USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 869 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+ 137:sc= 0.0872 (180deg=-0.0508) USER MOD Single : A 8 SER OG : rot -135:sc= 0.93 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot -50:sc= 0.298 USER MOD Single : A 15 SER OG : rot -90:sc= 0.0516 USER MOD Single : A 16 MET CE :methyl -173:sc= -0.444 (180deg=-0.629) USER MOD Single : A 18 SER OG : rot 180:sc= -0.0353 USER MOD Single : A 26 TYR OH : rot 180:sc= -0.0694 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -76:sc= 1.31 USER MOD Single : A 34 SER OG : rot -46:sc= 0.12 USER MOD Single : A 36 ASN : amide:sc= -0.282 K(o=-0.28,f=-1.5) USER MOD Single : A 42 ASN : amide:sc= -0.304 K(o=-0.3,f=-5.6!) USER MOD Single : A 43 THR OG1 : rot 55:sc= 0.105 USER MOD Single : A 48 HIS : no HD1:sc= -0.158 X(o=-0.16,f=-0.012) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0999 USER MOD Single : A 53 LYS NZ :NH3+ 137:sc= 0.288 (180deg=-0.363) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 84:sc= 0.561 USER MOD Single : A 60 SER OG : rot 74:sc= 0.575 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 163:sc= 0.792 USER MOD Single : A 70 ASN : amide:sc= 0.978 K(o=0.98,f=0) USER MOD Single : A 74 ASN : amide:sc= -0.889 K(o=-0.89,f=-0.019) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0607 USER MOD Single : A 80 LYS NZ :NH3+ -165:sc= 0.589 (180deg=-0.207!) USER MOD Single : A 85 LYS NZ :NH3+ -98:sc= 1.25 (180deg=-0.388) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.0403 USER MOD Single : A 95 GLN : amide:sc= 0.973 K(o=0.97,f=-0.0071) USER MOD Single : A 102 SER OG : rot -55:sc= 1.23 USER MOD Single : A 110 THR OG1 : rot -165:sc= 1.3 USER MOD Single : A 111 THR OG1 : rot -54:sc= 0.135 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.220 -2.782 12.100 1.00 0.00 N ATOM 2 CA MET A 1 12.306 -3.691 11.390 1.00 0.00 C ATOM 3 C MET A 1 11.027 -2.968 11.014 1.00 0.00 C ATOM 4 O MET A 1 10.671 -1.989 11.669 1.00 0.00 O ATOM 5 CB MET A 1 11.979 -4.947 12.216 1.00 0.00 C ATOM 6 CG MET A 1 11.168 -4.680 13.490 1.00 0.00 C ATOM 7 SD MET A 1 11.173 -6.087 14.628 1.00 0.00 S ATOM 8 CE MET A 1 9.645 -5.776 15.547 1.00 0.00 C ATOM 0 H1 MET A 1 13.642 -3.278 12.911 1.00 0.00 H new ATOM 0 H2 MET A 1 13.974 -2.473 11.453 1.00 0.00 H new ATOM 0 H3 MET A 1 12.692 -1.952 12.438 1.00 0.00 H new ATOM 0 HA MET A 1 12.817 -4.017 10.484 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.425 -5.645 11.588 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.912 -5.438 12.491 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.574 -3.805 13.998 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.140 -4.441 13.218 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.503 -6.559 16.292 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.711 -4.809 16.045 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.800 -5.773 14.858 1.00 0.00 H new ATOM 18 N ALA A 2 10.339 -3.482 9.994 1.00 0.00 N ATOM 19 CA ALA A 2 8.975 -3.228 9.545 1.00 0.00 C ATOM 20 C ALA A 2 8.890 -3.659 8.098 1.00 0.00 C ATOM 21 O ALA A 2 9.857 -3.486 7.354 1.00 0.00 O ATOM 22 CB ALA A 2 8.495 -1.773 9.694 1.00 0.00 C ATOM 0 H ALA A 2 10.784 -4.173 9.390 1.00 0.00 H new ATOM 0 HA ALA A 2 8.309 -3.798 10.193 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.470 -1.689 9.333 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.534 -1.483 10.744 1.00 0.00 H new ATOM 0 HB3 ALA A 2 9.140 -1.116 9.111 1.00 0.00 H new ATOM 28 N ARG A 3 7.727 -4.130 7.664 1.00 0.00 N ATOM 29 CA ARG A 3 7.464 -4.275 6.245 1.00 0.00 C ATOM 30 C ARG A 3 6.526 -3.169 5.831 1.00 0.00 C ATOM 31 O ARG A 3 5.545 -2.902 6.515 1.00 0.00 O ATOM 32 CB ARG A 3 6.976 -5.693 5.923 1.00 0.00 C ATOM 33 CG ARG A 3 8.197 -6.594 5.657 1.00 0.00 C ATOM 34 CD ARG A 3 8.270 -7.928 6.399 1.00 0.00 C ATOM 35 NE ARG A 3 7.885 -9.103 5.604 1.00 0.00 N ATOM 36 CZ ARG A 3 7.792 -10.336 6.120 1.00 0.00 C ATOM 37 NH1 ARG A 3 8.075 -10.558 7.399 1.00 0.00 N ATOM 38 NH2 ARG A 3 7.428 -11.357 