2 TRP A 38 -8.476 -0.860 -7.128 1.00 0.18 C +ATOM 341 CE2 TRP A 38 -9.785 -0.502 -7.508 1.00 0.20 C +ATOM 342 CE3 TRP A 38 -7.487 0.125 -7.138 1.00 0.17 C +ATOM 343 NE1 TRP A 38 -10.508 -1.672 -7.389 1.00 0.23 N +ATOM 344 CZ2 TRP A 38 -10.099 0.802 -7.885 1.00 0.22 C +ATOM 345 CZ3 TRP A 38 -7.785 1.430 -7.507 1.00 0.19 C +ATOM 346 CH2 TRP A 38 -9.093 1.778 -7.885 1.00 0.20 C +ATOM 347 H01 TRP A 38 -5.553 -4.329 -4.995 1.00 0.17 H +ATOM 348 N ASP A 39 -8.815 -4.850 -4.599 1.00 0.17 N +ATOM 349 CA ASP A 39 -10.061 -5.500 -4.130 1.00 0.18 C +ATOM 350 C ASP A 39 -10.283 -5.117 -2.672 1.00 0.18 C +ATOM 351 O ASP A 39 -11.394 -5.091 -2.182 1.00 0.21 O +ATOM 352 CB ASP A 39 -9.927 -7.017 -4.254 1.00 0.21 C +ATOM 353 CG ASP A 39 -10.613 -7.488 -5.537 1.00 0.29 C +ATOM 354 OD1 ASP A 39 -10.045 -7.286 -6.598 1.00 1.13 O +ATOM 355 OD2 ASP A 39 -11.695 -8.044 -5.438 1.00 1.06 O1- +ATOM 356 H01 ASP A 39 -8.150 -5.373 -5.151 1.00 0.17 H +ATOM 357 N CYS A 40 -9.222 -4.807 -1.977 1.00 0.17 N +ATOM 358 CA CYS A 40 -9.354 -4.412 -0.556 1.00 0.19 C +ATOM 359 C CYS A 40 -9.797 -2.948 -0.466 1.00 0.19 C +ATOM 360 O CYS A 40 -10.745 -2.623 0.218 1.00 0.23 O +ATOM 361 CB CYS A 40 -8.001 -4.580 0.132 1.00 0.21 C +ATOM 362 SG CYS A 40 -7.334 -6.221 -0.239 1.00 0.58 S +ATOM 363 H01 CYS A 40 -8.310 -4.837 -2.409 1.00 0.17 H +ATOM 364 N LEU A 41 -9.117 -2.057 -1.142 1.00 0.17 N +ATOM 365 CA LEU A 41 -9.497 -0.625 -1.076 1.00 0.18 C +ATOM 366 C LEU A 41 -10.943 -0.424 -1.548 1.00 0.21 C +ATOM 367 O LEU A 41 -11.729 0.247 -0.908 1.00 0.45 O +ATOM 368 CB LEU A 41 -8.562 0.173 -1.981 1.00 0.17 C +ATOM 369 CG LEU A 41 -7.117 -0.285 -1.776 1.00 0.19 C +ATOM 370 CD1 LEU A 41 -6.189 0.625 -2.567 1.00 0.18 C +ATOM 371 CD2 LEU A 41 -6.760 -0.219 -0.289 1.00 0.31 C +ATOM 372 H01 LEU A 41 -8.333 -2.345 -1.709 1.00 0.17 H +ATOM 373 N THR A 42 -11.284 -0.971 -2.679 1.00 0.26 N +ATOM 374 CA THR A 42 -12.650 -0.794 -3.226 1.00 0.28 C +ATOM 375 C THR A 42 -13.665 -1.664 -2.479 1.00 0.32 C +ATOM 376 O THR A 42 -14.826 -1.704 -2.836 1.00 0.55 O +ATOM 377 CB THR A 42 -12.649 -1.174 -4.708 1.00 0.26 C +ATOM 378 CG2 THR A 42 -12.054 -0.026 -5.525 1.00 0.40 C +ATOM 379 OG1 THR A 42 -11.870 -2.347 -4.894 1.00 0.29 O +ATOM 380 H01 THR A 42 -10.610 -1.523 -3.190 1.00 0.26 H +ATOM 381 N GLY A 43 -13.262 -2.363 -1.452 1.00 0.27 N +ATOM 382 CA GLY A 43 -14.258 -3.210 -0.729 1.00 0.31 C +ATOM 383 C GLY A 43 -13.627 -3.900 0.484 1.00 0.27 C +ATOM 384 O GLY A 43 -13.610 -5.112 0.574 1.00 0.32 O +ATOM 385 H01 GLY A 43 -12.298 -2.332 -1.153 1.00 0.27 H +ATOM 386 N TRP A 44 -13.125 -3.148 1.425 1.00 0.25 N +ATOM 387 CA TRP A 44 -12.519 -3.775 2.630 1.00 0.23 C +ATOM 388 C TRP A 44 -11.944 -2.689 3.540 1.00 0.23 C +ATOM 389 O TRP A 44 -12.415 -2.466 4.637 1.00 0.27 O +ATOM 390 CB TRP A 44 -11.402 -4.721 2.201 1.00 0.24 C +ATOM 391 CG TRP A 44 -10.808 -5.362 3.411 1.00 0.26 C +ATOM 392 CD1 TRP A 44 -9.735 -4.894 4.085 1.00 0.27 C +ATOM 393 CD2 TRP A 44 -11.233 -6.571 4.106 1.00 0.30 C +ATOM 394 CE2 TRP A 44 -10.366 -6.788 5.202 1.00 0.34 C +ATOM 395 CE3 TRP A 44 -12.274 -7.493 3.891 1.00 0.35 C +ATOM 396 NE1 TRP A 44 -9.470 -5.739 5.146 1.00 0.31 N +ATOM 397 CZ2 TRP A 44 -10.527 -7.879 6.058 1.00 0.41 C +ATOM 398 CZ3 TRP A 44 -12.439 -8.592 4.750 1.00 0.43 C +ATOM 399 CH2 TRP A 44 -11.567 -8.785 5.831 1.00 0.45 C +ATOM 400 H01 TRP A 44 -13.148 -2.142 1.335 1.00 0.25 H +ATOM 401 N VAL A 45 -10.925 -2.016 3.089 1.00 0.25 N +ATOM 402 CA VAL A 45 -10.304 -0.949 3.912 1.00 0.26 C +ATOM 403 C VAL A 45 -11.350 0.112 4.253 1.00 0.25 C +ATOM 404 O VAL A 45 -12.264 0.362 3.493 1.00 0.37 O +ATOM 405 CB VAL A 45 -9.165 -0.300 3.125 1.00 0.30 C +ATOM 406 CG1 VAL A 45 -8.436 0.706 4.017 1.00 0.42 C +ATOM 407 CG2 VAL A 45 -8.181 -1.377 2.661 1.00 0.28 C +ATOM 408 H01 VAL A 45 -10.554 -2.222 2.172 1.00 0.25 H +ATOM 409 N GLU A 46 -11.215 0.751 5.382 1.00 0.21 N +ATOM 410 CA GLU A 46 -12.197 1.808 5.755 1.00 0.23 C +ATOM 411 C GLU A 46 -11.566 3.177 5.505 1.00 0.22 C +ATOM 412 O GLU A 46 -10.440 3.435 5.880 1.00 0.22 O +ATOM 413 CB GLU A 46 -12.600 1.688 7.231 1.00 0.30 C +ATOM 414 CG GLU A 46 -11.576 0.848 7.993 1.00 1.31 C +ATOM 415 CD GLU A 46 -12.107 0.545 9.395 1.00 1.80 C +ATOM 416 OE1 GLU A 46 -13.089 -0.173 9.493 1.00 2.43 O +ATOM 417 OE2 GLU A 46 -11.524 1.036 10.347 1.00 2.28 O1- +ATOM 418 H01 GLU A 46 -10.448 0.530 6.001 1.00 0.21 H +ATOM 419 N TYR A 47 -12.285 4.047 4.861 1.00 0.22 N +ATOM 420 CA TYR A 47 -11.744 5.402 4.559 1.00 0.22 C +ATOM 421 C TYR A 47 -12.564 6.446 5.329 1.00 0.26 C +ATOM 422 O TYR A 47 -13.586 6.110 5.892 1.00 0.29 O +ATOM 423 CB TYR A 47 -11.851 5.623 3.045 1.00 0.24 C +ATOM 424 CG TYR A 47 -10.868 4.720 2.323 1.00 0.24 C +ATOM 425 CD1 TYR A 47 -9.830 4.081 3.021 1.00 1.25 C +ATOM 426 CD2 TYR A 47 -10.994 4.520 0.945 1.00 1.21 C +ATOM 427 CE1 TYR A 47 -8.935 3.251 2.342 1.00 1.27 C +ATOM 428 CE2 TYR A 47 -10.094 3.692 0.272 1.00 1.20 C +ATOM 429 CZ TYR A 47 -9.067 3.058 0.970 1.00 0.29 C +ATOM 430 OH TYR A 47 -8.181 2.239 0.301 1.00 0.34 O +ATOM 431 H01 TYR A 47 -13.218 3.803 4.563 1.00 0.22 H +ATOM 432 N PRO A 48 -12.102 7.682 5.359 1.00 0.27 N +ATOM 433 CA PRO A 48 -10.858 8.134 4.685 1.00 0.25 C +ATOM 434 C PRO A 48 -9.620 7.409 5.219 1.00 0.22 C +ATOM 435 O PRO A 48 -9.455 7.234 6.406 1.00 0.30 O +ATOM 436 CB PRO A 48 -10.761 9.631 5.010 1.00 0.28 C +ATOM 437 CG PRO A 48 -11.970 10.004 5.902 1.00 0.33 C +ATOM 438 CD PRO A 48 -12.815 8.738 6.097 1.00 0.32 C +ATOM 439 N LEU A 49 -8.744 7.000 4.338 1.00 0.20 N +ATOM 440 CA LEU A 49 -7.502 6.298 4.775 1.00 0.19 C +ATOM 441 C LEU A 49 -6.301 7.182 4.462 1.00 0.19 C +ATOM 442 O LEU A 49 -6.335 7.998 3.567 1.00 0.20 O +ATOM 443 CB LEU A 49 -7.362 4.977 3.994 1.00 0.18 C +ATOM 444 CG LEU A 49 -5.885 4.560 3.861 1.00 0.17 C +ATOM 445 CD1 LEU A 49 -5.350 4.066 5.209 1.00 0.20 C +ATOM 446 CD2 LEU A 49 -5.759 3.447 2.816 1.00 0.16 C +ATOM 447 H01 LEU A 49 -8.909 7.161 3.355 1.00 0.20 H +ATOM 448 N VAL A 50 -5.222 6.985 5.157 1.00 0.21 N +ATOM 449 CA VAL A 50 -4.003 7.770 4.857 1.00 0.22 C +ATOM 450 C VAL A 50 -2.919 6.786 4.408 1.00 0.20 C +ATOM 451 O VAL A 50 -2.748 5.736 4.987 1.00 0.21 O +ATOM 452 CB VAL A 50 -3.555 8.555 6.114 1.00 0.26 C +ATOM 453 CG1 VAL A 50 -2.135 8.158 6.542 1.00 0.26 C +ATOM 454 CG2 VAL A 50 -3.567 10.051 5.802 1.00 0.29 C +ATOM 455 H01 VAL A 50 -5.214 6.300 5.899 1.00 0.21 H +ATOM 456 N LEU A 51 -2.167 7.122 3.409 1.00 0.19 N +ATOM 457 CA LEU A 51 -1.081 6.210 2.976 1.00 0.18 C +ATOM 458 C LEU A 51 0.228 6.969 3.109 1.00 0.18 C +ATOM 459 O LEU A 51 0.745 7.517 2.155 1.00 0.20 O +ATOM 460 CB LEU A 51 -1.267 5.748 1.523 1.00 0.17 C +ATOM 461 CG LEU A 51 -0.106 4.823 1.149 1.00 0.19 C +ATOM 462 CD1 LEU A 51 -0.195 3.543 1.973 1.00 0.21 C +ATOM 463 CD2 LEU A 51 -0.185 4.451 -0.328 1.00 0.18 C +ATOM 464 H01 LEU A 51 -2.319 7.998 2.929 1.00 0.19 H +ATOM 465 N GLU A 52 0.760 7.014 4.296 1.00 0.19 N +ATOM 466 CA GLU A 52 2.031 7.743 4.505 1.00 0.21 C +ATOM 467 C GLU A 52 3.158 6.861 3.988 1.00 0.19 C +ATOM 468 O GLU A 52 3.789 6.122 4.721 1.00 0.19 O +ATOM 469 CB GLU A 52 2.213 8.030 5.996 1.00 0.24 C +ATOM 470 CG GLU A 52 3.642 8.508 6.256 1.00 0.30 C +ATOM 471 CD GLU A 52 3.650 9.471 7.444 1.00 0.64 C +ATOM 472 OE1 GLU A 52 2.717 9.420 8.229 1.00 1.28 O +ATOM 473 OE2 GLU A 52 4.588 10.244 7.550 1.00 1.44 O1- +ATOM 474 H01 GLU A 52 0.307 6.553 5.072 1.00 0.19 H +ATOM 475 N TRP A 53 3.385 6.915 2.708 1.00 0.20 N +ATOM 476 CA TRP A 53 4.436 6.072 2.099 1.00 0.20 C +ATOM 477 C TRP A 53 5.813 6.694 2.321 1.00 0.24 C +ATOM 478 O TRP A 53 6.142 7.720 1.760 1.00 0.38 O +ATOM 479 CB TRP A 53 4.175 5.945 0.603 1.00 0.24 C +ATOM 480 CG TRP A 53 4.807 4.689 0.123 1.00 0.23 C +ATOM 481 CD1 TRP A 53 6.084 4.326 0.376 1.00 0.25 C +ATOM 482 CD2 TRP A 53 4.223 3.620 -0.671 1.00 0.21 C +ATOM 483 CE2 TRP A 53 5.210 2.627 -0.872 1.00 0.24 C +ATOM 484 CE3 TRP A 53 2.948 3.416 -1.234 1.00 0.21 C +ATOM 485 NE1 TRP A 53 6.325 3.103 -0.214 1.00 0.26 N +ATOM 486 CZ2 TRP A 53 4.946 1.474 -1.601 1.00 0.25 C +ATOM 487 CZ3 TRP A 53 2.684 2.251 -1.974 1.00 0.23 C +ATOM 488 CH2 TRP A 53 3.682 1.284 -2.156 1.00 0.25 C +ATOM 489 H01 TRP A 53 2.840 7.536 2.127 1.00 0.20 H +ATOM 490 N ARG A 54 6.627 6.069 3.124 1.00 0.26 N +ATOM 491 CA ARG A 54 7.992 6.607 3.371 1.00 0.35 C +ATOM 492 C ARG A 54 8.988 5.823 2.515 1.00 0.49 C +ATOM 493 O ARG A 54 8.781 4.663 2.219 1.00 1.33 O +ATOM 494 CB ARG A 54 8.346 6.446 4.849 1.00 0.44 C +ATOM 495 CG ARG A 54 8.545 7.825 5.481 1.00 0.88 C +ATOM 496 CD ARG A 54 8.772 7.667 6.985 1.00 1.09 C +ATOM 497 NE ARG A 54 10.009 8.396 7.382 1.00 1.40 N +ATOM 498 CZ ARG A 54 10.254 8.632 8.637 1.00 1.87 C +ATOM 499 NH1 ARG A 54 10.719 7.683 9.399 1.00 2.47 N1+ +ATOM 500 NH2 ARG A 54 10.035 9.816 9.133 1.00 2.46 N +ATOM 501 H01 ARG A 54 6.331 5.218 3.580 1.00 0.26 H +ATOM 502 N GLN A 55 10.062 6.439 2.107 1.00 0.53 N +ATOM 503 CA GLN A 55 11.050 5.709 1.264 1.00 0.46 C +ATOM 504 C GLN A 55 10.308 5.032 0.111 1.00 0.53 C +ATOM 505 O GLN A 55 10.193 3.826 0.056 1.00 1.30 O +ATOM 506 CB GLN A 55 11.759 4.650 2.111 1.00 0.55 C +ATOM 507 CG GLN A 55 13.251 4.974 2.186 1.00 1.05 C +ATOM 508 CD GLN A 55 13.542 5.750 3.472 1.00 1.22 C +ATOM 509 NE2 GLN A 55 14.698 6.338 3.616 1.00 1.89 N +ATOM 510 OE1 GLN A 55 12.710 5.822 4.354 1.00 1.82 O +ATOM 511 H01 GLN A 55 10.223 7.403 2.360 1.00 0.53 H +ATOM 512 N PHE A 56 9.791 5.807 -0.801 1.00 0.64 N +ATOM 513 CA PHE A 56 9.035 5.228 -1.949 1.00 0.57 C +ATOM 514 C PHE A 56 10.002 4.576 -2.944 1.00 0.71 C +ATOM 515 O PHE A 56 10.000 3.374 -3.124 1.00 1.62 O +ATOM 516 CB PHE A 56 8.267 6.356 -2.637 1.00 0.62 C +ATOM 517 CG PHE A 56 7.213 5.805 -3.572 1.00 0.57 C +ATOM 518 CD1 PHE A 56 6.938 4.430 -3.629 1.00 1.37 C +ATOM 519 CD2 PHE A 56 6.504 6.690 -4.386 1.00 1.31 C +ATOM 520 CE1 PHE A 56 5.953 3.951 -4.507 1.00 1.40 C +ATOM 521 CE2 PHE A 56 5.522 6.212 -5.260 1.00 1.40 C +ATOM 522 CZ PHE A 56 5.249 4.842 -5.323 1.00 0.79 C +ATOM 523 H01 PHE A 56 9.903 6.808 -0.730 1.00 0.64 H +ATOM 524 N GLU A 57 10.824 5.355 -3.595 1.00 0.67 N +ATOM 525 CA GLU A 57 11.784 4.768 -4.576 1.00 0.65 C +ATOM 526 C GLU A 57 12.637 3.708 -3.882 1.00 0.58 C +ATOM 527 O GLU A 57 13.002 2.709 -4.467 1.00 0.58 O +ATOM 528 CB GLU A 57 12.703 5.861 -5.118 1.00 0.80 C +ATOM 529 CG GLU A 57 11.991 6.634 -6.229 1.00 1.16 C +ATOM 530 CD GLU A 57 12.794 7.891 -6.571 1.00 1.75 C +ATOM 531 OE1 GLU A 57 13.812 8.110 -5.935 1.00 2.34 O +ATOM 532 OE2 GLU A 57 12.378 8.612 -7.462 1.00 2.41 O1- +ATOM 533 H01 GLU A 57 10.810 6.352 -3.435 1.00 0.67 H +ATOM 534 N GLN A 58 12.961 3.924 -2.638 1.00 0.58 N +ATOM 535 CA GLN A 58 13.786 2.942 -1.899 1.00 0.60 C +ATOM 536 C GLN A 58 12.982 1.655 -1.731 1.00 0.53 C +ATOM 537 O GLN A 58 13.524 0.569 -1.730 1.00 0.56 O +ATOM 538 CB GLN A 58 14.158 3.516 -0.530 1.00 0.69 C +ATOM 539 CG GLN A 58 15.064 4.735 -0.723 1.00 0.94 C +ATOM 540 CD GLN A 58 16.526 4.322 -0.542 1.00 1.56 C +ATOM 541 NE2 GLN A 58 17.472 5.114 -0.966 1.00 1.94 N +ATOM 542 OE1 GLN A 58 16.810 3.268 -0.008 1.00 2.34 O +ATOM 543 H01 GLN A 58 12.648 4.766 -2.176 1.00 0.58 H +ATOM 544 N SER A 59 11.685 1.773 -1.611 1.00 0.52 N +ATOM 545 CA SER A 59 10.829 0.560 -1.473 1.00 0.52 C +ATOM 546 C SER A 59 10.318 0.172 -2.859 1.00 0.44 C +ATOM 547 O SER A 59 9.371 -0.576 -3.002 1.00 0.48 O +ATOM 548 CB SER A 59 9.639 0.859 -0.562 1.00 0.65 C +ATOM 549 OG SER A 59 9.861 0.266 0.709 1.00 1.39 O +ATOM 550 H01 SER A 59 11.261 2.690 -1.612 1.00 0.52 H +ATOM 551 N LYS A 60 10.954 0.675 -3.881 1.00 0.41 N +ATOM 552 CA LYS A 60 10.532 0.342 -5.266 1.00 0.42 C +ATOM 553 C LYS A 60 11.614 -0.520 -5.922 1.00 0.44 C +ATOM 554 O LYS A 60 11.326 -1.436 -6.666 1.00 0.55 O +ATOM 555 CB LYS A 60 10.356 1.636 -6.062 1.00 0.51 C +ATOM 556 CG LYS A 60 9.518 1.361 -7.311 1.00 1.03 C +ATOM 557 CD LYS A 60 9.317 2.665 -8.084 1.00 1.61 C +ATOM 558 CE LYS A 60 9.529 2.412 -9.575 1.00 2.36 C +ATOM 559 NZ LYS A 60 10.507 3.397 -10.112 1.00 3.11 N1+ +ATOM 560 H01 LYS A 60 11.738 1.294 -3.730 1.00 0.41 H +ATOM 561 N GLN A 61 12.860 -0.228 -5.655 1.00 0.51 N +ATOM 562 CA GLN A 61 13.963 -1.020 -6.264 1.00 0.62 C +ATOM 563 C GLN A 61 14.010 -2.425 -5.651 1.00 0.60 C +ATOM 564 O GLN A 61 13.841 -3.416 -6.332 1.00 0.66 O +ATOM 565 CB GLN A 61 15.297 -0.315 -6.006 1.00 0.73 C +ATOM 566 CG GLN A 61 15.326 