USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 818 hydrogens (0 hets) 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0 (180deg=-0.0669) USER MOD Single : A 3 THR OG1 : rot 146:sc= 1.28 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -1.14 K(o=-1.1,f=-6.9!) USER MOD Single : A 14 LYS NZ :NH3+ 165:sc= -0.0234 (180deg=-0.216) USER MOD Single : A 19 THR OG1 : rot -85:sc= 1.23 USER MOD Single : A 22 HIS : no HE2:sc= 1.24 K(o=1.2,f=-5.3!) USER MOD Single : A 28 TYR OH : rot 158:sc= 1.03 USER MOD Single : A 29 LYS NZ :NH3+ 166:sc= 1.1 (180deg=0.666) USER MOD Single : A 30 MET CE :methyl 158:sc= -0.102 (180deg=-0.694) USER MOD Single : A 32 ASN : amide:sc= -0.0115 X(o=-0.012,f=-0.37) USER MOD Single : A 33 ASN : amide:sc= -0.235 K(o=-0.24,f=-1.3) USER MOD Single : A 35 LYS NZ :NH3+ 142:sc= -0.121 (180deg=-0.695) USER MOD Single : A 37 MET CE :methyl 146:sc= 0 (180deg=-1.87!) USER MOD Single : A 41 HIS : no HD1:sc= -0.118 X(o=-0.12,f=0) USER MOD Single : A 42 THR OG1 : rot 123:sc= -0.635 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 167:sc= 1.85 (180deg=1.51) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -0.0848 X(o=-0.085,f=0.00017) USER MOD Single : A 58 CYS SG : rot -67:sc= -0.947! USER MOD Single : A 64 HIS :FLIP no HD1:sc= 0.196 F(o=-0.75,f=0.2) USER MOD Single : A 66 SER OG : rot 86:sc= 0.302 USER MOD Single : A 67 SER OG : rot 88:sc= 0.461 USER MOD Single : A 68 HIS : no HD1:sc= -0.281 X(o=-0.28,f=-0.0076) USER MOD Single : A 69 SER OG : rot -63:sc= 0.0249 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot -95:sc= -2.49 USER MOD Single : A 77 SER OG : rot -51:sc= 1.36 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -60:sc= -2.62! USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0.561 K(o=0.56,f=-2.4!) USER MOD Single : A 89 SER OG : rot -42:sc= 0.137 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HIS : no HD1:sc= -0.0579 X(o=-0.058,f=0) USER MOD Single : A 96 SER OG : rot -98:sc= 1.17 USER MOD Single : A 100 LYS NZ :NH3+ 160:sc= 0.876 (180deg=0.334) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot -99:sc= 0.0429 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.702 10.530 -12.467 1.00 7.43 N ATOM 2 CA MET A 1 15.054 11.063 -12.179 1.00 7.42 C ATOM 3 C MET A 1 15.251 11.233 -10.679 1.00 7.11 C ATOM 4 O MET A 1 15.976 10.458 -10.055 1.00 7.15 O ATOM 5 CB MET A 1 15.280 12.398 -12.896 1.00 7.88 C ATOM 6 CG MET A 1 15.323 12.279 -14.410 1.00 8.36 C ATOM 7 SD MET A 1 15.613 13.861 -15.223 1.00 9.39 S ATOM 8 CE MET A 1 15.532 13.372 -16.945 1.00 9.95 C ATOM 0 H1 MET A 1 13.630 10.292 -13.477 1.00 7.43 H new ATOM 0 H2 MET A 1 13.537 9.675 -11.898 1.00 7.43 H new ATOM 0 H3 MET A 1 12.988 11.248 -12.229 1.00 7.43 H new ATOM 0 HA MET A 1 15.786 10.346 -12.551 1.00 7.42 H new ATOM 0 HB2 MET A 1 14.485 13.089 -12.617 1.00 7.88 H new ATOM 0 HB3 MET A 1 16.217 12.833 -12.548 1.00 7.88 H new ATOM 0 HG2 MET A 1 16.110 11.580 -14.693 1.00 8.36 H new ATOM 0 HG3 MET A 1 14.381 11.860 -14.764 1.00 8.36 H new ATOM 0 HE1 MET A 1 15.693 14.244 -17.579 1.00 9.95 H new ATOM 0 HE2 MET A 1 16.303 12.628 -17.149 1.00 9.95 H new ATOM 0 HE3 MET A 1 14.551 12.946 -17.156 1.00 9.95 H new ATOM 20 N ALA A 2 14.599 12.237 -10.096 1.00 7.11 N ATOM 21 CA ALA A 2 14.670 12.450 -8.655 1.00 7.16 C ATOM 22 C ALA A 2 13.992 11.301 -7.920 1.00 6.34 C ATOM 23 O ALA A 2 14.423 10.895 -6.842 1.00 6.43 O ATOM 24 CB ALA A 2 14.035 13.778 -8.274 1.00 7.97 C ATOM 0 H ALA A 2 14.020 12.911 -10.597 1.00 7.11 H new ATOM 0 HA ALA A 2 15.719 12.481 -8.361 1.00 7.16 H new ATOM 0 HB1 ALA A 2 14.099 13.916 -7.195 1.00 7.97 H new ATOM 0 HB2 ALA A 2 14.561 14.590 -8.775 1.00 7.97 H new ATOM 0 HB3 ALA A 2 12.988 13.781 -8.578 1.00 7.97 H new ATOM 30 N THR A 3 12.933 10.785 -8.516 1.00 5.73 N ATOM 31 CA THR A 3 12.274 9.599 -8.010 1.00 5.02 C ATOM 32 C THR A 3 12.109 8.585 -9.142 1.00 3.93 C ATOM 33 O THR A 3 11.461 8.858 -10.157 1.00 3.57 O ATOM 34 CB THR A 3 10.909 9.933 -7.354 1.00 5.39 C ATOM 35 OG1 THR A 3 10.278 8.737 -6.883 1.00 6.16 O ATOM 36 CG2 THR A 3 9.978 10.662 -8.315 1.00 5.37 C ATOM 0 H THR A 3 12.509 11.174 -9.358 1.00 5.73 H new ATOM 0 HA THR A 3 12.898 9.165 -7.229 1.00 5.02 H new ATOM 0 HB THR A 3 11.108 10.597 -6.513 1.00 5.39 H new ATOM 0 HG1 THR A 3 9.776 8.933 -6.064 1.00 6.16 H new ATOM 0 HG21 THR A 3 9.034 10.876 -7.814 1.00 5.37 H new ATOM 0 HG22 THR A 3 10.441 11.596 -8.632 1.00 5.37 H new ATOM 0 HG23 THR A 3 9.792 10.035 -9.187 1.00 5.37 H new ATOM 44 N GLU A 4 12.767 7.446 -9.000 1.00 3.59 N ATOM 45 CA GLU A 4 12.727 6.409 -10.017 1.00 2.75 C ATOM 46 C GLU A 4 11.868 5.249 -9.535 1.00 1.95 C ATOM 47 O GLU A 4 11.851 4.956 -8.342 1.00 2.29 O ATOM 48 CB GLU A 4 14.145 5.940 -10.348 1.00 3.20 C ATOM 49 CG GLU A 4 15.016 7.043 -10.927 1.00 4.01 C ATOM 50 CD GLU A 4 16.410 6.574 -11.283 1.00 4.54 C ATOM 51 OE1 GLU A 4 16.607 6.097 -12.422 1.00 4.73 O ATOM 52 OE2 GLU A 4 17.316 6.698 -10.437 1.00 5.13 O ATOM 0 H GLU A 4 13.338 7.216 -8.186 1.00 3.59 H new ATOM 0 HA GLU A 4 12.284 6.813 -10.927 1.00 2.75 H new ATOM 0 HB2 GLU A 4 14.614 5.552 -9.444 1.00 3.20 H new ATOM 0 HB3 GLU A 4 14.092 5.115 -11.059 1.00 3.20 H new ATOM 0 HG2 GLU A 4 14.536 7.446 -11.819 1.00 4.01 H new ATOM 0 HG3 GLU A 4 15.086 7.858 -10.207 1.00 4.01 H new ATOM 59 N PRO A 5 11.139 4.587 -10.449 1.00 1.30 N ATOM 60 CA PRO A 5 10.252 3.471 -10.102 1.00 1.21 C ATOM 61 C PRO A 5 11.009 2.260 -9.554 1.00 0.86 C ATOM 62 O PRO A 5 11.722 1.572 -10.288 1.00 0.92 O ATOM 63 CB PRO A 5 9.567 3.123 -11.429 1.00 1.76 C ATOM 64 CG PRO A 5 10.480 3.653 -12.481 1.00 1.77 C ATOM 65 CD PRO A 5 11.120 4.876 -11.892 1.00 1.57 C ATOM 0 HA PRO A 5 9.556 3.746 -9.309 1.00 1.21 H new ATOM 0 HB2 PRO A 5 9.428 2.047 -11.532 1.00 1.76 H new ATOM 0 HB3 PRO A 5 8.580 3.580 -11.496 1.00 1.76 H new ATOM 0 HG2 PRO A 5 11.231 2.913 -12.755 1.00 1.77 H new ATOM 0 HG3 PRO A 5 9.929 3.899 -13.389 1.00 1.77 H new ATOM 0 HD2 PRO A 5 12.125 5.032 -12.284 1.00 1.57 H new ATOM 0 HD3 PRO A 5 10.547 5.776 -12.114 1.00 1.57 H new ATOM 73 N PRO A 6 10.877 2.006 -8.245 1.00 0.66 N ATOM 74 CA PRO A 6 11.517 0.874 -7.561 1.00 0.47 C ATOM 75 C PRO A 6 10.888 -0.469 -7.940 1.00 0.48 C ATOM 76 O PRO A 6 10.140 -0.564 -8.914 1.00 0.62 O ATOM 77 CB PRO A 6 11.283 1.198 -6.072 1.00 0.59 C ATOM 78 CG PRO A 6 10.934 2.642 -6.060 1.00 0.87 C ATOM 79 CD PRO A 6 10.121 2.823 -7.293 1.00 0.84 C ATOM 0 HA PRO A 6 12.568 0.765 -7.827 1.00 0.47 H new ATOM 0 HB2 PRO A 6 10.479 0.591 -5.655 1.00 0.59 H new ATOM 0 HB3 PRO A 6 12.174 0.999 -5.477 1.00 0.59 H new ATOM 0 HG2 PRO A 6 10.370 2.909 -5.166 1.00 0.87 H new ATOM 0 HG3 PRO A 6 11.826 3.269 -6.074 1.00 0.87 H new ATOM 0 HD2 PRO A 6 9.097 2.470 -7.168 1.00 0.84 H new ATOM 0 HD3 PRO A 6 10.063 3.867 -7.600 1.00 0.84 H new ATOM 87 N LYS A 7 11.183 -1.502 -7.165 1.00 0.45 N ATOM 88 CA LYS A 7 10.697 -2.836 -7.463 1.00 0.52 C ATOM 89 C LYS A 7 10.376 -3.544 -6.170 1.00 0.42 C ATOM 90 O LYS A 7 11.233 -4.195 -5.573 1.00 0.42 O ATOM 91 CB LYS A 7 11.741 -3.634 -8.241 1.00 0.65 C ATOM 92 CG LYS A 7 11.156 -4.763 -9.080 1.00 1.24 C ATOM 93 CD LYS A 7 10.125 -4.248 -10.075 1.00 1.37 C ATOM 94 CE LYS A 7 10.684 -3.112 -10.918 1.00 1.70 C ATOM 95 NZ LYS A 7 9.666 -2.555 -11.847 1.00 2.49 N ATOM 0 H LYS A 7 11.758 -1.439 -6.325 1.00 0.45 H new ATOM 0 HA LYS A 7 9.801 -2.756 -8.078 1.00 0.52 H new ATOM 0 HB2 LYS A 7 12.290 -2.956 -8.894 1.00 0.65 H new ATOM 0 HB3 LYS A 7 12.462 -4.052 -7.539 1.00 0.65 H new ATOM 0 HG2 LYS A 7 11.957 -5.271 -9.616 1.00 1.24 H new ATOM 0 HG3 LYS A 7 10.693 -5.501 -8.425 1.00 1.24 H new ATOM 0 HD2 LYS A 7 9.807 -5.063 -10.725 1.00 1.37 H new ATOM 0 HD3 LYS A 7 9.241 -3.904 -9.539 1.00 1.37 H new ATOM 0 HE2 LYS A 7 11.049 -2.321 -10.263 1.00 1.70 H new ATOM 0 HE3 LYS A 7 11.539 -3.472 -11.490 1.00 1.70 H new ATOM 0 HZ1 LYS A 7 10.088 -1.784 -12.402 1.00 2.49 H new ATOM 0 HZ2 LYS A 7 9.336 -3.303 -12.489 1.00 2.49 H new ATOM 0 HZ3 LYS A 7 8.861 -2.188 -11.300 1.00 2.49 H new ATOM 109 N ILE A 8 9.155 -3.380 -5.717 1.00 0.41 N ATOM 110 CA ILE A 8 8.759 -3.914 -4.437 1.00 0.34 C ATOM 111 C ILE A 8 8.363 -5.383 -4.564 1.00 0.36 C ATOM 112 O ILE A 8 7.599 -5.768 -5.453 1.00 0.48 O ATOM 113 CB ILE A 8 7.624 -3.083 -3.797 1.00 0.45 C ATOM 114 CG1 ILE A 8 8.157 -1.745 -3.277 1.00 0.72 C ATOM 115 CG2 ILE A 8 6.995 -3.846 -2.654 1.00 0.36 C ATOM 116 CD1 ILE A 8 8.564 -0.755 -4.339 1.00 0.39 C ATOM 0 H ILE A 8 8.419 -2.881 -6.217 1.00 0.41 H new ATOM 0 HA ILE A 8 9.620 -3.849 -3.771 1.00 0.34 H new ATOM 0 HB ILE A 8 6.874 -2.893 -4.565 1.00 0.45 H new ATOM 0 HG12 ILE A 8 7.391 -1.287 -2.651 1.00 0.72 H new ATOM 0 HG13 ILE A 8 9.017 -1.940 -2.637 1.00 0.72 H new ATOM 0 HG21 ILE A 8 6.197 -3.248 -2.213 1.00 0.36 H new ATOM 0 HG22 ILE A 8 6.583 -4.784 -3.026 1.00 0.36 H new ATOM 0 HG23 ILE A 8 7.751 -4.057 -1.898 1.00 0.36 H new ATOM 0 HD11 ILE A 8 8.926 0.158 -3.866 1.00 0.39 H new ATOM 0 HD12 ILE A 8 9.356 -1.185 -4.953 1.00 0.39 H new ATOM 0 HD13 ILE A 8 7.704 -0.521 -4.967 1.00 0.39 H new ATOM 128 N VAL A 9 8.911 -6.187 -3.671 1.00 0.31 N ATOM 129 CA VAL A 9 8.760 -7.626 -3.709 1.00 0.36 C ATOM 130 C VAL A 9 7.709 -8.082 -2.714 1.00 0.34 C ATOM 131 O VAL A 9 7.721 -7.679 -1.550 1.00 0.47 O ATOM 132 CB VAL A 9 10.097 -8.313 -3.379 1.00 0.41 C ATOM 133 CG1 VAL A 9 10.028 -9.808 -3.635 1.00 0.89 C ATOM 134 CG2 VAL A 9 11.221 -7.671 -4.170 1.00 0.86 C ATOM 0 H VAL A 9 9.479 -5.854 -2.892 1.00 0.31 H new ATOM 0 HA VAL A 9 8.445 -7.904 -4.715 1.00 0.36 H new ATOM 0 HB VAL A 9 10.300 -8.178 -2.317 1.00 0.41 H new ATOM 0 HG11 VAL A 9 10.988 -10.263 -3.392 1.00 0.89 H new ATOM 0 HG12 VAL A 9 9.250 -10.248 -3.012 1.00 0.89 H new ATOM 0 HG13 VAL A 9 9.797 -9.987 -4.685 1.00 0.89 H new ATOM 0 HG21 VAL A 9 12.163 -8.164 -3.930 1.00 0.86 H new ATOM 0 HG22 VAL A 9 11.020 -7.773 -5.236 1.00 0.86 H new ATOM 0 HG23 VAL A 9 11.289 -6.614 -3.913 1.00 0.86 H new ATOM 144 N TRP A 10 6.799 -8.909 -3.180 1.00 0.33 N ATOM 145 CA TRP A 10 5.771 -9.461 -2.328 1.00 0.31 C ATOM 146 C TRP A 10 6.317 -10.629 -1.515 1.00 0.34 C ATOM 147 O TRP A 10 6.876 -11.579 -2.062 1.00 0.42 O ATOM 148 CB TRP A 10 4.576 -9.911 -3.171 1.00 0.38 C ATOM 149 CG TRP A 10 3.490 -10.567 -2.369 1.00 0.41 C ATOM 150 CD1 TRP A 10 3.181 -10.330 -1.060 1.00 0.40 C ATOM 151 CD2 TRP A 10 2.565 -11.560 -2.823 1.00 0.50 C ATOM 152 NE1 TRP A 10 2.146 -11.132 -0.663 1.00 0.46 N ATOM 153 CE2 TRP A 10 1.738 -11.888 -1.730 1.00 0.52 C ATOM 154 CE3 TRP A 10 2.356 -12.207 -4.044 1.00 0.60 C ATOM 155 CZ2 TRP A 10 0.722 -12.836 -1.825 1.00 0.62 C ATOM 156 CZ3 TRP A 10 1.344 -13.143 -4.136 1.00 0.71 C ATOM 157 CH2 TRP A 10 0.538 -13.449 -3.032 1.00 0.72 C ATOM 0 H TRP A 10 6.751 -9.215 -4.152 1.00 0.33 H new ATOM 0 HA TRP A 10 5.441 -8.687 -1.635 1.00 0.31 H new ATOM 0 HB2 TRP A 10 4.162 -9.047 -3.690 1.00 0.38 H new ATOM 0 HB3 TRP A 10 4.922 -10.606 -3.936 1.00 0.38 H new ATOM 0 HD1 TRP A 10 3.682 -9.612 -0.428 1.00 0.40 H new ATOM 0 HE1 TRP A 10 1.744 -11.162 0.274 1.00 0.46 H new ATOM 0 HE3 TRP A 10 2.974 -11.979 -4.900 1.00 0.60 H new ATOM 0 HZ2 TRP A 10 0.102 -13.078 -0.975 1.00 0.62 H new ATOM 0 HZ3 TRP A 10 1.171 -13.647 -5.075 1.00 0.71 H new ATOM 0 HH2 TRP A 10 -0.245 -14.185 -3.137 1.00 0.72 H new ATOM 168 N ASN A 11 6.167 -10.533 -0.204 1.00 0.34 N ATOM 169 CA ASN A 11 6.482 -11.632 0.687 1.00 0.43 C ATOM 170 C ASN A 11 5.183 -12.314 1.099 1.00 0.45 C ATOM 171 O ASN A 11 4.467 -11.824 1.973 1.00 0.46 O ATOM 172 CB ASN A 11 7.230 -11.145 1.927 1.00 0.47 C ATOM 173 CG ASN A 11 7.758 -12.296 2.772 1.00 