5.353 1.00 0.00 N ATOM 0 H ARG A 3 6.959 -4.415 8.272 1.00 0.00 H new ATOM 0 HA ARG A 3 8.373 -4.166 5.653 1.00 0.00 H new ATOM 0 HB2 ARG A 3 6.390 -6.088 6.753 1.00 0.00 H new ATOM 0 HB3 ARG A 3 6.322 -5.677 5.051 1.00 0.00 H new ATOM 0 HG2 ARG A 3 8.233 -6.802 4.588 1.00 0.00 H new ATOM 0 HG3 ARG A 3 9.094 -6.025 5.902 1.00 0.00 H new ATOM 0 HD2 ARG A 3 9.288 -8.070 6.760 1.00 0.00 H new ATOM 0 HD3 ARG A 3 7.625 -7.874 7.276 1.00 0.00 H new ATOM 0 HE ARG A 3 7.679 -8.974 4.613 1.00 0.00 H new ATOM 0 HH11 ARG A 3 8.366 -9.786 7.998 1.00 0.00 H new ATOM 0 HH12 ARG A 3 8.001 -11.501 7.782 1.00 0.00 H new ATOM 0 HH21 ARG A 3 7.218 -11.204 4.367 1.00 0.00 H new ATOM 0 HH22 ARG A 3 7.359 -12.294 5.750 1.00 0.00 H new ATOM 52 N VAL A 4 6.858 -2.487 4.748 1.00 0.00 N ATOM 53 CA VAL A 4 5.970 -1.545 4.087 1.00 0.00 C ATOM 54 C VAL A 4 5.303 -2.352 2.967 1.00 0.00 C ATOM 55 O VAL A 4 5.906 -3.313 2.481 1.00 0.00 O ATOM 56 CB VAL A 4 6.836 -0.332 3.650 1.00 0.00 C ATOM 57 CG1 VAL A 4 7.377 -0.479 2.240 1.00 0.00 C ATOM 58 CG2 VAL A 4 6.168 1.037 3.777 1.00 0.00 C ATOM 0 H VAL A 4 7.768 -2.574 4.295 1.00 0.00 H new ATOM 0 HA VAL A 4 5.172 -1.117 4.693 1.00 0.00 H new ATOM 0 HB VAL A 4 7.652 -0.355 4.372 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.975 0.397 1.987 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.999 -1.372 2.180 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.547 -0.567 1.539 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.860 1.812 3.446 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.271 1.063 3.158 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.896 1.214 4.818 1.00 0.00 H new ATOM 68 N ALA A 5 4.097 -1.989 2.526 1.00 0.00 N ATOM 69 CA ALA A 5 3.551 -2.496 1.271 1.00 0.00 C ATOM 70 C ALA A 5 3.415 -1.302 0.337 1.00 0.00 C ATOM 71 O ALA A 5 3.100 -0.196 0.787 1.00 0.00 O ATOM 72 CB ALA A 5 2.194 -3.169 1.495 1.00 0.00 C ATOM 0 H ALA A 5 3.481 -1.345 3.022 1.00 0.00 H new ATOM 0 HA ALA A 5 4.208 -3.252 0.842 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.809 -3.538 0.544 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.311 -4.003 2.187 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.494 -2.446 1.914 1.00 0.00 H new ATOM 78 N ILE A 6 3.583 -1.512 -0.964 1.00 0.00 N ATOM 79 CA ILE A 6 3.374 -0.482 -1.968 1.00 0.00 C ATOM 80 C ILE A 6 2.425 -1.081 -3.014 1.00 0.00 C ATOM 81 O ILE A 6 2.744 -2.132 -3.576 1.00 0.00 O ATOM 82 CB ILE A 6 4.696 0.039 -2.560 1.00 0.00 C ATOM 83 CG1 ILE A 6 5.748 0.423 -1.501 1.00 0.00 C ATOM 84 CG2 ILE A 6 4.413 1.257 -3.450 1.00 0.00 C ATOM 85 CD1 ILE A 6 6.665 -0.748 -1.114 1.00 0.00 C ATOM 0 H ILE A 6 3.871 -2.410 -1.352 1.00 0.00 H new ATOM 0 HA ILE A 6 2.925 0.408 -1.528 1.00 0.00 H new ATOM 0 HB ILE A 6 5.118 -0.785 -3.135 1.00 0.00 H new ATOM 0 HG12 ILE A 6 6.356 1.243 -1.882 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.240 0.790 -0.609 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.349 1.626 -3.869 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.742 0.969 -4.259 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.947 2.042 -2.855 1.00 0.00 H new ATOM 0 HD11 ILE A 6 7.384 -0.415 -0.365 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.065 -1.560 -0.705 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.198 -1.100 -1.997 1.00 0.00 H new ATOM 97 N PRO A 7 1.245 -0.476 -3.229 1.00 0.00 N ATOM 98 CA PRO A 7 0.259 -0.866 -4.207 1.00 0.00 C ATOM 99 C PRO A 7 0.805 -0.483 -5.580 1.00 0.00 C ATOM 100 O PRO A 7 0.696 0.671 -5.986 1.00 0.00 O ATOM 101 CB PRO A 7 -0.998 -0.080 -3.808 1.00 0.00 C ATOM 102 CG PRO A 7 -0.496 1.200 -3.166 1.00 0.00 C ATOM 103 CD PRO A 7 0.865 0.798 -2.666 1.00 0.00 C ATOM 0 HA PRO A 7 0.030 -1.931 -4.247 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.618 0.136 -4.678 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.613 -0.652 -3.113 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -0.440 2.019 -3.883 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.146 1.530 -2.355 