1.021 -6.751 1.00 1.14 C +ATOM 567 CD GLN A 61 16.704 1.221 -7.385 1.00 1.66 C +ATOM 568 NE2 GLN A 61 17.024 2.390 -7.868 1.00 2.39 N +ATOM 569 OE1 GLN A 61 17.499 0.303 -7.440 1.00 2.16 O +ATOM 570 H01 GLN A 61 13.075 0.538 -5.033 1.00 0.51 H +ATOM 571 N LEU A 62 14.264 -2.497 -4.372 1.00 0.64 N +ATOM 572 CA LEU A 62 14.358 -3.820 -3.661 1.00 0.71 C +ATOM 573 C LEU A 62 13.391 -4.833 -4.276 1.00 0.67 C +ATOM 574 O LEU A 62 13.653 -6.019 -4.302 1.00 0.94 O +ATOM 575 CB LEU A 62 13.995 -3.678 -2.170 1.00 0.78 C +ATOM 576 CG LEU A 62 13.609 -2.241 -1.817 1.00 0.78 C +ATOM 577 CD1 LEU A 62 12.330 -1.844 -2.561 1.00 0.66 C +ATOM 578 CD2 LEU A 62 13.367 -2.146 -0.310 1.00 0.94 C +ATOM 579 H01 LEU A 62 14.401 -1.645 -3.848 1.00 0.64 H +ATOM 580 N THR A 63 12.276 -4.379 -4.770 1.00 0.58 N +ATOM 581 CA THR A 63 11.298 -5.309 -5.376 1.00 0.70 C +ATOM 582 C THR A 63 10.933 -4.785 -6.761 1.00 0.81 C +ATOM 583 O THR A 63 9.802 -4.445 -7.030 1.00 0.89 O +ATOM 584 CB THR A 63 10.042 -5.450 -4.482 1.00 0.65 C +ATOM 585 CG2 THR A 63 9.848 -4.231 -3.559 1.00 0.52 C +ATOM 586 OG1 THR A 63 8.893 -5.599 -5.300 1.00 0.72 O +ATOM 587 H01 THR A 63 12.078 -3.389 -4.740 1.00 0.58 H +ATOM 588 N GLU A 64 11.921 -4.721 -7.629 1.00 0.95 N +ATOM 589 CA GLU A 64 11.731 -4.227 -9.035 1.00 1.21 C +ATOM 590 C GLU A 64 10.247 -4.117 -9.389 1.00 1.18 C +ATOM 591 O GLU A 64 9.570 -5.108 -9.578 1.00 1.53 O +ATOM 592 CB GLU A 64 12.403 -5.214 -9.993 1.00 1.55 C +ATOM 593 CG GLU A 64 12.903 -4.472 -11.231 1.00 1.91 C +ATOM 594 CD GLU A 64 14.052 -5.257 -11.865 1.00 2.44 C +ATOM 595 OE1 GLU A 64 14.291 -6.373 -11.432 1.00 3.09 O +ATOM 596 OE2 GLU A 64 14.675 -4.730 -12.771 1.00 2.79 O1- +ATOM 597 H01 GLU A 64 12.842 -5.015 -7.338 1.00 0.95 H +ATOM 598 N ASN A 65 9.732 -2.920 -9.470 1.00 1.70 N +ATOM 599 CA ASN A 65 8.289 -2.761 -9.802 1.00 1.68 C +ATOM 600 C ASN A 65 7.456 -3.157 -8.582 1.00 0.85 C +ATOM 601 O ASN A 65 6.375 -3.697 -8.706 1.00 1.09 O +ATOM 602 CB ASN A 65 7.944 -3.685 -10.974 1.00 2.27 C +ATOM 603 CG ASN A 65 6.828 -3.063 -11.814 1.00 2.89 C +ATOM 604 ND2 ASN A 65 5.844 -3.815 -12.224 1.00 3.66 N +ATOM 605 OD1 ASN A 65 6.854 -1.884 -12.103 1.00 3.24 O +ATOM 606 H01 ASN A 65 10.309 -2.107 -9.308 1.00 1.70 H +ATOM 607 N GLY A 66 7.968 -2.928 -7.401 1.00 0.56 N +ATOM 608 CA GLY A 66 7.225 -3.330 -6.177 1.00 1.20 C +ATOM 609 C GLY A 66 6.279 -2.227 -5.680 1.00 0.91 C +ATOM 610 O GLY A 66 5.073 -2.381 -5.677 1.00 1.26 O +ATOM 611 H01 GLY A 66 8.869 -2.478 -7.320 1.00 0.56 H +ATOM 612 N ALA A 67 6.826 -1.155 -5.185 1.00 0.39 N +ATOM 613 CA ALA A 67 5.996 -0.071 -4.590 1.00 0.46 C +ATOM 614 C ALA A 67 5.313 0.846 -5.615 1.00 0.34 C +ATOM 615 O ALA A 67 4.352 1.513 -5.286 1.00 0.53 O +ATOM 616 CB ALA A 67 6.909 0.777 -3.713 1.00 0.64 C +ATOM 617 H01 ALA A 67 7.831 -1.056 -5.205 1.00 0.39 H +ATOM 618 N GLU A 68 5.778 0.935 -6.823 1.00 0.27 N +ATOM 619 CA GLU A 68 5.129 1.851 -7.769 1.00 0.38 C +ATOM 620 C GLU A 68 3.751 1.292 -8.176 1.00 0.39 C +ATOM 621 O GLU A 68 2.884 2.021 -8.617 1.00 0.49 O +ATOM 622 CB GLU A 68 6.069 2.020 -8.971 1.00 0.51 C +ATOM 623 CG GLU A 68 5.274 2.020 -10.258 1.00 1.38 C +ATOM 624 CD GLU A 68 6.148 2.521 -11.410 1.00 1.57 C +ATOM 625 OE1 GLU A 68 6.989 3.370 -11.165 1.00 1.83 O +ATOM 626 OE2 GLU A 68 5.961 2.047 -12.518 1.00 2.27 O1- +ATOM 627 H01 GLU A 68 6.574 0.383 -7.108 1.00 0.27 H +ATOM 628 N SER A 69 3.544 0.011 -8.034 1.00 0.39 N +ATOM 629 CA SER A 69 2.227 -0.585 -8.417 1.00 0.47 C +ATOM 630 C SER A 69 1.196 -0.382 -7.297 1.00 0.37 C +ATOM 631 O SER A 69 0.120 0.157 -7.510 1.00 0.35 O +ATOM 632 CB SER A 69 2.405 -2.082 -8.669 1.00 0.58 C +ATOM 633 OG SER A 69 2.127 -2.366 -10.033 1.00 0.90 O +ATOM 634 H01 SER A 69 4.275 -0.579 -7.664 1.00 0.39 H +ATOM 635 N VAL A 70 1.509 -0.818 -6.106 1.00 0.34 N +ATOM 636 CA VAL A 70 0.544 -0.662 -4.984 1.00 0.27 C +ATOM 637 C VAL A 70 0.107 0.793 -4.912 1.00 0.20 C +ATOM 638 O VAL A 70 -1.057 1.098 -4.748 1.00 0.20 O +ATOM 639 CB VAL A 70 1.215 -1.063 -3.671 1.00 0.31 C +ATOM 640 CG1 VAL A 70 0.288 -0.737 -2.499 1.00 0.29 C +ATOM 641 CG2 VAL A 70 1.504 -2.565 -3.687 1.00 0.41 C +ATOM 642 H01 VAL A 70 2.403 -1.260 -5.947 1.00 0.34 H +ATOM 643 N LEU A 71 1.033 1.696 -5.048 1.00 0.24 N +ATOM 644 CA LEU A 71 0.663 3.134 -5.002 1.00 0.23 C +ATOM 645 C LEU A 71 -0.340 3.411 -6.113 1.00 0.23 C +ATOM 646 O LEU A 71 -1.335 4.061 -5.909 1.00 0.23 O +ATOM 647 CB LEU A 71 1.897 3.996 -5.229 1.00 0.30 C +ATOM 648 CG LEU A 71 1.476 5.464 -5.305 1.00 0.35 C +ATOM 649 CD1 LEU A 71 1.177 5.986 -3.899 1.00 0.36 C +ATOM 650 CD2 LEU A 71 2.605 6.290 -5.924 1.00 0.43 C +ATOM 651 H01 LEU A 71 1.996 1.422 -5.184 1.00 0.24 H +ATOM 652 N GLN A 72 -0.083 2.914 -7.289 1.00 0.28 N +ATOM 653 CA GLN A 72 -1.027 3.138 -8.419 1.00 0.30 C +ATOM 654 C GLN A 72 -2.417 2.716 -7.977 1.00 0.25 C +ATOM 655 O GLN A 72 -3.408 3.314 -8.334 1.00 0.25 O +ATOM 656 CB GLN A 72 -0.583 2.279 -9.617 1.00 0.35 C +ATOM 657 CG GLN A 72 -1.789 1.868 -10.473 1.00 1.18 C +ATOM 658 CD GLN A 72 -1.304 1.317 -11.813 1.00 1.42 C +ATOM 659 NE2 GLN A 72 -1.144 0.029 -11.955 1.00 1.97 N +ATOM 660 OE1 GLN A 72 -1.069 2.064 -12.742 1.00 1.78 O +ATOM 661 H01 GLN A 72 0.759 2.375 -7.435 1.00 0.28 H +ATOM 662 N VAL A 73 -2.487 1.666 -7.230 1.00 0.23 N +ATOM 663 CA VAL A 73 -3.797 1.162 -6.774 1.00 0.20 C +ATOM 664 C VAL A 73 -4.352 2.055 -5.661 1.00 0.16 C +ATOM 665 O VAL A 73 -5.547 2.201 -5.514 1.00 0.16 O +ATOM 666 CB VAL A 73 -3.590 -0.254 -6.268 1.00 0.21 C +ATOM 667 CG1 VAL A 73 -4.840 -0.752 -5.547 1.00 0.20 C +ATOM 668 CG2 VAL A 73 -3.258 -1.151 -7.468 1.00 0.26 C +ATOM 669 H01 VAL A 73 -1.641 1.187 -6.956 1.00 0.23 H +ATOM 670 N PHE A 74 -3.501 2.649 -4.873 1.00 0.15 N +ATOM 671 CA PHE A 74 -4.001 3.529 -3.773 1.00 0.14 C +ATOM 672 C PHE A 74 -4.501 4.858 -4.358 1.00 0.16 C +ATOM 673 O PHE A 74 -5.460 5.440 -3.887 1.00 0.18 O +ATOM 674 CB PHE A 74 -2.868 3.807 -2.778 1.00 0.14 C +ATOM 675 CG PHE A 74 -2.926 2.806 -1.651 1.00 0.12 C +ATOM 676 CD1 PHE A 74 -3.895 2.932 -0.650 1.00 0.16 C +ATOM 677 CD2 PHE A 74 -2.007 1.751 -1.608 1.00 0.16 C +ATOM 678 CE1 PHE A 74 -3.946 2.003 0.395 1.00 0.18 C +ATOM 679 CE2 PHE A 74 -2.058 0.822 -0.563 1.00 0.19 C +ATOM 680 CZ PHE A 74 -3.027 0.949 0.439 1.00 0.19 C +ATOM 681 H01 PHE A 74 -2.509 2.515 -5.005 1.00 0.15 H +ATOM 682 N ARG A 75 -3.859 5.334 -5.388 1.00 0.19 N +ATOM 683 CA ARG A 75 -4.271 6.610 -6.018 1.00 0.23 C +ATOM 684 C ARG A 75 -5.453 6.341 -6.929 1.00 0.24 C +ATOM 685 O ARG A 75 -6.368 7.124 -7.030 1.00 0.33 O +ATOM 686 CB ARG A 75 -3.119 7.150 -6.851 1.00 0.26 C +ATOM 687 CG ARG A 75 -1.995 7.625 -5.930 1.00 0.54 C +ATOM 688 CD ARG A 75 -1.790 9.130 -6.107 1.00 1.28 C +ATOM 689 NE ARG A 75 -1.186 9.394 -7.445 1.00 1.38 N +ATOM 690 CZ ARG A 75 -1.177 10.604 -7.930 1.00 1.76 C +ATOM 691 NH1 ARG A 75 -1.310 11.627 -7.134 1.00 2.43 N1+ +ATOM 692 NH2 ARG A 75 -1.032 10.790 -9.212 1.00 2.43 N +ATOM 693 H01 ARG A 75 -3.070 4.826 -5.762 1.00 0.19 H +ATOM 694 N GLU A 76 -5.429 5.219 -7.581 1.00 0.22 N +ATOM 695 CA GLU A 76 -6.544 4.838 -8.482 1.00 0.23 C +ATOM 696 C GLU A 76 -7.787 4.692 -7.616 1.00 0.21 C +ATOM 697 O GLU A 76 -8.839 5.219 -7.917 1.00 0.23 O +ATOM 698 CB GLU A 76 -6.206 3.501 -9.129 1.00 0.24 C +ATOM 699 CG GLU A 76 -5.555 3.723 -10.494 1.00 0.30 C +ATOM 700 CD GLU A 76 -6.631 4.058 -11.527 1.00 0.89 C +ATOM 701 OE1 GLU A 76 -7.781 3.734 -11.282 1.00 1.65 O +ATOM 702 OE2 GLU A 76 -6.286 4.632 -12.547 1.00 1.48 O1- +ATOM 703 H01 GLU A 76 -4.641 4.597 -7.473 1.00 0.22 H +ATOM 704 N ALA A 77 -7.653 4.005 -6.512 1.00 0.18 N +ATOM 705 CA ALA A 77 -8.796 3.857 -5.591 1.00 0.17 C +ATOM 706 C ALA A 77 -9.143 5.259 -5.113 1.00 0.19 C +ATOM 707 O ALA A 77 -10.294 5.632 -5.003 1.00 0.20 O +ATOM 708 CB ALA A 77 -8.403 2.975 -4.403 1.00 0.17 C +ATOM 709 H01 ALA A 77 -6.766 3.575 -6.289 1.00 0.18 H +ATOM 710 N LYS A 78 -8.133 6.059 -4.876 1.00 0.21 N +ATOM 711 CA LYS A 78 -8.377 7.464 -4.462 1.00 0.24 C +ATOM 712 C LYS A 78 -9.200 8.121 -5.560 1.00 0.28 C +ATOM 713 O LYS A 78 -9.990 9.016 -5.336 1.00 0.32 O +ATOM 714 CB LYS A 78 -7.038 8.187 -4.372 1.00 0.26 C +ATOM 715 CG LYS A 78 -7.077 9.218 -3.247 1.00 0.32 C +ATOM 716 CD LYS A 78 -7.173 10.619 -3.855 1.00 0.70 C +ATOM 717 CE LYS A 78 -7.216 11.663 -2.738 1.00 0.99 C +ATOM 718 NZ LYS A 78 -6.353 12.821 -3.109 1.00 1.50 N1+ +ATOM 719 H01 LYS A 78 -7.187 5.720 -4.975 1.00 0.21 H +ATOM 720 N ALA A 79 -8.984 7.664 -6.756 1.00 0.28 N +ATOM 721 CA ALA A 79 -9.690 8.204 -7.933 1.00 0.33 C +ATOM 722 C ALA A 79 -11.110 7.645 -7.972 1.00 0.32 C +ATOM 723 O ALA A 79 -12.027 8.262 -8.477 1.00 0.38 O +ATOM 724 CB ALA A 79 -8.920 7.757 -9.173 1.00 0.35 C +ATOM 725 H01 ALA A 79 -8.314 6.919 -6.884 1.00 0.28 H +ATOM 726 N GLU A 80 -11.285 6.472 -7.440 1.00 0.28 N +ATOM 727 CA GLU A 80 -12.620 5.829 -7.425 1.00 0.29 C +ATOM 728 C GLU A 80 -13.585 6.626 -6.544 1.00 0.37 C +ATOM 729 O GLU A 80 -14.762 6.332 -6.476 1.00 0.68 O +ATOM 730 CB GLU A 80 -12.466 4.417 -6.865 1.00 0.32 C +ATOM 731 CG GLU A 80 -12.076 3.469 -7.995 1.00 0.45 C +ATOM 732 CD GLU A 80 -13.336 2.876 -8.627 1.00 0.67 C +ATOM 733 OE1 GLU A 80 -13.927 3.543 -9.460 1.00 1.40 O +ATOM 734 OE2 GLU A 80 -13.688 1.764 -8.269 1.00 1.30 O1- +ATOM 735 H01 GLU A 80 -10.498 5.991 -7.030 1.00 0.28 H +ATOM 736 N GLY A 81 -13.098 7.621 -5.858 1.00 0.39 N +ATOM 737 CA GLY A 81 -13.987 8.421 -4.973 1.00 0.45 C +ATOM 738 C GLY A 81 -13.572 8.186 -3.522 1.00 0.39 C +ATOM 739 O GLY A 81 -13.963 8.908 -2.626 1.00 0.45 O +ATOM 740 H01 GLY A 81 -12.117 7.849 -5.927 1.00 0.39 H +ATOM 741 N CYS A 82 -12.776 7.179 -3.288 1.00 0.41 N +ATOM 742 CA CYS A 82 -12.322 6.888 -1.905 1.00 0.38 C +ATOM 743 C CYS A 82 -11.476 8.057 -1.395 1.00 0.38 C +ATOM 744 O CYS A 82 -10.977 8.854 -2.164 1.00 0.49 O +ATOM 745 CB CYS A 82 -11.480 5.614 -1.920 1.00 0.39 C +ATOM 746 SG CYS A 82 -12.566 4.168 -1.820 1.00 0.63 S +ATOM 747 H01 CYS A 82 -12.467 6.595 -4.052 1.00 0.41 H +ATOM 748 N ASP A 83 -11.316 8.173 -0.105 1.00 0.32 N +ATOM 749 CA ASP A 83 -10.510 9.298 0.444 1.00 0.37 C +ATOM 750 C ASP A 83 -9.188 8.769 1.009 1.00 0.36 C +ATOM 751 O ASP A 83 -8.935 8.844 2.195 1.00 0.57 O +ATOM 752 CB ASP A 83 -11.305 9.984 1.553 1.00 0.42 C +ATOM 753 CG ASP A 83 -10.709 11.364 1.834 1.00 0.53 C +ATOM 754 OD1 ASP A 83 -9.782 11.437 2.624 1.00 1.11 O +ATOM 755 OD2 ASP A 83 -11.191 12.324 1.255 1.00 1.30 O1- +ATOM 756 H01 ASP A 83 -11.738 7.501 0.520 1.00 0.32 H +ATOM 757 N ILE A 84 -8.339 8.244 0.168 1.00 0.33 N +ATOM 758 CA ILE A 84 -7.028 7.720 0.652 1.00 0.31 C +ATOM 759 C ILE A 84 -5.965 8.818 0.503 1.00 0.34 C +ATOM 760 O ILE A 84 -5.289 8.905 -0.503 1.00 0.67 O +ATOM 761 CB ILE A 84 -6.622 6.513 -0.191 1.00 0.30 C +ATOM 762 CG1 ILE A 84 -7.546 5.345 0.117 1.00 0.50 C +ATOM 763 CG2 ILE A 84 -5.182 6.114 0.131 1.00 0.28 C +ATOM 764 CD1 ILE A 84 -8.049 4.762 -1.198 1.00 0.34 C +ATOM 765 H01 ILE A 84 -8.570 8.192 -0.814 1.00 0.33 H +ATOM 766 N THR A 85 -5.813 9.657 1.490 1.00 0.49 N +ATOM 767 CA THR A 85 -4.796 10.748 1.400 1.00 0.50 C +ATOM 768 C THR A 85 -3.430 10.156 1.047 1.00 0.47 C +ATOM 769 O THR A 85 -2.721 9.661 1.897 1.00 0.60 O +ATOM 770 CB THR A 85 -4.702 11.468 2.749 1.00 0.61 C +ATOM 771 CG2 THR A 85 -3.458 12.361 2.773 1.00 0.55 C +ATOM 772 OG1 THR A 85 -5.862 12.265 2.940 1.00 0.76 O +ATOM 773 H01 THR A 85 -6.385 9.569 2.318 1.00 0.49 H +ATOM 774 N ILE A 86 -3.051 10.211 -0.200 1.00 0.41 N +ATOM 775 CA ILE A 86 -1.727 9.654 -0.602 1.00 0.40 C +ATOM 776 C ILE A 86 -0.610 10.583 -0.118 1.00 0.44 C +ATOM 777 O ILE A 86 -0.489 11.706 -0.564 1.00 0.59 O +ATOM 778 CB ILE A 86 -1.665 9.540 -2.126 1.00 0.38 C +ATOM 779 CG1 ILE A 86 -2.821 8.668 -2.620 1.00 0.74 C +ATOM 780 CG2 ILE A 86 -0.331 8.915 -2.540 1.00 0.93 C +ATOM 781 CD1 ILE A 86 -2.613 7.223 -2.166 1.00 0.32 C +ATOM 782 H01 ILE A 86 -3.654 10.631 -0.893 1.00 0.41 H +ATOM 783 N ILE A 87 0.212 10.123 0.786 1.00 0.39 N +ATOM 784 CA ILE A 87 1.322 10.982 1.287 1.00 0.44 C +ATOM 785 C ILE A 87 2.659 10.368 0.860 1.00 0.44 C +ATOM 786 O ILE A 87 3.132 9.413 1.442 1.00 0.55 O +ATOM 787 CB ILE A 87 1.247 11.073 2.813 1.00 0.46 C +ATOM 788 CG1 ILE A 87 0.091 11.995 3.208 1.00 0.57 C +ATOM 789 CG2 ILE A 87 2.556 11.640 3.362 1.00 0.55 C +ATOM 790 CD1 ILE A 87 -0.237 11.800 4.689 1.00 0.61 C +ATOM 791 H01 ILE A 87 0.096 9.186 