0.63 C ATOM 174 OD1 ASN A 11 7.157 -13.369 2.842 1.00 1.39 O ATOM 175 ND2 ASN A 11 8.883 -12.081 3.424 1.00 1.08 N ATOM 0 H ASN A 11 5.826 -9.696 0.268 1.00 0.34 H new ATOM 0 HA ASN A 11 7.130 -12.336 0.165 1.00 0.43 H new ATOM 0 HB2 ASN A 11 8.062 -10.510 1.621 1.00 0.47 H new ATOM 0 HB3 ASN A 11 6.564 -10.529 2.532 1.00 0.47 H new ATOM 0 HD21 ASN A 11 9.282 -12.815 4.009 1.00 1.08 H new ATOM 0 HD22 ASN A 11 9.355 -11.180 3.344 1.00 1.08 H new ATOM 182 N GLU A 12 4.875 -13.423 0.446 1.00 0.53 N ATOM 183 CA GLU A 12 3.625 -14.143 0.678 1.00 0.59 C ATOM 184 C GLU A 12 3.564 -14.707 2.095 1.00 0.62 C ATOM 185 O GLU A 12 2.491 -14.790 2.699 1.00 0.65 O ATOM 186 CB GLU A 12 3.484 -15.289 -0.320 1.00 0.76 C ATOM 187 CG GLU A 12 3.650 -14.869 -1.770 1.00 1.09 C ATOM 188 CD GLU A 12 3.606 -16.044 -2.724 1.00 1.43 C ATOM 189 OE1 GLU A 12 2.502 -16.414 -3.173 1.00 1.71 O ATOM 190 OE2 GLU A 12 4.682 -16.610 -3.023 1.00 1.92 O ATOM 0 H GLU A 12 5.478 -13.851 -0.257 1.00 0.53 H new ATOM 0 HA GLU A 12 2.808 -13.434 0.547 1.00 0.59 H new ATOM 0 HB2 GLU A 12 4.225 -16.054 -0.087 1.00 0.76 H new ATOM 0 HB3 GLU A 12 2.503 -15.747 -0.195 1.00 0.76 H new ATOM 0 HG2 GLU A 12 2.862 -14.163 -2.032 1.00 1.09 H new ATOM 0 HG3 GLU A 12 4.599 -14.346 -1.887 1.00 1.09 H new ATOM 197 N GLY A 13 4.724 -15.083 2.620 1.00 0.65 N ATOM 198 CA GLY A 13 4.792 -15.699 3.931 1.00 0.73 C ATOM 199 C GLY A 13 4.494 -14.722 5.046 1.00 0.70 C ATOM 200 O GLY A 13 3.971 -15.104 6.092 1.00 0.80 O ATOM 0 H GLY A 13 5.626 -14.971 2.156 1.00 0.65 H new ATOM 0 HA2 GLY A 13 4.083 -16.526 3.978 1.00 0.73 H new ATOM 0 HA3 GLY A 13 5.786 -16.122 4.079 1.00 0.73 H new ATOM 204 N LYS A 14 4.821 -13.456 4.821 1.00 0.59 N ATOM 205 CA LYS A 14 4.590 -12.424 5.824 1.00 0.59 C ATOM 206 C LYS A 14 3.336 -11.633 5.497 1.00 0.51 C ATOM 207 O LYS A 14 2.857 -10.852 6.318 1.00 0.55 O ATOM 208 CB LYS A 14 5.789 -11.475 5.912 1.00 0.61 C ATOM 209 CG LYS A 14 7.113 -12.167 6.195 1.00 0.86 C ATOM 210 CD LYS A 14 7.050 -13.026 7.445 1.00 1.21 C ATOM 211 CE LYS A 14 8.400 -13.656 7.744 1.00 1.26 C ATOM 212 NZ LYS A 14 9.414 -12.634 8.111 1.00 1.79 N ATOM 0 H LYS A 14 5.245 -13.120 3.957 1.00 0.59 H new ATOM 0 HA LYS A 14 4.459 -12.917 6.787 1.00 0.59 H new ATOM 0 HB2 LYS A 14 5.872 -10.925 4.974 1.00 0.61 H new ATOM 0 HB3 LYS A 14 5.601 -10.741 6.696 1.00 0.61 H new ATOM 0 HG2 LYS A 14 7.387 -12.788 5.342 1.00 0.86 H new ATOM 0 HG3 LYS A 14 7.897 -11.418 6.309 1.00 0.86 H new ATOM 0 HD2 LYS A 14 6.733 -12.418 8.292 1.00 1.21 H new ATOM 0 HD3 LYS A 14 6.301 -13.807 7.316 1.00 1.21 H new ATOM 0 HE2 LYS A 14 8.295 -14.373 8.558 1.00 1.26 H new ATOM 0 HE3 LYS A 14 8.743 -14.212 6.872 1.00 1.26 H new ATOM 0 HZ1 LYS A 14 10.234 -13.100 8.548 1.00 1.79 H new ATOM 0 HZ2 LYS A 14 9.720 -12.126 7.257 1.00 1.79 H new ATOM 0 HZ3 LYS A 14 8.999 -11.960 8.785 1.00 1.79 H new ATOM 226 N ARG A 15 2.801 -11.867 4.299 1.00 0.45 N ATOM 227 CA ARG A 15 1.690 -11.084 3.770 1.00 0.44 C ATOM 228 C ARG A 15 2.082 -9.614 3.727 1.00 0.37 C ATOM 229 O ARG A 15 1.439 -8.765 4.345 1.00 0.52 O ATOM 230 CB ARG A 15 0.423 -11.264 4.611 1.00 0.56 C ATOM 231 CG ARG A 15 -0.003 -12.710 4.788 1.00 0.66 C ATOM 232 CD ARG A 15 -1.254 -12.816 5.642 1.00 0.87 C ATOM 233 NE ARG A 15 -1.096 -12.127 6.921 1.00 1.83 N ATOM 234 CZ ARG A 15 -2.078 -11.928 7.794 1.00 2.36 C ATOM 235 NH1 ARG A 15 -3.306 -12.364 7.536 1.00 2.32 N ATOM 236 NH2 ARG A 15 -1.830 -11.264 8.916 1.00 3.42 N ATOM 0 H ARG A 15 3.126 -12.603 3.671 1.00 0.45 H new ATOM 0 HA ARG A 15 1.471 -11.439 2.763 1.00 0.44 H new ATOM 0 HB2 ARG A 15 0.586 -10.822 5.594 1.00 0.56 H new ATOM 0 HB3 ARG A 15 -0.392 -10.711 4.144 1.00 0.56 H new ATOM 0 HG2 ARG A 15 -0.187 -13.159 3.812 1.00 0.66 H new ATOM 0 HG3 ARG A 15 0.805 -13.275 5.252 1.00 0.66 H new ATOM 0 HD2 ARG A 15 -2.100 -12.391 5.102 1.00 0.87 H new ATOM 0 HD3 ARG A 15 -1.485 -13.866 5.821 1.00 0.87 H new ATOM 0 HE ARG A 15 -0.169 -11.775 7.160 1.00 1.83 H new ATOM 0 HH11 ARG A 15 -3.500 -12.855 6.663 1.00 2.32 H new ATOM 0 HH12 ARG A 15 -4.055 -12.208 8.211 1.00 2.32 H new ATOM 0 HH21 ARG A 15 -0.891 -10.911 9.103 1.00 3.42 H new ATOM 0 HH22 ARG A 15 -2.578 -11.107 9.591 1.00 3.42 H new ATOM 250 N ARG A 16 3.154 -9.323 3.005 1.00 0.27 N ATOM 251 CA ARG A 16 3.673 -7.966 2.941 1.00 0.24 C ATOM 252 C ARG A 16 4.368 -7.689 1.615 1.00 0.23 C ATOM 253 O ARG A 16 4.631 -8.599 0.837 1.00 0.29 O ATOM 254 CB ARG A 16 4.671 -7.753 4.068 1.00 0.33 C ATOM 255 CG ARG A 16 5.949 -8.542 3.885 1.00 0.55 C ATOM 256 CD ARG A 16 7.055 -8.059 4.797 1.00 0.68 C ATOM 257 NE ARG A 16 6.571 -7.607 6.098 1.00 0.91 N ATOM 258 CZ ARG A 16 7.324 -6.935 6.963 1.00 1.02 C ATOM 259 NH1 ARG A 16 8.578 -6.619 6.651 1.00 1.02 N ATOM 260 NH2 ARG A 16 6.821 -6.562 8.132 1.00 1.86 N ATOM 0 H ARG A 16 3.679 -10.005 2.458 1.00 0.27 H new ATOM 0 HA ARG A 16 2.829 -7.283 3.037 1.00 0.24 H new ATOM 0 HB2 ARG A 16 4.912 -6.692 4.136 1.00 0.33 H new ATOM 0 HB3 ARG A 16 4.208 -8.036 5.014 1.00 0.33 H new ATOM 0 HG2 ARG A 16 5.754 -9.596 4.080 1.00 0.55 H new ATOM 0 HG3 ARG A 16 6.276 -8.465 2.848 1.00 0.55 H new ATOM 0 HD2 ARG A 16 7.774 -8.865 4.944 1.00 0.68 H new ATOM 0 HD3 ARG A 16 7.587 -7.242 4.311 1.00 0.68 H new ATOM 0 HE ARG A 16 5.607 -7.817 6.356 1.00 0.91 H new ATOM 0 HH11 ARG A 16 8.963 -6.892 5.747 1.00 1.02 H new ATOM 0 HH12 ARG A 16 9.154 -6.103 7.316 1.00 1.02 H new ATOM 0 HH21 ARG A 16 5.855 -6.791 8.368 1.00 1.86 H new ATOM 0 HH22 ARG A 16 7.400 -6.046 8.795 1.00 1.86 H new ATOM 274 N PHE A 17 4.680 -6.425 1.385 1.00 0.23 N ATOM 275 CA PHE A 17 5.458 -6.011 0.228 1.00 0.24 C ATOM 276 C PHE A 17 6.690 -5.255 0.703 1.00 0.30 C ATOM 277 O PHE A 17 6.583 -4.359 1.531 1.00 0.55 O ATOM 278 CB PHE A 17 4.633 -5.110 -0.698 1.00 0.28 C ATOM 279 CG PHE A 17 3.297 -5.676 -1.080 1.00 0.29 C ATOM 280 CD1 PHE A 17 3.216 -6.775 -1.919 1.00 0.33 C ATOM 281 CD2 PHE A 17 2.127 -5.114 -0.602 1.00 0.34 C ATOM 282 CE1 PHE A 17 1.991 -7.298 -2.278 1.00 0.39 C ATOM 283 CE2 PHE A 17 0.898 -5.634 -0.958 1.00 0.40 C ATOM 284 CZ PHE A 17 0.822 -6.719 -1.779 1.00 0.41 C ATOM 0 H PHE A 17 4.401 -5.656 1.995 1.00 0.23 H new ATOM 0 HA PHE A 17 5.751 -6.900 -0.331 1.00 0.24 H new ATOM 0 HB2 PHE A 17 4.481 -4.148 -0.209 1.00 0.28 H new ATOM 0 HB3 PHE A 17 5.206 -4.919 -1.605 1.00 0.28 H new ATOM 0 HD1 PHE A 17 4.121 -7.227 -2.296 1.00 0.33 H new ATOM 0 HD2 PHE A 17 2.175 -4.259 0.057 1.00 0.34 H new ATOM 0 HE1 PHE A 17 1.936 -8.149 -2.940 1.00 0.39 H new ATOM 0 HE2 PHE A 17 -0.007 -5.179 -0.584 1.00 0.40 H new ATOM 0 HZ PHE A 17 -0.141 -7.131 -2.043 1.00 0.41 H new ATOM 294 N GLU A 18 7.848 -5.621 0.189 1.00 0.22 N ATOM 295 CA GLU A 18 9.106 -5.016 0.608 1.00 0.25 C ATOM 296 C GLU A 18 9.837 -4.455 -0.595 1.00 0.29 C ATOM 297 O GLU A 18 10.008 -5.147 -1.590 1.00 0.39 O ATOM 298 CB GLU A 18 9.949 -6.075 1.319 1.00 0.34 C ATOM 299 CG GLU A 18 10.656 -5.563 2.562 1.00 1.08 C ATOM 300 CD GLU A 18 11.034 -6.681 3.513 1.00 0.96 C ATOM 301 OE1 GLU A 18 12.126 -7.257 3.354 1.00 0.85 O ATOM 302 OE2 GLU A 18 10.232 -7.001 4.417 1.00 1.16 O ATOM 0 H GLU A 18 7.948 -6.341 -0.527 1.00 0.22 H new ATOM 0 HA GLU A 18 8.916 -4.192 1.296 1.00 0.25 H new ATOM 0 HB2 GLU A 18 9.307 -6.911 1.596 1.00 0.34 H new ATOM 0 HB3 GLU A 18 10.693 -6.462 0.622 1.00 0.34 H new ATOM 0 HG2 GLU A 18 11.554 -5.020 2.268 1.00 1.08 H new ATOM 0 HG3 GLU A 18 10.009 -4.853 3.078 1.00 1.08 H new ATOM 309 N THR A 19 10.268 -3.203 -0.498 1.00 0.25 N ATOM 310 CA THR A 19 10.880 -2.511 -1.618 1.00 0.29 C ATOM 311 C THR A 19 12.132 -3.242 -2.090 1.00 0.35 C ATOM 312 O THR A 19 12.616 -4.166 -1.433 1.00 0.37 O ATOM 313 CB THR A 19 11.226 -1.047 -1.240 1.00 0.33 C ATOM 314 OG1 THR A 19 11.565 -0.292 -2.410 1.00 0.46 O ATOM 315 CG2 THR A 19 12.382 -0.992 -0.251 1.00 0.37 C ATOM 0 H THR A 19 10.203 -2.645 0.354 1.00 0.25 H new ATOM 0 HA THR A 19 10.159 -2.497 -2.435 1.00 0.29 H new ATOM 0 HB THR A 19 10.343 -0.612 -0.771 1.00 0.33 H new ATOM 0 HG1 THR A 19 12.515 -0.418 -2.617 1.00 0.46 H new ATOM 0 HG21 THR A 19 12.601 0.047 -0.005 1.00 0.37 H new ATOM 0 HG22 THR A 19 12.110 -1.530 0.657 1.00 0.37 H new ATOM 0 HG23 THR A 19 13.264 -1.453 -0.696 1.00 0.37 H new ATOM 323 N GLU A 20 12.657 -2.800 -3.219 1.00 0.43 N ATOM 324 CA GLU A 20 13.810 -3.428 -3.859 1.00 0.53 C ATOM 325 C GLU A 20 15.017 -3.520 -2.936 1.00 0.56 C ATOM 326 O GLU A 20 15.973 -4.239 -3.219 1.00 0.68 O ATOM 327 CB GLU A 20 14.178 -2.655 -5.129 1.00 0.62 C ATOM 328 CG GLU A 20 13.950 -1.144 -5.044 1.00 0.77 C ATOM 329 CD GLU A 20 14.725 -0.470 -3.925 1.00 1.31 C ATOM 330 OE1 GLU A 20 15.930 -0.220 -4.099 1.00 1.83 O ATOM 331 OE2 GLU A 20 14.122 -0.182 -2.867 1.00 1.90 O ATOM 0 H GLU A 20 12.297 -1.991 -3.724 1.00 0.43 H new ATOM 0 HA GLU A 20 13.525 -4.450 -4.111 1.00 0.53 H new ATOM 0 HB2 GLU A 20 15.228 -2.838 -5.359 1.00 0.62 H new ATOM 0 HB3 GLU A 20 13.596 -3.051 -5.961 1.00 0.62 H new ATOM 0 HG2 GLU A 20 14.232 -0.689 -5.994 1.00 0.77 H new ATOM 0 HG3 GLU A 20 12.886 -0.954 -4.903 1.00 0.77 H new ATOM 338 N ASP A 21 14.966 -2.803 -1.837 1.00 0.52 N ATOM 339 CA ASP A 21 16.100 -2.753 -0.929 1.00 0.60 C ATOM 340 C ASP A 21 15.744 -3.406 0.402 1.00 0.54 C ATOM 341 O ASP A 21 16.602 -3.607 1.259 1.00 0.59 O ATOM 342 CB ASP A 21 16.558 -1.310 -0.720 1.00 0.67 C ATOM 343 CG ASP A 21 18.011 -1.220 -0.272 1.00 0.97 C ATOM 344 OD1 ASP A 21 18.275 -1.401 0.934 1.00 1.31 O ATOM 345 OD2 ASP A 21 18.896 -0.958 -1.110 1.00 1.39 O ATOM 0 H ASP A 21 14.160 -2.249 -1.547 1.00 0.52 H new ATOM 0 HA ASP A 21 16.925 -3.309 -1.374 1.00 0.60 H new ATOM 0 HB2 ASP A 21 16.432 -0.754 -1.649 1.00 0.67 H new ATOM 0 HB3 ASP A 21 15.921 -0.834 0.025 1.00 0.67 H new ATOM 350 N HIS A 22 14.458 -3.729 0.562 1.00 0.45 N ATOM 351 CA HIS A 22 13.943 -4.361 1.777 1.00 0.45 C ATOM 352 C HIS A 22 13.973 -3.400 2.961 1.00 0.44 C ATOM 353 O HIS A 22 13.719 -3.796 4.099 1.00 0.51 O ATOM 354 CB HIS A 22 14.710 -5.652 2.097 1.00 0.57 C ATOM 355 CG HIS A 22 14.498 -6.737 1.084 1.00 0.64 C ATOM 356 ND1 HIS A 22 13.539 -7.714 1.226 1.00 0.65 N ATOM 357 CD2 HIS A 22 15.117 -6.992 -0.093 1.00 0.74 C ATOM 358 CE1 HIS A 22 13.575 -8.523 0.186 1.00 0.76 C ATOM 359 NE2 HIS A 22 14.523 -8.108 -0.630 1.00 0.82 N ATOM 0 H HIS A 22 13.745 -3.559 -0.148 1.00 0.45 H new ATOM 0 HA HIS A 22 12.902 -4.625 1.593 1.00 0.45 H new ATOM 0 HB2 HIS A 22 15.775 -5.427 2.160 1.00 0.57 H new ATOM 0 HB3 HIS A 22 14.402 -6.015 3.077 1.00 0.57 H new ATOM 0 HD1 HIS A 22 12.898 -7.799 2.015 1.00 0.65 H new ATOM 0 HD2 HIS A 22 15.926 -6.424 -0.528 1.00 0.74 H new ATOM 0 HE1 HIS A 22 12.936 -9.380 0.029 1.00 0.76 H new ATOM 368 N GLU A 23 14.282 -2.136 2.682 1.00 0.47 N ATOM 369 CA GLU A 23 14.221 -1.084 3.691 1.00 0.52 C ATOM 370 C GLU A 23 12.776 -0.795 4.031 1.00 0.40 C ATOM 371 O GLU A 23 12.325 -0.968 5.162 1.00 0.49 O ATOM 372 CB GLU A 23 14.830 0.209 3.161 1.00 0.69 C ATOM 373 CG GLU A 23 16.227 0.080 2.616 1.00 0.84 C ATOM 374 CD GLU A 23 16.634 1.323 1.858 1.00 1.51 C ATOM 375 OE1 GLU A 23 15.956 1.664 0.860 1.00 2.28 O ATOM 376 OE2 GLU A 23 17.606 1.981 2.277 1.00 1.72 O ATOM 0 H GLU A 23 14.579 -1.815 1.760 1.00 0.47 H new ATOM 0 HA GLU A 23 14.773 -1.426 4.566 1.00 0.52 H new ATOM 0 HB2 GLU A 23 14.185 0.601 2.375 1.00 0.69 H new ATOM 0 HB3 GLU A 23 14.837 0.945 3.965 1.00 0.69 H new ATOM 0 HG2 GLU A 23 16.925 -0.095 3.435 1.00 0.84 H new ATOM 0 HG3 GLU A 23 16.285 -0.786 1.957 1.00 0.84 H new ATOM 383 N ALA A 24 12.069 -0.336 3.015 1.00 0.29 N ATOM 384 CA ALA A 24 10.686 0.050 3.143 1.00 0.22 C ATOM 385 C ALA A 24 9.787 -1.126 