1.00 0.00 H new ATOM 0 HD2 PRO A 7 1.599 1.557 -2.936 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.857 0.736 -1.578 1.00 0.00 H new ATOM 111 N SER A 8 1.442 -1.417 -6.265 1.00 0.00 N ATOM 112 CA SER A 8 1.917 -1.252 -7.622 1.00 0.00 C ATOM 113 C SER A 8 0.809 -1.680 -8.597 1.00 0.00 C ATOM 114 O SER A 8 -0.205 -2.276 -8.204 1.00 0.00 O ATOM 115 CB SER A 8 3.169 -2.128 -7.765 1.00 0.00 C ATOM 116 OG SER A 8 3.744 -2.050 -9.048 1.00 0.00 O ATOM 0 H SER A 8 1.648 -2.338 -5.878 1.00 0.00 H new ATOM 0 HA SER A 8 2.168 -0.216 -7.848 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.906 -1.824 -7.022 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.908 -3.164 -7.551 1.00 0.00 H new ATOM 0 HG SER A 8 3.980 -2.950 -9.356 1.00 0.00 H new ATOM 122 N VAL A 9 1.040 -1.441 -9.888 1.00 0.00 N ATOM 123 CA VAL A 9 0.265 -2.009 -10.986 1.00 0.00 C ATOM 124 C VAL A 9 1.179 -2.679 -12.018 1.00 0.00 C ATOM 125 O VAL A 9 0.889 -2.702 -13.214 1.00 0.00 O ATOM 126 CB VAL A 9 -0.635 -0.920 -11.612 1.00 0.00 C ATOM 127 CG1 VAL A 9 -1.555 -0.257 -10.586 1.00 0.00 C ATOM 128 CG2 VAL A 9 0.169 0.218 -12.263 1.00 0.00 C ATOM 0 H VAL A 9 1.793 -0.830 -10.205 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.385 -2.793 -10.597 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.214 -1.459 -12.362 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.165 0.500 -11.080 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.203 -1.010 -10.138 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.953 0.213 -9.808 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.517 0.953 -12.685 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.796 0.697 -11.511 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.799 -0.188 -13.055 1.00 0.00 H new ATOM 138 N GLY A 10 2.225 -3.333 -11.526 1.00 0.00 N ATOM 139 CA GLY A 10 3.085 -4.241 -12.258 1.00 0.00 C ATOM 140 C GLY A 10 4.026 -4.904 -11.255 1.00 0.00 C ATOM 141 O GLY A 10 4.030 -4.547 -10.071 1.00 0.00 O ATOM 0 H GLY A 10 2.507 -3.235 -10.551 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.492 -4.992 -12.779 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.653 -3.701 -13.016 1.00 0.00 H new ATOM 145 N LYS A 11 4.809 -5.882 -11.704 1.00 0.00 N ATOM 146 CA LYS A 11 5.533 -6.795 -10.819 1.00 0.00 C ATOM 147 C LYS A 11 7.024 -6.479 -10.843 1.00 0.00 C ATOM 148 O LYS A 11 7.846 -7.392 -10.765 1.00 0.00 O ATOM 149 CB LYS A 11 5.206 -8.249 -11.225 1.00 0.00 C ATOM 150 CG LYS A 11 5.478 -8.535 -12.707 1.00 0.00 C ATOM 151 CD LYS A 11 5.090 -9.947 -13.158 1.00 0.00 C ATOM 152 CE LYS A 11 3.600 -9.929 -13.493 1.00 0.00 C ATOM 153 NZ LYS A 11 3.127 -11.177 -14.113 1.00 0.00 N ATOM 0 H LYS A 11 4.961 -6.065 -12.696 1.00 0.00 H new ATOM 0 HA LYS A 11 5.215 -6.666 -9.784 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.797 -8.932 -10.615 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.158 -8.454 -11.008 1.00 0.00 H new ATOM 0 HG2 LYS A 11 4.932 -7.810 -13.311 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.539 -8.381 -12.906 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.675 -10.246 -14.028 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.297 -10.671 -12.370 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.032 -9.747 -12.581 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.396 -9.097 -14.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.110 -11.100 -14.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.645 -11.342 -15.