1.145 1.00 0.39 H +ATOM 792 N LEU A 88 3.259 10.902 -0.170 1.00 0.50 N +ATOM 793 CA LEU A 88 4.552 10.348 -0.662 1.00 0.52 C +ATOM 794 C LEU A 88 5.728 11.146 -0.093 1.00 0.56 C +ATOM 795 O LEU A 88 5.984 12.263 -0.495 1.00 0.80 O +ATOM 796 CB LEU A 88 4.558 10.413 -2.173 1.00 0.59 C +ATOM 797 CG LEU A 88 3.653 9.297 -2.669 1.00 0.82 C +ATOM 798 CD1 LEU A 88 2.691 9.851 -3.697 1.00 0.94 C +ATOM 799 CD2 LEU A 88 4.496 8.193 -3.286 1.00 1.57 C +ATOM 800 H01 LEU A 88 2.844 11.696 -0.636 1.00 0.50 H +ATOM 801 N SER A 89 6.445 10.581 0.841 1.00 0.55 N +ATOM 802 CA SER A 89 7.604 11.308 1.435 1.00 0.62 C +ATOM 803 C SER A 89 8.908 10.659 0.968 1.00 0.85 C +ATOM 804 O SER A 89 8.935 9.445 0.852 1.00 1.41 O +ATOM 805 CB SER A 89 7.520 11.241 2.961 1.00 0.87 C +ATOM 806 OG SER A 89 7.246 12.538 3.473 1.00 1.64 O +ATOM 807 OXT SER A 89 9.859 11.388 0.735 1.00 1.52 O1- +ATOM 808 H01 SER A 89 6.215 9.651 1.161 1.00 0.55 H +TER +END diff --git a/data/test.pdb b/data/test.pdb new file mode 100644 index 0000000..1748bed --- /dev/null +++ b/data/test.pdb @@ -0,0 +1,1327 @@ +ATOM 1 N LYS A 1 -8.655 5.770 8.371 1.00 1.40 N +ATOM 2 CA LYS A 1 -7.542 5.187 9.163 1.00 0.52 C +ATOM 3 C LYS A 1 -6.210 5.619 8.561 1.00 0.39 C +ATOM 4 O LYS A 1 -6.156 6.468 7.693 1.00 0.33 O +ATOM 5 CB LYS A 1 -7.641 3.666 9.159 1.00 1.53 C +ATOM 6 CG LYS A 1 -7.750 3.179 10.602 1.00 2.38 C +ATOM 7 CD LYS A 1 -9.158 3.466 11.126 1.00 3.11 C +ATOM 8 CE LYS A 1 -9.145 4.744 11.965 1.00 3.58 C +ATOM 9 NZ LYS A 1 -9.497 4.416 13.375 1.00 4.21 N1+ +ATOM 10 H01 LYS A 1 -8.337 6.612 7.912 1.00 1.40 H +ATOM 11 H02 LYS A 1 -8.961 5.103 7.677 1.00 1.40 H +ATOM 12 H03 LYS A 1 -7.608 5.543 10.191 1.00 0.52 H +ATOM 13 H04 LYS A 1 -6.756 3.238 8.688 1.00 1.53 H +ATOM 14 H05 LYS A 1 -8.523 3.357 8.599 1.00 1.53 H +ATOM 15 H06 LYS A 1 -7.017 3.699 11.219 1.00 2.38 H +ATOM 16 H07 LYS A 1 -7.557 2.107 10.641 1.00 2.38 H +ATOM 17 H08 LYS A 1 -9.490 2.632 11.744 1.00 3.11 H +ATOM 18 H09 LYS A 1 -9.840 3.591 10.285 1.00 3.11 H +ATOM 19 H10 LYS A 1 -9.873 5.449 11.564 1.00 3.58 H +ATOM 20 H11 LYS A 1 -8.151 5.191 11.932 1.00 3.58 H +ATOM 21 H12 LYS A 1 -10.456 4.102 13.418 1.00 4.21 H +ATOM 22 H13 LYS A 1 -8.888 3.684 13.713 1.00 4.21 H +ATOM 23 H14 LYS A 1 -9.387 5.239 13.950 1.00 4.21 H +ATOM 24 N LYS A 2 -5.128 5.066 9.028 1.00 0.51 N +ATOM 25 CA LYS A 2 -3.813 5.485 8.490 1.00 0.44 C +ATOM 26 C LYS A 2 -2.931 4.277 8.172 1.00 0.41 C +ATOM 27 O LYS A 2 -3.040 3.218 8.757 1.00 0.58 O +ATOM 28 CB LYS A 2 -3.138 6.383 9.534 1.00 0.63 C +ATOM 29 CG LYS A 2 -1.624 6.134 9.604 1.00 1.04 C +ATOM 30 CD LYS A 2 -0.967 7.224 10.453 1.00 0.93 C +ATOM 31 CE LYS A 2 0.116 7.929 9.634 1.00 0.63 C +ATOM 32 NZ LYS A 2 1.057 8.630 10.551 1.00 1.43 N1+ +ATOM 33 H01 LYS A 2 -3.957 6.029 7.557 1.00 0.44 H +ATOM 34 H02 LYS A 2 -3.566 6.150 10.509 1.00 0.63 H +ATOM 35 H03 LYS A 2 -3.313 7.426 9.270 1.00 0.63 H +ATOM 36 H04 LYS A 2 -1.205 6.156 8.598 1.00 1.04 H +ATOM 37 H05 LYS A 2 -1.436 5.159 10.054 1.00 1.04 H +ATOM 38 H06 LYS A 2 -0.516 6.772 11.336 1.00 0.93 H +ATOM 39 H07 LYS A 2 -1.721 7.949 10.760 1.00 0.93 H +ATOM 40 H08 LYS A 2 -0.349 8.655 8.968 1.00 0.63 H +ATOM 41 H09 LYS A 2 0.663 7.193 9.044 1.00 0.63 H +ATOM 42 H10 LYS A 2 1.876 8.920 10.035 1.00 1.43 H +ATOM 43 H11 LYS A 2 0.603 9.442 10.944 1.00 1.43 H +ATOM 44 H12 LYS A 2 1.332 8.004 11.295 1.00 1.43 H +ATOM 45 H15 LYS A 2 -5.184 4.360 9.748 1.00 0.51 H +ATOM 46 N ALA A 3 -2.040 4.474 7.250 1.00 0.27 N +ATOM 47 CA ALA A 3 -1.086 3.403 6.848 1.00 0.30 C +ATOM 48 C ALA A 3 0.316 4.013 6.751 1.00 0.30 C +ATOM 49 O ALA A 3 0.469 5.207 6.586 1.00 0.54 O +ATOM 50 CB ALA A 3 -1.491 2.834 5.486 1.00 0.34 C +ATOM 51 H01 ALA A 3 -1.097 2.600 7.584 1.00 0.30 H +ATOM 52 H02 ALA A 3 -2.346 3.389 5.101 1.00 0.34 H +ATOM 53 H03 ALA A 3 -0.656 2.925 4.791 1.00 0.34 H +ATOM 54 H04 ALA A 3 -1.760 1.784 5.596 1.00 0.34 H +ATOM 55 H13 ALA A 3 -1.992 5.374 6.794 1.00 0.27 H +ATOM 56 N VAL A 4 1.342 3.214 6.860 1.00 0.30 N +ATOM 57 CA VAL A 4 2.725 3.769 6.780 1.00 0.27 C +ATOM 58 C VAL A 4 3.643 2.773 6.074 1.00 0.26 C +ATOM 59 O VAL A 4 3.842 1.667 6.535 1.00 0.33 O +ATOM 60 CB VAL A 4 3.250 4.021 8.194 1.00 0.30 C +ATOM 61 CG1 VAL A 4 4.617 4.709 8.122 1.00 0.35 C +ATOM 62 CG2 VAL A 4 2.262 4.915 8.946 1.00 0.35 C +ATOM 63 H01 VAL A 4 2.706 4.703 6.219 1.00 0.27 H +ATOM 64 H02 VAL A 4 3.356 3.072 8.719 1.00 0.30 H +ATOM 65 H03 VAL A 4 5.346 4.023 7.691 1.00 0.35 H +ATOM 66 H04 VAL A 4 4.544 5.600 7.498 1.00 0.35 H +ATOM 67 H05 VAL A 4 1.201 2.224 6.998 1.00 0.30 H +ATOM 68 H06 VAL A 4 4.935 4.993 9.125 1.00 0.35 H +ATOM 69 H07 VAL A 4 1.323 4.380 9.086 1.00 0.35 H +ATOM 70 H08 VAL A 4 2.677 5.179 9.919 1.00 0.35 H +ATOM 71 H09 VAL A 4 2.081 5.822 8.370 1.00 0.35 H +ATOM 72 N ILE A 5 4.210 3.153 4.961 1.00 0.23 N +ATOM 73 CA ILE A 5 5.117 2.213 4.245 1.00 0.23 C +ATOM 74 C ILE A 5 6.570 2.567 4.552 1.00 0.25 C +ATOM 75 O ILE A 5 7.176 3.388 3.893 1.00 0.27 O +ATOM 76 CB ILE A 5 4.879 2.300 2.742 1.00 0.23 C +ATOM 77 CG1 ILE A 5 3.360 2.231 2.478 1.00 0.23 C +ATOM 78 CG2 ILE A 5 5.620 1.142 2.061 1.00 0.24 C +ATOM 79 CD1 ILE A 5 3.034 1.246 1.346 1.00 0.22 C +ATOM 80 H01 ILE A 5 4.911 1.197 4.581 1.00 0.23 H +ATOM 81 H02 ILE A 5 5.257 3.238 2.336 1.00 0.23 H +ATOM 82 H03 ILE A 5 3.018 3.222 2.180 1.00 0.23 H +ATOM 83 H04 ILE A 5 2.855 1.907 3.388 1.00 0.23 H +ATOM 84 H05 ILE A 5 6.599 1.016 2.523 1.00 0.24 H +ATOM 85 H06 ILE A 5 5.044 0.224 2.176 1.00 0.24 H +ATOM 86 H07 ILE A 5 5.744 1.363 1.001 1.00 0.24 H +ATOM 87 H08 ILE A 5 2.187 1.621 0.772 1.00 0.22 H +ATOM 88 H09 ILE A 5 3.900 1.145 0.691 1.00 0.22 H +ATOM 89 H10 ILE A 5 4.035 4.076 4.589 1.00 0.23 H +ATOM 90 H11 ILE A 5 2.783 0.274 1.770 1.00 0.22 H +ATOM 91 N ASN A 6 7.134 1.947 5.547 1.00 0.27 N +ATOM 92 CA ASN A 6 8.545 2.232 5.905 1.00 0.31 C +ATOM 93 C ASN A 6 9.466 1.399 5.009 1.00 0.31 C +ATOM 94 O ASN A 6 9.611 0.207 5.189 1.00 0.35 O +ATOM 95 CB ASN A 6 8.759 1.859 7.370 1.00 0.37 C +ATOM 96 CG ASN A 6 8.067 2.890 8.264 1.00 0.65 C +ATOM 97 ND2 ASN A 6 8.054 2.711 9.557 1.00 1.13 N +ATOM 98 OD1 ASN A 6 7.534 3.869 7.782 1.00 1.48 O +ATOM 99 H01 ASN A 6 8.771 3.289 5.762 1.00 0.31 H +ATOM 100 H02 ASN A 6 9.827 1.846 7.590 1.00 0.37 H +ATOM 101 H03 ASN A 6 8.338 0.872 7.560 1.00 0.37 H +ATOM 102 H04 ASN A 6 7.600 3.386 10.156 1.00 1.13 H +ATOM 103 H05 ASN A 6 8.498 1.897 9.959 1.00 1.13 H +ATOM 104 H12 ASN A 6 6.608 1.268 6.079 1.00 0.27 H +ATOM 105 N GLY A 7 10.078 2.017 4.035 1.00 0.33 N +ATOM 106 CA GLY A 7 10.976 1.261 3.114 1.00 0.36 C +ATOM 107 C GLY A 7 12.182 0.718 3.879 1.00 0.35 C +ATOM 108 O GLY A 7 12.583 -0.414 3.694 1.00 0.46 O +ATOM 109 H01 GLY A 7 11.326 1.932 2.330 1.00 0.36 H +ATOM 110 H02 GLY A 7 10.424 0.430 2.674 1.00 0.36 H +ATOM 111 H06 GLY A 7 9.943 3.009 3.905 1.00 0.33 H +ATOM 112 N GLU A 8 12.767 1.509 4.735 1.00 0.38 N +ATOM 113 CA GLU A 8 13.946 1.022 5.505 1.00 0.43 C +ATOM 114 C GLU A 8 13.659 -0.390 6.019 1.00 0.39 C +ATOM 115 O GLU A 8 14.559 -1.170 6.260 1.00 0.45 O +ATOM 116 CB GLU A 8 14.207 1.950 6.696 1.00 0.53 C +ATOM 117 CG GLU A 8 14.064 3.409 6.256 1.00 1.39 C +ATOM 118 CD GLU A 8 14.660 4.324 7.328 1.00 1.74 C +ATOM 119 OE1 GLU A 8 14.225 4.232 8.464 1.00 2.30 O +ATOM 120 OE2 GLU A 8 15.540 5.100 6.994 1.00 2.19 O1- +ATOM 121 H01 GLU A 8 14.823 1.012 4.858 1.00 0.43 H +ATOM 122 H02 GLU A 8 15.218 1.783 7.068 1.00 0.53 H +ATOM 123 H03 GLU A 8 12.422 2.448 4.875 1.00 0.38 H +ATOM 124 H04 GLU A 8 13.487 1.737 7.486 1.00 0.53 H +ATOM 125 H05 GLU A 8 13.009 3.646 6.121 1.00 1.39 H +ATOM 126 H06 GLU A 8 14.592 3.559 5.314 1.00 1.39 H +ATOM 127 N GLN A 9 12.408 -0.720 6.195 1.00 0.35 N +ATOM 128 CA GLN A 9 12.051 -2.069 6.699 1.00 0.38 C +ATOM 129 C GLN A 9 11.745 -3.001 5.523 1.00 0.35 C +ATOM 130 O GLN A 9 12.213 -4.121 5.468 1.00 0.40 O +ATOM 131 CB GLN A 9 10.811 -1.937 7.578 1.00 0.43 C +ATOM 132 CG GLN A 9 11.027 -0.819 8.600 1.00 0.50 C +ATOM 133 CD GLN A 9 11.790 -1.365 9.805 1.00 1.06 C +ATOM 134 NE2 GLN A 9 11.151 -2.059 10.705 1.00 1.49 N +ATOM 135 OE1 GLN A 9 12.979 -1.155 9.931 1.00 1.97 O +ATOM 136 H01 GLN A 9 12.881 -2.485 7.270 1.00 0.38 H +ATOM 137 H02 GLN A 9 10.634 -2.877 8.100 1.00 0.43 H +ATOM 138 H03 GLN A 9 9.948 -1.700 6.956 1.00 0.43 H +ATOM 139 H04 GLN A 9 10.060 -0.437 8.928 1.00 0.50 H +ATOM 140 H05 GLN A 9 11.601 -0.014 8.141 1.00 0.50 H +ATOM 141 H06 GLN A 9 11.646 -2.423 11.507 1.00 1.49 H +ATOM 142 H07 GLN A 9 11.679 -0.053 5.987 1.00 0.35 H +ATOM 143 H08 GLN A 9 10.161 -2.232 10.601 1.00 1.49 H +ATOM 144 N ILE A 10 10.952 -2.550 4.591 1.00 0.32 N +ATOM 145 CA ILE A 10 10.597 -3.408 3.424 1.00 0.34 C +ATOM 146 C ILE A 10 11.825 -4.171 2.934 1.00 0.31 C +ATOM 147 O ILE A 10 12.893 -3.617 2.765 1.00 0.35 O +ATOM 148 CB ILE A 10 10.059 -2.546 2.281 1.00 0.37 C +ATOM 149 CG1 ILE A 10 8.683 -2.005 2.655 1.00 0.51 C +ATOM 150 CG2 ILE A 10 9.933 -3.402 1.018 1.00 0.35 C +ATOM 151 CD1 ILE A 10 7.689 -3.158 2.715 1.00 0.78 C +ATOM 152 H01 ILE A 10 9.831 -4.116 3.741 1.00 0.34 H +ATOM 153 H02 ILE A 10 10.742 -1.716 2.100 1.00 0.37 H +ATOM 154 H03 ILE A 10 8.359 -1.282 1.907 1.00 0.51 H +ATOM 155 H04 ILE A 10 8.735 -1.517 3.628 1.00 0.51 H +ATOM 156 H05 ILE A 10 9.332 -2.872 0.279 1.00 0.35 H +ATOM 157 H06 ILE A 10 10.925 -3.594 0.608 1.00 0.35 H +ATOM 158 H07 ILE A 10 9.452 -4.348 1.266 1.00 0.35 H +ATOM 159 H08 ILE A 10 6.776 -2.877 2.191 1.00 0.78 H +ATOM 160 H09 ILE A 10 10.576 -1.615 4.660 1.00 0.32 H +ATOM 161 H10 ILE A 10 8.123 -4.038 2.241 1.00 0.78 H +ATOM 162 H11 ILE A 10 7.455 -3.383 3.756 1.00 0.78 H +ATOM 163 N ARG A 11 11.668 -5.440 2.692 1.00 0.33 N +ATOM 164 CA ARG A 11 12.794 -6.261 2.200 1.00 0.37 C +ATOM 165 C ARG A 11 12.423 -6.834 0.830 1.00 0.39 C +ATOM 166 O ARG A 11 13.251 -7.368 0.120 1.00 0.48 O +ATOM 167 CB ARG A 11 13.035 -7.400 3.184 1.00 0.50 C +ATOM 168 CG ARG A 11 13.677 -6.844 4.458 1.00 0.57 C +ATOM 169 CD ARG A 11 15.105 -7.376 4.589 1.00 1.27 C +ATOM 170 NE ARG A 11 15.489 -7.404 6.030 1.00 1.87 N +ATOM 171 CZ ARG A 11 16.544 -8.065 6.417 1.00 2.53 C +ATOM 172 H01 ARG A 11 13.697 -5.657 2.111 1.00 0.37 H +ATOM 173 H02 ARG A 11 13.700 -8.136 2.733 1.00 0.50 H +ATOM 174 H03 ARG A 11 12.086 -7.875 3.432 1.00 0.50 H +ATOM 175 H04 ARG A 11 13.094 -7.159 5.323 1.00 0.57 H +ATOM 176 H05 ARG A 11 13.698 -5.755 4.409 1.00 0.57 H +ATOM 177 H06 ARG A 11 15.788 -6.727 4.041 1.00 1.27 H +ATOM 178 H07 ARG A 11 15.158 -8.384 4.177 1.00 1.27 H +ATOM 179 H08 ARG A 11 15.627 -6.444 6.313 1.00 1.87 H +ATOM 180 H09 ARG A 11 17.345 -7.364 6.652 1.00 2.53 H +ATOM 181 H10 ARG A 11 16.302 -8.650 7.304 1.00 2.53 H +ATOM 182 H11 ARG A 11 16.868 -8.733 5.619 1.00 2.53 H +ATOM 183 H12 ARG A 11 10.766 -5.869 2.842 1.00 0.33 H +ATOM 184 N SER A 12 11.174 -6.725 0.458 1.00 0.37 N +ATOM 185 CA SER A 12 10.732 -7.258 -0.860 1.00 0.45 C +ATOM 186 C SER A 12 9.270 -6.869 -1.096 1.00 0.42 C +ATOM 187 O SER A 12 8.619 -6.289 -0.242 1.00 0.37 O +ATOM 188 CB SER A 12 10.862 -8.781 -0.865 1.00 0.56 C +ATOM 189 OG SER A 12 11.282 -9.221 0.419 1.00 1.44 O +ATOM 190 H01 SER A 12 11.355 -6.840 -1.651 1.00 0.45 H +ATOM 191 H02 SER A 12 11.597 -9.082 -1.612 1.00 0.56 H +ATOM 192 H03 SER A 12 9.898 -9.229 -1.107 1.00 0.56 H +ATOM 193 H04 SER A 12 11.517 -10.151 0.378 1.00 1.44 H +ATOM 194 H12 SER A 12 10.506 -6.277 1.068 1.00 0.37 H +ATOM 195 N ILE A 13 8.741 -7.185 -2.245 1.00 0.47 N +ATOM 196 CA ILE A 13 7.324 -6.831 -2.520 1.00 0.46 C +ATOM 197 C ILE A 13 6.445 -7.446 -1.435 1.00 0.41 C +ATOM 198 O ILE A 13 5.579 -6.799 -0.887 1.00 0.36 O +ATOM 199 CB ILE A 13 6.908 -7.370 -3.892 1.00 0.56 C +ATOM 200 CG1 ILE A 13 5.570 -6.749 -4.313 1.00 0.63 C +ATOM 201 CG2 ILE A 13 6.753 -8.888 -3.812 1.00 0.64 C +ATOM 202 CD1 ILE A 13 5.564 -5.246 -4.010 1.00 0.57 C +ATOM 203 H01 ILE A 13 7.209 -5.747 -2.520 1.00 0.46 H +ATOM 204 H02 ILE A 13 7.672 -7.112 -4.625 1.00 0.56 H +ATOM 205 H03 ILE A 13 4.765 -7.227 -3.754 1.00 0.63 H +ATOM 206 H04 ILE A 13 5.422 -6.902 -5.382 1.00 0.63 H +ATOM 207 H05 ILE A 13 9.290 -7.667 -2.943 1.00 0.47 H +ATOM 208 H06 ILE A 13 5.818 -9.183 -4.288 1.00 0.64 H +ATOM 209 H07 ILE A 13 7.588 -9.367 -4.324 1.00 0.64 H +ATOM 210 H08 ILE A 13 6.741 -9.198 -2.767 1.00 0.64 H +ATOM 211 H09 ILE A 13 4.768 -4.765 -4.579 1.00 0.57 H +ATOM 212 H10 ILE A 13 5.394 -5.090 -2.945 1.00 0.57 H +ATOM 213 H11 ILE A 13 6.524 -4.814 -4.292 1.00 0.57 H +ATOM 214 N SER A 14 6.669 -8.690 -1.109 1.00 0.46 N +ATOM 215 CA SER A 14 5.851 -9.332 -0.047 1.00 0.44 C +ATOM 216 C SER A 14 5.859 -8.424 1.179 1.00 0.37 C +ATOM 217 O SER A 14 4.837 -8.162 1.781 1.00 0.35 O +ATOM 218 CB SER A 14 6.453 -10.689 0.312 1.00 0.50 C +ATOM 219 OG SER A 14 5.481 -11.469 0.996 1.00 1.07 O +ATOM 220 H01 SER A 14 4.829 -9.481 -0.396 1.00 0.44 H +ATOM 221 H02 SER A 14 7.322 -10.544 0.954 1.00 0.50 H +ATOM 222 H03 SER A 14 6.759 -11.204 -0.598 1.00 0.50 H +ATOM 223 H04 SER A 14 5.303 -11.079 1.855 1.00 1.07 H +ATOM 224 H12 SER A 14 7.395 -9.214 -1.576 1.00 0.46 H +ATOM 225 N ASP A 15 7.009 -7.928 1.541 1.00 0.34 N +ATOM 226 CA ASP A 15 7.097 -7.021 2.709 1.00 0.30 C +ATOM 227 C ASP A 15 6.187 -5.819 2.475 1.00 0.24 C +ATOM 228 O ASP A 15 5.470 -5.386 3.353 1.00 0.23 O +ATOM 229 CB ASP A 15 8.536 -6.538 2.871 1.00 0.30 C +ATOM 230 CG ASP A 15 9.056 -6.939 4.254 1.00 0.33 C +ATOM 231 OD1 ASP A 15 8.483 -7.843 4.840 1.00 1.17 O +ATOM 232 OD2 ASP A 15 10.015 -6.335 4.705 1.00 1.08 O1- +ATOM 233 H01 ASP A 15 6.788 -7.551 3.610 1.00 0.30 H +ATOM 234 H02 ASP A 15 8.568 -5.453 2.771 1.00 0.30 H +ATOM 235 H03 ASP A 15 9.161 -6.991 2.102 1.00 0.30 H +ATOM 236 H05 ASP A 15 7.844 -8.163 1.023 1.00 0.34 H +ATOM 237 N LEU A 16 6.211 -5.283 1.288 1.00 0.25 N +ATOM 238 CA LEU A 16 5.347 -4.111 0.980 1.00 0.23 C +ATOM 239 C LEU A 16 3.898 -4.464 1.298 1.00 0.22 C +ATOM 240 O LEU A 16 3.233 -3.804 2.073 1.00 0.21 O +ATOM 241 CB LEU A 16 5.470 -3.779 -0.505 1.00 0.28 C +ATOM 242 CG LEU A 16 4.802 -2.436 -0.784 1.00 0.31 C +ATOM 243 CD1 LEU A 16 5.341 -1.386 0.188 1.00 0.31 C +ATOM 244 CD2 LEU A 16 5.110 -2.013 -2.219 1.00 0.39 C +ATOM 245 H01 LEU A 16 5.657 -3.253 1.577 1.00 0.23 H +ATOM 246 H02 LEU A 16 3.446 -5.332 0.817 1.00 0.22 H +ATOM 247 H03 LEU A 16 4.981 -4.556 -1.092 1.00 0.28 H +ATOM 248 H04 LEU A 16 6.817 -5.664 0.575 1.00 0.25 H +ATOM 249 H05 LEU A 16 6.523 -3.725 -0.780 1.00 0.28 H +ATOM 250 H06 LEU A 16 3.724 -2.527 -0.653 1.00 0.31 H +ATOM 251 H07 LEU A 16 6.246 -0.941 -0.225 1.00 0.31 H +ATOM 252 H08 LEU A 16 4.591 -0.610 0.338 1.00 0.31 H +ATOM 253 H09 LEU A 16 5.572 -1.858 1.143 1.00 0.31 H +ATOM 254 H10 LEU A 16 6.150 -2.243 -2.450 1.00 0.39 H +ATOM 255 H11 LEU A 16 4.458 -2.554 -2.906 1.00 0.39 H +ATOM 256 H12 LEU A 16 4.943 -0.941 -2.326 1.00 0.39 H +ATOM 257 N GLN A 18 2.969 -6.639 3.055 1.00 0.19 N +ATOM 258 CA GLN A 18 2.905 -7.047 4.475 1.00 0.19 C +ATOM 259 C GLN A 18 2.501 -5.844 5.322 1.00 0.17 C +ATOM 260 O GLN A 18 1.541 -5.888 6.067 1.00 0.18 O +ATOM 261 CB GLN A 18 4.275 -7.553 4.927 1.00 0.21 C +ATOM 262 CG GLN A 18 4.092 -8.654 5.975 1.00 0.55 C +ATOM 263 CD GLN A 18 5.461 -9.139 6.452 1.00 1.31 C +ATOM 264 NE2 GLN A 18 5.626 -10.399 6.749 1.00 2.02 N +ATOM 265 OE1 GLN A 18 6.390 -8.363 6.557 1.00 2.11 O +ATOM 266 H01 GLN A 18 2.272 -5.930 2.876 1.00 0.19 H +ATOM 267 H02 GLN A 18 2.171 -7.844 4.594 1.00 0.19 H +ATOM 268 H03 GLN A 18 3.085 -4.926 5.258 1.00 0.17 H +ATOM 269 H04 GLN A 18 4.841 -6.729 5.361 1.00 0.21 H +ATOM 270 H05 GLN A 18 4.816 -7.953 4.070 1.00 0.21 H +ATOM 271 H06 GLN A 18 3.546 -9.488 5.533 1.00 0.55 H +ATOM 272 H07 GLN A 18 3.530 -8.260 6.822 1.00 0.55 H +ATOM 273 H08 GLN A 18 6.526 -10.729 7.066 1.00 2.02 H +ATOM 274 H09 GLN A 18 4.853 -11.044 6.662 1.00 2.02 H +ATOM 275 H13 GLN A 18 2.794 -7.440 2.466 1.00 0.19 H +ATOM 276 N LEU A 20 1.286 -3.056 4.258 1.00 0.16 N +ATOM 277 CA LEU A 20 -0.022 -2.590 3.751 1.00 0.18 C +ATOM 278 C LEU A 20 -1.104 -3.472 4.365 1.00 0.17 C +ATOM 279 O LEU A 20 -2.183 -3.040 4.683 1.00 0.24 O +ATOM 280 CB LEU A 20 -0.050 -2.738 2.232 1.00 0.19 C +ATOM 281 CG LEU A 20 0.878 -1.705 1.588 1.00 0.20 C +ATOM 282 CD1 LEU A 20 0.822 -1.851 0.068 1.00 0.23 C +ATOM 283 CD2 LEU A 20 0.434 -0.292 1.981 1.00 0.21 C +ATOM 284 H01 LEU A 20 1.621 -3.814 3.680 1.00 0.16 H +ATOM 285 H02 LEU A 20 -0.188 -1.545 4.014 1.00 0.18 H +ATOM 286 H03 LEU A 20 -1.067 -2.576 1.876 1.00 0.19 H +ATOM 287 H04 LEU A 20 0.281 -3.740 1.960 1.00 0.19 H +ATOM 288 H05 LEU A 20 1.898 -1.871 1.935 1.00 0.20 H +ATOM 289 H06 LEU A 20 0.692 -0.869 -0.386 1.00 0.23 H +ATOM 290 H07 LEU A 20 1.751 -2.296 -0.289 1.00 0.23 H +ATOM 291 H08 LEU A 20 -0.017 -2.491 -0.205 1.00 0.23 H +ATOM 292 H09 LEU A 20 -0.547 -0.338 2.453 1.00 0.21 H +ATOM 293 H10 LEU A 20 1.183 -3.378 5.210 1.00 0.16 H +ATOM 294 H11 LEU A 20 1.153 0.134 2.680 1.00 0.21 H +ATOM 295 H12 LEU A 20 0.379 0.333 1.090 1.00 0.21 H +ATOM 296 N LYS A 21 -0.794 -4.716 4.530 1.00 0.16 N +ATOM 297 CA LYS A 21 -1.760 -5.680 5.122 1.00 0.16 C +ATOM 298 C LYS A 21 -2.011 -5.324 6.586 1.00 0.17 C +ATOM 299 O LYS A 21 -3.123 -5.365 7.059 1.00 0.19 O +ATOM 300 CB LYS A 21 -1.173 -7.088 5.035 1.00 0.17 C +ATOM 301 CG LYS A 21 -2.174 -8.100 5.593 1.00 0.29 C +ATOM 302 CD LYS A 21 -1.414 -9.229 6.292 1.00 0.68 C +ATOM 303 CE LYS A 21 -2.407 -10.255 6.837 1.00 1.26 C +ATOM 304 NZ LYS A 21 -1.733 -11.101 7.860 1.00 1.94 N1+ +ATOM 305 H01 LYS A 21 -2.702 -5.636 4.576 1.00 0.16 H +ATOM 306 H02 LYS A 21 -0.253 -7.132 5.618 1.00 0.17 H +ATOM 307 H03 LYS A 21 -0.957 -7.327 3.994 1.00 0.17 H +ATOM 308 H04 LYS A 21 -2.771 -8.511 4.778 1.00 0.29 H +ATOM 309 H05 LYS A 21 -2.832 -7.606 6.308 1.00 0.29 H +ATOM 310 H06 LYS A 21 -0.831 -8.817 7.116 1.00 0.68 H +ATOM 311 H07 LYS A 21 -0.746 -9.713 5.580 1.00 0.68 H +ATOM 312 H08 LYS A 21 -2.764 -10.885 6.022 1.00 1.26 H +ATOM 313 H09 LYS A 21 -3.252 -9.738 7.291 1.00 1.26 H +ATOM 314 H10 LYS A 21 -0.887 -10.644 8.170 1.00 1.94 H +ATOM 315 H11 LYS A 21 -2.351 -11.234 8.648 1.00 1.94 H +ATOM 316 H12 LYS A 21 -1.502 -11.998 7.457 1.00 1.94 H +ATOM 317 H13 LYS A 21 0.121 -5.040 4.252 1.00 0.16 H +ATOM 318 N LYS A 22 -0.991 -4.980 7.317 1.00 0.18 N +ATOM 319 CA LYS A 22 -1.204 -4.631 8.741 1.00 0.20 C +ATOM 320 C LYS A 22 -2.006 -3.335 8.817 1.00 0.23 C +ATOM 321 O LYS A 22 -3.074 -3.277 9.390 1.00 0.29 O +ATOM 322 CB LYS A 22 0.142 -4.442 9.432 1.00 0.22 C +ATOM 323 CG LYS A 22 0.148 -5.278 10.717 1.00 0.83 C +ATOM 324 CD LYS A 22 1.553 -5.339 11.302 1.00 1.43 C +ATOM 325 CE LYS A 22 1.494 -6.033 12.671 1.00 2.18 C +ATOM 326 NZ LYS A 22 2.827 -6.602 13.001 1.00 2.84 N1+ +ATOM 327 H01 LYS A 22 -1.749 -5.433 9.239 1.00 0.20 H +ATOM 328 H02 LYS A 22 0.296 -3.389 9.670 1.00 0.22 H +ATOM 329 H03 LYS A 22 0.945 -4.773 8.773 1.00 0.22 H +ATOM 330 H04 LYS A 22 -0.182 -6.290 10.483 1.00 0.83 H +ATOM 331 H05 LYS A 22 -0.526 -4.825 11.444 1.00 0.83 H +ATOM 332 H06 LYS A 22 1.948 -4.330 11.417 1.00 1.43 H +ATOM 333 H07 LYS A 22 2.204 -5.902 10.633 1.00 1.43 H +ATOM 334 H08 LYS A 22 0.757 -6.835 12.638 1.00 2.18 H +ATOM 335 H09 LYS A 22 1.210 -5.308 13.434 1.00 2.18 H +ATOM 336 H10 LYS A 22 3.481 -5.851 13.169 1.00 2.84 H +ATOM 337 H11 LYS A 22 2.753 -7.175 13.829 1.00 2.84 H +ATOM 338 H12 LYS A 22 3.154 -7.165 12.229 1.00 2.84 H +ATOM 339 H13 LYS A 22 -0.064 -4.951 6.918 1.00 0.18 H +ATOM 340 N GLU A 23 -1.495 -2.303 8.219 1.00 0.22 N +ATOM 341 CA GLU A 23 -2.195 -1.004 8.212 1.00 0.26 C +ATOM 342 C GLU A 23 -3.621 -1.224 7.716 1.00 0.24 C +ATOM 343 O GLU A 23 -4.587 -1.066 8.436 1.00 0.27 O +ATOM 344 CB GLU A 23 -1.450 -0.080 7.250 1.00 0.29 C +ATOM 345 CG GLU A 23 -0.006 0.098 7.725 1.00 0.35 C +ATOM 346 CD GLU A 23 0.032 1.057 8.914 1.00 1.53 C +ATOM 347 OE1 GLU A 23 -1.026 1.364 9.438 1.00 2.29 O +ATOM 348 OE2 GLU A 23 1.120 1.471 9.280 1.00 2.27 O1- +ATOM 349 H01 GLU A 23 -2.224 -0.564 9.209 1.00 0.26 H +ATOM 350 H02 GLU A 23 -1.945 0.891 7.224 1.00 0.29 H +ATOM 351 H03 GLU A 23 -1.453 -0.516 6.251 1.00 0.29 H +ATOM 352 H04 GLU A 23 0.593 0.509 6.912 1.00 0.35 H +ATOM 353 H05 GLU A 23 0.399 -0.868 8.025 1.00 0.35 H +ATOM 354 H13 GLU A 23 -0.604 -2.390 7.751 1.00 0.22 H +ATOM 355 N LEU A 24 -3.737 -1.599 6.480 1.00 0.23 N +ATOM 356 CA LEU A 24 -5.066 -1.859 5.871 1.00 0.23 C +ATOM 357 C LEU A 24 -5.767 -2.996 6.618 1.00 0.22 C +ATOM 358 O LEU A 24 -6.953 -3.209 6.467 1.00 0.24 O +ATOM 359 CB LEU A 24 -4.848 -2.277 4.418 1.00 0.21 C +ATOM 360 CG LEU A 24 -4.150 -1.150 3.658 1.00 0.25 C +ATOM 361 CD1 LEU A 24 -3.120 -1.750 2.701 1.00 0.20 C +ATOM 362 CD2 LEU A 24 -5.184 -0.352 2.862 1.00 0.40 C +ATOM 363 H01 LEU A 24 -5.684 -0.963 5.927 1.00 0.23 H +ATOM 364 H02 LEU A 24 -5.812 -2.483 3.953 1.00 0.21 H +ATOM 365 H03 LEU A 24 -4.229 -3.174 4.387 1.00 0.21 H +ATOM 366 H04 LEU A 24 -3.650 -0.488 4.365 1.00 0.25 H +ATOM 367 H05 LEU A 24 -2.189 -1.931 3.238 1.00 0.20 H +ATOM 368 H06 LEU A 24 -2.905 -1.717 5.919 1.00 0.23 H +ATOM 369 H07 LEU A 24 -3.498 -2.691 2.303 1.00 0.20 H +ATOM 370 H08 LEU A 24 -2.937 -1.055 1.881 1.00 0.20 H +ATOM 371 H09 LEU A 24 -6.056 -0.161 3.488 1.00 0.40 H +ATOM 372 H10 LEU A 24 -4.748 0.597 2.548 1.00 0.40 H +ATOM 373 H11 LEU A 24 -5.486 -0.922 1.984 1.00 0.40 H +ATOM 374 N ALA A 25 -5.043 -3.736 7.416 1.00 0.21 N +ATOM 375 CA ALA A 25 -5.667 -4.860 8.158 1.00 0.22 C +ATOM 376 C ALA A 25 -6.369 -5.796 7.170 1.00 0.21 C +ATOM 377 O ALA A 25 -7.501 -6.191 7.366 1.00 0.23 O +ATOM 378 CB ALA A 25 -6.670 -4.292 9.152 1.00 0.26 C +ATOM 379 H01 ALA A 25 -4.906 -5.427 8.695 1.00 0.22 H +ATOM 380 H02 ALA A 25 -7.611 -4.836 9.069 1.00 0.26 H +ATOM 381 H03 ALA A 25 -6.279 -4.397 10.164 1.00 0.26 H +ATOM 382 H04 ALA A 25 -6.840 -3.237 8.935 1.00 0.26 H +ATOM 383 H12 ALA A 25 -4.058 -3.543 7.528 1.00 0.21 H +ATOM 384 N LEU A 26 -5.693 -6.152 6.112 1.00 0.21 N +ATOM 385 CA LEU A 26 -6.293 -7.062 5.095 1.00 0.24 C +ATOM 386 C LEU A 26 -6.438 -8.468 5.690 1.00 0.28 C +ATOM 387 O LEU A 26 -5.795 -8.792 6.669 1.00 0.30 O +ATOM 388 CB LEU A 26 -5.371 -7.117 3.872 1.00 0.23 C +ATOM 389 CG LEU A 26 -4.954 -5.697 3.483 1.00 0.21 C +ATOM 390 CD1 LEU A 26 -3.954 -5.751 2.337 1.00 0.26 C +ATOM 391 CD2 LEU A 26 -6.187 -4.909 3.043 1.00 0.23 C +ATOM 392 H01 LEU A 26 -7.275 -6.692 4.801 1.00 0.24 H +ATOM 393 H02 LEU A 26 -5.900 -7.581 3.039 1.00 0.23 H +ATOM 394 H03 LEU A 26 -4.484 -7.704 4.111 1.00 0.23 H +ATOM 395 H04 LEU A 26 -4.493 -5.208 4.341 1.00 0.21 H +ATOM 396 H05 LEU A 26 -4.753 -5.807 5.981 1.00 0.21 H +ATOM 397 H06 LEU A 26 -3.009 -6.156 2.699 1.00 0.26 H +ATOM 398 H07 LEU A 26 -4.343 -6.390 1.544 1.00 0.26 H +ATOM 399 H08 LEU A 26 -3.792 -4.746 1.947 1.00 0.26 H +ATOM 400 H09 LEU A 26 -6.988 -5.055 3.768 1.00 0.23 H +ATOM 401 H10 LEU A 26 -5.940 -3.849 2.984 1.00 0.23 H +ATOM 402 H11 LEU A 26 -6.514 -5.261 2.065 1.00 0.23 H +ATOM 403 N PRO A 27 -7.280 -9.262 5.077 1.00 0.34 N +ATOM 404 CA PRO A 27 -7.526 -10.643 5.529 1.00 0.41 C +ATOM 405 C PRO A 27 -6.221 -11.438 5.555 1.00 0.39 C +ATOM 406 O PRO A 27 -5.165 -10.932 5.233 1.00 0.31 O +ATOM 407 CB PRO A 27 -8.489 -11.230 4.490 1.00 0.48 C +ATOM 408 CG PRO A 27 -8.880 -10.091 3.514 1.00 0.48 C +ATOM 409 CD PRO A 27 -8.054 -8.852 3.890 1.00 0.38 C +ATOM 410 H01 PRO A 27 -9.375 -11.636 4.978 1.00 0.48 H +ATOM 411 H02 PRO A 27 -8.000 -12.037 3.944 1.00 0.48 H +ATOM 412 H03 PRO A 27 -9.946 -9.876 3.585 1.00 0.48 H +ATOM 413 H04 PRO A 27 -8.660 -10.388 2.488 1.00 0.48 H +ATOM 414 H05 PRO A 27 -7.412 -8.522 3.073 1.00 0.38 H +ATOM 415 H06 PRO A 27 -8.707 -8.012 4.127 1.00 0.38 H +ATOM 416 H12 PRO A 27 -7.936 -10.679 6.538 1.00 0.41 H +ATOM 417 N GLU A 28 -6.289 -12.685 5.931 1.00 0.50 N +ATOM 418 CA GLU A 28 -5.058 -13.519 5.972 1.00 0.53 C +ATOM 419 C GLU A 28 -4.729 -13.997 4.558 1.00 0.49 C +ATOM 420 O GLU A 28 -3.622 -14.407 4.273 1.00 0.51 O +ATOM 421 CB GLU A 28 -5.295 -14.732 6.871 1.00 0.67 C +ATOM 422 CG GLU A 28 -5.557 -14.268 8.305 1.00 1.14 C +ATOM 423 CD GLU A 28 -5.237 -15.405 9.276 1.00 1.65 C +ATOM 424 OE1 GLU A 28 -4.380 -16.210 8.953 1.00 2.31 O +ATOM 425 OE2 GLU A 28 -5.856 -15.452 10.327 1.00 2.20 O1- +ATOM 426 H01 GLU A 28 -4.230 -12.930 6.365 1.00 0.53 H +ATOM 427 H02 GLU A 28 -4.412 -15.371 6.854 1.00 0.67 H +ATOM 428 H03 GLU A 28 -6.157 -15.291 6.507 1.00 0.67 H +ATOM 429 H04 GLU A 28 -6.605 -13.986 8.409 1.00 1.14 H +ATOM 430 H05 GLU A 28 -4.926 -13.408 8.530 1.00 1.14 H +ATOM 431 H07 GLU A 28 -7.178 -13.085 6.195 1.00 0.50 H +ATOM 432 N TYR A 29 -5.686 -13.952 3.671 1.00 0.47 N +ATOM 433 CA TYR A 29 -5.426 -14.409 2.279 1.00 0.44 C +ATOM 434 C TYR A 29 -5.020 -13.218 1.409 1.00 0.37 C +ATOM 435 O TYR A 29 -4.999 -13.312 0.198 1.00 0.38 O +ATOM 436 CB TYR A 29 -6.686 -15.061 1.704 1.00 0.51 C +ATOM 437 CG TYR A 29 -7.900 -14.250 