2.839 1.00 0.17 C ATOM 386 O ALA A 24 10.116 -1.967 1.998 1.00 0.19 O ATOM 387 CB ALA A 24 10.382 1.201 2.205 1.00 0.26 C ATOM 0 H ALA A 24 12.445 -0.222 2.074 1.00 0.29 H new ATOM 0 HA ALA A 24 10.501 0.373 4.168 1.00 0.22 H new ATOM 0 HB1 ALA A 24 9.335 1.487 2.307 1.00 0.26 H new ATOM 0 HB2 ALA A 24 11.017 2.051 2.455 1.00 0.26 H new ATOM 0 HB3 ALA A 24 10.575 0.894 1.177 1.00 0.26 H new ATOM 393 N PHE A 25 8.657 -1.177 3.511 1.00 0.14 N ATOM 394 CA PHE A 25 7.751 -2.294 3.370 1.00 0.15 C ATOM 395 C PHE A 25 6.340 -1.910 3.785 1.00 0.15 C ATOM 396 O PHE A 25 6.133 -0.928 4.502 1.00 0.17 O ATOM 397 CB PHE A 25 8.242 -3.479 4.206 1.00 0.23 C ATOM 398 CG PHE A 25 8.448 -3.154 5.663 1.00 0.30 C ATOM 399 CD1 PHE A 25 7.401 -3.253 6.564 1.00 0.39 C ATOM 400 CD2 PHE A 25 9.693 -2.758 6.129 1.00 0.37 C ATOM 401 CE1 PHE A 25 7.590 -2.966 7.901 1.00 0.49 C ATOM 402 CE2 PHE A 25 9.887 -2.469 7.465 1.00 0.47 C ATOM 403 CZ PHE A 25 8.824 -2.538 8.347 1.00 0.52 C ATOM 0 H PHE A 25 8.344 -0.456 4.161 1.00 0.14 H new ATOM 0 HA PHE A 25 7.729 -2.582 2.319 1.00 0.15 H new ATOM 0 HB2 PHE A 25 7.521 -4.293 4.124 1.00 0.23 H new ATOM 0 HB3 PHE A 25 9.181 -3.842 3.788 1.00 0.23 H new ATOM 0 HD1 PHE A 25 6.425 -3.558 6.217 1.00 0.39 H new ATOM 0 HD2 PHE A 25 10.520 -2.675 5.439 1.00 0.37 H new ATOM 0 HE1 PHE A 25 6.772 -3.076 8.598 1.00 0.49 H new ATOM 0 HE2 PHE A 25 10.868 -2.189 7.821 1.00 0.47 H new ATOM 0 HZ PHE A 25 8.959 -2.258 9.381 1.00 0.52 H new ATOM 413 N ILE A 26 5.384 -2.685 3.308 1.00 0.20 N ATOM 414 CA ILE A 26 4.001 -2.557 3.720 1.00 0.23 C ATOM 415 C ILE A 26 3.478 -3.921 4.132 1.00 0.23 C ATOM 416 O ILE A 26 3.758 -4.921 3.471 1.00 0.26 O ATOM 417 CB ILE A 26 3.114 -1.943 2.603 1.00 0.31 C ATOM 418 CG1 ILE A 26 2.586 -0.591 3.075 1.00 0.41 C ATOM 419 CG2 ILE A 26 1.954 -2.861 2.205 1.00 0.39 C ATOM 420 CD1 ILE A 26 1.567 0.026 2.145 1.00 0.73 C ATOM 0 H ILE A 26 5.546 -3.422 2.622 1.00 0.20 H new ATOM 0 HA ILE A 26 3.956 -1.873 4.567 1.00 0.23 H new ATOM 0 HB ILE A 26 3.730 -1.817 1.713 1.00 0.31 H new ATOM 0 HG12 ILE A 26 2.138 -0.711 4.061 1.00 0.41 H new ATOM 0 HG13 ILE A 26 3.424 0.097 3.187 1.00 0.41 H new ATOM 0 HG21 ILE A 26 1.365 -2.384 1.421 1.00 0.39 H new ATOM 0 HG22 ILE A 26 2.349 -3.808 1.837 1.00 0.39 H new ATOM 0 HG23 ILE A 26 1.321 -3.045 3.073 1.00 0.39 H new ATOM 0 HD11 ILE A 26 1.239 0.984 2.548 1.00 0.73 H new ATOM 0 HD12 ILE A 26 2.016 0.180 1.164 1.00 0.73 H new ATOM 0 HD13 ILE A 26 0.709 -0.640 2.051 1.00 0.73 H new ATOM 432 N GLU A 27 2.755 -3.961 5.232 1.00 0.22 N ATOM 433 CA GLU A 27 2.176 -5.203 5.710 1.00 0.23 C ATOM 434 C GLU A 27 0.706 -5.234 5.298 1.00 0.22 C ATOM 435 O GLU A 27 0.150 -4.194 4.935 1.00 0.27 O ATOM 436 CB GLU A 27 2.322 -5.277 7.236 1.00 0.26 C ATOM 437 CG GLU A 27 2.256 -6.683 7.811 1.00 0.65 C ATOM 438 CD GLU A 27 3.627 -7.316 7.944 1.00 1.14 C ATOM 439 OE1 GLU A 27 4.308 -7.060 8.963 1.00 1.23 O ATOM 440 OE2 GLU A 27 4.039 -8.067 7.042 1.00 1.65 O ATOM 0 H GLU A 27 2.553 -3.148 5.814 1.00 0.22 H new ATOM 0 HA GLU A 27 2.688 -6.063 5.278 1.00 0.23 H new ATOM 0 HB2 GLU A 27 3.274 -4.827 7.519 1.00 0.26 H new ATOM 0 HB3 GLU A 27 1.537 -4.675 7.693 1.00 0.26 H new ATOM 0 HG2 GLU A 27 1.777 -6.651 8.790 1.00 0.65 H new ATOM 0 HG3 GLU A 27 1.631 -7.306 7.171 1.00 0.65 H new ATOM 447 N TYR A 28 0.072 -6.397 5.327 1.00 0.23 N ATOM 448 CA TYR A 28 -1.342 -6.464 5.003 1.00 0.22 C ATOM 449 C TYR A 28 -1.966 -7.739 5.554 1.00 0.28 C ATOM 450 O TYR A 28 -1.268 -8.622 6.058 1.00 0.45 O ATOM 451 CB TYR A 28 -1.578 -6.354 3.477 1.00 0.29 C ATOM 452 CG TYR A 28 -1.274 -7.610 2.681 1.00 0.35 C ATOM 453 CD1 TYR A 28 -2.133 -8.699 2.709 1.00 0.44 C ATOM 454 CD2 TYR A 28 -0.123 -7.707 1.905 1.00 0.40 C ATOM 455 CE1 TYR A 28 -1.855 -9.843 1.983 1.00 0.56 C ATOM 456 CE2 TYR A 28 0.159 -8.842 1.179 1.00 0.50 C ATOM 457 CZ TYR A 28 -0.730 -9.915 1.226 1.00 0.60 C ATOM 458 OH TYR A 28 -0.429 -11.034 0.488 1.00 0.70 O ATOM 0 H TYR A 28 0.505 -7.289 5.567 1.00 0.23 H new ATOM 0 HA TYR A 28 -1.829 -5.612 5.477 1.00 0.22 H new ATOM 0 HB2 TYR A 28 -2.619 -6.078 3.306 1.00 0.29 H new ATOM 0 HB3 TYR A 28 -0.965 -5.541 3.089 1.00 0.29 H new ATOM 0 HD1 TYR A 28 -3.032 -8.653 3.306 1.00 0.44 H new ATOM 0 HD2 TYR A 28 0.564 -6.874 1.872 1.00 0.40 H new ATOM 0 HE1 TYR A 28 -2.535 -10.682 2.018 1.00 0.56 H new ATOM 0 HE2 TYR A 28 1.057 -8.901 0.581 1.00 0.50 H new ATOM 0 HH TYR A 28 0.187 -10.793 -0.235 1.00 0.70 H new ATOM 468 N LYS A 29 -3.288 -7.812 5.461 1.00 0.24 N ATOM 469 CA LYS A 29 -4.044 -8.982 5.883 1.00 0.32 C ATOM 470 C LYS A 29 -5.420 -8.974 5.220 1.00 0.25 C ATOM 471 O LYS A 29 -6.024 -7.917 5.053 1.00 0.31 O ATOM 472 CB LYS A 29 -4.175 -9.042 7.418 1.00 0.49 C ATOM 473 CG LYS A 29 -4.749 -7.792 8.079 1.00 0.58 C ATOM 474 CD LYS A 29 -3.735 -6.658 8.114 1.00 0.74 C ATOM 475 CE LYS A 29 -3.676 -5.983 9.470 1.00 1.09 C ATOM 476 NZ LYS A 29 -4.972 -5.366 9.848 1.00 1.52 N ATOM 0 H LYS A 29 -3.867 -7.059 5.090 1.00 0.24 H new ATOM 0 HA LYS A 29 -3.503 -9.875 5.568 1.00 0.32 H new ATOM 0 HB2 LYS A 29 -4.806 -9.892 7.678 1.00 0.49 H new ATOM 0 HB3 LYS A 29 -3.190 -9.236 7.842 1.00 0.49 H new ATOM 0 HG2 LYS A 29 -5.638 -7.469 7.537 1.00 0.58 H new ATOM 0 HG3 LYS A 29 -5.064 -8.030 9.095 1.00 0.58 H new ATOM 0 HD2 LYS A 29 -2.749 -7.047 7.861 1.00 0.74 H new ATOM 0 HD3 LYS A 29 -3.991 -5.920 7.354 1.00 0.74 H new ATOM 0 HE2 LYS A 29 -3.390 -6.715 10.226 1.00 1.09 H new ATOM 0 HE3 LYS A 29 -2.901 -5.217 9.459 1.00 1.09 H new ATOM 0 HZ1 LYS A 29 -4.961 -5.129 10.860 1.00 1.52 H new ATOM 0 HZ2 LYS A 29 -5.120 -4.500 9.291 1.00 1.52 H new ATOM 0 HZ3 LYS A 29 -5.744 -6.036 9.658 1.00 1.52 H new ATOM 490 N MET A 30 -5.902 -10.139 4.815 1.00 0.32 N ATOM 491 CA MET A 30 -7.176 -10.222 4.119 1.00 0.27 C ATOM 492 C MET A 30 -8.313 -10.415 5.123 1.00 0.30 C ATOM 493 O MET A 30 -8.434 -11.466 5.756 1.00 0.39 O ATOM 494 CB MET A 30 -7.146 -11.369 3.104 1.00 0.36 C ATOM 495 CG MET A 30 -5.962 -11.296 2.149 1.00 1.00 C ATOM 496 SD MET A 30 -5.946 -12.633 0.934 1.00 1.12 S ATOM 497 CE MET A 30 -7.433 -12.260 0.006 1.00 1.85 C ATOM 0 H MET A 30 -5.434 -11.034 4.955 1.00 0.32 H new ATOM 0 HA MET A 30 -7.349 -9.290 3.581 1.00 0.27 H new ATOM 0 HB2 MET A 30 -7.115 -12.318 3.639 1.00 0.36 H new ATOM 0 HB3 MET A 30 -8.071 -11.359 2.527 1.00 0.36 H new ATOM 0 HG2 MET A 30 -5.983 -10.339 1.627 1.00 1.00 H new ATOM 0 HG3 MET A 30 -5.037 -11.325 2.724 1.00 1.00 H new ATOM 0 HE1 MET A 30 -7.371 -12.719 -0.981 1.00 1.85 H new ATOM 0 HE2 MET A 30 -8.301 -12.654 0.536 1.00 1.85 H new ATOM 0 HE3 MET A 30 -7.533 -11.180 -0.102 1.00 1.85 H new ATOM 507 N ARG A 31 -9.132 -9.385 5.253 1.00 0.29 N ATOM 508 CA ARG A 31 -10.226 -9.352 6.210 1.00 0.39 C ATOM 509 C ARG A 31 -11.520 -9.761 5.541 1.00 0.42 C ATOM 510 O ARG A 31 -11.568 -9.912 4.319 1.00 0.38 O ATOM 511 CB ARG A 31 -10.387 -7.938 6.760 1.00 0.46 C ATOM 512 CG ARG A 31 -9.146 -7.403 7.453 1.00 0.67 C ATOM 513 CD ARG A 31 -9.294 -5.932 7.786 1.00 0.66 C ATOM 514 NE ARG A 31 -10.339 -5.686 8.775 1.00 0.98 N ATOM 515 CZ ARG A 31 -10.356 -4.629 9.582 1.00 1.28 C ATOM 516 NH1 ARG A 31 -9.442 -3.672 9.448 1.00 1.41 N ATOM 517 NH2 ARG A 31 -11.305 -4.519 10.503 1.00 2.03 N ATOM 0 H ARG A 31 -9.055 -8.538 4.690 1.00 0.29 H new ATOM 0 HA ARG A 31 -9.998 -10.045 7.020 1.00 0.39 H new ATOM 0 HB2 ARG A 31 -10.652 -7.268 5.942 1.00 0.46 H new ATOM 0 HB3 ARG A 31 -11.219 -7.925 7.464 1.00 0.46 H new ATOM 0 HG2 ARG A 31 -8.964 -7.969 8.367 1.00 0.67 H new ATOM 0 HG3 ARG A 31 -8.277 -7.547 6.811 1.00 0.67 H new ATOM 0 HD2 ARG A 31 -8.345 -5.551 8.162 1.00 0.66 H new ATOM 0 HD3 ARG A 31 -9.522 -5.378 6.876 1.00 0.66 H new ATOM 0 HE ARG A 31 -11.099 -6.362 8.851 1.00 0.98 H new ATOM 0 HH11 ARG A 31 -8.726 -3.748 8.725 1.00 1.41 H new ATOM 0 HH12 ARG A 31 -9.457 -2.862 10.068 1.00 1.41 H new ATOM 0 HH21 ARG A 31 -12.018 -5.243 10.590 1.00 2.03 H new ATOM 0 HH22 ARG A 31 -11.322 -3.710 11.124 1.00 2.03 H new ATOM 531 N ASN A 32 -12.565 -9.922 6.342 1.00 0.55 N ATOM 532 CA ASN A 32 -13.895 -10.233 5.833 1.00 0.64 C ATOM 533 C ASN A 32 -13.854 -11.535 5.035 1.00 0.65 C ATOM 534 O ASN A 32 -14.410 -11.629 3.942 1.00 0.66 O ATOM 535 CB ASN A 32 -14.404 -9.076 4.960 1.00 0.64 C ATOM 536 CG ASN A 32 -15.911 -9.082 4.782 1.00 0.77 C ATOM 537 OD1 ASN A 32 -16.455 -9.744 3.896 1.00 1.15 O ATOM 538 ND2 ASN A 32 -16.595 -8.317 5.618 1.00 0.99 N ATOM 0 H ASN A 32 -12.516 -9.841 7.358 1.00 0.55 H new ATOM 0 HA ASN A 32 -14.581 -10.362 6.670 1.00 0.64 H new ATOM 0 HB2 ASN A 32 -14.101 -8.130 5.409 1.00 0.64 H new ATOM 0 HB3 ASN A 32 -13.928 -9.131 3.981 1.00 0.64 H new ATOM 0 HD21 ASN A 32 -17.611 -8.260 5.542 1.00 0.99 H new ATOM 0 HD22 ASN A 32 -16.107 -7.785 6.338 1.00 0.99 H new ATOM 545 N ASN A 33 -13.164 -12.532 5.590 1.00 0.73 N ATOM 546 CA ASN A 33 -13.007 -13.838 4.943 1.00 0.83 C ATOM 547 C ASN A 33 -12.180 -13.702 3.659 1.00 0.78 C ATOM 548 O ASN A 33 -12.275 -14.517 2.738 1.00 1.04 O ATOM 549 CB ASN A 33 -14.382 -14.460 4.653 1.00 0.95 C ATOM 550 CG ASN A 33 -14.297 -15.927 4.274 1.00 1.62 C ATOM 551 OD1 ASN A 33 -13.392 -16.640 4.701 1.00 1.82 O ATOM 552 ND2 ASN A 33 -15.249 -16.390 3.483 1.00 2.33 N ATOM 0 H ASN A 33 -12.700 -12.459 6.495 1.00 0.73 H new ATOM 0 HA ASN A 33 -12.472 -14.504 5.620 1.00 0.83 H new ATOM 0 HB2 ASN A 33 -15.017 -14.353 5.533 1.00 0.95 H new ATOM 0 HB3 ASN A 33 -14.862 -13.908 3.845 1.00 0.95 H new ATOM 0 HD21 ASN A 33 -15.249 -17.372 3.206 1.00 2.33 H new ATOM 0 HD22 ASN A 33 -15.983 -15.766 3.149 1.00 2.33 H new ATOM 559 N GLY A 34 -11.360 -12.658 3.615 1.00 0.55 N ATOM 560 CA GLY A 34 -10.468 -12.448 2.491 1.00 0.52 C ATOM 561 C GLY A 34 -11.086 -11.598 1.397 1.00 0.48 C ATOM 562 O GLY A 34 -10.622 -11.610 0.258 1.00 0.62 O ATOM 0 H GLY A 34 -11.298 -11.948 4.345 1.00 0.55 H new ATOM 0 HA2 GLY A 34 -9.554 -11.969 2.843 1.00 0.52 H new ATOM 0 HA3 GLY A 34 -10.182 -13.414 2.075 1.00 0.52 H new ATOM 566 N LYS A 35 -12.132 -10.860 1.739 1.00 0.40 N ATOM 567 CA LYS A 35 -12.766 -9.949 0.793 1.00 0.40 C ATOM 568 C LYS A 35 -12.078 -8.598 0.820 1.00 0.28 C ATOM 569 O LYS A 35 -12.083 -7.864 -0.166 1.00 0.28 O ATOM 570 CB LYS A 35 -14.243 -9.759 1.130 1.00 0.52 C ATOM 571 CG LYS A 35 -15.080 -11.009 0.959 1.00 0.67 C ATOM 572 CD LYS A 35 -15.204 -11.407 -0.502 1.00 0.85 C ATOM 573 CE LYS A 35 -16.178 -12.557 -0.676 1.00 1.14 C ATOM 574 NZ LYS A 35 -17.520 -12.226 -0.126 1.00 1.60 N ATOM 0 H LYS A 35 -12.561 -10.873 2.664 1.00 0.40 H new ATOM 0 HA LYS A 35 -12.678 -10.387 -0.201 1.00 0.40 H new ATOM 0 HB2 LYS A 35 -14.328 -9.415 2.161 1.00 0.52 H new ATOM 0 HB3 LYS A 35 -14.651 -8.971 0.497 1.00 0.52 H new ATOM 0 HG2 LYS A 35 -14.631 -11.827 1.522 1.00 0.67 H new ATOM 0 HG3 LYS A 35 -16.073 -10.842 1.376 1.00 0.67 H new ATOM 0 HD2 LYS A 35 -15.539 -10.551 -1.088 1.00 0.85 H new ATOM 0 HD3 LYS A 35 -14.226 -11.694 -0.888 1.00 0.85 H new ATOM 0 HE2 LYS A 35 -16.268 -12.801 -1.734 1.00 1.14 H new ATOM 0 HE3 LYS A 35 -15.788 -13.444 -0.176 1.00 1.14 H new ATOM 0 HZ1 LYS A 35 -18.256 -12.625 -0.743 1.00 1.60 H new ATOM 0 HZ2 LYS A 35 -17.613 -12.628 0.829 1.00 1.60 H new ATOM 0 HZ3 LYS A 35 -17.631 -11.193 -0.079 1.00 1.60 H new ATOM 588 N VAL A 36 -11.489 -8.278 1.960 1.00 0.25 N ATOM 589 CA VAL A 36 -10.880 -6.980 2.159 1.00 0.19 C ATOM 590 C VAL A 36 -9.377 -7.104 2.368 1.00 0.16 C ATOM 591 O VAL A 36 -8.919 -7.822 3.242 1.00 0.22 O ATOM 592 CB VAL A 36 -11.521 -6.257 3.364 1.00 0.24 C ATOM 593 CG1 VAL A 36 -10.714 -5.031 3.757 1.00 0.31 C ATOM 594 CG2 VAL A 36 -12.954 -5.865 3.043 1.00 0.30 C ATOM 