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