2.087 1.00 0.66 C +ATOM 438 CD1 TYR A 29 -8.300 -13.171 1.290 1.00 1.29 C +ATOM 439 CD2 TYR A 29 -8.627 -14.579 3.237 1.00 1.53 C +ATOM 440 CE1 TYR A 29 -9.428 -12.421 1.643 1.00 1.43 C +ATOM 441 CE2 TYR A 29 -9.756 -13.829 3.590 1.00 1.75 C +ATOM 442 CZ TYR A 29 -10.156 -12.750 2.793 1.00 1.24 C +ATOM 443 H01 TYR A 29 -4.616 -15.138 2.289 1.00 0.44 H +ATOM 444 H02 TYR A 29 -6.785 -16.069 2.106 1.00 0.51 H +ATOM 445 H03 TYR A 29 -6.608 -15.106 0.618 1.00 0.51 H +ATOM 446 H04 TYR A 29 -7.733 -12.915 0.395 1.00 1.29 H +ATOM 447 H05 TYR A 29 -8.315 -15.419 3.858 1.00 1.53 H +ATOM 448 H06 TYR A 29 -6.600 -13.608 3.929 1.00 0.47 H +ATOM 449 H07 TYR A 29 -9.740 -11.581 1.023 1.00 1.43 H +ATOM 450 H08 TYR A 29 -10.323 -14.085 4.485 1.00 1.75 H +ATOM 451 H09 TYR A 29 -11.034 -12.166 3.068 1.00 1.24 H +ATOM 452 N TYR A 30 -4.694 -12.103 2.017 1.00 0.32 N +ATOM 453 CA TYR A 30 -4.275 -10.903 1.222 1.00 0.28 C +ATOM 454 C TYR A 30 -3.419 -11.366 0.035 1.00 0.32 C +ATOM 455 O TYR A 30 -2.281 -11.759 0.193 1.00 0.38 O +ATOM 456 CB TYR A 30 -3.462 -9.958 2.121 1.00 0.29 C +ATOM 457 CG TYR A 30 -3.006 -8.741 1.339 1.00 0.20 C +ATOM 458 CD1 TYR A 30 -3.750 -8.286 0.243 1.00 0.47 C +ATOM 459 CD2 TYR A 30 -1.832 -8.068 1.715 1.00 0.48 C +ATOM 460 CE1 TYR A 30 -3.319 -7.163 -0.477 1.00 0.49 C +ATOM 461 CE2 TYR A 30 -1.400 -6.943 0.995 1.00 0.49 C +ATOM 462 CZ TYR A 30 -2.145 -6.493 -0.102 1.00 0.25 C +ATOM 463 H01 TYR A 30 -5.152 -10.373 0.850 1.00 0.28 H +ATOM 464 H02 TYR A 30 -2.584 -10.490 2.488 1.00 0.29 H +ATOM 465 H03 TYR A 30 -4.082 -9.636 2.957 1.00 0.29 H +ATOM 466 H04 TYR A 30 -4.663 -8.804 -0.050 1.00 0.47 H +ATOM 467 H05 TYR A 30 -1.254 -8.421 2.569 1.00 0.48 H +ATOM 468 H06 TYR A 30 -3.898 -6.810 -1.330 1.00 0.49 H +ATOM 469 H07 TYR A 30 -0.489 -6.422 1.289 1.00 0.49 H +ATOM 470 H08 TYR A 30 -1.812 -5.621 -0.665 1.00 0.25 H +ATOM 471 H10 TYR A 30 -4.725 -12.052 3.025 1.00 0.32 H +ATOM 472 N GLY A 31 -3.974 -11.339 -1.151 1.00 0.39 N +ATOM 473 CA GLY A 31 -3.215 -11.796 -2.357 1.00 0.51 C +ATOM 474 C GLY A 31 -2.004 -10.892 -2.611 1.00 0.58 C +ATOM 475 O GLY A 31 -1.214 -11.146 -3.495 1.00 1.36 O +ATOM 476 H01 GLY A 31 -3.874 -11.749 -3.224 1.00 0.51 H +ATOM 477 H02 GLY A 31 -2.872 -12.818 -2.198 1.00 0.51 H +ATOM 478 H09 GLY A 31 -4.922 -11.007 -1.253 1.00 0.39 H +ATOM 479 N GLU A 32 -1.870 -9.835 -1.853 1.00 0.56 N +ATOM 480 CA GLU A 32 -0.726 -8.877 -2.011 1.00 0.54 C +ATOM 481 C GLU A 32 -0.533 -8.420 -3.470 1.00 0.54 C +ATOM 482 O GLU A 32 0.377 -7.671 -3.760 1.00 0.59 O +ATOM 483 CB GLU A 32 0.582 -9.491 -1.474 1.00 0.66 C +ATOM 484 CG GLU A 32 0.741 -10.947 -1.915 1.00 1.51 C +ATOM 485 CD GLU A 32 2.052 -11.506 -1.358 1.00 1.87 C +ATOM 486 OE1 GLU A 32 3.044 -10.799 -1.410 1.00 2.36 O +ATOM 487 OE2 GLU A 32 2.040 -12.632 -0.890 1.00 2.37 O1- +ATOM 488 H01 GLU A 32 -0.978 -7.994 -1.423 1.00 0.54 H +ATOM 489 H02 GLU A 32 0.549 -9.466 -0.385 1.00 0.66 H +ATOM 490 H03 GLU A 32 -2.560 -9.657 -1.137 1.00 0.56 H +ATOM 491 H04 GLU A 32 1.426 -8.912 -1.850 1.00 0.66 H +ATOM 492 H05 GLU A 32 0.757 -10.998 -3.004 1.00 1.51 H +ATOM 493 H06 GLU A 32 -0.095 -11.535 -1.538 1.00 1.51 H +ATOM 494 N ASN A 33 -1.373 -8.817 -4.389 1.00 0.51 N +ATOM 495 CA ASN A 33 -1.203 -8.335 -5.792 1.00 0.53 C +ATOM 496 C ASN A 33 -1.891 -6.977 -5.927 1.00 0.50 C +ATOM 497 O ASN A 33 -2.423 -6.444 -4.974 1.00 0.56 O +ATOM 498 CB ASN A 33 -1.811 -9.321 -6.806 1.00 0.54 C +ATOM 499 CG ASN A 33 -2.420 -10.533 -6.096 1.00 0.62 C +ATOM 500 ND2 ASN A 33 -3.703 -10.559 -5.864 1.00 0.82 N +ATOM 501 OD1 ASN A 33 -1.721 -11.465 -5.752 1.00 1.57 O +ATOM 502 H01 ASN A 33 -0.137 -8.252 -6.006 1.00 0.53 H +ATOM 503 H02 ASN A 33 -1.019 -9.669 -7.469 1.00 0.54 H +ATOM 504 H03 ASN A 33 -2.589 -8.813 -7.376 1.00 0.54 H +ATOM 505 H04 ASN A 33 -4.116 -11.354 -5.397 1.00 0.82 H +ATOM 506 H05 ASN A 33 -4.284 -9.784 -6.151 1.00 0.82 H +ATOM 507 H07 ASN A 33 -2.129 -9.443 -4.153 1.00 0.51 H +ATOM 508 N LEU A 34 -1.918 -6.429 -7.107 1.00 0.48 N +ATOM 509 CA LEU A 34 -2.609 -5.125 -7.305 1.00 0.47 C +ATOM 510 C LEU A 34 -4.108 -5.392 -7.331 1.00 0.40 C +ATOM 511 O LEU A 34 -4.911 -4.621 -6.852 1.00 0.37 O +ATOM 512 CB LEU A 34 -2.204 -4.539 -8.650 1.00 0.55 C +ATOM 513 CG LEU A 34 -0.749 -4.072 -8.606 1.00 0.64 C +ATOM 514 CD1 LEU A 34 -0.358 -3.503 -9.971 1.00 0.82 C +ATOM 515 CD2 LEU A 34 -0.590 -2.986 -7.539 1.00 0.61 C +ATOM 516 H01 LEU A 34 -2.345 -4.432 -6.506 1.00 0.47 H +ATOM 517 H02 LEU A 34 -2.844 -3.686 -8.873 1.00 0.55 H +ATOM 518 H03 LEU A 34 -2.316 -5.299 -9.423 1.00 0.55 H +ATOM 519 H04 LEU A 34 -0.104 -4.916 -8.362 1.00 0.64 H +ATOM 520 H05 LEU A 34 0.673 -3.775 -10.196 1.00 0.82 H +ATOM 521 H06 LEU A 34 -1.471 -6.888 -7.888 1.00 0.48 H +ATOM 522 H07 LEU A 34 -1.016 -3.912 -10.738 1.00 0.82 H +ATOM 523 H08 LEU A 34 -0.451 -2.417 -9.953 1.00 0.82 H +ATOM 524 H09 LEU A 34 0.114 -2.232 -7.891 1.00 0.61 H +ATOM 525 H10 LEU A 34 -1.556 -2.519 -7.348 1.00 0.61 H +ATOM 526 H11 LEU A 34 -0.213 -3.432 -6.619 1.00 0.61 H +ATOM 527 N ASP A 35 -4.469 -6.494 -7.911 1.00 0.39 N +ATOM 528 CA ASP A 35 -5.897 -6.886 -8.018 1.00 0.36 C +ATOM 529 C ASP A 35 -6.467 -7.173 -6.632 1.00 0.30 C +ATOM 530 O ASP A 35 -7.614 -6.894 -6.351 1.00 0.28 O +ATOM 531 CB ASP A 35 -5.975 -8.167 -8.833 1.00 0.38 C +ATOM 532 CG ASP A 35 -5.683 -7.865 -10.303 1.00 0.43 C +ATOM 533 OD1 ASP A 35 -6.344 -7.000 -10.853 1.00 1.24 O +ATOM 534 OD2 ASP A 35 -4.803 -8.506 -10.856 1.00 1.06 O1- +ATOM 535 H01 ASP A 35 -6.462 -6.079 -8.485 1.00 0.36 H +ATOM 536 H02 ASP A 35 -6.976 -8.589 -8.745 1.00 0.38 H +ATOM 537 H03 ASP A 35 -5.242 -8.881 -8.457 1.00 0.38 H +ATOM 538 H12 ASP A 35 -3.761 -7.101 -8.300 1.00 0.39 H +ATOM 539 N ALA A 36 -5.676 -7.742 -5.769 1.00 0.29 N +ATOM 540 CA ALA A 36 -6.180 -8.058 -4.401 1.00 0.25 C +ATOM 541 C ALA A 36 -6.124 -6.799 -3.563 1.00 0.22 C +ATOM 542 O ALA A 36 -7.111 -6.353 -3.016 1.00 0.22 O +ATOM 543 CB ALA A 36 -5.310 -9.125 -3.749 1.00 0.29 C +ATOM 544 H01 ALA A 36 -7.203 -8.429 -4.471 1.00 0.25 H +ATOM 545 H02 ALA A 36 -4.395 -8.667 -3.373 1.00 0.29 H +ATOM 546 H03 ALA A 36 -5.853 -9.582 -2.922 1.00 0.29 H +ATOM 547 H04 ALA A 36 -4.725 -7.969 -6.024 1.00 0.29 H +ATOM 548 H05 ALA A 36 -5.058 -9.888 -4.485 1.00 0.29 H +ATOM 549 N LEU A 37 -4.967 -6.217 -3.477 1.00 0.21 N +ATOM 550 CA LEU A 37 -4.820 -4.966 -2.697 1.00 0.19 C +ATOM 551 C LEU A 37 -5.987 -4.058 -3.064 1.00 0.16 C +ATOM 552 O LEU A 37 -6.706 -3.539 -2.224 1.00 0.16 O +ATOM 553 CB LEU A 37 -3.502 -4.299 -3.095 1.00 0.21 C +ATOM 554 CG LEU A 37 -3.539 -2.815 -2.724 1.00 0.20 C +ATOM 555 CD1 LEU A 37 -3.557 -2.667 -1.201 1.00 0.22 C +ATOM 556 CD2 LEU A 37 -2.302 -2.115 -3.290 1.00 0.24 C +ATOM 557 H01 LEU A 37 -4.816 -5.162 -1.625 1.00 0.19 H +ATOM 558 H02 LEU A 37 -3.360 -4.397 -4.171 1.00 0.21 H +ATOM 559 H03 LEU A 37 -2.678 -4.783 -2.571 1.00 0.21 H +ATOM 560 H04 LEU A 37 -4.437 -2.360 -3.143 1.00 0.20 H +ATOM 561 H05 LEU A 37 -4.265 -1.887 -0.921 1.00 0.22 H +ATOM 562 H06 LEU A 37 -4.165 -6.618 -3.943 1.00 0.21 H +ATOM 563 H07 LEU A 37 -3.859 -3.611 -0.747 1.00 0.22 H +ATOM 564 H08 LEU A 37 -2.561 -2.397 -0.850 1.00 0.22 H +ATOM 565 H09 LEU A 37 -1.465 -2.813 -3.303 1.00 0.24 H +ATOM 566 H10 LEU A 37 -2.508 -1.776 -4.305 1.00 0.24 H +ATOM 567 H11 LEU A 37 -2.050 -1.258 -2.665 1.00 0.24 H +ATOM 568 N TRP A 38 -6.173 -3.884 -4.333 1.00 0.17 N +ATOM 569 CA TRP A 38 -7.277 -3.046 -4.821 1.00 0.16 C +ATOM 570 C TRP A 38 -8.577 -3.613 -4.303 1.00 0.16 C +ATOM 571 O TRP A 38 -9.345 -2.951 -3.643 1.00 0.16 O +ATOM 572 CB TRP A 38 -7.315 -3.093 -6.341 1.00 0.18 C +ATOM 573 CG TRP A 38 -8.456 -2.267 -6.801 1.00 0.18 C +ATOM 574 CD1 TRP A 38 -9.708 -2.718 -6.963 1.00 0.21 C +ATOM 575 CD2 TRP A 38 -8.476 -0.860 -7.128 1.00 0.18 C +ATOM 576 CE2 TRP A 38 -9.785 -0.502 -7.508 1.00 0.20 C +ATOM 577 CE3 TRP A 38 -7.487 0.125 -7.138 1.00 0.17 C +ATOM 578 NE1 TRP A 38 -10.508 -1.672 -7.389 1.00 0.23 N +ATOM 579 CZ2 TRP A 38 -10.099 0.802 -7.885 1.00 0.22 C +ATOM 580 CZ3 TRP A 38 -7.785 1.430 -7.507 1.00 0.19 C +ATOM 581 H01 TRP A 38 -7.136 -2.020 -4.481 1.00 0.16 H +ATOM 582 H02 TRP A 38 -7.433 -4.121 -6.683 1.00 0.18 H +ATOM 583 H03 TRP A 38 -6.384 -2.696 -6.747 1.00 0.18 H +ATOM 584 H04 TRP A 38 -10.041 -3.741 -6.788 1.00 0.21 H +ATOM 585 H05 TRP A 38 -6.467 -0.134 -6.852 1.00 0.17 H +ATOM 586 H06 TRP A 38 -11.495 -1.754 -7.587 1.00 0.23 H +ATOM 587 H07 TRP A 38 -11.013 1.115 -7.381 1.00 0.22 H +ATOM 588 H08 TRP A 38 -9.283 1.468 -7.604 1.00 0.22 H +ATOM 589 H09 TRP A 38 -10.247 0.843 -8.964 1.00 0.22 H +ATOM 590 H10 TRP A 38 -7.002 2.188 -7.510 1.00 0.19 H +ATOM 591 H11 TRP A 38 -8.802 1.696 -7.794 1.00 0.19 H +ATOM 592 H12 TRP A 38 -5.553 -4.329 -4.995 1.00 0.17 H +ATOM 593 N ASP A 39 -8.815 -4.850 -4.599 1.00 0.17 N +ATOM 594 CA ASP A 39 -10.061 -5.500 -4.130 1.00 0.18 C +ATOM 595 C ASP A 39 -10.283 -5.117 -2.672 1.00 0.18 C +ATOM 596 O ASP A 39 -11.394 -5.091 -2.182 1.00 0.21 O +ATOM 597 CB ASP A 39 -9.927 -7.017 -4.254 1.00 0.21 C +ATOM 598 CG ASP A 39 -10.613 -7.488 -5.537 1.00 0.29 C +ATOM 599 OD1 ASP A 39 -10.045 -7.286 -6.598 1.00 1.13 O +ATOM 600 OD2 ASP A 39 -11.695 -8.044 -5.438 1.00 1.06 O1- +ATOM 601 H01 ASP A 39 -10.907 -5.173 -4.734 1.00 0.18 H +ATOM 602 H02 ASP A 39 -10.399 -7.494 -3.395 1.00 0.21 H +ATOM 603 H03 ASP A 39 -8.872 -7.288 -4.285 1.00 0.21 H +ATOM 604 H12 ASP A 39 -8.150 -5.373 -5.151 1.00 0.17 H +ATOM 605 N CYS A 40 -9.222 -4.807 -1.977 1.00 0.17 N +ATOM 606 CA CYS A 40 -9.354 -4.412 -0.556 1.00 0.19 C +ATOM 607 C CYS A 40 -9.797 -2.948 -0.466 1.00 0.19 C +ATOM 608 O CYS A 40 -10.745 -2.623 0.218 1.00 0.23 O +ATOM 609 CB CYS A 40 -8.001 -4.580 0.132 1.00 0.21 C +ATOM 610 SG CYS A 40 -7.334 -6.221 -0.239 1.00 0.58 S +ATOM 611 H01 CYS A 40 -10.099 -5.040 -0.067 1.00 0.19 H +ATOM 612 H02 CYS A 40 -8.126 -4.475 1.210 1.00 0.21 H +ATOM 613 H03 CYS A 40 -7.312 -3.817 -0.229 1.00 0.21 H +ATOM 614 H04 CYS A 40 -8.310 -4.837 -2.409 1.00 0.17 H +ATOM 615 H05 CYS A 40 -7.205 -6.362 -1.565 1.00 0.58 H +ATOM 616 N LEU A 41 -9.117 -2.057 -1.142 1.00 0.17 N +ATOM 617 CA LEU A 41 -9.497 -0.625 -1.076 1.00 0.18 C +ATOM 618 C LEU A 41 -10.943 -0.424 -1.548 1.00 0.21 C +ATOM 619 O LEU A 41 -11.729 0.247 -0.908 1.00 0.45 O +ATOM 620 CB LEU A 41 -8.562 0.173 -1.981 1.00 0.17 C +ATOM 621 CG LEU A 41 -7.117 -0.285 -1.776 1.00 0.19 C +ATOM 622 CD1 LEU A 41 -6.189 0.625 -2.567 1.00 0.18 C +ATOM 623 CD2 LEU A 41 -6.760 -0.219 -0.289 1.00 0.31 C +ATOM 624 H01 LEU A 41 -9.417 -0.284 -0.044 1.00 0.18 H +ATOM 625 H02 LEU A 41 -11.272 -0.892 -2.476 1.00 0.21 H +ATOM 626 H03 LEU A 41 -8.640 1.231 -1.731 1.00 0.17 H +ATOM 627 H04 LEU A 41 -8.846 0.017 -3.022 1.00 0.17 H +ATOM 628 H05 LEU A 41 -7.006 -1.312 -2.123 1.00 0.19 H +ATOM 629 H06 LEU A 41 -8.333 -2.345 -1.709 1.00 0.17 H +ATOM 630 H07 LEU A 41 -5.235 0.122 -2.724 1.00 0.18 H +ATOM 631 H08 LEU A 41 -6.641 0.856 -3.532 1.00 0.18 H +ATOM 632 H09 LEU A 41 -6.025 1.549 -2.012 1.00 0.18 H +ATOM 633 H10 LEU A 41 -5.937 0.481 -0.144 1.00 0.31 H +ATOM 634 H11 LEU A 41 -7.627 0.118 0.279 1.00 0.31 H +ATOM 635 H12 LEU A 41 -6.460 -1.208 0.057 1.00 0.31 H +ATOM 636 N GLY A 43 -13.262 -2.363 -1.452 1.00 0.27 N +ATOM 637 CA GLY A 43 -14.258 -3.210 -0.729 1.00 0.31 C +ATOM 638 C GLY A 43 -13.627 -3.900 0.484 1.00 0.27 C +ATOM 639 O GLY A 43 -13.610 -5.112 0.574 1.00 0.32 O +ATOM 640 H01 GLY A 43 -13.086 -1.522 -0.921 1.00 0.27 H +ATOM 641 H02 GLY A 43 -14.616 -3.979 -1.414 1.00 0.31 H +ATOM 642 H03 GLY A 43 -15.082 -2.581 -0.392 1.00 0.31 H +ATOM 643 H13 GLY A 43 -13.625 -2.118 -2.362 1.00 0.27 H +ATOM 644 N TRP A 44 -13.125 -3.148 1.425 1.00 0.25 N +ATOM 645 CA TRP A 44 -12.519 -3.775 2.630 1.00 0.23 C +ATOM 646 C TRP A 44 -11.944 -2.689 3.540 1.00 0.23 C +ATOM 647 O TRP A 44 -12.415 -2.466 4.637 1.00 0.27 O +ATOM 648 CB TRP A 44 -11.402 -4.721 2.201 1.00 0.24 C +ATOM 649 CG TRP A 44 -10.808 -5.362 3.411 1.00 0.26 C +ATOM 650 CD1 TRP A 44 -9.735 -4.894 4.085 1.00 0.27 C +ATOM 651 CD2 TRP A 44 -11.233 -6.571 4.106 1.00 0.30 C +ATOM 652 CE2 TRP A 44 -10.366 -6.788 5.202 1.00 0.34 C +ATOM 653 CE3 TRP A 44 -12.274 -7.493 3.891 1.00 0.35 C +ATOM 654 NE1 TRP A 44 -9.470 -5.739 5.146 1.00 0.31 N +ATOM 655 CZ2 TRP A 44 -10.527 -7.879 6.058 1.00 0.41 C +ATOM 656 CZ3 TRP A 44 -12.439 -8.592 4.750 1.00 0.43 C +ATOM 657 H01 TRP A 44 -13.283 -4.333 