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.292 -11.972 -13.463 1.00 0.00 H new ATOM 167 N ASP A 12 7.370 -5.195 -10.903 1.00 0.00 N ATOM 168 CA ASP A 12 8.733 -4.711 -11.016 1.00 0.00 C ATOM 169 C ASP A 12 8.863 -3.497 -10.097 1.00 0.00 C ATOM 170 O ASP A 12 7.908 -2.745 -9.890 1.00 0.00 O ATOM 171 CB ASP A 12 9.074 -4.317 -12.465 1.00 0.00 C ATOM 172 CG ASP A 12 8.815 -5.390 -13.527 1.00 0.00 C ATOM 173 OD1 ASP A 12 9.471 -6.453 -13.502 1.00 0.00 O ATOM 174 OD2 ASP A 12 7.975 -5.170 -14.439 1.00 0.00 O ATOM 0 H ASP A 12 6.682 -4.442 -10.873 1.00 0.00 H new ATOM 0 HA ASP A 12 9.429 -5.499 -10.728 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.498 -3.429 -12.725 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.127 -4.038 -12.507 1.00 0.00 H new ATOM 179 N LEU A 13 10.068 -3.245 -9.590 1.00 0.00 N ATOM 180 CA LEU A 13 10.353 -2.150 -8.656 1.00 0.00 C ATOM 181 C LEU A 13 10.349 -0.783 -9.365 1.00 0.00 C ATOM 182 O LEU A 13 10.378 0.259 -8.720 1.00 0.00 O ATOM 183 CB LEU A 13 11.688 -2.475 -7.964 1.00 0.00 C ATOM 184 CG LEU A 13 11.945 -2.032 -6.508 1.00 0.00 C ATOM 185 CD1 LEU A 13 11.980 -0.520 -6.325 1.00 0.00 C ATOM 186 CD2 LEU A 13 10.961 -2.655 -5.511 1.00 0.00 C ATOM 0 H LEU A 13 10.890 -3.804 -9.819 1.00 0.00 H new ATOM 0 HA LEU A 13 9.571 -2.069 -7.901 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.812 -3.557 -7.997 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.481 -2.044 -8.576 1.00 0.00 H new ATOM 0 HG LEU A 13 12.943 -2.412 -6.288 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.165 -0.285 -5.277 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.776 -0.098 -6.938 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.024 -0.094 -6.629 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.193 -2.306 -4.505 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.944 -2.362 -5.772 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.046 -3.741 -5.547 1.00 0.00 H new ATOM 198 N SER A 14 10.208 -0.752 -10.692 1.00 0.00 N ATOM 199 CA SER A 14 9.883 0.468 -11.415 1.00 0.00 C ATOM 200 C SER A 14 8.622 0.242 -12.249 1.00 0.00 C ATOM 201 O SER A 14 8.507 0.793 -13.351 1.00 0.00 O ATOM 202 CB SER A 14 11.064 0.791 -12.323 1.00 0.00 C ATOM 203 OG SER A 14 10.979 2.063 -12.935 1.00 0.00 O ATOM 0 H SER A 14 10.317 -1.572 -11.289 1.00 0.00 H new ATOM 0 HA SER A 14 9.698 1.294 -10.728 1.00 0.00 H new ATOM 0 HB2 SER A 14 11.984 0.739 -11.741 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.134 0.028 -13.099 1.00 0.00 H new ATOM 0 HG SER A 14 10.100 2.166 -13.355 1.00 0.00 H new ATOM 209 N SER A 15 7.641 -0.502 -11.738 1.00 0.00 N ATOM 210 CA SER A 15 6.295 -0.379 -12.271 1.00 0.00 C ATOM 211 C SER A 15 5.658 0.878 -11.651 1.00 0.00 C ATOM 212 O SER A 15 6.241 1.472 -10.742 1.00 0.00 O ATOM 213 CB SER A 15 5.466 -1.614 -11.904 1.00 0.00 C ATOM 214 OG SER A 15 6.060 -2.823 -12.329 1.00 0.00 O ATOM 0 H SER A 15 7.751 -1.175 -10.979 1.00 0.00 H new ATOM 0 HA SER A 15 6.326 -0.299 -13.358 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.327 -1.644 -10.823 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.475 -1.526 -12.350 1.00 0.00 H new ATOM 0 HG SER A 15 5.747 -3.042 -13.232 1.00 0.00 H new ATOM 220 N MET A 16 4.448 1.286 -12.044 1.00 0.00 N ATOM 221 CA MET A 16 3.797 2.425 -11.412 1.00 0.00 C ATOM 222 C MET A 16 3.203 2.024 -10.067 1.00 0.00 C ATOM 223 O MET A 16 2.687 0.916 -9.920 1.00 0.00 O ATOM 224 CB MET A 16 2.638 2.835 -12.321 1.00 0.00 C ATOM 225 CG MET A 16 3.121 3.753 -13.426 1.00 0.00 C ATOM 226 SD MET A 16 3.779 5.362 -12.898 1.00 0.00 S ATOM 227 CE MET A 16 2.634 5.822 -11.566 1.00 0.00 C ATOM 0 H MET A 16 3.908 0.846 -12.789 1.00 0.00 H new ATOM 0 HA MET A 16 4.520 3.227 -11.261 1.00 0.00 H new ATOM 0 HB2 MET A 16 2.178 1.947 -12.755 1.00 0.00 H new ATOM 0 HB3 MET A 16 1.869 3.338 -11.734 1.00 0.00 H new ATOM 0 HG2 MET A 16 3.896 3.233 -13.989 1.00 0.00 H new ATOM 0 HG3 MET A 16 2.293 3.930 -14.112 1.00 0.00 H new ATOM 0 HE1 MET A 16 2.846 6.840 -11.239 1.00 0.00 H new ATOM 0 HE2 MET A 16 1.609 5.764 -11.931 1.00 0.00 H new ATOM 0 HE3 MET A 16 2.759 5.138 -10.726 1.00 0.00 H new ATOM 237 N VAL A 17 3.242 2.942 -9.105 1.00 0.00 N ATOM 238 CA VAL A 17 2.426 2.866 -7.893 1.00 0.00 C ATOM 239 C VAL A 17 1.001 3.318 -8.235 1.00 0.00 C ATOM 240 O VAL A 17 0.745 3.940 -9.268 1.00 0.00 O ATOM 241 CB VAL A 17 3.094 3.689 -6.772 1.00 0.00 C ATOM 242 CG1 VAL A 17 2.401 3.743 -5.404 1.00 0.00 C ATOM 243 CG2 VAL A 17 4.464 3.106 -6.487 1.00 0.00 C ATOM 0 H VAL A 17 3.844 3.765 -9.143 1.00 0.00 H new