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- 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
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