0 H VAL A 36 -11.421 -8.904 2.763 1.00 0.25 H new ATOM 0 HA VAL A 36 -11.055 -6.391 1.259 1.00 0.19 H new ATOM 0 HB VAL A 36 -11.525 -6.945 4.209 1.00 0.24 H new ATOM 0 HG11 VAL A 36 -11.188 -4.541 4.608 1.00 0.31 H new ATOM 0 HG12 VAL A 36 -9.703 -5.333 4.029 1.00 0.31 H new ATOM 0 HG13 VAL A 36 -10.672 -4.338 2.917 1.00 0.31 H new ATOM 0 HG21 VAL A 36 -13.393 -5.356 3.901 1.00 0.30 H new ATOM 0 HG22 VAL A 36 -12.964 -5.197 2.181 1.00 0.30 H new ATOM 0 HG23 VAL A 36 -13.534 -6.760 2.816 1.00 0.30 H new ATOM 604 N MET A 37 -8.621 -6.403 1.555 1.00 0.15 N ATOM 605 CA MET A 37 -7.182 -6.342 1.701 1.00 0.18 C ATOM 606 C MET A 37 -6.830 -5.192 2.614 1.00 0.16 C ATOM 607 O MET A 37 -6.966 -4.032 2.243 1.00 0.17 O ATOM 608 CB MET A 37 -6.525 -6.118 0.344 1.00 0.24 C ATOM 609 CG MET A 37 -5.280 -6.948 0.093 1.00 0.51 C ATOM 610 SD MET A 37 -5.642 -8.698 -0.127 1.00 1.03 S ATOM 611 CE MET A 37 -4.047 -9.298 -0.664 1.00 1.66 C ATOM 0 H MET A 37 -8.985 -5.858 0.773 1.00 0.15 H new ATOM 0 HA MET A 37 -6.824 -7.282 2.120 1.00 0.18 H new ATOM 0 HB2 MET A 37 -7.253 -6.337 -0.437 1.00 0.24 H new ATOM 0 HB3 MET A 37 -6.266 -5.063 0.252 1.00 0.24 H new ATOM 0 HG2 MET A 37 -4.771 -6.572 -0.795 1.00 0.51 H new ATOM 0 HG3 MET A 37 -4.593 -6.826 0.930 1.00 0.51 H new ATOM 0 HE1 MET A 37 -3.892 -10.308 -0.285 1.00 1.66 H new ATOM 0 HE2 MET A 37 -4.011 -9.310 -1.753 1.00 1.66 H new ATOM 0 HE3 MET A 37 -3.264 -8.643 -0.282 1.00 1.66 H new ATOM 621 N ASP A 38 -6.394 -5.506 3.805 1.00 0.17 N ATOM 622 CA ASP A 38 -6.085 -4.482 4.780 1.00 0.18 C ATOM 623 C ASP A 38 -4.635 -4.069 4.647 1.00 0.18 C ATOM 624 O ASP A 38 -3.731 -4.813 5.009 1.00 0.20 O ATOM 625 CB ASP A 38 -6.385 -5.010 6.178 1.00 0.24 C ATOM 626 CG ASP A 38 -6.365 -3.936 7.252 1.00 0.32 C ATOM 627 OD1 ASP A 38 -5.290 -3.674 7.822 1.00 0.97 O ATOM 628 OD2 ASP A 38 -7.439 -3.385 7.568 1.00 0.81 O ATOM 0 H ASP A 38 -6.243 -6.462 4.128 1.00 0.17 H new ATOM 0 HA ASP A 38 -6.703 -3.601 4.604 1.00 0.18 H new ATOM 0 HB2 ASP A 38 -7.364 -5.489 6.174 1.00 0.24 H new ATOM 0 HB3 ASP A 38 -5.655 -5.779 6.431 1.00 0.24 H new ATOM 633 N LEU A 39 -4.431 -2.881 4.104 1.00 0.18 N ATOM 634 CA LEU A 39 -3.099 -2.346 3.883 1.00 0.19 C ATOM 635 C LEU A 39 -2.631 -1.695 5.160 1.00 0.20 C ATOM 636 O LEU A 39 -3.108 -0.626 5.528 1.00 0.28 O ATOM 637 CB LEU A 39 -3.100 -1.326 2.732 1.00 0.20 C ATOM 638 CG LEU A 39 -3.123 -1.898 1.312 1.00 0.19 C ATOM 639 CD1 LEU A 39 -4.135 -3.019 1.159 1.00 0.18 C ATOM 640 CD2 LEU A 39 -3.413 -0.787 0.314 1.00 0.22 C ATOM 0 H LEU A 39 -5.183 -2.261 3.804 1.00 0.18 H new ATOM 0 HA LEU A 39 -2.423 -3.154 3.604 1.00 0.19 H new ATOM 0 HB2 LEU A 39 -3.967 -0.677 2.852 1.00 0.20 H new ATOM 0 HB3 LEU A 39 -2.215 -0.698 2.832 1.00 0.20 H new ATOM 0 HG LEU A 39 -2.140 -2.324 1.113 1.00 0.19 H new ATOM 0 HD11 LEU A 39 -4.113 -3.391 0.135 1.00 0.18 H new ATOM 0 HD12 LEU A 39 -3.887 -3.829 1.845 1.00 0.18 H new ATOM 0 HD13 LEU A 39 -5.132 -2.643 1.387 1.00 0.18 H new ATOM 0 HD21 LEU A 39 -3.428 -1.199 -0.695 1.00 0.22 H new ATOM 0 HD22 LEU A 39 -4.382 -0.340 0.538 1.00 0.22 H new ATOM 0 HD23 LEU A 39 -2.637 -0.025 0.383 1.00 0.22 H new ATOM 652 N VAL A 40 -1.706 -2.328 5.835 1.00 0.17 N ATOM 653 CA VAL A 40 -1.355 -1.907 7.167 1.00 0.20 C ATOM 654 C VAL A 40 0.126 -1.570 7.275 1.00 0.18 C ATOM 655 O VAL A 40 0.994 -2.385 6.974 1.00 0.23 O ATOM 656 CB VAL A 40 -1.754 -2.972 8.222 1.00 0.29 C ATOM 657 CG1 VAL A 40 -1.000 -4.277 8.021 1.00 0.84 C ATOM 658 CG2 VAL A 40 -1.535 -2.447 9.629 1.00 0.88 C ATOM 0 H VAL A 40 -1.185 -3.133 5.487 1.00 0.17 H new ATOM 0 HA VAL A 40 -1.921 -0.999 7.375 1.00 0.20 H new ATOM 0 HB VAL A 40 -2.816 -3.178 8.086 1.00 0.29 H new ATOM 0 HG11 VAL A 40 -1.308 -4.996 8.780 1.00 0.84 H new ATOM 0 HG12 VAL A 40 -1.222 -4.677 7.031 1.00 0.84 H new ATOM 0 HG13 VAL A 40 0.071 -4.095 8.107 1.00 0.84 H new ATOM 0 HG21 VAL A 40 -1.822 -3.211 10.351 1.00 0.88 H new ATOM 0 HG22 VAL A 40 -0.483 -2.196 9.764 1.00 0.88 H new ATOM 0 HG23 VAL A 40 -2.143 -1.556 9.783 1.00 0.88 H new ATOM 668 N HIS A 41 0.389 -0.331 7.652 1.00 0.16 N ATOM 669 CA HIS A 41 1.729 0.113 8.022 1.00 0.17 C ATOM 670 C HIS A 41 2.633 0.304 6.813 1.00 0.14 C ATOM 671 O HIS A 41 3.311 -0.621 6.371 1.00 0.17 O ATOM 672 CB HIS A 41 2.379 -0.867 9.010 1.00 0.22 C ATOM 673 CG HIS A 41 3.567 -0.319 9.748 1.00 0.42 C ATOM 674 ND1 HIS A 41 4.168 -0.994 10.783 1.00 0.98 N ATOM 675 CD2 HIS A 41 4.258 0.842 9.616 1.00 0.56 C ATOM 676 CE1 HIS A 41 5.164 -0.279 11.258 1.00 1.03 C ATOM 677 NE2 HIS A 41 5.244 0.841 10.569 1.00 0.67 N ATOM 0 H HIS A 41 -0.320 0.400 7.712 1.00 0.16 H new ATOM 0 HA HIS A 41 1.611 1.084 8.503 1.00 0.17 H new ATOM 0 HB2 HIS A 41 1.629 -1.179 9.737 1.00 0.22 H new ATOM 0 HB3 HIS A 41 2.687 -1.760 8.466 1.00 0.22 H new ATOM 0 HD2 HIS A 41 4.067 1.622 8.894 1.00 0.56 H new ATOM 0 HE1 HIS A 41 5.809 -0.563 12.077 1.00 1.03 H new ATOM 0 HE2 HIS A 41 5.926 1.584 10.719 1.00 0.67 H new ATOM 686 N THR A 42 2.621 1.512 6.285 1.00 0.16 N ATOM 687 CA THR A 42 3.608 1.927 5.311 1.00 0.16 C ATOM 688 C THR A 42 4.836 2.436 6.055 1.00 0.20 C ATOM 689 O THR A 42 4.730 3.313 6.916 1.00 0.31 O ATOM 690 CB THR A 42 3.062 3.042 4.385 1.00 0.20 C ATOM 691 OG1 THR A 42 4.099 3.536 3.534 1.00 0.22 O ATOM 692 CG2 THR A 42 2.475 4.188 5.195 1.00 0.31 C ATOM 0 H THR A 42 1.932 2.228 6.517 1.00 0.16 H new ATOM 0 HA THR A 42 3.862 1.073 4.684 1.00 0.16 H new ATOM 0 HB THR A 42 2.271 2.609 3.773 1.00 0.20 H new ATOM 0 HG1 THR A 42 3.832 3.430 2.597 1.00 0.22 H new ATOM 0 HG21 THR A 42 2.099 4.956 4.519 1.00 0.31 H new ATOM 0 HG22 THR A 42 1.657 3.816 5.812 1.00 0.31 H new ATOM 0 HG23 THR A 42 3.247 4.614 5.835 1.00 0.31 H new ATOM 700 N TYR A 43 5.993 1.874 5.773 1.00 0.22 N ATOM 701 CA TYR A 43 7.197 2.337 6.425 1.00 0.29 C ATOM 702 C TYR A 43 8.325 2.451 5.430 1.00 0.27 C ATOM 703 O TYR A 43 8.564 1.534 4.650 1.00 0.37 O ATOM 704 CB TYR A 43 7.593 1.416 7.576 1.00 0.45 C ATOM 705 CG TYR A 43 8.332 2.155 8.661 1.00 0.74 C ATOM 706 CD1 TYR A 43 7.734 3.232 9.294 1.00 1.15 C ATOM 707 CD2 TYR A 43 9.610 1.788 9.051 1.00 0.94 C ATOM 708 CE1 TYR A 43 8.384 3.926 10.288 1.00 1.53 C ATOM 709 CE2 TYR A 43 10.273 2.478 10.048 1.00 1.34 C ATOM 710 CZ TYR A 43 9.653 3.549 10.664 1.00 1.58 C ATOM 711 OH TYR A 43 10.303 4.236 11.664 1.00 2.02 O ATOM 0 H TYR A 43 6.124 1.110 5.109 1.00 0.22 H new ATOM 0 HA TYR A 43 6.994 3.324 6.840 1.00 0.29 H new ATOM 0 HB2 TYR A 43 6.699 0.955 7.996 1.00 0.45 H new ATOM 0 HB3 TYR A 43 8.219 0.609 7.196 1.00 0.45 H new ATOM 0 HD1 TYR A 43 6.739 3.533 9.002 1.00 1.15 H new ATOM 0 HD2 TYR A 43 10.094 0.951 8.569 1.00 0.94 H new ATOM 0 HE1 TYR A 43 7.901 4.763 10.771 1.00 1.53 H new ATOM 0 HE2 TYR A 43 11.269 2.183 10.344 1.00 1.34 H new ATOM 0 HH TYR A 43 11.189 3.843 11.809 1.00 2.02 H new ATOM 721 N VAL A 44 9.010 3.581 5.461 1.00 0.25 N ATOM 722 CA VAL A 44 10.074 3.860 4.513 1.00 0.28 C ATOM 723 C VAL A 44 11.206 4.652 5.185 1.00 0.34 C ATOM 724 O VAL A 44 10.985 5.727 5.738 1.00 0.36 O ATOM 725 CB VAL A 44 9.529 4.622 3.281 1.00 0.33 C ATOM 726 CG1 VAL A 44 8.790 5.886 3.687 1.00 0.71 C ATOM 727 CG2 VAL A 44 10.647 4.951 2.315 1.00 0.60 C ATOM 0 H VAL A 44 8.846 4.326 6.139 1.00 0.25 H new ATOM 0 HA VAL A 44 10.480 2.908 4.170 1.00 0.28 H new ATOM 0 HB VAL A 44 8.817 3.966 2.780 1.00 0.33 H new ATOM 0 HG11 VAL A 44 8.422 6.394 2.796 1.00 0.71 H new ATOM 0 HG12 VAL A 44 7.949 5.625 4.330 1.00 0.71 H new ATOM 0 HG13 VAL A 44 9.468 6.546 4.227 1.00 0.71 H new ATOM 0 HG21 VAL A 44 10.241 5.486 1.457 1.00 0.60 H new ATOM 0 HG22 VAL A 44 11.388 5.575 2.815 1.00 0.60 H new ATOM 0 HG23 VAL A 44 11.119 4.028 1.977 1.00 0.60 H new ATOM 737 N PRO A 45 12.428 4.099 5.179 1.00 0.41 N ATOM 738 CA PRO A 45 13.597 4.712 5.815 1.00 0.48 C ATOM 739 C PRO A 45 14.256 5.813 4.977 1.00 0.51 C ATOM 740 O PRO A 45 13.657 6.352 4.042 1.00 0.50 O ATOM 741 CB PRO A 45 14.565 3.534 6.005 1.00 0.61 C ATOM 742 CG PRO A 45 13.815 2.319 5.562 1.00 0.79 C ATOM 743 CD PRO A 45 12.773 2.806 4.602 1.00 0.48 C ATOM 0 HA PRO A 45 13.314 5.215 6.740 1.00 0.48 H new ATOM 0 HB2 PRO A 45 15.471 3.672 5.414 1.00 0.61 H new ATOM 0 HB3 PRO A 45 14.874 3.445 7.046 1.00 0.61 H new ATOM 0 HG2 PRO A 45 14.482 1.601 5.084 1.00 0.79 H new ATOM 0 HG3 PRO A 45 13.357 1.812 6.411 1.00 0.79 H new ATOM 0 HD2 PRO A 45 13.161 2.900 3.588 1.00 0.48 H new ATOM 0 HD3 PRO A 45 11.915 2.136 4.554 1.00 0.48 H new ATOM 751 N SER A 46 15.515 6.097 5.307 1.00 0.63 N ATOM 752 CA SER A 46 16.222 7.295 4.858 1.00 0.77 C ATOM 753 C SER A 46 16.415 7.382 3.342 1.00 0.80 C ATOM 754 O SER A 46 16.294 8.466 2.770 1.00 0.94 O ATOM 755 CB SER A 46 17.582 7.358 5.550 1.00 0.91 C ATOM 756 OG SER A 46 17.442 7.169 6.948 1.00 1.39 O ATOM 0 H SER A 46 16.081 5.492 5.903 1.00 0.63 H new ATOM 0 HA SER A 46 15.595 8.144 5.129 1.00 0.77 H new ATOM 0 HB2 SER A 46 18.241 6.593 5.139 1.00 0.91 H new ATOM 0 HB3 SER A 46 18.051 8.322 5.353 1.00 0.91 H new ATOM 0 HG SER A 46 18.324 7.211 7.374 1.00 1.39 H new ATOM 762 N PHE A 47 16.728 6.264 2.697 1.00 0.75 N ATOM 763 CA PHE A 47 17.079 6.288 1.276 1.00 0.80 C ATOM 764 C PHE A 47 15.924 6.788 0.421 1.00 0.73 C ATOM 765 O PHE A 47 16.128 7.464 -0.589 1.00 0.82 O ATOM 766 CB PHE A 47 17.493 4.900 0.789 1.00 0.83 C ATOM 767 CG PHE A 47 18.257 4.930 -0.506 1.00 1.39 C ATOM 768 CD1 PHE A 47 19.611 5.214 -0.527 1.00 1.61 C ATOM 769 CD2 PHE A 47 17.614 4.667 -1.706 1.00 2.13 C ATOM 770 CE1 PHE A 47 20.311 5.235 -1.717 1.00 2.39 C ATOM 771 CE2 PHE A 47 18.309 4.686 -2.900 1.00 3.04 C ATOM 772 CZ PHE A 47 19.675 5.000 -2.896 1.00 3.12 C ATOM 0 H PHE A 47 16.747 5.339 3.126 1.00 0.75 H new ATOM 0 HA PHE A 47 17.918 6.975 1.172 1.00 0.80 H new ATOM 0 HB2 PHE A 47 18.105 4.421 1.553 1.00 0.83 H new ATOM 0 HB3 PHE A 47 16.602 4.285 0.663 1.00 0.83 H new ATOM 0 HD1 PHE A 47 20.127 5.422 0.399 1.00 1.61 H new ATOM 0 HD2 PHE A 47 16.557 4.445 -1.707 1.00 2.13 H new ATOM 0 HE1 PHE A 47 21.371 5.440 -1.712 1.00 2.39 H new ATOM 0 HE2 PHE A 47 17.804 4.461 -3.828 1.00 3.04 H new ATOM 0 HZ PHE A 47 20.221 5.055 -3.826 1.00 3.12 H new ATOM 782 N LYS A 48 14.710 6.456 0.828 1.00 0.61 N ATOM 783 CA LYS A 48 13.544 6.770 0.027 1.00 0.60 C ATOM 784 C LYS A 48 12.744 7.910 0.660 1.00 0.64 C ATOM 785 O LYS A 48 12.411 8.879 -0.010 1.00 0.78 O ATOM 786 CB LYS A 48 12.659 5.532 -0.128 1.00 0.55 C ATOM 787 CG LYS A 48 13.399 4.236 -0.463 1.00 0.76 C ATOM 788 CD LYS A 48 14.084 4.296 -1.817 1.00 0.81 C ATOM 789 CE LYS A 48 14.306 2.905 -2.393 1.00 0.97 C ATOM 790 NZ LYS A 48 15.392 2.146 -1.706 1.00 1.19 N ATOM 0 H LYS A 48 14.509 5.972 1.703 1.00 0.61 H new ATOM 0 HA LYS A 48 13.882 7.090 -0.959 1.00 0.60 H new ATOM 0 HB2 LYS A 48 12.104 5.385 0.798 1.00 0.55 H new ATOM 0 HB3 LYS A 48 11.926 5.725 -0.912 1.00 0.55 H new ATOM 0 HG2 LYS A 48 14.142 4.035 0.309 1.00 0.76 H new ATOM 0 HG3 LYS A 48 12.694 3.405 -0.452 1.00 0.76 H new ATOM 0 HD2 LYS A 48 13.478 4.884 -2.507 1.00 0.81 H new ATOM 0 HD3 LYS A 48 15.042 4.807 -1.719 1.00 0.81 H new ATOM 0 HE2 LYS A 48 13.377 2.339 -2.324 1.00 0.97 H new ATOM 0 HE3 LYS A 48 14.548 2.993 -3.452 1.00 0.97 H new ATOM 0 HZ1 LYS A 48 15.349 1.146 -1.988 1.00 1.19 H new ATOM 0 HZ2 LYS A 48 16.316 2.542 -1.974 1.00 1.19 H new ATOM 0 HZ3 LYS A 48 15.270 2.221 -0.676 1.00 1.19 H new ATOM 804 N ARG A 49 12.450 7.781 1.956 1.00 0.73 N ATOM 805 CA ARG A 49 11.659 8.770 2.701 1.00 0.84 C ATOM 806 C ARG A 49 10.395 9.196 1.943 1.00 0.91 C ATOM 807 O ARG A 49 9.404 8.467 1.914 1.00 1.75 O ATOM 808 CB ARG A 49 12.504 10.000 3.056 1.00 1.03 C ATOM 809 