ATOM 0 HA VAL A 17 2.355 1.846 -7.516 1.00 0.00 H new ATOM 0 HB VAL A 17 3.072 4.701 -7.177 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.989 4.358 -4.722 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.407 4.175 -5.517 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.315 2.734 -5.000 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.946 3.680 -5.696 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.359 2.068 -6.170 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.073 3.150 -7.390 1.00 0.00 H new ATOM 253 N SER A 18 0.060 2.955 -7.372 1.00 0.00 N ATOM 254 CA SER A 18 -1.368 3.031 -7.594 1.00 0.00 C ATOM 255 C SER A 18 -2.020 3.963 -6.580 1.00 0.00 C ATOM 256 O SER A 18 -1.784 3.874 -5.372 1.00 0.00 O ATOM 257 CB SER A 18 -1.896 1.593 -7.515 1.00 0.00 C ATOM 258 OG SER A 18 -3.112 1.438 -8.211 1.00 0.00 O ATOM 0 H SER A 18 0.291 2.581 -6.452 1.00 0.00 H new ATOM 0 HA SER A 18 -1.608 3.455 -8.569 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.153 0.911 -7.927 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.038 1.316 -6.470 1.00 0.00 H new ATOM 0 HG SER A 18 -3.414 0.509 -8.138 1.00 0.00 H new ATOM 264 N ASP A 19 -2.886 4.847 -7.076 1.00 0.00 N ATOM 265 CA ASP A 19 -3.575 5.878 -6.307 1.00 0.00 C ATOM 266 C ASP A 19 -4.799 5.280 -5.585 1.00 0.00 C ATOM 267 O ASP A 19 -5.893 5.857 -5.559 1.00 0.00 O ATOM 268 CB ASP A 19 -4.011 7.014 -7.252 1.00 0.00 C ATOM 269 CG ASP A 19 -2.852 7.893 -7.696 1.00 0.00 C ATOM 270 OD1 ASP A 19 -2.526 8.836 -6.939 1.00 0.00 O ATOM 271 OD2 ASP A 19 -2.336 7.676 -8.817 1.00 0.00 O ATOM 0 H ASP A 19 -3.135 4.863 -8.065 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.897 6.278 -5.553 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.492 6.584 -8.131 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.757 7.631 -6.750 1.00 0.00 H new ATOM 276 N ARG A 20 -4.668 4.057 -5.062 1.00 0.00 N ATOM 277 CA ARG A 20 -5.787 3.221 -4.639 1.00 0.00 C ATOM 278 C ARG A 20 -5.248 1.913 -4.059 1.00 0.00 C ATOM 279 O ARG A 20 -5.252 0.892 -4.738 1.00 0.00 O ATOM 280 CB ARG A 20 -6.755 2.949 -5.822 1.00 0.00 C ATOM 281 CG ARG A 20 -6.105 2.661 -7.194 1.00 0.00 C ATOM 282 CD ARG A 20 -7.090 2.058 -8.209 1.00 0.00 C ATOM 283 NE ARG A 20 -7.632 3.026 -9.174 1.00 0.00 N ATOM 284 CZ ARG A 20 -8.243 2.709 -10.325 1.00 0.00 C ATOM 285 NH1 ARG A 20 -8.290 1.458 -10.775 1.00 0.00 N ATOM 286 NH2 ARG A 20 -8.848 3.662 -11.015 1.00 0.00 N ATOM 0 H ARG A 20 -3.760 3.615 -4.919 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.354 3.745 -3.870 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.385 2.100 -5.558 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.412 3.812 -5.930 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.696 3.587 -7.598 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.268 1.976 -7.057 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.587 1.260 -8.756 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.918 1.601 -7.667 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.536 4.017 -8.950 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.853 0.707 -10.240 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.763 1.250 -11.655 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.845 4.622 -10.670 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.317 3.437 -11.892 1.00 0.00 H new ATOM 300 N PHE A 21 -4.842 1.901 -2.786 1.00 0.00 N ATOM 301 CA PHE A 21 -4.338 0.691 -2.145 1.00 0.00 C ATOM 302 C PHE A 21 -5.276 -0.498 -2.319 1.00 0.00 C ATOM 303 O PHE A 21 -4.876 -1.545 -2.811 1.00 0.00 O ATOM 304 CB PHE A 21 -4.135 0.975 -0.664 1.00 0.00 C ATOM 305 CG PHE A 21 -4.131 -0.254 0.204 1.00 0.00 C ATOM 306 CD1 PHE A 21 -3.098 -1.193 0.075 1.00 0.00 C ATOM 307 CD2 PHE A 21 -5.221 -0.509 1.051 1.00 0.00 C ATOM 308 CE1 PHE A 21 -3.165 -2.401 0.779 1.00 0.00 C ATOM 309 CE2 PHE A 21 -5.280 -1.707 1.768 1.00 0.00 C ATOM 310 CZ PHE A 21 -4.248 -2.657 1.637 1.00 0.00 C ATOM 0 H PHE A 21 -4.854 2.721 -2.180 1.00 0.00 H new ATOM 0 HA PHE A 21 -3.396 0.422 -2.623 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.190 1.502 -0.533 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.924 1.645 -0.322 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.253 -0.985 -0.565 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -6.013 0.219 1.148 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.383 -3.137 0.663 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -6.116 -1.904 2.422 1.00 0.00 H new ATOM 0 HZ PHE A 21 -4.289 -3.581 2.195 1.00 0.00 H new ATOM 320 N ALA A 22 -6.531 -0.336 -1.895 1.00 0.00 N ATOM 321 CA ALA A 22 -7.486 -1.433 -1.851 1.00 0.00 C ATOM 322 C ALA A 22 -7.908 -1.913 -3.253 1.00 0.00 C ATOM 323 O ALA A 22 -8.810 -2.739 -3.350 1.00 0.00 O ATOM 324 CB ALA A 22 -8.698 -0.994 -1.019 1.00 0.00 C ATOM 0 H ALA A 22 -6.908 0.556 -1.575 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.006 -2.292 -1.382 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.424 -1.806 -0.977 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.374 -0.743 -0.009 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.158 -0.120 -1.480 1.00 0.00 H new ATOM 330 N ARG A 23 -7.326 -1.378 -4.330 1.00 0.00 N ATOM 331 CA ARG A 23 -7.591 -1.714 -5.713 1.00 0.00 C ATOM 332 C ARG A 23 -6.247 -1.766 -6.460 1.00 0.00 C ATOM 333 O ARG A 23 -6.136 -1.303 -7.599 1.00 0.00 O ATOM 334 CB ARG A 23 -8.480 -0.597 -6.271 1.00 0.00 C ATOM 335 CG ARG A 23 -9.990 -0.824 -6.206 1.00 0.00 C ATOM 336 CD ARG A 23 -10.735 -0.062 -7.311 1.00 0.00 C ATOM 337 NE ARG A 23 -10.575 -0.742 -8.604 1.00 0.00 N ATOM 338 CZ ARG A 23 -10.989 -0.336 -9.805 1.00 0.00 C ATOM 339 NH1 ARG A 23 -11.540 0.866 -9.949 1.00 0.00 N ATOM 340 NH2 ARG A 23 -10.862 -1.149 -10.847 1.00 0.00 N ATOM 0 H ARG A 23 -6.613 -0.654 -4.243 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.087 -2.678 -5.823 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.251 0.322 -5.731 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.205 -0.432 -7.313 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.200 -1.890 -6.296 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.363 -0.506 -5.232 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -11.793 0.011 -7.060 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.353 0.957 -7.379 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.086 -1.637 -8.580 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.646 1.478 -9.140 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.856 1.175 -10.868 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.451 -2.074 -10.725 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.176 -0.848 -11.770 1.00 0.00 H new ATOM 354 N ALA A 24 -5.198 -2.288 -5.829 1.00 0.00 N ATOM 355 CA ALA A 24 -3.916 -2.333 -6.510 1.00 0.00 C ATOM 356 C ALA A 24 -3.847 -3.666 -7.252 1.00 0.00 C ATOM 357 O ALA A 24 -4.791 -4.461 -7.192 1.00 0.00 O ATOM 358 CB ALA A 24 -2.749 -2.148 -5.527 1.00 0.00 C ATOM 0 H ALA A 24 -5.210 -2.671 -4.884 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.827 -1.511 -7.220 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.805 -2.187 -6.071 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.842 -1.182 -5.030 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.771 -2.943 -4.782 1.00 0.00 H new ATOM 364 N GLU A 25 -2.753 -3.924 -7.960 1.00 0.00 N ATOM 365 CA GLU A 25 -2.593 -5.171 -8.701 1.00 0.00 C ATOM 366 C GLU A 25 -1.373 -5.976 -8.257 1.00 0.00 C ATOM 367 O GLU A 25 -1.301 -7.186 -8.482 1.00 0.00 O ATOM 368 CB GLU A 25 -2.660 -4.860 -10.200 1.00 0.00 C ATOM 369 CG GLU A 25 -4.135 -4.692 -10.593 1.00 0.00 C ATOM 370 CD GLU A 25 -4.364 -4.685 -12.099 1.00 0.00 C ATOM 371 OE1 GLU A 25 -4.496 -5.777 -12.690 1.00 0.00 O ATOM 372 OE2 GLU A 25 -4.522 -3.589 -12.686 1.00 0.00 O ATOM 0 H GLU A 25 -1.962 -3.285 -8.037 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.416 -5.848 -8.472 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.102 -3.951 -10.424 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.203 -5.665 -10.775 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.716 -5.500 -10.149 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.511 -3.760 -10.172 1.00 0.00 H new ATOM 379 N TYR A 26 -0.429 -5.351 -7.570 1.00 0.00 N ATOM 380 CA TYR A 26 0.737 -5.989 -7.020 1.00 0.00 C ATOM 381 C TYR A 26 1.024 -5.234 -5.729 1.00 0.00 C ATOM 382 O TYR A 26 0.734 -4.041 -5.627 1.00 0.00 O ATOM 383 CB TYR A 26 1.864 -5.903 -8.061 1.00 0.00 C ATOM 384 CG TYR A 26 1.623 -6.752 -9.297 1.00 0.00 C ATOM 385 CD1 TYR A 26 2.002 -8.107 -9.329 1.00 0.00 C ATOM 386 CD2 TYR A 26 0.978 -6.187 -10.412 1.00 0.00 C ATOM 387 CE1 TYR A 26 1.711 -8.895 -10.458 1.00 0.00 C ATOM 388 CE2 TYR A 26 0.683 -6.964 -11.542 1.00 0.00 C ATOM 389 CZ TYR A 26 1.014 -8.337 -11.552 1.00 0.00 C ATOM 390 OH TYR A 26 0.651 -9.113 -12.612 1.00 0.00 O ATOM 0 H TYR A 26 -0.464 -4.350 -7.378 1.00 0.00 H new ATOM 0 HA TYR A 26 0.619 -7.049 -6.794 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.987 -4.863 -8.364 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.800 -6.212 -7.596 1.00 0.00 H new ATOM 0 HD1 TYR A 26 2.517 -8.543 -8.486 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.706 -5.142 -10.398 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.021 -9.929 -10.488 1.00 0.00 H new ATOM 0 HE2 TYR A 26 0.205 -6.515 -12.400 1.00 0.00 H new ATOM 0 HH TYR A 26 0.179 -8.564 -13.272 1.00 0.00 H new ATOM 400 N PHE A 27 1.556 -5.919 -4.727 1.00 0.00 N ATOM 401 CA PHE A 27 1.856 -5.362 -3.424 1.00 0.00 C ATOM 402 C PHE A 27 3.292 -5.734 -3.133 1.00 0.00 C ATOM 403 O PHE A 27 3.599 -6.857 -2.746 1.00 0.00 O ATOM 404 CB PHE A 27 0.871 -5.851 -2.366 1.00 0.00 C ATOM 405 CG PHE A 27 -0.536 -5.324 -2.547 1.00 0.00 C ATOM 406 CD1 PHE A 27 -0.818 -3.973 -2.275 1.00 0.00 C ATOM 407 CD2 PHE A 27 -1.567 -6.182 -2.974 1.00 0.00 C ATOM 408 CE1 PHE A 27 -2.125 -3.488 -2.443 1.00 0.00 C ATOM 409 CE2 PHE A 27 -2.871 -5.688 -3.138 1.00 0.00 C ATOM 410 CZ PHE A 27 -3.146 -4.338 -2.888 1.00 0.00 C ATOM 0 H PHE A 27 1.797 -6.907 -4.805 1.00 0.00 H new ATOM 0 HA PHE A 27 1.745 -4.278 -3.408 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.845 -6.941 -2.384 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.235 -5.557 -1.382 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.033 -3.312 -1.939 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.355 -7.222 -3.176 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.345 -2.453 -2.228 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.663 -6.350 -3.457 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.144 -3.953 -3.038 1.00 0.00 H new ATOM 420 N ILE A 28 4.179 -4.801 -3.430 1.00 0.00 N ATOM 421 CA ILE A 28 5.606 -4.963 -3.275 1.00 0.00 C ATOM 422 C ILE A 28 5.792 -4.721 -1.787 1.00 0.00 C ATOM 423 O ILE A 28 5.461 -3.646 -1.291 1.00 0.00 O ATOM 424 CB ILE A 28 6.338 -3.978 -4.209 1.00 0.00 C ATOM 425 CG1 ILE A 28 6.171 -4.320 -5.719 1.00 0.00 C ATOM 426 CG2 ILE A 28 7.843 -3.990 -3.905 1.00 0.00 C ATOM 427 CD1 ILE A 28 4.764 -4.609 -6.241 1.00 0.00 C ATOM 0 H ILE A 28 3.915 -3.886 -3.795 1.00 0.00 H new ATOM 0 HA ILE A 28 6.021 -5.930 -3.558 1.00 0.00 H new ATOM 0 HB ILE A 28 5.889 -3.002 -4.022 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.576 -3.489 -6.296 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.792 -5.190 -5.934 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.354 -3.292 -4.568 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.007 -3.693 -2.869 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.238 -4.994 -4.061 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.810 -4.830 -7.307 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.348 -5.466 -5.711 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.129 -3.738 -6.078 1.00 0.00 H new ATOM 439 N ILE A 29 6.188 -5.754 -1.058 1.00 0.00 N ATOM 440 CA ILE A 29 6.429 -5.709 0.366 1.00 0.00 C ATOM 441 C ILE A 29 7.933 -5.597 0.521 1.00 0.00 C ATOM 442 O ILE A 29 8.638 -6.554 0.219 1.00 0.00 O ATOM 443 CB ILE A 29 5.811 -6.937 1.063 1.00 