3.171 1.00 0.23 H +ATOM 658 H02 TRP A 44 -10.633 -4.161 1.669 1.00 0.24 H +ATOM 659 H03 TRP A 44 -11.807 -5.489 1.543 1.00 0.24 H +ATOM 660 H04 TRP A 44 -13.148 -2.142 1.335 1.00 0.25 H +ATOM 661 H05 TRP A 44 -9.170 -3.996 3.833 1.00 0.27 H +ATOM 662 H06 TRP A 44 -12.957 -7.354 3.053 1.00 0.35 H +ATOM 663 H07 TRP A 44 -8.713 -5.605 5.801 1.00 0.31 H +ATOM 664 H08 TRP A 44 -11.553 -8.241 5.995 1.00 0.41 H +ATOM 665 H09 TRP A 44 -9.842 -8.675 5.766 1.00 0.41 H +ATOM 666 H10 TRP A 44 -10.313 -7.573 7.082 1.00 0.41 H +ATOM 667 H11 TRP A 44 -13.248 -9.302 4.577 1.00 0.43 H +ATOM 668 H12 TRP A 44 -11.758 -8.735 5.589 1.00 0.43 H +ATOM 669 N VAL A 45 -10.925 -2.016 3.089 1.00 0.25 N +ATOM 670 CA VAL A 45 -10.304 -0.949 3.912 1.00 0.26 C +ATOM 671 C VAL A 45 -11.350 0.112 4.253 1.00 0.25 C +ATOM 672 O VAL A 45 -12.264 0.362 3.493 1.00 0.37 O +ATOM 673 CB VAL A 45 -9.165 -0.300 3.125 1.00 0.30 C +ATOM 674 CG1 VAL A 45 -8.436 0.706 4.017 1.00 0.42 C +ATOM 675 CG2 VAL A 45 -8.181 -1.377 2.661 1.00 0.28 C +ATOM 676 H01 VAL A 45 -9.915 -1.384 4.833 1.00 0.26 H +ATOM 677 H02 VAL A 45 -9.575 0.214 2.256 1.00 0.30 H +ATOM 678 H03 VAL A 45 -7.520 1.031 3.524 1.00 0.42 H +ATOM 679 H04 VAL A 45 -9.079 1.568 4.194 1.00 0.42 H +ATOM 680 H05 VAL A 45 -8.188 0.236 4.969 1.00 0.42 H +ATOM 681 H06 VAL A 45 -7.251 -1.285 3.222 1.00 0.28 H +ATOM 682 H07 VAL A 45 -8.613 -2.363 2.833 1.00 0.28 H +ATOM 683 H08 VAL A 45 -7.977 -1.250 1.598 1.00 0.28 H +ATOM 684 H13 VAL A 45 -10.554 -2.222 2.172 1.00 0.25 H +ATOM 685 N GLU A 46 -11.215 0.751 5.382 1.00 0.21 N +ATOM 686 CA GLU A 46 -12.197 1.808 5.755 1.00 0.23 C +ATOM 687 C GLU A 46 -11.566 3.177 5.505 1.00 0.22 C +ATOM 688 O GLU A 46 -10.440 3.435 5.880 1.00 0.22 O +ATOM 689 CB GLU A 46 -12.600 1.688 7.231 1.00 0.30 C +ATOM 690 CG GLU A 46 -11.576 0.848 7.993 1.00 1.31 C +ATOM 691 CD GLU A 46 -12.107 0.545 9.395 1.00 1.80 C +ATOM 692 OE1 GLU A 46 -13.089 -0.173 9.493 1.00 2.43 O +ATOM 693 OE2 GLU A 46 -11.524 1.036 10.347 1.00 2.28 O1- +ATOM 694 H01 GLU A 46 -13.094 1.688 5.148 1.00 0.23 H +ATOM 695 H02 GLU A 46 -13.574 1.203 7.294 1.00 0.30 H +ATOM 696 H03 GLU A 46 -12.650 2.683 7.673 1.00 0.30 H +ATOM 697 H04 GLU A 46 -10.639 1.400 8.071 1.00 1.31 H +ATOM 698 H05 GLU A 46 -11.402 -0.087 7.460 1.00 1.31 H +ATOM 699 H09 GLU A 46 -10.448 0.530 6.001 1.00 0.21 H +ATOM 700 N TYR A 47 -12.285 4.047 4.861 1.00 0.22 N +ATOM 701 CA TYR A 47 -11.744 5.402 4.559 1.00 0.22 C +ATOM 702 C TYR A 47 -12.564 6.446 5.329 1.00 0.26 C +ATOM 703 O TYR A 47 -13.586 6.110 5.892 1.00 0.29 O +ATOM 704 CB TYR A 47 -11.851 5.623 3.045 1.00 0.24 C +ATOM 705 CG TYR A 47 -10.868 4.720 2.323 1.00 0.24 C +ATOM 706 CD1 TYR A 47 -9.830 4.081 3.021 1.00 1.25 C +ATOM 707 CD2 TYR A 47 -10.994 4.520 0.945 1.00 1.21 C +ATOM 708 CE1 TYR A 47 -8.935 3.251 2.342 1.00 1.27 C +ATOM 709 CE2 TYR A 47 -10.094 3.692 0.272 1.00 1.20 C +ATOM 710 CZ TYR A 47 -9.067 3.058 0.970 1.00 0.29 C +ATOM 711 H01 TYR A 47 -10.701 5.494 4.864 1.00 0.22 H +ATOM 712 H02 TYR A 47 -11.619 6.663 2.816 1.00 0.24 H +ATOM 713 H03 TYR A 47 -12.864 5.393 2.716 1.00 0.24 H +ATOM 714 H04 TYR A 47 -9.723 4.233 4.095 1.00 1.25 H +ATOM 715 H05 TYR A 47 -11.797 5.012 0.395 1.00 1.21 H +ATOM 716 H06 TYR A 47 -13.218 3.803 4.563 1.00 0.22 H +ATOM 717 H07 TYR A 47 -8.133 2.754 2.887 1.00 1.27 H +ATOM 718 H08 TYR A 47 -10.194 3.541 -0.803 1.00 1.20 H +ATOM 719 H09 TYR A 47 -8.367 2.411 0.441 1.00 0.29 H +ATOM 720 N PRO A 48 -12.102 7.682 5.359 1.00 0.27 N +ATOM 721 CA PRO A 48 -10.858 8.134 4.685 1.00 0.25 C +ATOM 722 C PRO A 48 -9.620 7.409 5.219 1.00 0.22 C +ATOM 723 O PRO A 48 -9.455 7.234 6.406 1.00 0.30 O +ATOM 724 CB PRO A 48 -10.761 9.631 5.010 1.00 0.28 C +ATOM 725 CG PRO A 48 -11.970 10.004 5.902 1.00 0.33 C +ATOM 726 CD PRO A 48 -12.815 8.738 6.097 1.00 0.32 C +ATOM 727 H01 PRO A 48 -10.771 10.220 4.093 1.00 0.28 H +ATOM 728 H02 PRO A 48 -9.831 9.836 5.541 1.00 0.28 H +ATOM 729 H03 PRO A 48 -12.562 10.789 5.432 1.00 0.33 H +ATOM 730 H04 PRO A 48 -11.621 10.370 6.867 1.00 0.33 H +ATOM 731 H05 PRO A 48 -12.937 8.488 7.151 1.00 0.32 H +ATOM 732 H06 PRO A 48 -13.817 8.880 5.691 1.00 0.32 H +ATOM 733 H10 PRO A 48 -10.894 7.926 3.616 1.00 0.25 H +ATOM 734 N LEU A 49 -8.744 7.000 4.338 1.00 0.20 N +ATOM 735 CA LEU A 49 -7.502 6.298 4.775 1.00 0.19 C +ATOM 736 C LEU A 49 -6.301 7.182 4.462 1.00 0.19 C +ATOM 737 O LEU A 49 -6.335 7.998 3.567 1.00 0.20 O +ATOM 738 CB LEU A 49 -7.362 4.977 3.994 1.00 0.18 C +ATOM 739 CG LEU A 49 -5.885 4.560 3.861 1.00 0.17 C +ATOM 740 CD1 LEU A 49 -5.350 4.066 5.209 1.00 0.20 C +ATOM 741 CD2 LEU A 49 -5.759 3.447 2.816 1.00 0.16 C +ATOM 742 H01 LEU A 49 -7.552 6.092 5.844 1.00 0.19 H +ATOM 743 H02 LEU A 49 -7.769 5.124 2.994 1.00 0.18 H +ATOM 744 H03 LEU A 49 -7.907 4.193 4.520 1.00 0.18 H +ATOM 745 H04 LEU A 49 -5.300 5.424 3.546 1.00 0.17 H +ATOM 746 H05 LEU A 49 -4.464 4.640 5.480 1.00 0.20 H +ATOM 747 H06 LEU A 49 -6.115 4.197 5.974 1.00 0.20 H +ATOM 748 H07 LEU A 49 -8.909 7.161 3.355 1.00 0.20 H +ATOM 749 H08 LEU A 49 -5.089 3.011 5.132 1.00 0.20 H +ATOM 750 H09 LEU A 49 -4.715 3.146 2.730 1.00 0.16 H +ATOM 751 H10 LEU A 49 -6.359 2.590 3.123 1.00 0.16 H +ATOM 752 H11 LEU A 49 -6.112 3.812 1.851 1.00 0.16 H +ATOM 753 N VAL A 50 -5.222 6.985 5.157 1.00 0.21 N +ATOM 754 CA VAL A 50 -4.003 7.770 4.857 1.00 0.22 C +ATOM 755 C VAL A 50 -2.919 6.786 4.408 1.00 0.20 C +ATOM 756 O VAL A 50 -2.748 5.736 4.987 1.00 0.21 O +ATOM 757 CB VAL A 50 -3.555 8.555 6.114 1.00 0.26 C +ATOM 758 CG1 VAL A 50 -2.135 8.158 6.542 1.00 0.26 C +ATOM 759 CG2 VAL A 50 -3.567 10.051 5.802 1.00 0.29 C +ATOM 760 H01 VAL A 50 -4.193 8.498 4.068 1.00 0.22 H +ATOM 761 H02 VAL A 50 -4.245 8.321 6.925 1.00 0.26 H +ATOM 762 H03 VAL A 50 -1.481 9.028 6.480 1.00 0.26 H +ATOM 763 H04 VAL A 50 -2.154 7.790 7.568 1.00 0.26 H +ATOM 764 H05 VAL A 50 -1.761 7.376 5.882 1.00 0.26 H +ATOM 765 H06 VAL A 50 -3.681 10.614 6.728 1.00 0.29 H +ATOM 766 H07 VAL A 50 -2.629 10.330 5.321 1.00 0.29 H +ATOM 767 H08 VAL A 50 -4.399 10.277 5.135 1.00 0.29 H +ATOM 768 H12 VAL A 50 -5.214 6.300 5.899 1.00 0.21 H +ATOM 769 N LEU A 51 -2.167 7.122 3.409 1.00 0.19 N +ATOM 770 CA LEU A 51 -1.081 6.210 2.976 1.00 0.18 C +ATOM 771 C LEU A 51 0.228 6.969 3.109 1.00 0.18 C +ATOM 772 O LEU A 51 0.745 7.517 2.155 1.00 0.20 O +ATOM 773 CB LEU A 51 -1.267 5.748 1.523 1.00 0.17 C +ATOM 774 CG LEU A 51 -0.106 4.823 1.149 1.00 0.19 C +ATOM 775 CD1 LEU A 51 -0.195 3.543 1.973 1.00 0.21 C +ATOM 776 CD2 LEU A 51 -0.185 4.451 -0.328 1.00 0.18 C +ATOM 777 H01 LEU A 51 -1.090 5.315 3.599 1.00 0.18 H +ATOM 778 H02 LEU A 51 -1.282 6.612 0.858 1.00 0.17 H +ATOM 779 H03 LEU A 51 -2.211 5.211 1.426 1.00 0.17 H +ATOM 780 H04 LEU A 51 0.832 5.341 1.348 1.00 0.19 H +ATOM 781 H05 LEU A 51 -1.237 3.231 2.047 1.00 0.21 H +ATOM 782 H06 LEU A 51 0.385 2.757 1.489 1.00 0.21 H +ATOM 783 H07 LEU A 51 0.201 3.725 2.972 1.00 0.21 H +ATOM 784 H08 LEU A 51 -0.508 5.318 -0.904 1.00 0.18 H +ATOM 785 H09 LEU A 51 -2.319 7.998 2.929 1.00 0.19 H +ATOM 786 H10 LEU A 51 0.797 4.130 -0.676 1.00 0.18 H +ATOM 787 H11 LEU A 51 -0.901 3.640 -0.461 1.00 0.18 H +ATOM 788 N GLU A 52 0.760 7.014 4.296 1.00 0.19 N +ATOM 789 CA GLU A 52 2.031 7.743 4.505 1.00 0.21 C +ATOM 790 C GLU A 52 3.158 6.861 3.988 1.00 0.19 C +ATOM 791 O GLU A 52 3.789 6.122 4.721 1.00 0.19 O +ATOM 792 CB GLU A 52 2.213 8.030 5.996 1.00 0.24 C +ATOM 793 CG GLU A 52 3.642 8.508 6.256 1.00 0.30 C +ATOM 794 CD GLU A 52 3.650 9.471 7.444 1.00 0.64 C +ATOM 795 OE1 GLU A 52 2.717 9.420 8.229 1.00 1.28 O +ATOM 796 OE2 GLU A 52 4.588 10.244 7.550 1.00 1.44 O1- +ATOM 797 H01 GLU A 52 2.030 8.695 3.974 1.00 0.21 H +ATOM 798 H02 GLU A 52 2.027 7.119 6.565 1.00 0.24 H +ATOM 799 H03 GLU A 52 1.509 8.803 6.306 1.00 0.24 H +ATOM 800 H04 GLU A 52 4.020 9.020 5.371 1.00 0.30 H +ATOM 801 H05 GLU A 52 4.278 7.651 6.478 1.00 0.30 H +ATOM 802 H12 GLU A 52 0.307 6.553 5.072 1.00 0.19 H +ATOM 803 N TRP A 53 3.385 6.915 2.708 1.00 0.20 N +ATOM 804 CA TRP A 53 4.436 6.072 2.099 1.00 0.20 C +ATOM 805 C TRP A 53 5.813 6.694 2.321 1.00 0.24 C +ATOM 806 O TRP A 53 6.142 7.720 1.760 1.00 0.38 O +ATOM 807 CB TRP A 53 4.175 5.945 0.603 1.00 0.24 C +ATOM 808 CG TRP A 53 4.807 4.689 0.123 1.00 0.23 C +ATOM 809 CD1 TRP A 53 6.084 4.326 0.376 1.00 0.25 C +ATOM 810 CD2 TRP A 53 4.223 3.620 -0.671 1.00 0.21 C +ATOM 811 CE2 TRP A 53 5.210 2.627 -0.872 1.00 0.24 C +ATOM 812 CE3 TRP A 53 2.948 3.416 -1.234 1.00 0.21 C +ATOM 813 NE1 TRP A 53 6.325 3.103 -0.214 1.00 0.26 N +ATOM 814 CZ2 TRP A 53 4.946 1.474 -1.601 1.00 0.25 C +ATOM 815 CZ3 TRP A 53 2.684 2.251 -1.974 1.00 0.23 C +ATOM 816 H01 TRP A 53 4.414 5.088 2.566 1.00 0.20 H +ATOM 817 H02 TRP A 53 4.595 6.801 0.075 1.00 0.24 H +ATOM 818 H03 TRP A 53 3.101 5.912 0.417 1.00 0.24 H +ATOM 819 H04 TRP A 53 6.806 4.905 0.952 1.00 0.25 H +ATOM 820 H05 TRP A 53 2.166 4.162 -1.096 1.00 0.21 H +ATOM 821 H06 TRP A 53 2.840 7.536 2.127 1.00 0.20 H +ATOM 822 H07 TRP A 53 7.209 2.616 -0.170 1.00 0.26 H +ATOM 823 H08 TRP A 53 4.079 1.640 -2.241 1.00 0.25 H +ATOM 824 H09 TRP A 53 5.810 1.227 -2.217 1.00 0.25 H +ATOM 825 H10 TRP A 53 4.740 0.650 -0.917 1.00 0.25 H +ATOM 826 H11 TRP A 53 1.697 2.094 -2.409 1.00 0.23 H +ATOM 827 H12 TRP A 53 3.466 1.504 -2.113 1.00 0.23 H +ATOM 828 N ARG A 54 6.627 6.069 3.124 1.00 0.26 N +ATOM 829 CA ARG A 54 7.992 6.607 3.371 1.00 0.35 C +ATOM 830 C ARG A 54 8.988 5.823 2.515 1.00 0.49 C +ATOM 831 O ARG A 54 8.781 4.663 2.219 1.00 1.33 O +ATOM 832 CB ARG A 54 8.346 6.446 4.849 1.00 0.44 C +ATOM 833 CG ARG A 54 8.545 7.825 5.481 1.00 0.88 C +ATOM 834 CD ARG A 54 8.772 7.667 6.985 1.00 1.09 C +ATOM 835 NE ARG A 54 10.009 8.396 7.382 1.00 1.40 N +ATOM 836 CZ ARG A 54 10.254 8.632 8.637 1.00 1.87 C +ATOM 837 H01 ARG A 54 8.029 7.665 3.110 1.00 0.35 H +ATOM 838 H02 ARG A 54 9.267 5.869 4.940 1.00 0.44 H +ATOM 839 H03 ARG A 54 7.538 5.924 5.362 1.00 0.44 H +ATOM 840 H04 ARG A 54 7.658 8.435 5.309 1.00 0.88 H +ATOM 841 H05 ARG A 54 9.411 8.310 5.031 1.00 0.88 H +ATOM 842 H06 ARG A 54 8.882 6.610 7.226 1.00 1.09 H +ATOM 843 H07 ARG A 54 7.919 8.076 7.526 1.00 1.09 H +ATOM 844 H08 ARG A 54 10.789 7.860 7.029 1.00 1.40 H +ATOM 845 H09 ARG A 54 11.037 9.386 8.718 1.00 1.87 H +ATOM 846 H10 ARG A 54 9.348 8.995 9.123 1.00 1.87 H +ATOM 847 H11 ARG A 54 10.584 7.713 9.122 1.00 1.87 H +ATOM 848 H13 ARG A 54 6.331 5.218 3.580 1.00 0.26 H +ATOM 849 N GLN A 55 10.062 6.439 2.107 1.00 0.53 N +ATOM 850 CA GLN A 55 11.050 5.709 1.264 1.00 0.46 C +ATOM 851 C GLN A 55 10.308 5.032 0.111 1.00 0.53 C +ATOM 852 O GLN A 55 10.193 3.826 0.056 1.00 1.30 O +ATOM 853 CB GLN A 55 11.759 4.650 2.111 1.00 0.55 C +ATOM 854 CG GLN A 55 13.251 4.974 2.186 1.00 1.05 C +ATOM 855 CD GLN A 55 13.542 5.750 3.472 1.00 1.22 C +ATOM 856 NE2 GLN A 55 14.698 6.338 3.616 1.00 1.89 N +ATOM 857 OE1 GLN A 55 12.710 5.822 4.354 1.00 1.82 O +ATOM 858 H01 GLN A 55 11.790 6.405 0.869 1.00 0.46 H +ATOM 859 H02 GLN A 55 9.873 5.646 -0.678 1.00 0.53 H +ATOM 860 H03 GLN A 55 11.622 3.669 1.656 1.00 0.55 H +ATOM 861 H04 GLN A 55 11.337 4.644 3.116 1.00 0.55 H +ATOM 862 H05 GLN A 55 13.534 5.580 1.325 1.00 1.05 H +ATOM 863 H06 GLN A 55 13.825 4.047 2.182 1.00 1.05 H +ATOM 864 H07 GLN A 55 14.901 6.853 4.461 1.00 1.89 H +ATOM 865 H08 GLN A 55 15.390 6.278 2.883 1.00 1.89 H +ATOM 866 H12 GLN A 55 10.223 7.403 2.360 1.00 0.53 H +ATOM 867 N GLU A 57 10.824 5.355 -3.595 1.00 0.67 N +ATOM 868 CA GLU A 57 11.784 4.768 -4.576 1.00 0.65 C +ATOM 869 C GLU A 57 12.637 3.708 -3.882 1.00 0.58 C +ATOM 870 O GLU A 57 13.002 2.709 -4.467 1.00 0.58 O +ATOM 871 CB GLU A 57 12.703 5.861 -5.118 1.00 0.80 C +ATOM 872 CG GLU A 57 11.991 6.634 -6.229 1.00 1.16 C +ATOM 873 CD GLU A 57 12.794 7.891 -6.571 1.00 1.75 C +ATOM 874 OE1 GLU A 57 13.812 8.110 -5.935 1.00 2.34 O +ATOM 875 OE2 GLU A 57 12.378 8.612 -7.462 1.00 2.41 O1- +ATOM 876 H01 GLU A 57 10.673 6.329 -3.813 1.00 0.67 H +ATOM 877 H02 GLU A 57 11.224 4.319 -5.396 1.00 0.65 H +ATOM 878 H03 GLU A 57 13.607 5.403 -5.521 1.00 0.80 H +ATOM 879 H04 GLU A 57 12.967 6.546 -4.312 1.00 0.80 H +ATOM 880 H05 GLU A 57 10.995 6.920 -5.891 1.00 1.16 H +ATOM 881 H06 GLU A 57 11.906 6.004 -7.114 1.00 1.16 H +ATOM 882 H09 GLU A 57 11.203 5.273 -2.662 1.00 0.67 H +ATOM 883 N GLN A 58 12.961 3.924 -2.638 1.00 0.58 N +ATOM 884 CA GLN A 58 13.786 2.942 -1.899 1.00 0.60 C +ATOM 885 C GLN A 58 12.982 1.655 -1.731 1.00 0.53 C +ATOM 886 O GLN A 58 13.524 0.569 -1.730 1.00 0.56 O +ATOM 887 CB GLN A 58 14.158 3.516 -0.530 1.00 0.69 C +ATOM 888 CG GLN A 58 15.064 4.735 -0.723 1.00 0.94 C +ATOM 889 CD GLN A 58 16.526 4.322 -0.542 1.00 1.56 C +ATOM 890 NE2 GLN A 58 17.472 5.114 -0.966 1.00 1.94 N +ATOM 891 OE1 GLN A 58 16.810 3.268 -0.008 1.00 2.34 O +ATOM 892 H01 GLN A 58 14.702 2.729 -2.450 1.00 0.60 H +ATOM 893 H02 GLN A 58 14.683 2.759 0.053 1.00 0.69 H +ATOM 894 H03 GLN A 58 13.253 3.814 -0.001 1.00 0.69 H +ATOM 895 H04 GLN A 58 14.809 5.496 0.015 1.00 0.94 H +ATOM 896 H05 GLN A 58 14.922 5.138 -1.726 1.00 0.94 H +ATOM 897 H06 GLN A 58 18.440 4.851 -0.851 1.00 1.94 H +ATOM 898 H07 GLN A 58 12.648 4.766 -2.176 1.00 0.58 H +ATOM 899 H08 GLN A 58 17.236 5.990 -1.409 1.00 1.94 H +ATOM 900 N SER A 59 11.685 1.773 -1.611 1.00 0.52 N +ATOM 901 CA SER A 59 10.829 0.560 -1.473 1.00 0.52 C +ATOM 902 C SER A 59 10.318 0.172 -2.859 1.00 0.44 C +ATOM 903 O SER A 59 9.371 -0.576 -3.002 1.00 0.48 O +ATOM 904 CB SER A 59 9.639 0.859 -0.562 1.00 0.65 C +ATOM 905 OG SER A 59 9.861 0.266 0.709 1.00 1.39 O +ATOM 906 H01 SER A 59 11.410 -0.253 -1.038 1.00 0.52 H +ATOM 907 H02 SER A 59 8.730 0.449 -1.002 1.00 0.65 H +ATOM 908 H03 SER A 59 9.529 1.937 -0.447 1.00 0.65 H +ATOM 909 H04 SER A 59 10.158 -0.640 0.593 1.00 1.39 H +ATOM 910 H09 SER A 59 11.261 2.690 -1.612 1.00 0.52 H +ATOM 911 N LYS A 60 10.954 0.675 -3.881 1.00 0.41 N +ATOM 912 CA LYS A 60 10.532 0.342 -5.266 1.00 0.42 C +ATOM 913 C LYS A 60 11.614 -0.520 -5.922 1.00 0.44 C +ATOM 914 O LYS A 60 11.326 -1.436 -6.666 1.00 0.55 O +ATOM 915 CB LYS A 60 10.356 1.636 -6.062 1.00 0.51 C +ATOM 916 CG LYS A 60 9.518 1.361 -7.311 1.00 1.03 C +ATOM 917 CD LYS A 60 9.317 2.665 -8.084 1.00 1.61 C +ATOM 918 CE LYS A 60 9.529 2.412 -9.575 1.00 2.36 C +ATOM 919 NZ LYS A 60 10.507 3.397 -10.112 1.00 3.11 N1+ +ATOM 920 H01 LYS A 60 9.589 -0.204 -5.248 1.00 0.42 H +ATOM 921 H02 LYS A 60 11.334 2.013 -6.359 1.00 0.51 H +ATOM 922 H03 LYS A 60 9.852 2.378 -5.443 1.00 0.51 H +ATOM 923 H04 LYS A 60 8.548 0.958 -7.018 1.00 1.03 H +ATOM 924 H05 LYS A 60 11.738 1.294 -3.730 1.00 0.41 H +ATOM 925 H06 LYS A 60 10.033 0.638 -7.944 1.00 1.03 H +ATOM 926 H07 LYS A 60 10.036 3.407 -7.736 1.00 1.61 H +ATOM 927 H08 LYS A 60 8.305 3.034 -7.918 1.00 1.61 H +ATOM 928 H09 LYS A 60 8.580 2.520 -10.100 1.00 2.36 H +ATOM 929 H10 LYS A 60 9.912 1.402 -9.722 1.00 2.36 H +ATOM 930 H11 LYS A 60 11.367 2.923 -10.346 1.00 3.11 H +ATOM 931 H12 LYS A 60 10.127 3.832 -10.940 1.00 3.11 H +ATOM 932 H13 LYS A 60 10.692 4.103 -9.414 1.00 3.11 H +ATOM 933 N GLN A 61 12.860 -0.228 -5.655 1.00 0.51 N +ATOM 934 CA GLN A 61 13.963 -1.020 -6.264 1.00 0.62 C +ATOM 935 C GLN A 61 14.010 -2.425 -5.651 1.00 0.60 C +ATOM 936 O GLN A 61 13.841 -3.416 -6.332 1.00 0.66 O +ATOM 937 CB GLN A 61 15.297 -0.315 -6.006 1.00 0.73 C +ATOM 938 CG GLN A 61 15.326 1.021 -6.751 1.00 1.14 C +ATOM 939 CD GLN A 61 16.704 1.221 -7.385 1.00 1.66 C +ATOM 940 NE2 GLN A 61 17.024 2.390 -7.868 1.00 2.39 N +ATOM 941 OE1 GLN A 61 17.499 0.303 -7.440 1.00 2.16 O +ATOM 942 H01 GLN A 61 13.786 -1.104 -7.336 1.00 0.62 H +ATOM 943 H02 GLN A 61 16.113 -0.944 -6.362 1.00 0.73 H +ATOM 944 H03 GLN A 61 15.413 -0.137 -4.937 1.00 0.73 H +ATOM 945 H04 GLN A 61 15.127 1.832 -6.050 1.00 1.14 H +ATOM 946 H05 GLN A 61 14.563 1.020 -7.530 1.00 1.14 H +ATOM 947 H06 GLN A 61 17.932 2.532 -8.288 1.00 2.39 H +ATOM 948 H07 GLN A 61 16.364 3.153 -7.822 1.00 2.39 H +ATOM 949 H14 GLN A 61 13.075 0.538 -5.033 1.00 0.51 H +ATOM 950 N LEU A 62 14.264 -2.497 -4.372 1.00 0.64 N +ATOM 951 CA LEU A 62 14.358 -3.820 -3.661 1.00 0.71 C +ATOM 952 C LEU A 62 13.391 -4.833 -4.276 1.00 0.67 C +ATOM 953 O LEU A 62 13.653 -6.019 -4.302 1.00 0.94 O +ATOM 954 CB LEU A 62 13.995 -3.678 -2.170 1.00 0.78 C +ATOM 955 CG LEU A 62 13.609 -2.241 -1.817 1.00 0.78 C +ATOM 956 CD1 LEU A 62 12.330 -1.844 -2.561 1.00 0.66 C +ATOM 957 CD2 LEU A 62 13.367 -2.146 -0.310 1.00 0.94 C +ATOM 958 H01 LEU A 62 15.388 -4.162 -3.764 1.00 0.71 H +ATOM 959 H02 LEU A 62 12.449 -4.484 -4.699 1.00 0.67 H +ATOM 960 H03 LEU A 62 14.870 -3.950 -1.580 1.00 0.78 H +ATOM 961 H04 LEU A 62 13.155 -4.335 -1.946 1.00 0.78 H +ATOM 962 H05 LEU A 62 14.415 -1.568 -2.110 1.00 0.78 H +ATOM 963 H06 LEU A 62 11.568 -1.549 -1.840 1.00 0.66 H +ATOM 964 H07 LEU A 62 12.541 -1.008 -3.228 1.00 0.66 H +ATOM 965 H08 LEU A 62 14.401 -1.645 -3.848 1.00 0.64 H +ATOM 966 H09 LEU A 62 11.970 -2.692 -3.144 1.00 0.66 H +ATOM 967 H10 LEU A 62 12.318 -2.350 -0.098 1.00 0.94 H +ATOM 968 H11 LEU A 62 13.990 -2.877 0.205 1.00 0.94 H +ATOM 969 H12 LEU A 62 13.619 -1.144 0.037 1.00 0.94 H +ATOM 970 N GLU A 64 11.921 -4.721 -7.629 1.00 0.95 N +ATOM 971 CA GLU A 64 11.731 -4.227 -9.035 1.00 1.21 C +ATOM 972 C GLU A 64 10.247 -4.117 -9.389 1.00 1.18 C +ATOM 973 O GLU A 64 9.570 -5.108 -9.578 1.00 1.53 O +ATOM 974 CB GLU A 64 12.403 -5.214 -9.993 1.00 1.55 C +ATOM 975 CG GLU A 64 12.903 -4.472 -11.231 1.00 1.91 C +ATOM 976 CD GLU A 64 14.052 -5.257 -11.865 1.00 2.44 C +ATOM 977 OE1 GLU A 64 14.291 -6.373 -11.432 1.00 3.09 O +ATOM 978 OE2 GLU A 64 14.675 -4.730 -12.771 1.00 2.79 O1- +ATOM 979 H01 GLU A 64 12.291 -5.660 -7.649 1.00 0.95 H +ATOM 980 H02 GLU A 64 12.176 -3.236 -9.121 1.00 1.21 H +ATOM 981 H03 GLU A 64 11.680 -5.972 -10.295 1.00 1.55 H +ATOM 982 H04 GLU A 64 13.245 -5.691 -9.491 1.00 1.55 H +ATOM 983 H05 GLU A 64 13.255 -3.481 -10.944 1.00 1.91 H +ATOM 984 H06 GLU A 64 12.089 -4.373 -11.950 1.00 1.91 H +ATOM 985 H13 GLU A 64 11.033 -4.719 -7.148 1.00 0.95 H +ATOM 986 N ASN A 65 9.732 -2.920 -9.470 1.00 1.70 N +ATOM 987 CA ASN A 65 8.289 -2.761 -9.802 1.00 1.68 C +ATOM 988 C ASN A 65 7.456 -3.157 -8.582 1.00 0.85 C +ATOM 989 O ASN A 65 6.375 -3.697 -8.706 1.00 1.09 O +ATOM 990 CB ASN A 65 7.944 -3.685 -10.974 1.00 2.27 C +ATOM 991 CG ASN A 65 6.828 -3.063 -11.814 1.00 2.89 C +ATOM 992 ND2 ASN A 65 5.844 -3.815 -12.224 1.00 3.66 N +ATOM 993 OD1 ASN A 65 6.854 -1.884 -12.103 1.00 3.24 O +ATOM 994 H01 ASN A 65 8.077 -1.727 -10.075 1.00 1.68 H +ATOM 995 H02 ASN A 65 7.608 -4.647 -10.586 1.00 2.27 H +ATOM 996 H03 ASN A 65 8.828 -3.828 -11.595 1.00 2.27 H +ATOM 997 H04 ASN A 65 5.102 -3.416 -12.781 1.00 3.66 H +ATOM 998 H05 ASN A 65 5.824 -4.796 -11.984 1.00 3.66 H +ATOM 999 H07 ASN A 65 10.309 -2.107 -9.308 1.00 1.70 H +ATOM 1000 N GLY A 66 7.968 -2.928 -7.401 1.00 0.56 N +ATOM 1001 CA GLY A 66 7.225 -3.330 -6.177 1.00 1.20 C +ATOM 1002 C GLY A 66 6.279 -2.227 -5.680 1.00 0.91 C +ATOM 1003 O GLY A 66 5.073 -2.381 -5.677 1.00 1.26 O +ATOM 1004 H01 GLY A 66 7.956 -3.521 -5.391 1.00 1.20 H +ATOM 1005 H02 GLY A 66 6.639 -4.222 -6.399 1.00 1.20 H +ATOM 1006 H06 GLY A 66 8.869 -2.478 -7.320 1.00 0.56 H +ATOM 1007 N ALA A 67 6.826 -1.155 -5.185 1.00 0.39 N +ATOM 1008 CA ALA A 67 5.996 -0.071 -4.590 1.00 0.46 C +ATOM 1009 C ALA A 67 5.313 0.846 -5.615 1.00 0.34 C +ATOM 1010 O ALA A 67 4.352 1.513 -5.286 1.00 0.53 O +ATOM 1011 CB ALA A 67 6.909 0.777 -3.713 1.00 0.64 C +ATOM 1012 H01 ALA A 67 5.191 -0.552 -4.034 1.00 0.46 H +ATOM 1013 H02 ALA A 67 7.805 1.044 -4.273 1.00 0.64 H +ATOM 1014 H03 ALA A 67 7.831 -1.056 -5.205 1.00 0.39 H +ATOM 1015 H04 ALA A 67 6.385 1.685 -3.413 1.00 0.64 H +ATOM 1016 H05 ALA A 67 7.191 0.210 -2.826 1.00 0.64 H +ATOM 1017 N GLU A 68 5.778 0.935 -6.823 1.00 0.27 N +ATOM 1018 CA GLU A 68 5.129 1.851 -7.769 1.00 0.38 C +ATOM 1019 C GLU A 68 3.751 1.292 -8.176 1.00 0.39 C +ATOM 1020 O GLU A 68 2.884 2.021 -8.617 1.00 0.49 O +ATOM 1021 CB GLU A 68 6.069 2.020 -8.971 1.00 0.51 C +ATOM 1022 CG GLU A 68 5.274 2.020 -10.258 1.00 1.38 C +ATOM 1023 CD GLU A 68 6.148 2.521 -11.410 1.00 1.57 C +ATOM 1024 OE1 GLU A 68 6.989 3.370 -11.165 1.00 1.83 O +ATOM 1025 OE2 GLU A 68 5.961 2.047 -12.518 1.00 2.27 O1- +ATOM 1026 H01 GLU A 68 4.950 2.828 -7.320 1.00 0.38 H +ATOM 1027 H02 GLU A 68 6.776 1.191 -8.989 1.00 0.51 H +ATOM 1028 H03 GLU A 68 6.607 2.964 -8.879 1.00 0.51 H +ATOM 1029 H04 GLU A 68 4.413 2.680 -10.148 1.00 1.38 H +ATOM 1030 H05 GLU A 68 4.935 1.007 -10.474 1.00 1.38 H +ATOM 1031 H06 GLU A 68 6.574 0.383 -7.108 1.00 0.27 H +ATOM 1032 N SER A 69 3.544 0.011 -8.034 1.00 0.39 N +ATOM 1033 CA SER A 69 2.227 -0.585 -8.417 1.00 0.47 C +ATOM 1034 C SER A 69 1.196 -0.382 -7.297 1.00 0.37 C +ATOM 1035 O SER A 69 0.120 0.157 -7.510 1.00 0.35 O +ATOM 1036 CB SER A 69 2.405 -2.082 -8.669 1.00 0.58 C +ATOM 1037 OG SER A 69 2.127 -2.366 -10.033 1.00 0.90 O +ATOM 1038 H01 SER A 69 1.868 -0.091 -9.320 1.00 0.47 H +ATOM 1039 H02 SER A 69 1.720 -2.643 -8.033 1.00 0.58 H +ATOM 1040 H03 SER A 69 3.430 -2.371 -8.438 1.00 0.58 H +ATOM 1041 H04 SER A 69 1.847 -3.280 -10.119 1.00 0.90 H +ATOM 1042 H06 SER A 69 4.275 -0.579 -7.664 1.00 0.39 H +ATOM 1043 N VAL A 70 1.509 -0.818 -6.106 1.00 0.34 N +ATOM 1044 CA VAL A 70 0.544 -0.662 -4.984 1.00 0.27 C +ATOM 1045 C VAL A 70 0.107 0.793 -4.912 1.00 0.20 C +ATOM 1046 O VAL A 70 -1.057 1.098 -4.748 1.00 0.20 O +ATOM 1047 CB VAL A 70 1.215 -1.063 -3.671 1.00 0.31 C +ATOM 1048 CG1 VAL A 70 0.288 -0.737 -2.499 1.00 0.29 C +ATOM 1049 CG2 VAL A 70 1.504 -2.565 -3.687 1.00 0.41 C +ATOM 1050 H01 VAL A 70 -0.323 -1.301 -5.149 1.00 0.27 H +ATOM 1051 H02 VAL A 70 2.148 -0.511 -3.558 1.00 0.31 H +ATOM 1052 H03 VAL A 70 -0.678 -1.217 -2.656 1.00 0.29 H +ATOM 1053 H04 VAL A 70 0.730 -1.104 -1.573 1.00 0.29 H +ATOM 1054 H05 VAL A 70 2.403 -1.260 -5.947 1.00 0.34 H +ATOM 1055 H06 VAL A 70 0.150 0.342 -2.433 1.00 0.29 H +ATOM 1056 H07 VAL A 70 2.448 -2.758 -3.178 1.00 0.41 H +ATOM 1057 H08 VAL A 70 0.701 -3.096 -3.175 1.00 0.41 H +ATOM 1058 H09 VAL A 70 1.570 -2.912 -4.718 1.00 0.41 H +ATOM 1059 N LEU A 71 1.033 1.696 -5.048 1.00 0.24 N +ATOM 1060 CA LEU A 71 0.663 3.134 -5.002 1.00 0.23 C +ATOM 1061 C LEU A 71 -0.340 3.411 -6.113 1.00 0.23 C +ATOM 1062 O LEU A 71 -1.335 4.061 -5.909 1.00 0.23 O +ATOM 1063 CB LEU A 71 1.897 3.996 -5.229 1.00 0.30 C +ATOM 1064 CG LEU A 71 1.476 5.464 -5.305 1.00 0.35 C +ATOM 1065 CD1 LEU A 71 1.177 5.986 -3.899 1.00 0.36 C +ATOM 1066 CD2 LEU A 71 2.605 6.290 -5.924 1.00 0.43 C +ATOM 1067 H01 LEU A 71 0.234 3.369 -4.028 1.00 0.23 H +ATOM 1068 H02 LEU A 71 2.381 3.705 -6.161 1.00 0.30 H +ATOM 1069 H03 LEU A 71 2.596 3.858 -4.404 1.00 0.30 H +ATOM 1070 H04 LEU A 71 0.582 5.550 -5.922 1.00 0.35 H +ATOM 1071 H05 LEU A 71 0.137 5.777 -3.648 1.00 0.36 H +ATOM 1072 H06 LEU A 71 1.830 5.491 -3.180 1.00 0.36 H +ATOM 1073 H07 LEU A 71 1.349 7.062 -3.866 1.00 0.36 H +ATOM 1074 H08 LEU A 71 3.495 5.669 -6.027 1.00 0.43 H +ATOM 1075 H09 LEU A 71 2.297 6.649 -6.906 1.00 0.43 H +ATOM 1076 H10 LEU A 71 1.996 1.422 -5.184 1.00 0.24 H +ATOM 1077 H11 LEU A 71 2.829 7.140 -5.280 1.00 0.43 H +ATOM 1078 N GLN A 72 -0.083 2.914 -7.289 1.00 0.28 N +ATOM 1079 CA GLN A 72 -1.027 3.138 -8.419 1.00 0.30 C +ATOM 1080 C GLN A 72 -2.417 2.716 -7.977 1.00 0.25 C +ATOM 1081 O GLN A 72 -3.408 3.314 -8.334 1.00 0.25 O +ATOM 1082 CB GLN A 72 -0.583 2.279 -9.617 1.00 0.35 C +ATOM 1083 CG GLN A 72 -1.789 1.868 -10.473 1.00 1.18 C +ATOM 1084 CD GLN A 72 -1.304 1.317 -11.813 1.00 1.42 C +ATOM 1085 NE2 GLN A 72 -1.144 0.029 -11.955 1.00 1.97 N +ATOM 1086 OE1 GLN A 72 -1.069 2.064 -12.742 1.00 1.78 O +ATOM 1087 H01 GLN A 72 -1.034 4.189 -8.708 1.00 0.30 H +ATOM 1088 H02 GLN A 72 -0.101 1.377 -9.239 1.00 0.35 H +ATOM 1089 H03 GLN A 72 0.112 2.853 -10.230 1.00 0.35 H +ATOM 1090 H04 GLN A 72 -2.421 2.738 -10.648 1.00 1.18 H +ATOM 1091 H05 GLN A 72 -2.361 1.101 -9.950 1.00 1.18 H +ATOM 1092 H06 GLN A 72 -0.824 -0.346 -12.837 1.00 1.97 H +ATOM 1093 H07 GLN A 72 -1.340 -0.592 -11.183 1.00 1.97 H +ATOM 1094 H12 GLN A 72 0.759 2.375 -7.435 1.00 0.28 H +ATOM 1095 N VAL A 73 -2.487 1.666 -7.230 1.00 0.23 N +ATOM 1096 CA VAL A 73 -3.797 1.162 -6.774 1.00 0.20 C +ATOM 1097 C VAL A 73 -4.352 2.055 -5.661 1.00 0.16 C +ATOM 1098 O VAL A 73 -5.547 2.201 -5.514 1.00 0.16 O +ATOM 1099 CB VAL A 73 -3.590 -0.254 -6.268 1.00 0.21 C +ATOM 1100 CG1 VAL A 73 -4.840 -0.752 -5.547 1.00 0.20 C +ATOM 1101 CG2 VAL A 73 -3.258 -1.151 -7.468 1.00 0.26 C +ATOM 1102 H01 VAL A 73 -4.517 1.171 -7.592 1.00 0.20 H +ATOM 1103 H02 VAL A 73 -3.662 2.568 -4.990 1.00 0.16 H +ATOM 1104 H03 VAL A 73 -2.768 -0.279 -5.553 1.00 0.21 H +ATOM 1105 H04 VAL A 73 -5.671 -0.798 -6.251 1.00 0.20 H +ATOM 1106 H05 VAL A 73 -4.654 -1.746 -5.141 1.00 0.20 H +ATOM 1107 H06 VAL A 73 -5.089 -0.068 -4.736 1.00 0.20 H +ATOM 1108 H07 VAL A 73 -2.234 -1.513 -7.378 1.00 0.26 H +ATOM 1109 H08 VAL A 73 -1.641 1.187 -6.956 1.00 0.23 H +ATOM 1110 H09 VAL A 73 -3.942 -1.999 -7.488 1.00 0.26 H +ATOM 1111 H10 VAL A 73 -3.361 -0.578 -8.390 1.00 0.26 H +ATOM 1112 N ARG A 75 -3.859 5.334 -5.388 1.00 0.19 N +ATOM 1113 CA ARG A 75 -4.271 6.610 -6.018 1.00 0.23 C +ATOM 1114 C ARG A 75 -5.453 6.341 -6.929 1.00 0.24 C +ATOM 1115 O ARG A 75 -6.368 7.124 -7.030 1.00 0.33 O +ATOM 1116 CB ARG A 75 -3.119 7.150 -6.851 1.00 0.26 C +ATOM 1117 CG ARG A 75 -1.995 7.625 -5.930 1.00 0.54 C +ATOM 1118 CD ARG A 75 -1.790 9.130 -6.107 1.00 1.28 C +ATOM 1119 NE ARG A 75 -1.186 9.394 -7.445 1.00 1.38 N +ATOM 1120 CZ ARG A 75 -1.177 10.604 -7.930 1.00 1.76 C +ATOM 1121 H01 ARG A 75 -3.693 4.642 -6.105 1.00 0.19 H +ATOM 1122 H02 ARG A 75 -4.543 7.335 -5.251 1.00 0.23 H +ATOM 1123 H03 ARG A 75 -3.471 7.988 -7.452 1.00 0.26 H +ATOM 1124 H04 ARG A 75 -2.744 6.363 -7.505 1.00 0.26 H +ATOM 1125 H05 ARG A 75 -1.073 7.102 -6.184 1.00 0.54 H +ATOM 1126 H06 ARG A 75 -2.260 7.413 -4.894 1.00 0.54 H +ATOM 1127 H07 ARG A 75 -1.124 9.501 -5.328 1.00 1.28 H +ATOM 1128 H08 ARG A 75 -2.751 9.640 -6.034 1.00 1.28 H +ATOM 1129 H09 ARG A 75 -0.223 9.092 -7.395 1.00 1.38 H +ATOM 1130 H10 ARG A 75 -0.394 11.184 -7.443 1.00 1.76 H +ATOM 1131 H11 ARG A 75 -4.590 5.011 -4.771 1.00 0.19 H +ATOM 1132 H12 ARG A 75 -0.986 10.565 -9.002 1.00 1.76 H +ATOM 1133 H13 ARG A 75 -2.143 11.076 -7.750 1.00 1.76 H +ATOM 1134 N GLU A 76 -5.429 5.219 -7.581 1.00 0.22 N +ATOM 1135 CA GLU A 76 -6.544 4.838 -8.482 1.00 0.23 C +ATOM 1136 C GLU A 76 -7.787 4.692 -7.616 1.00 0.21 C +ATOM 1137 O GLU A 76 -8.839 5.219 -7.917 1.00 0.23 O +ATOM 1138 CB GLU A 76 -6.206 3.501 -9.129 1.00 0.24 C +ATOM 1139 CG GLU A 76 -5.555 3.723 -10.494 1.00 0.30 C +ATOM 1140 CD GLU A 76 -6.631 4.058 -11.527 1.00 0.89 C +ATOM 1141 OE1 GLU A 76 -7.781 3.734 -11.282 1.00 1.65 O +ATOM 1142 OE2 GLU A 76 -6.286 4.632 -12.547 1.00 1.48 O1- +ATOM 1143 H01 GLU A 76 -6.707 5.582 -9.262 1.00 0.23 H +ATOM 1144 H02 GLU A 76 -7.124 2.929 -9.263 1.00 0.24 H +ATOM 1145 H03 GLU A 76 -5.517 2.953 -8.486 1.00 0.24 H +ATOM 1146 H04 GLU A 76 -5.032 2.816 -10.797 1.00 0.30 H +ATOM 1147 H05 GLU A 76 -4.845 4.547 -10.428 1.00 0.30 H +ATOM 1148 H14 GLU A 76 -4.641 4.597 -7.473 1.00 0.22 H +ATOM 1149 N ALA A 77 -7.653 4.005 -6.512 1.00 0.18 N +ATOM 1150 CA ALA A 77 -8.796 3.857 -5.591 1.00 0.17 C +ATOM 1151 C ALA A 77 -9.143 5.259 -5.113 1.00 0.19 C +ATOM 1152 O ALA A 77 -10.294 5.632 -5.003 1.00 0.20 O +ATOM 1153 CB ALA A 77 -8.403 2.975 -4.403 1.00 0.17 C +ATOM 1154 H01 ALA A 77 -9.646 3.385 -6.084 1.00 0.17 H +ATOM 1155 H02 ALA A 77 -7.537 3.406 -3.902 1.00 0.17 H +ATOM 1156 H03 ALA A 77 -9.236 2.916 -3.702 1.00 0.17 H +ATOM 1157 H04 ALA A 77 -8.156 1.975 -4.758 1.00 0.17 H +ATOM 1158 H06 ALA A 77 -6.766 3.575 -6.289 1.00 0.18 H +ATOM 1159 N LYS A 78 -8.133 6.059 -4.876 1.00 0.21 N +ATOM 1160 CA LYS A 78 -8.377 7.464 -4.462 1.00 0.24 C +ATOM 1161 C LYS A 78 -9.200 8.121 -5.560 1.00 0.28 C +ATOM 1162 O LYS A 78 -9.990 9.016 -5.336 1.00 0.32 O +ATOM 1163 CB LYS A 78 -7.038 8.187 -4.372 1.00 0.26 C +ATOM 1164 CG LYS A 78 -7.077 9.218 -3.247 1.00 0.32 C +ATOM 1165 CD LYS A 78 -7.173 10.619 -3.855 1.00 0.70 C +ATOM 1166 CE LYS A 78 -7.216 11.663 -2.738 1.00 0.99 C +ATOM 1167 NZ LYS A 78 -6.353 12.821 -3.109 1.00 1.50 N1+ +ATOM 1168 H01 LYS A 78 -8.889 7.505 -3.501 1.00 0.24 H +ATOM 1169 H02 LYS A 78 -6.841 8.695 -5.316 1.00 0.26 H +ATOM 1170 H03 LYS A 78 -6.248 7.463 -4.172 1.00 0.26 H +ATOM 1171 H04 LYS A 78 -6.171 9.140 -2.646 1.00 0.32 H +ATOM 1172 H05 LYS A 78 -7.187 5.720 -4.975 1.00 0.21 H +ATOM 1173 H06 LYS A 78 -7.944 9.034 -2.613 1.00 0.32 H +ATOM 1174 H07 LYS A 78 -8.082 10.692 -4.452 1.00 0.70 H +ATOM 1175 H08 LYS A 78 -6.305 10.800 -4.488 1.00 0.70 H +ATOM 1176 H09 LYS A 78 -6.851 11.220 -1.811 1.00 0.99 H +ATOM 1177 H10 LYS A 78 -8.242 12.003 -2.597 1.00 0.99 H +ATOM 1178 H11 LYS A 78 -5.473 12.482 -3.470 1.00 1.50 H +ATOM 1179 H12 LYS A 78 -6.816 13.374 -3.816 1.00 1.50 H +ATOM 1180 H13 LYS A 78 -6.184 13.391 -2.293 1.00 1.50 H +ATOM 1181 N ALA A 79 -8.984 7.664 -6.756 1.00 0.28 N +ATOM 1182 CA ALA A 79 -9.690 8.204 -7.933 1.00 0.33 C +ATOM 1183 C ALA A 79 -11.110 7.645 -7.972 1.00 0.32 C +ATOM 1184 O ALA A 79 -12.027 8.262 -8.477 1.00 0.38 O +ATOM 1185 CB ALA A 79 -8.920 7.757 -9.173 1.00 0.35 C +ATOM 1186 H01 ALA A 79 -9.746 9.292 -7.891 1.00 0.33 H +ATOM 1187 H02 ALA A 79 -7.926 7.420 -8.880 1.00 0.35 H +ATOM 1188 H03 ALA A 79 -9.453 6.939 -9.657 1.00 0.35 H +ATOM 1189 H04 ALA A 79 -8.830 8.593 -9.866 1.00 0.35 H +ATOM 1190 H14 ALA A 79 -8.314 6.919 -6.884 1.00 0.28 H +ATOM 1191 N GLU A 80 -11.285 6.472 -7.440 1.00 0.28 N +ATOM 1192 CA GLU A 80 -12.620 5.829 -7.425 1.00 0.29 C +ATOM 1193 C GLU A 80 -13.585 6.626 -6.544 1.00 0.37 C +ATOM 1194 O GLU A 80 -14.762 6.332 -6.476 1.00 0.68 O +ATOM 1195 CB GLU A 80 -12.466 4.417 -6.865 1.00 0.32 C +ATOM 1196 CG GLU A 80 -12.076 3.469 -7.995 1.00 0.45 C +ATOM 1197 CD GLU A 80 -13.336 2.876 -8.627 1.00 0.67 C +ATOM 1198 OE1 GLU A 80 -13.927 3.543 -9.460 1.00 1.40 O +ATOM 1199 OE2 GLU A 80 -13.688 1.764 -8.269 1.00 1.30 O1- +ATOM 1200 H01 GLU A 80 -13.023 5.797 -8.437 1.00 0.29 H +ATOM 1201 H02 GLU A 80 -13.409 4.093 -6.425 1.00 0.32 H +ATOM 1202 H03 GLU A 80 -11.691 4.410 -6.099 1.00 0.32 H +ATOM 1203 H04 GLU A 80 -11.460 2.664 -7.595 1.00 0.45 H +ATOM 1204 H05 GLU A 80 -10.498 5.991 -7.030 1.00 0.28 H +ATOM 1205 H06 GLU A 80 -11.514 4.017 -8.751 1.00 0.45 H +ATOM 1206 N GLY A 81 -13.098 7.621 -5.858 1.00 0.39 N +ATOM 1207 CA GLY A 81 -13.987 8.421 -4.973 1.00 0.45 C +ATOM 1208 C GLY A 81 -13.572 8.186 -3.522 1.00 0.39 C +ATOM 1209 O GLY A 81 -13.963 8.908 -2.626 1.00 0.45 O +ATOM 1210 H01 GLY A 81 -15.024 8.118 -5.116 1.00 0.45 H +ATOM 1211 H02 GLY A 81 -13.892 9.479 -5.216 1.00 0.45 H +ATOM 1212 H07 GLY A 81 -12.117 7.849 -5.927 1.00 0.39 H +ATOM 1213 N CYS A 82 -12.776 7.179 -3.288 1.00 0.41 N +ATOM 1214 CA CYS A 82 -12.322 6.888 -1.905 1.00 0.38 C +ATOM 1215 C CYS A 82 -11.476 8.057 -1.395 1.00 0.38 C +ATOM 1216 O CYS A 82 -10.977 8.854 -2.164 1.00 0.49 O +ATOM 1217 CB CYS A 82 -11.480 5.614 -1.920 1.00 0.39 C +ATOM 1218 SG CYS A 82 -12.566 4.168 -1.820 1.00 0.63 S +ATOM 1219 H01 CYS A 82 -13.182 6.753 -1.249 1.00 0.38 H +ATOM 1220 H02 CYS A 82 -10.802 5.618 -1.066 1.00 0.39 H +ATOM 1221 H03 CYS A 82 -12.467 6.595 -4.052 1.00 0.41 H +ATOM 1222 H04 CYS A 82 -10.902 5.571 -2.843 1.00 0.39 H +ATOM 1223 H05 CYS A 82 -12.827 3.893 -0.535 1.00 0.63 H +ATOM 1224 N ASP A 83 -11.316 8.173 -0.105 1.00 0.32 N +ATOM 1225 CA ASP A 83 -10.510 9.298 0.444 1.00 0.37 C +ATOM 1226 C ASP A 83 -9.188 8.769 1.009 1.00 0.36 C +ATOM 1227 O ASP A 83 -8.935 8.844 2.195 1.00 0.57 O +ATOM 1228 CB ASP A 83 -11.305 9.984 1.553 1.00 0.42 C +ATOM 1229 CG ASP A 83 -10.709 11.364 1.834 1.00 0.53 C +ATOM 1230 OD1 ASP A 83 -9.782 11.437 2.624 1.00 1.11 O +ATOM 1231 OD2 ASP A 83 -11.191 12.324 1.255 1.00 1.30 O1- +ATOM 1232 H01 ASP A 83 -10.292 10.011 -0.351 1.00 0.37 H +ATOM 1233 H02 ASP A 83 -11.258 9.379 2.458 1.00 0.42 H +ATOM 1234 H03 ASP A 83 -12.344 10.093 1.241 1.00 0.42 H +ATOM 1235 H06 ASP A 83 -11.738 7.501 0.520 1.00 0.32 H +ATOM 1236 N ILE A 84 -8.339 8.244 0.168 1.00 0.33 N +ATOM 1237 CA ILE A 84 -7.028 7.720 0.652 1.00 0.31 C +ATOM 1238 C ILE A 84 -5.965 8.818 0.503 1.00 0.34 C +ATOM 1239 O ILE A 84 -5.289 8.905 -0.503 1.00 0.67 O +ATOM 1240 CB ILE A 84 -6.622 6.513 -0.191 1.00 0.30 C +ATOM 1241 CG1 ILE A 84 -7.546 5.345 0.117 1.00 0.50 C +ATOM 1242 CG2 ILE A 84 -5.182 6.114 0.131 1.00 0.28 C +ATOM 1243 CD1 ILE A 84 -8.049 4.762 -1.198 1.00 0.34 C +ATOM 1244 H01 ILE A 84 -7.114 7.424 1.697 1.00 0.31 H +ATOM 1245 H02 ILE A 84 -5.814 9.531 1.313 1.00 0.34 H +ATOM 1246 H03 ILE A 84 -6.697 6.774 -1.247 1.00 0.30 H +ATOM 1247 H04 ILE A 84 -8.570 8.192 -0.814 1.00 0.33 H +ATOM 1248 H05 ILE A 84 -8.388 5.686 0.719 1.00 0.50 H +ATOM 1249 H06 ILE A 84 -7.001 4.582 0.673 1.00 0.50 H +ATOM 1250 H07 ILE A 84 -4.558 7.007 0.169 1.00 0.28 H +ATOM 1251 H08 ILE A 84 -5.152 5.609 1.096 1.00 0.28 H +ATOM 1252 H09 ILE A 84 -4.809 5.443 -0.643 1.00 0.28 H +ATOM 1253 H10 ILE A 84 -8.932 5.312 -1.524 1.00 0.34 H +ATOM 1254 H11 ILE A 84 -7.269 4.846 -1.955 1.00 0.34 H +ATOM 1255 H12 ILE A 84 -8.307 3.713 -1.056 1.00 0.34 H +ATOM 1256 N ILE A 86 -3.051 10.211 -0.200 1.00 0.41 N +ATOM 1257 CA ILE A 86 -1.727 9.654 -0.602 1.00 0.40 C +ATOM 1258 C ILE A 86 -0.610 10.583 -0.118 1.00 0.44 C +ATOM 1259 O ILE A 86 -0.489 11.706 -0.564 1.00 0.59 O +ATOM 1260 CB ILE A 86 -1.665 9.540 -2.126 1.00 0.38 C +ATOM 1261 CG1 ILE A 86 -2.821 8.668 -2.620 1.00 0.74 C +ATOM 1262 CG2 ILE A 86 -0.331 8.915 -2.540 1.00 0.93 C +ATOM 1263 CD1 ILE A 86 -2.613 7.223 -2.166 1.00 0.32 C +ATOM 1264 H01 ILE A 86 -3.316 10.946 -0.840 1.00 0.41 H +ATOM 1265 H02 ILE A 86 -1.599 8.668 -0.155 1.00 0.40 H +ATOM 1266 H03 ILE A 86 -1.748 10.533 -2.569 1.00 0.38 H +ATOM 1267 H04 ILE A 86 -2.855 8.701 -3.709 1.00 0.74 H +ATOM 1268 H05 ILE A 86 -3.759 9.045 -2.212 1.00 0.74 H +ATOM 1269 H06 ILE A 86 0.436 9.181 -1.812 1.00 0.93 H +ATOM 1270 H07 ILE A 86 -0.434 7.831 -2.578 1.00 0.93 H +ATOM 1271 H08 ILE A 86 -0.044 9.288 -3.523 1.00 0.93 H +ATOM 1272 H09 ILE A 86 -1.740 7.169 -1.516 1.00 0.32 H +ATOM 1273 H10 ILE A 86 -3.493 6.883 -1.621 1.00 0.32 H +ATOM 1274 H11 ILE A 86 -2.456 6.587 -3.037 1.00 0.32 H +ATOM 1275 H13 ILE A 86 -2.989 10.585 0.736 1.00 0.41 H +ATOM 1276 N ILE A 87 0.212 10.123 0.786 1.00 0.39 N +ATOM 1277 CA ILE A 87 1.322 10.982 1.287 1.00 0.44 C +ATOM 1278 C ILE A 87 2.659 10.368 0.860 1.00 0.44 C +ATOM 1279 O ILE A 87 3.132 9.413 1.442 1.00 0.55 O +ATOM 1280 CB ILE A 87 1.247 11.073 2.813 1.00 0.46 C +ATOM 1281 CG1 ILE A 87 0.091 11.995 3.208 1.00 0.57 C +ATOM 1282 CG2 ILE A 87 2.556 11.640 3.362 1.00 0.55 C +ATOM 1283 CD1 ILE A 87 -0.237 11.800 4.689 1.00 0.61 C +ATOM 1284 H01 ILE A 87 1.236 11.985 0.869 1.00 0.44 H +ATOM 1285 H02 ILE A 87 1.084 10.078 3.227 1.00 0.46 H +ATOM 1286 H03 ILE A 87 -0.786 11.753 2.608 1.00 0.57 H +ATOM 1287 H04 ILE A 87 0.377 13.032 3.032 1.00 0.57 H +ATOM 1288 H05 ILE A 87 3.303 11.663 2.568 1.00 0.55 H +ATOM 1289 H06 ILE A 87 2.388 12.652 3.731 1.00 0.55 H +ATOM 1290 H07 ILE A 87 2.912 11.010 4.177 1.00 0.55 H +ATOM 1291 H08 ILE A 87 -1.276 11.488 4.792 1.00 0.61 H +ATOM 1292 H09 ILE A 87 0.415 11.034 5.108 1.00 0.61 H +ATOM 1293 H10 ILE A 87 -0.085 12.739 5.222 1.00 0.61 H +ATOM 1294 H12 ILE A 87 0.096 9.186 1.145 1.00 0.39 H +ATOM 1295 N LEU A 88 3.259 10.902 -0.170 1.00 0.50 N +ATOM 1296 CA LEU A 88 4.552 10.348 -0.662 1.00 0.52 C +ATOM 1297 C LEU A 88 5.728 11.146 -0.093 1.00 0.56 C +ATOM 1298 O LEU A 88 5.984 12.263 -0.495 1.00 0.80 O +ATOM 1299 CB LEU A 88 4.558 10.413 -2.173 1.00 0.59 C +ATOM 1300 CG LEU A 88 3.653 9.297 -2.669 1.00 0.82 C +ATOM 1301 CD1 LEU A 88 2.691 9.851 -3.697 1.00 0.94 C +ATOM 1302 CD2 LEU A 88 4.496 8.193 -3.286 1.00 1.57 C +ATOM 1303 H01 LEU A 88 4.657 9.314 -0.334 1.00 0.52 H +ATOM 1304 H02 LEU A 88 5.569 10.296 -2.563 1.00 0.59 H +ATOM 1305 H03 LEU A 88 4.181 11.379 -2.508 1.00 0.59 H +ATOM 1306 H04 LEU A 88 3.087 8.885 -1.833 1.00 0.82 H +ATOM 1307 H05 LEU A 88 1.812 10.253 -3.192 1.00 0.94 H +ATOM 1308 H06 LEU A 88 3.180 10.645 -4.262 1.00 0.94 H +ATOM 1309 H07 LEU A 88 2.387 9.055 -4.377 1.00 0.94 H +ATOM 1310 H08 LEU A 88 5.459 8.144 -2.777 1.00 1.57 H +ATOM 1311 H09 LEU A 88 3.980 7.239 -3.179 1.00 1.57 H +ATOM 1312 H10 LEU A 88 4.655 8.404 -4.343 1.00 1.57 H +ATOM 1313 H11 LEU A 88 2.844 11.696 -0.636 1.00 0.50 H +ATOM 1314 N SER A 89 6.445 10.581 0.841 1.00 0.55 N +ATOM 1315 CA SER A 89 7.604 11.308 1.435 1.00 0.62 C +ATOM 1316 C SER A 89 8.908 10.659 0.968 1.00 0.85 C +ATOM 1317 O SER A 89 8.935 9.445 0.852 1.00 1.41 O +ATOM 1318 CB SER A 89 7.520 11.241 2.961 1.00 0.87 C +ATOM 1319 OG SER A 89 7.246 12.538 3.473 1.00 1.64 O +ATOM 1320 OXT SER A 89 9.859 11.388 0.735 1.00 1.52 O1- +ATOM 1321 H01 SER A 89 7.582 12.350 1.115 1.00 0.62 H +ATOM 1322 H02 SER A 89 8.467 10.882 3.363 1.00 0.87 H +ATOM 1323 H03 SER A 89 6.723 10.557 3.253 1.00 0.87 H +ATOM 1324 H04 SER A 89 7.274 13.178 2.758 1.00 1.64 H +ATOM 1325 H11 SER A 89 6.215 9.651 1.161 1.00 0.55 H +TER +END