CG ARG A 49 13.620 9.717 4.052 1.00 1.35 C ATOM 810 CD ARG A 49 13.078 9.263 5.403 1.00 1.45 C ATOM 811 NE ARG A 49 12.310 10.310 6.074 1.00 1.92 N ATOM 812 CZ ARG A 49 11.645 10.135 7.218 1.00 2.48 C ATOM 813 NH1 ARG A 49 11.695 8.970 7.852 1.00 2.70 N ATOM 814 NH2 ARG A 49 10.958 11.139 7.745 1.00 3.23 N ATOM 0 H ARG A 49 12.753 6.988 2.521 1.00 0.73 H new ATOM 0 HA ARG A 49 11.341 8.283 3.623 1.00 0.84 H new ATOM 0 HB2 ARG A 49 12.940 10.405 2.143 1.00 1.03 H new ATOM 0 HB3 ARG A 49 11.851 10.771 3.466 1.00 1.03 H new ATOM 0 HG2 ARG A 49 14.279 8.948 3.649 1.00 1.35 H new ATOM 0 HG3 ARG A 49 14.223 10.615 4.186 1.00 1.35 H new ATOM 0 HD2 ARG A 49 12.446 8.386 5.262 1.00 1.45 H new ATOM 0 HD3 ARG A 49 13.908 8.959 6.041 1.00 1.45 H new ATOM 0 HE ARG A 49 12.280 11.233 5.641 1.00 1.92 H new ATOM 0 HH11 ARG A 49 12.244 8.202 7.465 1.00 2.70 H new ATOM 0 HH12 ARG A 49 11.185 8.843 8.726 1.00 2.70 H new ATOM 0 HH21 ARG A 49 10.938 12.045 7.276 1.00 3.23 H new ATOM 0 HH22 ARG A 49 10.450 11.006 8.619 1.00 3.23 H new ATOM 828 N GLY A 50 10.449 10.356 1.300 1.00 1.00 N ATOM 829 CA GLY A 50 9.269 10.903 0.661 1.00 1.07 C ATOM 830 C GLY A 50 9.406 11.012 -0.843 1.00 0.98 C ATOM 831 O GLY A 50 8.922 11.971 -1.445 1.00 1.12 O ATOM 0 H GLY A 50 11.289 10.927 1.210 1.00 1.00 H new ATOM 0 HA2 GLY A 50 8.410 10.274 0.897 1.00 1.07 H new ATOM 0 HA3 GLY A 50 9.064 11.891 1.074 1.00 1.07 H new ATOM 835 N LEU A 51 10.069 10.039 -1.456 1.00 0.81 N ATOM 836 CA LEU A 51 10.179 10.001 -2.913 1.00 0.81 C ATOM 837 C LEU A 51 8.894 9.472 -3.538 1.00 0.71 C ATOM 838 O LEU A 51 8.748 9.469 -4.759 1.00 0.88 O ATOM 839 CB LEU A 51 11.337 9.106 -3.367 1.00 0.82 C ATOM 840 CG LEU A 51 12.724 9.476 -2.838 1.00 1.11 C ATOM 841 CD1 LEU A 51 13.778 8.549 -3.422 1.00 1.46 C ATOM 842 CD2 LEU A 51 13.050 10.928 -3.152 1.00 1.95 C ATOM 0 H LEU A 51 10.536 9.271 -0.974 1.00 0.81 H new ATOM 0 HA LEU A 51 10.363 11.024 -3.241 1.00 0.81 H new ATOM 0 HB2 LEU A 51 11.117 8.082 -3.065 1.00 0.82 H new ATOM 0 HB3 LEU A 51 11.372 9.117 -4.456 1.00 0.82 H new ATOM 0 HG LEU A 51 12.723 9.357 -1.755 1.00 1.11 H new ATOM 0 HD11 LEU A 51 14.759 8.825 -3.036 1.00 1.46 H new ATOM 0 HD12 LEU A 51 13.554 7.520 -3.141 1.00 1.46 H new ATOM 0 HD13 LEU A 51 13.778 8.636 -4.508 1.00 1.46 H new ATOM 0 HD21 LEU A 51 14.041 11.170 -2.767 1.00 1.95 H new ATOM 0 HD22 LEU A 51 13.033 11.079 -4.231 1.00 1.95 H new ATOM 0 HD23 LEU A 51 12.310 11.577 -2.683 1.00 1.95 H new ATOM 854 N GLY A 52 7.966 9.008 -2.709 1.00 0.52 N ATOM 855 CA GLY A 52 6.782 8.380 -3.247 1.00 0.43 C ATOM 856 C GLY A 52 6.693 6.915 -2.879 1.00 0.32 C ATOM 857 O GLY A 52 5.611 6.331 -2.875 1.00 0.28 O ATOM 0 H GLY A 52 8.013 9.055 -1.691 1.00 0.52 H new ATOM 0 HA2 GLY A 52 5.898 8.900 -2.878 1.00 0.43 H new ATOM 0 HA3 GLY A 52 6.781 8.481 -4.332 1.00 0.43 H new ATOM 861 N LEU A 53 7.850 6.324 -2.598 1.00 0.31 N ATOM 862 CA LEU A 53 7.980 4.883 -2.397 1.00 0.27 C ATOM 863 C LEU A 53 6.988 4.349 -1.360 1.00 0.20 C ATOM 864 O LEU A 53 6.406 3.285 -1.560 1.00 0.20 O ATOM 865 CB LEU A 53 9.425 4.553 -1.990 1.00 0.29 C ATOM 866 CG LEU A 53 9.809 3.067 -1.995 1.00 0.33 C ATOM 867 CD1 LEU A 53 9.360 2.372 -0.723 1.00 0.55 C ATOM 868 CD2 LEU A 53 9.214 2.372 -3.202 1.00 0.67 C ATOM 0 H LEU A 53 8.729 6.833 -2.503 1.00 0.31 H new ATOM 0 HA LEU A 53 7.742 4.388 -3.338 1.00 0.27 H new ATOM 0 HB2 LEU A 53 10.100 5.083 -2.662 1.00 0.29 H new ATOM 0 HB3 LEU A 53 9.597 4.948 -0.989 1.00 0.29 H new ATOM 0 HG LEU A 53 10.896 3.008 -2.047 1.00 0.33 H new ATOM 0 HD11 LEU A 53 9.648 1.322 -0.761 1.00 0.55 H new ATOM 0 HD12 LEU A 53 9.832 2.847 0.137 1.00 0.55 H new ATOM 0 HD13 LEU A 53 8.277 2.448 -0.630 1.00 0.55 H new ATOM 0 HD21 LEU A 53 9.495 1.319 -3.191 1.00 0.67 H new ATOM 0 HD22 LEU A 53 8.128 2.458 -3.172 1.00 0.67 H new ATOM 0 HD23 LEU A 53 9.590 2.839 -4.113 1.00 0.67 H new ATOM 880 N ALA A 54 6.789 5.082 -0.271 1.00 0.19 N ATOM 881 CA ALA A 54 5.846 4.663 0.763 1.00 0.17 C ATOM 882 C ALA A 54 4.461 4.418 0.167 1.00 0.15 C ATOM 883 O ALA A 54 3.841 3.377 0.384 1.00 0.15 O ATOM 884 CB ALA A 54 5.773 5.711 1.860 1.00 0.24 C ATOM 0 H ALA A 54 7.264 5.964 -0.080 1.00 0.19 H new ATOM 0 HA ALA A 54 6.201 3.727 1.194 1.00 0.17 H new ATOM 0 HB1 ALA A 54 5.067 5.388 2.625 1.00 0.24 H new ATOM 0 HB2 ALA A 54 6.759 5.839 2.307 1.00 0.24 H new ATOM 0 HB3 ALA A 54 5.440 6.659 1.436 1.00 0.24 H new ATOM 890 N SER A 55 3.996 5.383 -0.603 1.00 0.17 N ATOM 891 CA SER A 55 2.718 5.283 -1.282 1.00 0.21 C ATOM 892 C SER A 55 2.740 4.183 -2.346 1.00 0.21 C ATOM 893 O SER A 55 1.729 3.534 -2.589 1.00 0.25 O ATOM 894 CB SER A 55 2.372 6.633 -1.904 1.00 0.28 C ATOM 895 OG SER A 55 2.486 7.671 -0.944 1.00 1.08 O ATOM 0 H SER A 55 4.492 6.257 -0.775 1.00 0.17 H new ATOM 0 HA SER A 55 1.952 5.014 -0.555 1.00 0.21 H new ATOM 0 HB2 SER A 55 3.037 6.833 -2.744 1.00 0.28 H new ATOM 0 HB3 SER A 55 1.357 6.607 -2.300 1.00 0.28 H new ATOM 0 HG SER A 55 2.262 8.529 -1.362 1.00 1.08 H new ATOM 901 N HIS A 56 3.900 3.970 -2.963 1.00 0.21 N ATOM 902 CA HIS A 56 4.059 2.906 -3.957 1.00 0.23 C ATOM 903 C HIS A 56 3.793 1.544 -3.333 1.00 0.20 C ATOM 904 O HIS A 56 3.254 0.647 -3.985 1.00 0.23 O ATOM 905 CB HIS A 56 5.464 2.919 -4.569 1.00 0.29 C ATOM 906 CG HIS A 56 5.620 3.853 -5.726 1.00 0.45 C ATOM 907 ND1 HIS A 56 6.062 3.437 -6.961 1.00 0.79 N ATOM 908 CD2 HIS A 56 5.412 5.186 -5.833 1.00 0.70 C ATOM 909 CE1 HIS A 56 6.120 4.470 -7.779 1.00 0.99 C ATOM 910 NE2 HIS A 56 5.729 5.542 -7.119 1.00 0.93 N ATOM 0 H HIS A 56 4.744 4.518 -2.794 1.00 0.21 H new ATOM 0 HA HIS A 56 3.332 3.090 -4.748 1.00 0.23 H new ATOM 0 HB2 HIS A 56 6.182 3.193 -3.796 1.00 0.29 H new ATOM 0 HB3 HIS A 56 5.716 1.910 -4.895 1.00 0.29 H new ATOM 0 HD2 HIS A 56 5.062 5.845 -5.052 1.00 0.70 H new ATOM 0 HE1 HIS A 56 6.434 4.442 -8.812 1.00 0.99 H new ATOM 0 HE2 HIS A 56 5.671 6.485 -7.503 1.00 0.93 H new ATOM 919 N LEU A 57 4.165 1.402 -2.066 1.00 0.15 N ATOM 920 CA LEU A 57 3.904 0.176 -1.327 1.00 0.13 C ATOM 921 C LEU A 57 2.401 -0.051 -1.240 1.00 0.13 C ATOM 922 O LEU A 57 1.900 -1.151 -1.489 1.00 0.15 O ATOM 923 CB LEU A 57 4.507 0.267 0.079 1.00 0.14 C ATOM 924 CG LEU A 57 6.027 0.432 0.135 1.00 0.17 C ATOM 925 CD1 LEU A 57 6.468 0.802 1.540 1.00 0.19 C ATOM 926 CD2 LEU A 57 6.715 -0.846 -0.311 1.00 0.22 C ATOM 0 H LEU A 57 4.649 2.123 -1.530 1.00 0.15 H new ATOM 0 HA LEU A 57 4.366 -0.663 -1.847 1.00 0.13 H new ATOM 0 HB2 LEU A 57 4.048 1.109 0.598 1.00 0.14 H new ATOM 0 HB3 LEU A 57 4.236 -0.633 0.630 1.00 0.14 H new ATOM 0 HG LEU A 57 6.312 1.236 -0.543 1.00 0.17 H new ATOM 0 HD11 LEU A 57 7.552 0.916 1.563 1.00 0.19 H new ATOM 0 HD12 LEU A 57 5.998 1.741 1.833 1.00 0.19 H new ATOM 0 HD13 LEU A 57 6.171 0.015 2.234 1.00 0.19 H new ATOM 0 HD21 LEU A 57 7.796 -0.712 -0.266 1.00 0.22 H new ATOM 0 HD22 LEU A 57 6.423 -1.665 0.346 1.00 0.22 H new ATOM 0 HD23 LEU A 57 6.421 -1.079 -1.334 1.00 0.22 H new ATOM 938 N CYS A 58 1.687 1.016 -0.905 1.00 0.16 N ATOM 939 CA CYS A 58 0.236 0.979 -0.811 1.00 0.19 C ATOM 940 C CYS A 58 -0.391 0.683 -2.171 1.00 0.19 C ATOM 941 O CYS A 58 -1.321 -0.119 -2.280 1.00 0.20 O ATOM 942 CB CYS A 58 -0.273 2.317 -0.278 1.00 0.23 C ATOM 943 SG CYS A 58 -2.043 2.359 0.072 1.00 0.27 S ATOM 0 H CYS A 58 2.096 1.926 -0.692 1.00 0.16 H new ATOM 0 HA CYS A 58 -0.050 0.181 -0.126 1.00 0.19 H new ATOM 0 HB2 CYS A 58 0.271 2.561 0.635 1.00 0.23 H new ATOM 0 HB3 CYS A 58 -0.041 3.095 -1.005 1.00 0.23 H new ATOM 0 HG CYS A 58 -2.708 2.258 -1.041 1.00 0.27 H new ATOM 949 N VAL A 59 0.127 1.329 -3.205 1.00 0.19 N ATOM 950 CA VAL A 59 -0.385 1.150 -4.560 1.00 0.22 C ATOM 951 C VAL A 59 -0.208 -0.291 -5.029 1.00 0.20 C ATOM 952 O VAL A 59 -1.072 -0.836 -5.708 1.00 0.22 O ATOM 953 CB VAL A 59 0.304 2.111 -5.553 1.00 0.25 C ATOM 954 CG1 VAL A 59 -0.149 1.854 -6.982 1.00 0.29 C ATOM 955 CG2 VAL A 59 0.023 3.552 -5.169 1.00 0.29 C ATOM 0 H VAL A 59 0.905 1.985 -3.133 1.00 0.19 H new ATOM 0 HA VAL A 59 -1.450 1.383 -4.534 1.00 0.22 H new ATOM 0 HB VAL A 59 1.377 1.928 -5.503 1.00 0.25 H new ATOM 0 HG11 VAL A 59 0.356 2.548 -7.654 1.00 0.29 H new ATOM 0 HG12 VAL A 59 0.099 0.831 -7.264 1.00 0.29 H new ATOM 0 HG13 VAL A 59 -1.227 1.999 -7.054 1.00 0.29 H new ATOM 0 HG21 VAL A 59 0.514 4.220 -5.877 1.00 0.29 H new ATOM 0 HG22 VAL A 59 -1.052 3.731 -5.188 1.00 0.29 H new ATOM 0 HG23 VAL A 59 0.405 3.742 -4.166 1.00 0.29 H new ATOM 965 N ALA A 60 0.898 -0.916 -4.637 1.00 0.18 N ATOM 966 CA ALA A 60 1.173 -2.292 -5.034 1.00 0.21 C ATOM 967 C ALA A 60 0.169 -3.250 -4.405 1.00 0.17 C ATOM 968 O ALA A 60 -0.125 -4.308 -4.968 1.00 0.17 O ATOM 969 CB ALA A 60 2.598 -2.683 -4.665 1.00 0.28 C ATOM 0 H ALA A 60 1.615 -0.494 -4.047 1.00 0.18 H new ATOM 0 HA ALA A 60 1.070 -2.360 -6.117 1.00 0.21 H new ATOM 0 HB1 ALA A 60 2.783 -3.713 -4.970 1.00 0.28 H new ATOM 0 HB2 ALA A 60 3.300 -2.022 -5.174 1.00 0.28 H new ATOM 0 HB3 ALA A 60 2.732 -2.594 -3.587 1.00 0.28 H new ATOM 975 N ALA A 61 -0.369 -2.883 -3.246 1.00 0.16 N ATOM 976 CA ALA A 61 -1.424 -3.667 -2.645 1.00 0.16 C ATOM 977 C ALA A 61 -2.723 -3.441 -3.409 1.00 0.14 C ATOM 978 O ALA A 61 -3.527 -4.360 -3.576 1.00 0.15 O ATOM 979 CB ALA A 61 -1.579 -3.314 -1.179 1.00 0.20 C ATOM 0 H ALA A 61 -0.091 -2.057 -2.716 1.00 0.16 H new ATOM 0 HA ALA A 61 -1.167 -4.725 -2.702 1.00 0.16 H new ATOM 0 HB1 ALA A 61 -2.378 -3.914 -0.743 1.00 0.20 H new ATOM 0 HB2 ALA A 61 -0.645 -3.517 -0.655 1.00 0.20 H new ATOM 0 HB3 ALA A 61 -1.826 -2.257 -1.083 1.00 0.20 H new ATOM 985 N PHE A 62 -2.908 -2.210 -3.891 1.00 0.14 N ATOM 986 CA PHE A 62 -4.058 -1.879 -4.726 1.00 0.15 C ATOM 987 C PHE A 62 -4.045 -2.696 -6.005 1.00 0.15 C ATOM 988 O PHE A 62 -5.049 -3.317 -6.352 1.00 0.16 O ATOM 989 CB PHE A 62 -4.091 -0.392 -5.092 1.00 0.17 C ATOM 990 CG PHE A 62 -4.548 0.520 -3.991 1.00 0.19 C ATOM 991 CD1 PHE A 62 -5.736 0.280 -3.319 1.00 0.21 C ATOM 992 CD2 PHE A 62 -3.777 1.605 -3.614 1.00 0.20 C ATOM 993 CE1 PHE A 62 -6.149 1.108 -2.294 1.00 0.23 C ATOM 994 CE2 PHE A 62 -4.185 2.439 -2.592 1.00 0.23 C ATOM 995 CZ PHE A 62 -5.412 2.227 -1.977 1.00 0.24 C ATOM 0 H PHE A 62 -2.276 -1.429 -3.716 1.00 0.14 H new ATOM 0 HA PHE A 62 -4.947 -2.115 -4.142 1.00 0.15 H new ATOM 0 HB2 PHE A 62 -3.092 -0.088 -5.405 1.00 0.17 H new ATOM 0 HB3 PHE A 62 -4.749 -0.259 -5.951 1.00 0.17 H new ATOM 0 HD1 PHE A 62 -6.346 -0.565 -3.601 1.00 0.21 H new ATOM 0 HD2 PHE A 62 -2.846 1.802 -4.125 1.00 0.20 H new ATOM 0 HE1 PHE A 62 -7.048 0.878 -1.742 1.00 0.23 H new ATOM 0 HE2 PHE A 62 -3.552 3.253 -2.272 1.00 0.23 H new ATOM 0 HZ PHE A 62 -5.786 2.936 -1.254 1.00 0.24 H new ATOM 1005 N GLU A 63 -2.907 -2.691 -6.700 1.00 0.16 N ATOM 1006 CA GLU A 63 -2.754 -3.439 -7.947 1.00 0.19 C ATOM 1007 C GLU A 63 -3.133 -4.895 -7.738 1.00 0.19 C ATOM 1008 O GLU A 63 -3.802 -5.507 -8.568 1.00 0.24 O ATOM 1009 CB GLU A 63 -1.307 -3.385 -8.452 1.00 0.22 C ATOM 1010 CG GLU A 63 -0.701 -1.993 -8.511 1.00 0.29 C ATOM 1011 CD GLU A 63 0.613 -1.976 -9.260 1.00 1.16 C ATOM 1012 OE1 GLU A 63 0.589 -1.806 -10.498 1.00 1.98 O ATOM 1013 OE2 GLU A 63 1.672 -2.151 -8.618 1.00 1.58 O ATOM 0 H GLU A 63 -2.074 -2.174 -6.418 1.00 0.16 H new ATOM 0 HA GLU A 63 -3.412 -2.979 -8.685 1.00 0.19 H new ATOM 0 HB2 GLU A 63 -0.689 -4.007 -7.805 1.00 0.22 H new ATOM 0 HB3 GLU A 63 -1.269 -3.824 -9.449 1.00 0.22 H new ATOM 0 HG2 GLU A 63 -1.402 -1.313 -8.995 1.00 0.29 H new ATOM 0 HG3 GLU A 63 -0.545 -1.623 -7.498 1.00 0.29 H new ATOM 1020 N HIS A 64 -2.721 -5.422 -6.598 1.00 0.17 N ATOM 1021 CA HIS A 64 -2.897 -6.828 -6.294 1.00 0.19 C ATOM 1022 C HIS A 64 -4.375 -7.157 -6.106 1.00 0.19 C ATOM 1023 O HIS A 64 -4.893 -8.111 -6.690 1.00 0.24 O ATOM 1024 CB HIS A 64 -2.105 -7.181 -5.035 1.00 0.20 C ATOM 1025 CG HIS A 64 -1.927 -8.654 -4.827 1.00 0.58 C ATOM 1026 ND1 HIS A 64 -2.770 -9.593 -4.342 1.00 1.50 N flip ATOM 1027 CD2 HIS A 64 -0.754 -9.311 -5.126 1.00 1.13 C flip ATOM 1028 CE1 HIS A 64 -2.100 -10.789 -4.360 1.00 1.68 C flip ATOM 1029 NE2 HIS A 64 -0.886 -10.592 -4.839 1.00 1.33 N flip ATOM 0 H HIS A 64 -2.258 -4.889 -5.862 1.00 0.17 H new ATOM 0 HA HIS A 64 -2.524 -7.421 -7.129 1.00 0.19 H new ATOM 0 HB2 HIS A 64 -1.124 -6.710 -5.090 1.00 0.20 H new ATOM 0 HB3 HIS A 64 -2.613 -6.760 -4.167 1.00 0.20 H new ATOM 0 HD2 HIS A 64 0.134 -8.850 -5.532 1.00 1.13 H new ATOM 0 HE1 HIS A 64 -2.500 -11.738 -4.035 1.00 1.68 H new ATOM 0 HE2 HIS A 64 -0.171 -11.308 -4.966 1.00 1.33 H new ATOM 1038 N ALA A 65 -5.052 -6.354 -5.299 1.00 0.15 N ATOM 1039 CA ALA A 65 -6.456 -6.584 -5.006 1.00 0.16 C ATOM 1040 C ALA A 65 -7.331 -6.251 -6.206 1.00 0.15 C ATOM 1041 O ALA A 65 -8.190 -7.041 -6.582 1.00 0.17 O ATOM 1042 CB ALA A 65 -6.882 -5.781 -3.794 1.00 0.20 C ATOM 0 H ALA A 65 -4.651 -5.538 -4.836 1.00 0.15 H new ATOM 0 HA ALA A 65 -6.585 -7.643 -4.784 1.00 0.16 H new ATOM 0 HB1 ALA A 65 -7.936 -5.965 -3.588 1.00 0.20 H new ATOM 0 HB2 ALA A 65 -6.286 -6.080 -2.932 1.00 0.20 H new ATOM 0 HB3 ALA A 65 -6.730 -4.719 -3.989 1.00 0.20 H new ATOM 1048 N SER A 66 -7.100 -5.089 -6.811 1.00 0.16 N ATOM 1049 CA SER A 66 -7.878 -4.657 -7.974 1.00 0.20 C ATOM 1050 C SER A 66 -7.926 -5.728 -9.068 1.00 0.24 C ATOM 1051 O SER A 66 -9.003 -6.061 -9.570 1.00 0.31 O ATOM 1052 CB SER A 66 -7.293 -3.371 -8.559 1.00 0.24 C ATOM 1053 OG SER A 66 -7.220 -2.348 -7.588 1.00 1.21 O ATOM 0 H SER A 66 -6.381 -4.428 -6.517 1.00 0.16 H new ATOM 0 HA SER A 66 -8.895 -4.480 -7.625 1.00 0.20 H new ATOM 0 HB2 SER A 66 -6.297 -3.570 -8.955 1.00 0.24 H new ATOM 0 HB3 SER A 66 -7.908 -3.038 -9.395 1.00 0.24 H new ATOM 0 HG SER A 66 -6.381 -2.431 -7.088 1.00 1.21 H new ATOM 1059 N SER A 67 -6.770 -6.279 -9.424 1.00 0.25 N ATOM 1060 CA SER A 67 -6.693 -7.239 -10.517 1.00 0.33 C ATOM 1061 C SER A 67 -7.333 -8.577 -10.142 1.00 0.34 C ATOM 1062 O SER A 67 -7.825 -9.304 -11.007 1.00 0.44 O ATOM 1063 CB SER A 67 -5.236 -7.432 -10.934 1.00 0.39 C ATOM 1064 OG SER A 67 -4.662 -6.189 -11.315 1.00 1.20 O ATOM 0 H SER A 67 -5.878 -6.078 -8.973 1.00 0.25 H new ATOM 0 HA SER A 67 -7.256 -6.840 -11.360 1.00 0.33 H new ATOM 0 HB2 SER A 67 -4.669 -7.864 -10.109 1.00 0.39 H new ATOM 0 HB3 SER A 67 -5.179 -8.136 -11.764 1.00 0.39 H new ATOM 0 HG SER A 67 -4.288 -5.745 -10.525 1.00 1.20 H new ATOM 1070 N HIS A 68 -7.344 -8.898 -8.852 1.00 0.29 N ATOM 1071 CA HIS A 68 -7.967 -10.135 -8.387 1.00 0.35 C ATOM 1072 C HIS A 68 -9.416 -9.870 -7.968 1.00 0.37 C ATOM 1073 O HIS A 68 -10.112 -10.765 -7.490 1.00 0.44 O ATOM 1074 CB HIS A 68 -7.166 -10.732 -7.221 1.00 0.37 C ATOM 1075 CG HIS A 68 -7.437 -12.188 -6.980 1.00 0.48 C ATOM 1076 ND1 HIS A 68 -6.717 -13.192 -7.587 1.00 1.25 N ATOM 1077 CD2 HIS A 68 -8.352 -12.809 -6.196 1.00 1.16 C ATOM 1078 CE1 HIS A 68 -7.175 -14.365 -7.191 1.00 1.03 C ATOM 1079 NE2 HIS A 68 -8.167 -14.160 -6.347 1.00 0.82 N ATOM 0 H HIS A 68 -6.933 -8.325 -8.115 1.00 0.29 H new ATOM 0 HA HIS A 68 -7.969 -10.856 -9.204 1.00 0.35 H new ATOM 0 HB2 HIS A 68 -6.102 -10.598 -7.418 1.00 0.37 H new ATOM 0 HB3 HIS A 68 -7.395 -10.175 -6.313 1.00 0.37 H new ATOM 0 HD2 HIS A 68 -9.089 -12.330 -5.569 1.00 1.16 H new ATOM 0 HE1 HIS A 68 -6.801 -15.328 -7.505 1.00 1.03 H new ATOM 0 HE2 HIS A 68 -8.709 -14.888 -5.882 1.00 0.82 H new ATOM 1088 N SER A 69 -9.856 -8.632 -8.175 1.00 0.33 N ATOM 1089 CA SER A 69 -11.206 -8.196 -7.816 1.00 0.37 C ATOM 1090 C SER A 69 -11.434 -8.338 -6.308 1.00 0.34 C ATOM 1091 O SER A 69 -12.345 -9.037 -5.857 1.00 0.54 O ATOM 1092 CB SER A 69 -12.260 -8.980 -8.611 1.00 0.47 C ATOM 1093 OG SER A 69 -13.550 -8.408 -8.470 1.00 1.12 O ATOM 0 H SER A 69 -9.286 -7.899 -8.598 1.00 0.33 H new ATOM 0 HA SER A 69 -11.308 -7.142 -8.075 1.00 0.37 H new ATOM 0 HB2 SER A 69 -11.983 -8.999 -9.665 1.00 0.47 H new ATOM 0 HB3 SER A 69 -12.280 -10.015 -8.268 1.00 0.47 H new ATOM 0 HG SER A 69 -13.829 -8.458 -7.532 1.00 1.12 H new ATOM 1099 N ILE A 70 -10.574 -7.688 -5.536 1.00 0.22 N ATOM 1100 CA ILE A 70 -10.659 -7.706 -4.085 1.00 0.21 C ATOM 1101 C ILE A 70 -10.871 -6.281 -3.565 1.00 0.19 C ATOM 1102 O ILE A 70 -10.487 -5.315 -4.224 1.00 0.20 O ATOM 1103 CB ILE A 70 -9.368 -8.301 -3.460 1.00 0.23 C ATOM 1104 CG1 ILE A 70 -9.018 -9.640 -4.116 1.00 0.30 C ATOM 1105 CG2 ILE A 70 -9.521 -8.487 -1.956 1.00 0.27 C ATOM 1106 CD1 ILE A 70 -7.723 -10.244 -3.611 1.00 0.36 C ATOM 0 H ILE A 70 -9.798 -7.134 -5.899 1.00 0.22 H new ATOM 0 HA ILE A 70 -11.502 -8.334 -3.797 1.00 0.21 H new ATOM 0 HB ILE A 70 -8.558 -7.595 -3.640 1.00 0.23 H new ATOM 0 HG12 ILE A 70 -9.831 -10.345 -3.940 1.00 0.30 H new ATOM 0 HG13 ILE A 70 -8.947 -9.499 -5.194 1.00 0.30 H new ATOM 0 HG21 ILE A 70 -8.602 -8.905 -1.546 1.00 0.27 H new ATOM 0 HG22 ILE A 70 -9.721 -7.523 -1.489 1.00 0.27 H new ATOM 0 HG23 ILE A 70 -10.350 -9.166 -1.756 1.00 0.27 H new ATOM 0 HD11 ILE A 70 -7.540 -11.190 -4.120 1.00 0.36 H new ATOM 0 HD12 ILE A 70 -6.899 -9.559 -3.812 1.00 0.36 H new ATOM 0 HD13 ILE A 70 -7.797 -10.418 -2.537 1.00 0.36 H new ATOM 1118 N SER A 71 -11.484 -6.156 -2.395 1.00 0.19 N ATOM 1119 CA SER A 71 -11.670 -4.861 -1.760 1.00 0.19 C ATOM 1120 C SER A 71 -10.494 -4.596 -0.829 1.00 0.17 C ATOM 1121 O SER A 71 -9.711 -5.497 -0.568 1.00 0.19 O ATOM 1122 CB SER A 71 -12.994 -4.839 -0.993 1.00 0.23 C ATOM 1123 OG SER A 71 -14.069 -5.175 -1.854 1.00 1.01 O ATOM 0 H SER A 71 -11.862 -6.941 -1.865 1.00 0.19 H new ATOM 0 HA SER A 71 -11.709 -4.076 -2.515 1.00 0.19 H new ATOM 0 HB2 SER A 71 -12.952 -5.543 -0.162 1.00 0.23 H new ATOM 0 HB3 SER A 71 -13.158 -3.850 -0.565 1.00 0.23 H new ATOM 0 HG SER A 71 -14.909 -5.159 -1.350 1.00 1.01 H new ATOM 1129 N ILE A 72 -10.348 -3.367 -0.360 1.00 0.15 N ATOM 1130 CA ILE A 72 -9.181 -2.985 0.432 1.00 0.14 C ATOM 1131 C ILE A 72 -9.571 -2.041 1.580 1.00 0.14 C ATOM 1132 O ILE A 72 -10.588 -1.351 1.511 1.00 0.16 O ATOM 1133 CB ILE A 72 -8.111 -2.309 -0.484 1.00 0.14 C ATOM 1134 CG1 ILE A 72 -7.498 -3.334 -1.443 1.00 0.16 C ATOM 1135 CG2 ILE A 72 -7.015 -1.606 0.312 1.00 0.14 C ATOM 1136 CD1 ILE A 72 -6.251 -2.843 -2.142 1.00 0.20 C ATOM 0 H ILE A 72 -11.020 -2.615 -0.512 1.00 0.15 H new ATOM 0 HA ILE A 72 -8.758 -3.889 0.871 1.00 0.14 H new ATOM 0 HB ILE A 72 -8.629 -1.542 -1.060 1.00 0.14 H new ATOM 0 HG12 ILE A 72 -7.259 -4.241 -0.887 1.00 0.16 H new ATOM 0 HG13 ILE A 72 -8.241 -3.606 -2.193 1.00 0.16 H new ATOM 0 HG21 ILE A 72 -6.299 -1.154 -0.375 1.00 0.14 H new ATOM 0 HG22 ILE A 72 -7.459 -0.830 0.936 1.00 0.14 H new ATOM 0 HG23 ILE A 72 -6.503 -2.331 0.945 1.00 0.14 H new ATOM 0 HD11 ILE A 72 -5.874 -3.623 -2.804 1.00 0.20 H new ATOM 0 HD12 ILE A 72 -6.488 -1.954 -2.726 1.00 0.20 H new ATOM 0 HD13 ILE A 72 -5.491 -2.598 -1.400 1.00 0.20 H new ATOM 1148 N ILE A 73 -8.767 -2.058 2.641 1.00 0.13 N ATOM 1149 CA ILE A 73 -8.876 -1.122 3.756 1.00 0.13 C ATOM 1150 C ILE A 73 -7.475 -0.750 4.223 1.00 0.13 C ATOM 1151 O ILE A 73 -6.754 -1.579 4.762 1.00 0.13 O ATOM 1152 CB ILE A 73 -9.663 -1.716 4.950 1.00 0.14 C ATOM 1153 CG1 ILE A 73 -11.153 -1.817 4.612 1.00 0.19 C ATOM 1154 CG2 ILE A 73 -9.448 -0.884 6.214 1.00 0.15 C ATOM 1155 CD1 ILE A 73 -11.822 -0.476 4.385 1.00 0.24 C ATOM 0 H ILE A 73 -8.010 -2.733 2.751 1.00 0.13 H new ATOM 0 HA ILE A 73 -9.422 -0.247 3.404 1.00 0.13 H new ATOM 0 HB ILE A 73 -9.285 -2.720 5.142 1.00 0.14 H new ATOM 0 HG12 ILE A 73 -11.272 -2.428 3.717 1.00 0.19 H new ATOM 0 HG13 ILE A 73 -11.665 -2.335 5.422 1.00 0.19 H new ATOM 0 HG21 ILE A 73 -10.011 -1.322 7.038 1.00 0.15 H new ATOM 0 HG22 ILE A 73 -8.387 -0.872 6.465 1.00 0.15 H new ATOM 0 HG23 ILE A 73 -9.792 0.136 6.041 1.00 0.15 H new ATOM 0 HD11 ILE A 73 -12.875 -0.630 4.151 1.00 0.24 H new ATOM 0 HD12 ILE A 73 -11.736 0.131 5.286 1.00 0.24 H new ATOM 0 HD13 ILE A 73 -11.337 0.037 3.555 1.00 0.24 H new ATOM 1167 N PRO A 74 -7.052 0.488 3.988 1.00 0.17 N ATOM 1168 CA PRO A 74 -5.710 0.930 4.306 1.00 0.18 C ATOM 1169 C PRO A 74 -5.579 1.594 5.680 1.00 0.17 C ATOM 1170 O PRO A 74 -6.095 2.686 5.905 1.00 0.19 O ATOM 1171 CB PRO A 74 -5.424 1.942 3.189 1.00 0.23 C ATOM 1172 CG PRO A 74 -6.760 2.314 2.599 1.00 0.31 C ATOM 1173 CD PRO A 74 -7.819 1.558 3.359 1.00 0.23 C ATOM 0 HA PRO A 74 -5.014 0.093 4.360 1.00 0.18 H new ATOM 0 HB2 PRO A 74 -4.915 2.822 3.583 1.00 0.23 H new ATOM 0 HB3 PRO A 74 -4.772 1.509 2.431 1.00 0.23 H new ATOM 0 HG2 PRO A 74 -6.927 3.388 2.676 1.00 0.31 H new ATOM 0 HG3 PRO A 74 -6.795 2.061 1.539 1.00 0.31 H new ATOM 0 HD2 PRO A 74 -8.317 2.188 4.096 1.00 0.23 H new ATOM 0 HD3 PRO A 74 -8.593 1.168 2.698 1.00 0.23 H new ATOM 1181 N SER A 75 -4.892 0.912 6.595 1.00 0.16 N ATOM 1182 CA SER A 75 -4.423 1.521 7.841 1.00 0.17 C ATOM 1183 C SER A 75 -3.212 2.398 7.513 1.00 0.16 C ATOM 1184 O SER A 75 -2.813 3.283 8.269 1.00 0.20 O ATOM 1185 CB SER A 75 -4.046 0.436 8.856 1.00 0.20 C ATOM 1186 OG SER A 75 -3.681 0.997 10.107 1.00 1.19 O ATOM 0 H SER A 75 -4.645 -0.073 6.496 1.00 0.16 H new ATOM 0 HA SER A 75 -5.212 2.128 8.285 1.00 0.17 H new ATOM 0 HB2 SER A 75 -4.887 -0.244 8.993 1.00 0.20 H new ATOM 0 HB3 SER A 75 -3.218 -0.156 8.466 1.00 0.20 H new ATOM 0 HG SER A 75 -3.448 0.279 10.732 1.00 1.19 H new ATOM 1192 N CYS A 76 -2.652 2.114 6.342 1.00 0.17 N ATOM 1193 CA CYS A 76 -1.653 2.923 5.658 1.00 0.17 C ATOM 1194 C CYS A 76 -2.152 4.342 5.344 1.00 0.16 C ATOM 1195 O CYS A 76 -1.568 5.022 4.506 1.00 0.20 O ATOM 1196 CB CYS A 76 -1.221 2.209 4.386 1.00 0.25 C ATOM 1197 SG CYS A 76 -0.424 0.622 4.686 1.00 0.90 S ATOM 0 H CYS A 76 -2.895 1.272 5.820 1.00 0.17 H new ATOM 0 HA CYS A 76 -0.801 3.042 6.327 1.00 0.17 H new ATOM 0 HB2 CYS A 76 -2.094 2.054 3.752 1.00 0.25 H new ATOM 0 HB3 CYS A 76 -0.536 2.852 3.833 1.00 0.25 H new ATOM 0 HG CYS A 76 0.866 0.781 4.707 1.00 0.90 H new ATOM 1203 N SER A 77 -3.277 4.730 5.954 1.00 0.20 N ATOM 1204 CA SER A 77 -4.049 5.926 5.601 1.00 0.25 C ATOM 1205 C SER A 77 -3.218 7.215 5.475 1.00 0.24 C ATOM 1206 O SER A 77 -3.751 8.235 5.051 1.00 0.26 O ATOM 1207 CB SER A 77 -5.128 6.142 6.659 1.00 0.34 C ATOM 1208 OG SER A 77 -5.584 4.905 7.183 1.00 0.71 O ATOM 0 H SER A 77 -3.687 4.207 6.728 1.00 0.20 H new ATOM 0 HA SER A 77 -4.466 5.736 4.612 1.00 0.25 H new ATOM 0 HB2 SER A 77 -4.732 6.759 7.466 1.00 0.34 H new ATOM 0 HB3 SER A 77 -5.965 6.687 6.223 1.00 0.34 H new ATOM 0 HG SER A 77 -5.822 4.305 6.445 1.00 0.71 H new ATOM 1214 N TYR A 78 -1.937 7.186 5.837 1.00 0.23 N ATOM 1215 CA TYR A 78 -1.028 8.262 5.451 1.00 0.24 C ATOM 1216 C TYR A 78 -1.046 8.385 3.927 1.00 0.20 C ATOM 1217 O TYR A 78 -1.198 9.474 3.374 1.00 0.21 O ATOM 1218 CB TYR A 78 0.403 7.972 5.945 1.00 0.27 C ATOM 1219 CG TYR A 78 1.489 8.354 4.951 1.00 0.24 C ATOM 1220 CD1 TYR A 78 1.942 9.665 4.873 1.00 0.24 C ATOM 1221 CD2 TYR A 78 2.075 7.410 4.113 1.00 0.26 C ATOM 1222 CE1 TYR A 78 2.943 10.032 3.995 1.00 0.25 C ATOM 1223 CE2 TYR A 78 3.077 7.770 3.227 1.00 0.27 C ATOM 1224 CZ TYR A 78 3.447 9.028 3.086 1.00 0.25 C ATOM 1225 OH TYR A 78 4.508 9.442 2.298 1.00 0.30 O ATOM 0 H TYR A 78 -1.510 6.441 6.388 1.00 0.23 H new ATOM 0 HA TYR A 78 -1.354 9.197 5.907 1.00 0.24 H new ATOM 0 HB2 TYR A 78 0.571 8.512 6.877 1.00 0.27 H new ATOM 0 HB3 TYR A 78 0.490 6.909 6.172 1.00 0.27 H new ATOM 0 HD1 TYR A 78 1.501 10.414 5.514 1.00 0.24 H new ATOM 0 HD2 TYR A 78 1.744 6.383 4.154 1.00 0.26 H new ATOM 0 HE1 TYR A 78 3.337 11.038 3.988 1.00 0.25 H new ATOM 0 HE2 TYR A 78 3.565 7.006 2.640 1.00 0.27 H new ATOM 0 HH TYR A 78 4.789 8.706 1.715 1.00 0.30 H new ATOM 1235 N VAL A 79 -0.920 7.239 3.268 1.00 0.18 N ATOM 1236 CA VAL A 79 -0.992 7.159 1.823 1.00 0.17 C ATOM 1237 C VAL A 79 -2.394 7.504 1.373 1.00 0.18 C ATOM 1238 O VAL A 79 -2.589 8.278 0.449 1.00 0.19 O ATOM 1239 CB VAL A 79 -0.649 5.745 1.308 1.00 0.18 C ATOM 1240 CG1 VAL A 79 -0.713 5.714 -0.211 1.00 0.20 C ATOM 1241 CG2 VAL A 79 0.719 5.302 1.798 1.00 0.18 C ATOM 0 H VAL A 79 -0.765 6.341 3.726 1.00 0.18 H new ATOM 0 HA VAL A 79 -0.265 7.862 1.417 1.00 0.17 H new ATOM 0 HB VAL A 79 -1.385 5.046 1.705 1.00 0.18 H new ATOM 0 HG11 VAL A 79 -0.469 4.712 -0.565 1.00 0.20 H new ATOM 0 HG12 VAL A 79 -1.718 5.980 -0.538 1.00 0.20 H new ATOM 0 HG13 VAL A 79 0.003 6.427 -0.620 1.00 0.20 H new ATOM 0 HG21 VAL A 79 0.935 4.303 1.420 1.00 0.18 H new ATOM 0 HG22 VAL A 79 1.477 5.997 1.438 1.00 0.18 H new ATOM 0 HG23 VAL A 79 0.728 5.288 2.888 1.00 0.18 H new ATOM 1251 N SER A 80 -3.362 6.935 2.061 1.00 0.20 N ATOM 1252 CA SER A 80 -4.761 7.115 1.712 1.00 0.25 C ATOM 1253 C SER A 80 -5.155 8.588 1.719 1.00 0.23 C ATOM 1254 O SER A 80 -5.852 9.063 0.827 1.00 0.23 O ATOM 1255 CB SER A 80 -5.626 6.340 2.699 1.00 0.36 C ATOM 1256 OG SER A 80 -5.128 5.027 2.869 1.00 0.99 O ATOM 0 H SER A 80 -3.206 6.338 2.873 1.00 0.20 H new ATOM 0 HA SER A 80 -4.916 6.737 0.701 1.00 0.25 H new ATOM 0 HB2 SER A 80 -5.644 6.856 3.659 1.00 0.36 H new ATOM 0 HB3 SER A 80 -6.654 6.302 2.339 1.00 0.36 H new ATOM 0 HG SER A 80 -5.135 4.560 2.007 1.00 0.99 H new ATOM 1262 N ASP A 81 -4.676 9.307 2.713 1.00 0.24 N ATOM 1263 CA ASP A 81 -5.075 10.690 2.926 1.00 0.25 C ATOM 1264 C ASP A 81 -4.520 11.616 1.846 1.00 0.25 C ATOM 1265 O ASP A 81 -5.237 12.463 1.325 1.00 0.27 O ATOM 1266 CB ASP A 81 -4.599 11.162 4.302 1.00 0.31 C ATOM 1267 CG ASP A 81 -4.848 12.637 4.543 1.00 0.38 C ATOM 1268 OD1 ASP A 81 -5.958 12.991 4.998 1.00 0.48 O ATOM 1269 OD2 ASP A 81 -3.927 13.443 4.298 1.00 0.47 O ATOM 0 H ASP A 81 -4.003 8.956 3.394 1.00 0.24 H new ATOM 0 HA ASP A 81 -6.163 10.731 2.874 1.00 0.25 H new ATOM 0 HB2 ASP A 81 -5.106 10.583 5.074 1.00 0.31 H new ATOM 0 HB3 ASP A 81 -3.533 10.959 4.400 1.00 0.31 H new ATOM 1274 N THR A 82 -3.232 11.493 1.558 1.00 0.23 N ATOM 1275 CA THR A 82 -2.599 12.335 0.544 1.00 0.25 C ATOM 1276 C THR A 82 -2.696 11.731 -0.867 1.00 0.22 C ATOM 1277 O THR A 82 -3.148 12.385 -1.809 1.00 0.23 O ATOM 1278 CB THR A 82 -1.118 12.651 0.898 1.00 0.28 C ATOM 1279 OG1 THR A 82 -0.526 13.470 -0.119 1.00 0.31 O ATOM 1280 CG2 THR A 82 -0.291 11.385 1.073 1.00 0.26 C ATOM 0 H THR A 82 -2.606 10.824 2.007 1.00 0.23 H new ATOM 0 HA THR A 82 -3.157 13.271 0.540 1.00 0.25 H new ATOM 0 HB THR A 82 -1.122 13.186 1.847 1.00 0.28 H new ATOM 0 HG1 THR A 82 0.405 13.663 0.117 1.00 0.31 H new ATOM 0 HG21 THR A 82 0.736 11.653 1.319 1.00 0.26 H new ATOM 0 HG22 THR A 82 -0.712 10.784 1.879 1.00 0.26 H new ATOM 0 HG23 THR A 82 -0.304 10.811 0.147 1.00 0.26 H new ATOM 1288 N PHE A 83 -2.280 10.477 -1.004 1.00 0.19 N ATOM 1289 CA PHE A 83 -2.092 9.863 -2.313 1.00 0.19 C ATOM 1290 C PHE A 83 -3.405 9.508 -2.997 1.00 0.19 C ATOM 1291 O PHE A 83 -3.517 9.622 -4.214 1.00 0.21 O ATOM 1292 CB PHE A 83 -1.241 8.612 -2.178 1.00 0.18 C ATOM 1293 CG PHE A 83 -0.383 8.336 -3.379 1.00 0.80 C ATOM 1294 CD1 PHE A 83 0.510 9.292 -3.838 1.00 0.81 C ATOM 1295 CD2 PHE A 83 -0.472 7.130 -4.051 1.00 1.54 C ATOM 1296 CE1 PHE A 83 1.300 9.047 -4.946 1.00 1.50 C ATOM 1297 CE2 PHE A 83 0.314 6.881 -5.161 1.00 2.25 C ATOM 1298 CZ PHE A 83 1.201 7.841 -5.608 1.00 2.24 C ATOM 0 H PHE A 83 -2.065 9.862 -0.219 1.00 0.19 H new ATOM 0 HA PHE A 83 -1.591 10.602 -2.938 1.00 0.19 H new ATOM 0 HB2 PHE A 83 -0.602 8.710 -1.300 1.00 0.18 H new ATOM 0 HB3 PHE A 83 -1.893 7.756 -2.003 1.00 0.18 H new ATOM 0 HD1 PHE A 83 0.589 10.239 -3.324 1.00 0.81 H new ATOM 0 HD2 PHE A 83 -1.163 6.375 -3.705 1.00 1.54 H new ATOM 0 HE1 PHE A 83 1.994 9.799 -5.293 1.00 1.50 H new ATOM 0 HE2 PHE A 83 0.234 5.936 -5.678 1.00 2.25 H new ATOM 0 HZ PHE A 83 1.816 7.648 -6.474 1.00 2.24 H new ATOM 1308 N LEU A 84 -4.390 9.063 -2.232 1.00 0.18 N ATOM 1309 CA LEU A 84 -5.657 8.641 -2.830 1.00 0.19 C ATOM 1310 C LEU A 84 -6.420 9.805 -3.466 1.00 0.22 C ATOM 1311 O LEU A 84 -6.981 9.644 -4.543 1.00 0.26 O ATOM 1312 CB LEU A 84 -6.521 7.898 -1.819 1.00 0.20 C ATOM 1313 CG LEU A 84 -6.122 6.437 -1.613 1.00 0.25 C ATOM 1314 CD1 LEU A 84 -6.870 5.833 -0.450 1.00 0.35 C ATOM 1315 CD2 LEU A 84 -6.394 5.634 -2.871 1.00 0.34 C ATOM 0 H LEU A 84 -4.344 8.984 -1.216 1.00 0.18 H new ATOM 0 HA LEU A 84 -5.411 7.951 -3.637 1.00 0.19 H new ATOM 0 HB2 LEU A 84 -6.469 8.416 -0.862 1.00 0.20 H new ATOM 0 HB3 LEU A 84 -7.560 7.937 -2.146 1.00 0.20 H new ATOM 0 HG LEU A 84 -5.055 6.407 -1.393 1.00 0.25 H new ATOM 0 HD11 LEU A 84 -6.569 4.793 -0.324 1.00 0.35 H new ATOM 0 HD12 LEU A 84 -6.641 6.390 0.459 1.00 0.35 H new ATOM 0 HD13 LEU A 84 -7.942 5.879 -0.643 1.00 0.35 H new ATOM 0 HD21 LEU A 84 -6.105 4.596 -2.709 1.00 0.34 H new ATOM 0 HD22 LEU A 84 -7.456 5.682 -3.111 1.00 0.34 H new ATOM 0 HD23 LEU A 84 -5.816 6.047 -3.698 1.00 0.34 H new ATOM 1327 N PRO A 85 -6.476 10.990 -2.828 1.00 0.22 N ATOM 1328 CA PRO A 85 -7.008 12.189 -3.480 1.00 0.26 C ATOM 1329 C PRO A 85 -6.153 12.602 -4.675 1.00 0.28 C ATOM 1330 O PRO A 85 -6.634 13.240 -5.614 1.00 0.33 O ATOM 1331 CB PRO A 85 -6.946 13.266 -2.393 1.00 0.28 C ATOM 1332 CG PRO A 85 -6.833 12.522 -1.114 1.00 0.30 C ATOM 1333 CD PRO A 85 -6.101 11.250 -1.432 1.00 0.22 C ATOM 0 HA PRO A 85 -8.014 12.027 -3.868 1.00 0.26 H new ATOM 0 HB2 PRO A 85 -6.092 13.926 -2.541 1.00 0.28 H new ATOM 0 HB3 PRO A 85 -7.839 13.892 -2.407 1.00 0.28 H new ATOM 0 HG2 PRO A 85 -6.292 13.107 -0.370 1.00 0.30 H new ATOM 0 HG3 PRO A 85 -7.818 12.311 -0.698 1.00 0.30 H new ATOM 0 HD2 PRO A 85 -5.023 11.366 -1.319 1.00 0.22 H new ATOM 0 HD3 PRO A 85 -6.404 10.435 -0.775 1.00 0.22 H new ATOM 1341 N ARG A 86 -4.876 12.234 -4.625 1.00 0.27 N ATOM 1342 CA ARG A 86 -3.934 12.546 -5.692 1.00 0.31 C ATOM 1343 C ARG A 86 -4.232 11.703 -6.935 1.00 0.35 C ATOM 1344 O ARG A 86 -4.057 12.161 -8.064 1.00 0.48 O ATOM 1345 CB ARG A 86 -2.500 12.312 -5.198 1.00 0.33 C ATOM 1346 CG ARG A 86 -1.426 12.891 -6.100 1.00 0.75 C ATOM 1347 CD ARG A 86 -0.049 12.715 -5.483 1.00 0.72 C ATOM 1348 NE ARG A 86 0.970 13.524 -6.148 1.00 1.43 N ATOM 1349 CZ ARG A 86 1.852 14.287 -5.498 1.00 1.69 C ATOM 1350 NH1 ARG A 86 1.849 14.332 -4.170 1.00 1.44 N ATOM 1351 NH2 ARG A 86 2.740 15.006 -6.175 1.00 2.56 N ATOM 0 H ARG A 86 -4.468 11.714 -3.848 1.00 0.27 H new ATOM 0 HA ARG A 86 -4.041 13.595 -5.969 1.00 0.31 H new ATOM 0 HB2 ARG A 86 -2.396 12.746 -4.204 1.00 0.33 H new ATOM 0 HB3 ARG A 86 -2.334 11.240 -5.097 1.00 0.33 H new ATOM 0 HG2 ARG A 86 -1.459 12.400 -7.073 1.00 0.75 H new ATOM 0 HG3 ARG A 86 -1.620 13.950 -6.270 1.00 0.75 H new ATOM 0 HD2 ARG A 86 -0.090 12.984 -4.428 1.00 0.72 H new ATOM 0 HD3 ARG A 86 0.236 11.664 -5.533 1.00 0.72 H new ATOM 0 HE ARG A 86 1.010 13.505 -7.167 1.00 1.43 H new ATOM 0 HH11 ARG A 86 1.171 13.782 -3.643 1.00 1.44 H new ATOM 0 HH12 ARG A 86 2.525 14.916 -3.678 1.00 1.44 H new ATOM 0 HH21 ARG A 86 2.750 14.976 -7.195 1.00 2.56 H new ATOM 0 HH22 ARG A 86 3.412 15.588 -5.675 1.00 2.56 H new ATOM 1365 N ASN A 87 -4.683 10.473 -6.716 1.00 0.30 N ATOM 1366 CA ASN A 87 -5.136 9.610 -7.804 1.00 0.37 C ATOM 1367 C ASN A 87 -6.276 8.710 -7.328 1.00 0.34 C ATOM 1368 O ASN A 87 -6.064 7.590 -6.868 1.00 0.35 O ATOM 1369 CB ASN A 87 -3.977 8.784 -8.405 1.00 0.50 C ATOM 1370 CG ASN A 87 -3.178 7.991 -7.380 1.00 0.95 C ATOM 1371 OD1 ASN A 87 -3.468 6.825 -7.099 1.00 1.78 O ATOM 1372 ND2 ASN A 87 -2.145 8.609 -6.831 1.00 1.22 N ATOM 0 H ASN A 87 -4.745 10.048 -5.791 1.00 0.30 H new ATOM 0 HA ASN A 87 -5.513 10.248 -8.603 1.00 0.37 H new ATOM 0 HB2 ASN A 87 -4.383 8.094 -9.145 1.00 0.50 H new ATOM 0 HB3 ASN A 87 -3.302 9.457 -8.933 1.00 0.50 H new ATOM 0 HD21 ASN A 87 -1.560 8.121 -6.153 1.00 1.22 H new ATOM 0 HD22 ASN A 87 -1.933 9.574 -7.086 1.00 1.22 H new ATOM 1379 N PRO A 88 -7.519 9.218 -7.402 1.00 0.38 N ATOM 1380 CA PRO A 88 -8.703 8.508 -6.920 1.00 0.42 C ATOM 1381 C PRO A 88 -9.136 7.398 -7.870 1.00 0.49 C ATOM 1382 O PRO A 88 -10.134 7.521 -8.581 1.00 0.89 O ATOM 1383 CB PRO A 88 -9.783 9.602 -6.846 1.00 0.53 C ATOM 1384 CG PRO A 88 -9.083 10.890 -7.137 1.00 0.51 C ATOM 1385 CD PRO A 88 -7.875 10.527 -7.948 1.00 0.46 C ATOM 0 HA PRO A 88 -8.517 8.015 -5.966 1.00 0.42 H new ATOM 0 HB2 PRO A 88 -10.577 9.417 -7.570 1.00 0.53 H new ATOM 0 HB3 PRO A 88 -10.249 9.625 -5.861 1.00 0.53 H new ATOM 0 HG2 PRO A 88 -9.732 11.572 -7.687 1.00 0.51 H new ATOM 0 HG3 PRO A 88 -8.797 11.396 -6.215 1.00 0.51 H new ATOM 0 HD2 PRO A 88 -8.100 10.476 -9.013 1.00 0.46 H new ATOM 0 HD3 PRO A 88 -7.070 11.252 -7.826 1.00 0.46 H new ATOM 1393 N SER A 89 -8.380 6.316 -7.882 1.00 0.30 N ATOM 1394 CA SER A 89 -8.643 5.216 -8.792 1.00 0.36 C ATOM 1395 C SER A 89 -8.888 3.929 -8.008 1.00 0.34 C ATOM 1396 O SER A 89 -9.032 2.851 -8.583 1.00 0.42 O ATOM 1397 CB SER A 89 -7.448 5.054 -9.740 1.00 0.44 C ATOM 1398 OG SER A 89 -7.758 4.226 -10.851 1.00 1.37 O ATOM 0 H SER A 89 -7.576 6.175 -7.270 1.00 0.30 H new ATOM 0 HA SER A 89 -9.538 5.430 -9.377 1.00 0.36 H new ATOM 0 HB2 SER A 89 -7.132 6.035 -10.096 1.00 0.44 H new ATOM 0 HB3 SER A 89 -6.607 4.627 -9.193 1.00 0.44 H new ATOM 0 HG SER A 89 -8.275 3.451 -10.547 1.00 1.37 H new ATOM 1404 N TRP A 90 -8.958 4.051 -6.686 1.00 0.30 N ATOM 1405 CA TRP A 90 -9.019 2.878 -5.826 1.00 0.28 C ATOM 1406 C TRP A 90 -10.197 2.975 -4.861 1.00 0.32 C ATOM 1407 O TRP A 90 -10.307 2.195 -3.913 1.00 0.33 O ATOM 1408 CB TRP A 90 -7.710 2.742 -5.043 1.00 0.29 C ATOM 1409 CG TRP A 90 -6.487 3.067 -5.854 1.00 0.30 C ATOM 1410 CD1 TRP A 90 -5.713 4.184 -5.740 1.00 0.35 C ATOM 1411 CD2 TRP A 90 -5.906 2.286 -6.908 1.00 0.30 C ATOM 1412 NE1 TRP A 90 -4.686 4.147 -6.645 1.00 0.38 N ATOM 1413 CE2 TRP A 90 -4.781 2.992 -7.377 1.00 0.35 C ATOM 1414 CE3 TRP A 90 -6.224 1.059 -7.498 1.00 0.29 C ATOM 1415 CZ2 TRP A 90 -3.975 2.511 -8.407 1.00 0.39 C ATOM 1416 CZ3 TRP A 90 -5.423 0.584 -8.521 1.00 0.34 C ATOM 1417 CH2 TRP A 90 -4.312 1.308 -8.965 1.00 0.38 C ATOM 0 H TRP A 90 -8.974 4.943 -6.192 1.00 0.30 H new ATOM 0 HA TRP A 90 -9.160 1.996 -6.451 1.00 0.28 H new ATOM 0 HB2 TRP A 90 -7.746 3.400 -4.175 1.00 0.29 H new ATOM 0 HB3 TRP A 90 -7.626 1.723 -4.667 1.00 0.29 H new ATOM 0 HD1 TRP A 90 -5.886 4.984 -5.036 1.00 0.35 H new ATOM 0 HE1 TRP A 90 -3.967 4.862 -6.756 1.00 0.38 H new ATOM 0 HE3 TRP A 90 -7.079 0.492 -7.161 1.00 0.29 H new ATOM 0 HZ2 TRP A 90 -3.116 3.067 -8.752 1.00 0.39 H new ATOM 0 HZ3 TRP A 90 -5.660 -0.362 -8.985 1.00 0.34 H new ATOM 0 HH2 TRP A 90 -3.707 0.909 -9.766 1.00 0.38 H new ATOM 1428 N LYS A 91 -11.088 3.924 -5.126 1.00 0.37 N ATOM 1429 CA LYS A 91 -12.252 4.149 -4.272 1.00 0.43 C ATOM 1430 C LYS A 91 -13.176 2.922 -4.205 1.00 0.41 C ATOM 1431 O LYS A 91 -13.605 2.548 -3.115 1.00 0.42 O ATOM 1432 CB LYS A 91 -13.038 5.384 -4.732 1.00 0.55 C ATOM 1433 CG LYS A 91 -12.258 6.682 -4.594 1.00 1.20 C ATOM 1434 CD LYS A 91 -13.145 7.899 -4.820 1.00 1.38 C ATOM 1435 CE LYS A 91 -12.395 9.191 -4.531 1.00 1.83 C ATOM 1436 NZ LYS A 91 -13.294 10.376 -4.545 1.00 2.61 N ATOM 0 H LYS A 91 -11.027 4.552 -5.927 1.00 0.37 H new ATOM 0 HA LYS A 91 -11.873 4.325 -3.265 1.00 0.43 H new ATOM 0 HB2 LYS A 91 -13.329 5.253 -5.774 1.00 0.55 H new ATOM 0 HB3 LYS A 91 -13.957 5.458 -4.151 1.00 0.55 H new ATOM 0 HG2 LYS A 91 -11.813 6.735 -3.600 1.00 1.20 H new ATOM 0 HG3 LYS A 91 -11.437 6.691 -5.311 1.00 1.20 H new ATOM 0 HD2 LYS A 91 -13.502 7.906 -5.850 1.00 1.38 H new ATOM 0 HD3 LYS A 91 -14.024 7.835 -4.179 1.00 1.38 H new ATOM 0 HE2 LYS A 91 -11.909 9.117 -3.558 1.00 1.83 H new ATOM 0 HE3 LYS A 91 -11.607 9.326 -5.272 1.00 1.83 H new ATOM 0 HZ1 LYS A 91 -12.741 11.234 -4.344 1.00 2.61 H new ATOM 0 HZ2 LYS A 91 -13.739 10.463 -5.481 1.00 2.61 H new ATOM 0 HZ3 LYS A 91 -14.031 10.261 -3.820 1.00 2.61 H new ATOM 1450 N PRO A 92 -13.496 2.267 -5.352 1.00 0.41 N ATOM 1451 CA PRO A 92 -14.351 1.063 -5.364 1.00 0.42 C ATOM 1452 C PRO A 92 -13.820 -0.082 -4.502 1.00 0.38 C ATOM 1453 O PRO A 92 -14.534 -1.049 -4.231 1.00 0.48 O ATOM 1454 CB PRO A 92 -14.366 0.645 -6.836 1.00 0.46 C ATOM 1455 CG PRO A 92 -14.078 1.894 -7.582 1.00 0.69 C ATOM 1456 CD PRO A 92 -13.115 2.660 -6.724 1.00 0.43 C ATOM 0 HA PRO A 92 -15.333 1.285 -4.946 1.00 0.42 H new ATOM 0 HB2 PRO A 92 -13.616 -0.120 -7.039 1.00 0.46 H new ATOM 0 HB3 PRO A 92 -15.332 0.227 -7.120 1.00 0.46 H new ATOM 0 HG2 PRO A 92 -13.646 1.677 -8.559 1.00 0.69 H new ATOM 0 HG3 PRO A 92 -14.989 2.466 -7.756 1.00 0.69 H new ATOM 0 HD2 PRO A 92 -12.081 2.396 -6.946 1.00 0.43 H new ATOM 0 HD3 PRO A 92 -13.209 3.735 -6.875 1.00 0.43 H new ATOM 1464 N LEU A 93 -12.575 0.023 -4.075 1.00 0.30 N ATOM 1465 CA LEU A 93 -11.955 -1.026 -3.286 1.00 0.26 C ATOM 1466 C LEU A 93 -12.111 -0.736 -1.806 1.00 0.22 C ATOM 1467 O LEU A 93 -12.357 -1.634 -1.003 1.00 0.21 O ATOM 1468 CB LEU A 93 -10.472 -1.108 -3.621 1.00 0.25 C ATOM 1469 CG LEU A 93 -10.155 -1.097 -5.109 1.00 0.25 C ATOM 1470 CD1 LEU A 93 -8.665 -0.908 -5.323 1.00 0.26 C ATOM 1471 CD2 LEU A 93 -10.631 -2.381 -5.767 1.00 0.26 C ATOM 0 H LEU A 93 -11.973 0.825 -4.261 1.00 0.30 H new ATOM 0 HA LEU A 93 -12.443 -1.972 -3.520 1.00 0.26 H new ATOM 0 HB2 LEU A 93 -9.960 -0.270 -3.148 1.00 0.25 H new ATOM 0 HB3 LEU A 93 -10.064 -2.019 -3.183 1.00 0.25 H new ATOM 0 HG LEU A 93 -10.683 -0.263 -5.572 1.00 0.25 H new ATOM 0 HD11 LEU A 93 -8.449 -0.902 -6.391 1.00 0.26 H new ATOM 0 HD12 LEU A 93 -8.352 0.039 -4.884 1.00 0.26 H new ATOM 0 HD13 LEU A 93 -8.123 -1.725 -4.848 1.00 0.26 H new ATOM 0 HD21 LEU A 93 -10.395 -2.354 -6.831 1.00 0.26 H new ATOM 0 HD22 LEU A 93 -10.131 -3.233 -5.306 1.00 0.26 H new ATOM 0 HD23 LEU A 93 -11.709 -2.479 -5.637 1.00 0.26 H new ATOM 1483 N ILE A 94 -11.984 0.529 -1.460 1.00 0.27 N ATOM 1484 CA ILE A 94 -11.892 0.939 -0.074 1.00 0.22 C ATOM 1485 C ILE A 94 -13.058 1.838 0.315 1.00 0.27 C ATOM 1486 O ILE A 94 -14.129 1.780 -0.289 1.00 0.36 O ATOM 1487 CB ILE A 94 -10.577 1.705 0.166 1.00 0.25 C ATOM 1488 CG1 ILE A 94 -10.545 2.981 -0.666 1.00 0.39 C ATOM 1489 CG2 ILE A 94 -9.381 0.839 -0.183 1.00 0.27 C ATOM 1490 CD1 ILE A 94 -9.295 3.786 -0.453 1.00 0.75 C ATOM 0 H ILE A 94 -11.942 1.298 -2.128 1.00 0.27 H new ATOM 0 HA ILE A 94 -11.919 0.037 0.538 1.00 0.22 H new ATOM 0 HB ILE A 94 -10.527 1.966 1.223 1.00 0.25 H new ATOM 0 HG12 ILE A 94 -10.629 2.723 -1.722 1.00 0.39 H new ATOM 0 HG13 ILE A 94 -11.412 3.593 -0.417 1.00 0.39 H new ATOM 0 HG21 ILE A 94 -8.463 1.399 -0.006 1.00 0.27 H new ATOM 0 HG22 ILE A 94 -9.386 -0.056 0.439 1.00 0.27 H new ATOM 0 HG23 ILE A 94 -9.434 0.551 -1.233 1.00 0.27 H new ATOM 0 HD11 ILE A 94 -9.330 4.683 -1.072 1.00 0.75 H new ATOM 0 HD12 ILE A 94 -9.221 4.072 0.596 1.00 0.75 H new ATOM 0 HD13 ILE A 94 -8.426 3.188 -0.728 1.00 0.75 H new ATOM 1502 N HIS A 95 -12.843 2.642 1.353 1.00 0.31 N ATOM 1503 CA HIS A 95 -13.781 3.684 1.725 1.00 0.43 C ATOM 1504 C HIS A 95 -13.825 4.759 0.637 1.00 0.39 C ATOM 1505 O HIS A 95 -14.851 4.947 -0.014 1.00 0.55 O ATOM 1506 CB HIS A 95 -13.382 4.292 3.073 1.00 0.64 C ATOM 1507 CG HIS A 95 -13.619 3.378 4.237 1.00 1.05 C ATOM 1508 ND1 HIS A 95 -12.794 3.327 5.340 1.00 2.01 N ATOM 1509 CD2 HIS A 95 -14.613 2.489 4.473 1.00 1.22 C ATOM 1510 CE1 HIS A 95 -13.272 2.450 6.203 1.00 2.24 C ATOM 1511 NE2 HIS A 95 -14.374 1.930 5.700 1.00 1.70 N ATOM 0 H HIS A 95 -12.019 2.586 1.952 1.00 0.31 H new ATOM 0 HA HIS A 95 -14.777 3.252 1.824 1.00 0.43 H new ATOM 0 HB2 HIS A 95 -12.326 4.561 3.042 1.00 0.64 H new ATOM 0 HB3 HIS A 95 -13.942 5.214 3.226 1.00 0.64 H new ATOM 0 HD2 HIS A 95 -15.440 2.263 3.816 1.00 1.22 H new ATOM 0 HE1 HIS A 95 -12.835 2.201 7.159 1.00 2.24 H new ATOM 0 HE2 HIS A 95 -14.955 1.224 6.152 1.00 1.70 H new ATOM 1520 N SER A 96 -12.699 5.450 0.443 1.00 0.41 N ATOM 1521 CA SER A 96 -12.558 6.436 -0.629 1.00 0.49 C ATOM 1522 C SER A 96 -11.131 6.983 -0.635 1.00 0.67 C ATOM 1523 O SER A 96 -10.346 6.682 -1.532 1.00 1.53 O ATOM 1524 CB SER A 96 -13.576 7.571 -0.450 1.00 0.51 C ATOM 1525 OG SER A 96 -13.629 8.411 -1.587 1.00 1.43 O ATOM 0 H SER A 96 -11.865 5.342 1.021 1.00 0.41 H new ATOM 0 HA SER A 96 -12.756 5.956 -1.587 1.00 0.49 H new ATOM 0 HB2 SER A 96 -14.563 7.148 -0.264 1.00 0.51 H new ATOM 0 HB3 SER A 96 -13.312 8.162 0.427 1.00 0.51 H new ATOM 0 HG SER A 96 -13.073 9.204 -1.434 1.00 1.43 H new ATOM 1531 N GLU A 97 -10.800 7.784 0.374 1.00 0.58 N ATOM 1532 CA GLU A 97 -9.444 8.228 0.583 1.00 0.52 C ATOM 1533 C GLU A 97 -8.988 7.778 1.967 1.00 0.61 C ATOM 1534 O GLU A 97 -8.972 6.583 2.257 1.00 0.83 O ATOM 1535 CB GLU A 97 -9.343 9.750 0.424 1.00 0.47 C ATOM 1536 CG GLU A 97 -9.381 10.215 -1.023 1.00 1.09 C ATOM 1537 CD GLU A 97 -10.721 10.790 -1.419 1.00 1.52 C ATOM 1538 OE1 GLU A 97 -11.663 10.007 -1.647 1.00 1.89 O ATOM 1539 OE2 GLU A 97 -10.835 12.024 -1.519 1.00 1.79 O ATOM 0 H GLU A 97 -11.467 8.136 1.061 1.00 0.58 H new ATOM 0 HA GLU A 97 -8.789 7.785 -0.167 1.00 0.52 H new ATOM 0 HB2 GLU A 97 -10.162 10.219 0.969 1.00 0.47 H new ATOM 0 HB3 GLU A 97 -8.416 10.094 0.883 1.00 0.47 H new ATOM 0 HG2 GLU A 97 -8.608 10.967 -1.178 1.00 1.09 H new ATOM 0 HG3 GLU A 97 -9.144 9.375 -1.676 1.00 1.09 H new ATOM 1546 N VAL A 98 -8.645 8.727 2.827 1.00 0.58 N ATOM 1547 CA VAL A 98 -8.243 8.406 4.189 1.00 0.73 C ATOM 1548 C VAL A 98 -9.407 7.843 5.017 1.00 1.10 C ATOM 1549 O VAL A 98 -9.292 6.761 5.591 1.00 1.50 O ATOM 1550 CB VAL A 98 -7.629 9.635 4.897 1.00 0.62 C ATOM 1551 CG1 VAL A 98 -8.530 10.855 4.772 1.00 0.72 C ATOM 1552 CG2 VAL A 98 -7.339 9.328 6.357 1.00 0.79 C ATOM 0 H VAL A 98 -8.637 9.723 2.606 1.00 0.58 H new ATOM 0 HA VAL A 98 -7.481 7.630 4.115 1.00 0.73 H new ATOM 0 HB VAL A 98 -6.686 9.866 4.401 1.00 0.62 H new ATOM 0 HG11 VAL A 98 -8.069 11.702 5.281 1.00 0.72 H new ATOM 0 HG12 VAL A 98 -8.670 11.097 3.719 1.00 0.72 H new ATOM 0 HG13 VAL A 98 -9.497 10.641 5.227 1.00 0.72 H new ATOM 0 HG21 VAL A 98 -6.907 10.207 6.835 1.00 0.79 H new ATOM 0 HG22 VAL A 98 -8.266 9.058 6.863 1.00 0.79 H new ATOM 0 HG23 VAL A 98 -6.635 8.498 6.421 1.00 0.79 H new ATOM 1562 N PHE A 99 -10.533 8.559 5.056 1.00 1.35 N ATOM 1563 CA PHE A 99 -11.658 8.165 5.907 1.00 1.84 C ATOM 1564 C PHE A 99 -12.886 9.044 5.655 1.00 1.68 C ATOM 1565 O PHE A 99 -13.989 8.722 6.101 1.00 2.21 O ATOM 1566 CB PHE A 99 -11.243 8.261 7.383 1.00 2.46 C ATOM 1567 CG PHE A 99 -12.284 7.781 8.356 1.00 3.26 C ATOM 1568 CD1 PHE A 99 -12.573 6.430 8.473 1.00 3.94 C ATOM 1569 CD2 PHE A 99 -12.966 8.682 9.160 1.00 3.78 C ATOM 1570 CE1 PHE A 99 -13.525 5.987 9.371 1.00 5.00 C ATOM 1571 CE2 PHE A 99 -13.920 8.244 10.059 1.00 4.85 C ATOM 1572 CZ PHE A 99 -14.199 6.894 10.165 1.00 5.42 C ATOM 0 H PHE A 99 -10.690 9.408 4.513 1.00 1.35 H new ATOM 0 HA PHE A 99 -11.926 7.137 5.663 1.00 1.84 H new ATOM 0 HB2 PHE A 99 -10.332 7.681 7.530 1.00 2.46 H new ATOM 0 HB3 PHE A 99 -11.001 9.299 7.612 1.00 2.46 H new ATOM 0 HD1 PHE A 99 -12.048 5.716 7.855 1.00 3.94 H new ATOM 0 HD2 PHE A 99 -12.749 9.737 9.083 1.00 3.78 H new ATOM 0 HE1 PHE A 99 -13.742 4.932 9.452 1.00 5.00 H new ATOM 0 HE2 PHE A 99 -14.447 8.955 10.678 1.00 4.85 H new ATOM 0 HZ PHE A 99 -14.943 6.549 10.868 1.00 5.42 H new ATOM 1582 N LYS A 100 -12.684 10.138 4.918 1.00 1.18 N ATOM 1583 CA LYS A 100 -13.728 11.142 4.677 1.00 1.33 C ATOM 1584 C LYS A 100 -15.055 10.521 4.232 1.00 1.40 C ATOM 1585 O LYS A 100 -16.124 10.943 4.668 1.00 2.17 O ATOM 1586 CB LYS A 100 -13.230 12.181 3.659 1.00 1.40 C ATOM 1587 CG LYS A 100 -12.168 11.659 2.688 1.00 1.30 C ATOM 1588 CD LYS A 100 -12.768 10.899 1.516 1.00 1.47 C ATOM 1589 CE LYS A 100 -13.585 11.805 0.606 1.00 2.02 C ATOM 1590 NZ LYS A 100 -12.778 12.910 0.018 1.00 2.63 N ATOM 0 H LYS A 100 -11.793 10.355 4.471 1.00 1.18 H new ATOM 0 HA LYS A 100 -13.930 11.639 5.626 1.00 1.33 H new ATOM 0 HB2 LYS A 100 -14.082 12.546 3.085 1.00 1.40 H new ATOM 0 HB3 LYS A 100 -12.822 13.035 4.200 1.00 1.40 H new ATOM 0 HG2 LYS A 100 -11.583 12.498 2.311 1.00 1.30 H new ATOM 0 HG3 LYS A 100 -11.480 11.006 3.225 1.00 1.30 H new ATOM 0 HD2 LYS A 100 -11.969 10.432 0.940 1.00 1.47 H new ATOM 0 HD3 LYS A 100 -13.402 10.096 1.891 1.00 1.47 H new ATOM 0 HE2 LYS A 100 -14.018 11.210 -0.198 1.00 2.02 H new ATOM 0 HE3 LYS A 100 -14.415 12.228 1.172 1.00 2.02 H new ATOM 0 HZ1 LYS A 100 -13.260 13.281 -0.826 1.00 2.63 H new ATOM 0 HZ2 LYS A 100 -12.670 13.672 0.718 1.00 2.63 H new ATOM 0 HZ3 LYS A 100 -11.839 12.550 -0.249 1.00 2.63 H new ATOM 1604 N SER A 101 -14.982 9.522 3.375 1.00 1.46 N ATOM 1605 CA SER A 101 -16.156 8.757 3.002 1.00 1.92 C ATOM 1606 C SER A 101 -16.035 7.351 3.573 1.00 1.73 C ATOM 1607 O SER A 101 -15.033 6.681 3.344 1.00 2.45 O ATOM 1608 CB SER A 101 -16.283 8.698 1.483 1.00 2.55 C ATOM 1609 OG SER A 101 -16.292 10.000 0.917 1.00 3.05 O ATOM 0 H SER A 101 -14.119 9.220 2.922 1.00 1.46 H new ATOM 0 HA SER A 101 -17.048 9.238 3.404 1.00 1.92 H new ATOM 0 HB2 SER A 101 -15.454 8.124 1.068 1.00 2.55 H new ATOM 0 HB3 SER A 101 -17.200 8.175 1.212 1.00 2.55 H new ATOM 0 HG SER A 101 -16.373 9.933 -0.057 1.00 3.05 H new ATOM 1615 N SER A 102 -17.035 6.912 4.324 1.00 1.56 N ATOM 1616 CA SER A 102 -16.973 5.610 4.972 1.00 1.80 C ATOM 1617 C SER A 102 -18.366 5.069 5.272 1.00 2.12 C ATOM 1618 O SER A 102 -18.691 3.938 4.904 1.00 2.73 O ATOM 1619 CB SER A 102 -16.139 5.708 6.252 1.00 2.23 C ATOM 1620 OG SER A 102 -16.485 6.864 6.998 1.00 2.75 O ATOM 0 H SER A 102 -17.894 7.434 4.499 1.00 1.56 H new ATOM 0 HA SER A 102 -16.494 4.908 4.289 1.00 1.80 H new ATOM 0 HB2 SER A 102 -16.295 4.818 6.861 1.00 2.23 H new ATOM 0 HB3 SER A 102 -15.079 5.738 5.998 1.00 2.23 H new ATOM 0 HG SER A 102 -15.833 7.574 6.823 1.00 2.75 H new ATOM 1626 N ILE A 103 -19.186 5.873 5.932 1.00 2.41 N ATOM 1627 CA ILE A 103 -20.551 5.474 6.247 1.00 3.09 C ATOM 1628 C ILE A 103 -21.541 6.085 5.256 1.00 3.67 C ATOM 1629 O ILE A 103 -22.211 7.075 5.601 1.00 4.17 O ATOM 1630 CB ILE A 103 -20.939 5.867 7.693 1.00 3.79 C ATOM 1631 CG1 ILE A 103 -20.502 7.307 8.008 1.00 4.17 C ATOM 1632 CG2 ILE A 103 -20.326 4.891 8.686 1.00 4.47 C ATOM 1633 CD1 ILE A 103 -20.989 7.815 9.350 1.00 5.26 C ATOM 1634 OXT ILE A 103 -21.615 5.594 4.112 1.00 4.12 O ATOM 0 H ILE A 103 -18.931 6.805 6.260 1.00 2.41 H new ATOM 0 HA ILE A 103 -20.596 4.388 6.166 1.00 3.09 H new ATOM 0 HB ILE A 103 -22.024 5.819 7.782 1.00 3.79 H new ATOM 0 HG12 ILE A 103 -19.414 7.360 7.983 1.00 4.17 H new ATOM 0 HG13 ILE A 103 -20.871 7.968 7.224 1.00 4.17 H new ATOM 0 HG21 ILE A 103 -20.606 5.179 9.699 1.00 4.47 H new ATOM 0 HG22 ILE A 103 -20.691 3.885 8.480 1.00 4.47 H new ATOM 0 HG23 ILE A 103 -19.240 4.909 8.591 1.00 4.47 H new ATOM 0 HD11 ILE A 103 -20.641 8.837 9.500 1.00 5.26 H new ATOM 0 HD12 ILE A 103 -22.079 7.796 9.373 1.00 5.26 H new ATOM 0 HD13 ILE A 103 -20.598 7.178 10.144 1.00 5.26 H new TER 1646 ILE A 103