0.00 C ATOM 444 CG1 ILE A 29 4.279 -6.781 1.063 1.00 0.00 C ATOM 445 CG2 ILE A 29 6.349 -7.052 2.500 1.00 0.00 C ATOM 446 CD1 ILE A 29 3.547 -8.074 1.426 1.00 0.00 C ATOM 0 H ILE A 29 6.354 -6.676 -1.461 1.00 0.00 H new ATOM 0 HA ILE A 29 5.951 -4.859 0.852 1.00 0.00 H new ATOM 0 HB ILE A 29 6.081 -7.848 0.530 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.999 -6.000 1.770 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.953 -6.450 0.077 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.907 -7.922 2.985 1.00 0.00 H new ATOM 0 HG22 ILE A 29 7.433 -7.162 2.475 1.00 0.00 H new ATOM 0 HG23 ILE A 29 6.088 -6.153 3.059 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.471 -7.900 1.409 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.801 -8.851 0.704 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.847 -8.394 2.424 1.00 0.00 H new ATOM 458 N TYR A 30 8.419 -4.425 0.923 1.00 0.00 N ATOM 459 CA TYR A 30 9.827 -4.187 1.217 1.00 0.00 C ATOM 460 C TYR A 30 10.059 -4.396 2.709 1.00 0.00 C ATOM 461 O TYR A 30 9.280 -3.900 3.530 1.00 0.00 O ATOM 462 CB TYR A 30 10.180 -2.743 0.832 1.00 0.00 C ATOM 463 CG TYR A 30 11.646 -2.401 0.980 1.00 0.00 C ATOM 464 CD1 TYR A 30 12.582 -2.961 0.096 1.00 0.00 C ATOM 465 CD2 TYR A 30 12.076 -1.550 2.017 1.00 0.00 C ATOM 466 CE1 TYR A 30 13.950 -2.678 0.239 1.00 0.00 C ATOM 467 CE2 TYR A 30 13.443 -1.257 2.164 1.00 0.00 C ATOM 468 CZ TYR A 30 14.383 -1.813 1.268 1.00 0.00 C ATOM 469 OH TYR A 30 15.702 -1.522 1.388 1.00 0.00 O ATOM 0 H TYR A 30 7.834 -3.600 1.055 1.00 0.00 H new ATOM 0 HA TYR A 30 10.455 -4.875 0.651 1.00 0.00 H new ATOM 0 HB2 TYR A 30 9.881 -2.572 -0.202 1.00 0.00 H new ATOM 0 HB3 TYR A 30 9.596 -2.061 1.450 1.00 0.00 H new ATOM 0 HD1 TYR A 30 12.248 -3.613 -0.698 1.00 0.00 H new ATOM 0 HD2 TYR A 30 11.356 -1.123 2.699 1.00 0.00 H new ATOM 0 HE1 TYR A 30 14.668 -3.120 -0.435 1.00 0.00 H new ATOM 0 HE2 TYR A 30 13.774 -0.608 2.961 1.00 0.00 H new ATOM 0 HH TYR A 30 15.835 -0.913 2.144 1.00 0.00 H new ATOM 479 N ASP A 31 11.116 -5.126 3.052 1.00 0.00 N ATOM 480 CA ASP A 31 11.514 -5.472 4.409 1.00 0.00 C ATOM 481 C ASP A 31 12.598 -4.533 4.919 1.00 0.00 C ATOM 482 O ASP A 31 13.714 -4.528 4.391 1.00 0.00 O ATOM 483 CB ASP A 31 11.995 -6.929 4.472 1.00 0.00 C ATOM 484 CG ASP A 31 11.907 -7.481 5.893 1.00 0.00 C ATOM 485 OD1 ASP A 31 12.043 -6.691 6.852 1.00 0.00 O ATOM 486 OD2 ASP A 31 11.637 -8.694 6.037 1.00 0.00 O ATOM 0 H ASP A 31 11.750 -5.512 2.352 1.00 0.00 H new ATOM 0 HA ASP A 31 10.642 -5.363 5.054 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.392 -7.543 3.803 1.00 0.00 H new ATOM 0 HB3 ASP A 31 13.024 -6.990 4.119 1.00 0.00 H new ATOM 491 N THR A 32 12.298 -3.741 5.952 1.00 0.00 N ATOM 492 CA THR A 32 13.228 -2.733 6.464 1.00 0.00 C ATOM 493 C THR A 32 14.191 -3.352 7.494 1.00 0.00 C ATOM 494 O THR A 32 14.658 -2.690 8.424 1.00 0.00 O ATOM 495 CB THR A 32 12.470 -1.476 6.934 1.00 0.00 C ATOM 496 OG1 THR A 32 11.671 -1.716 8.066 1.00 0.00 O ATOM 497 CG2 THR A 32 11.555 -0.913 5.836 1.00 0.00 C ATOM 0 H THR A 32 11.410 -3.780 6.453 1.00 0.00 H new ATOM 0 HA THR A 32 13.874 -2.379 5.661 1.00 0.00 H new ATOM 0 HB THR A 32 13.250 -0.757 7.183 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.863 -2.203 7.799 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.040 -0.028 6.210 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.154 -0.644 4.966 1.00 0.00 H new ATOM 0 HG23 THR A 32 10.821 -1.667 5.552 1.00 0.00 H new ATOM 505 N GLU A 33 14.487 -4.641 7.333 1.00 0.00 N ATOM 506 CA GLU A 33 15.644 -5.301 7.900 1.00 0.00 C ATOM 507 C GLU A 33 16.499 -5.678 6.723 1.00 0.00 C ATOM 508 O GLU A 33 17.352 -4.868 6.347 1.00 0.00 O ATOM 509 CB GLU A 33 15.289 -6.462 8.838 1.00 0.00 C ATOM 510 CG GLU A 33 14.698 -5.934 10.156 1.00 0.00 C ATOM 511 CD GLU A 33 14.842 -6.941 11.298 1.00 0.00 C ATOM 512 OE1 GLU A 33 14.273 -8.047 11.168 1.00 0.00 O ATOM 513 OE2 GLU A 33 15.527 -6.646 12.313 1.00 0.00 O ATOM 0 H GLU A 33 13.902 -5.270 6.783 1.00 0.00 H new ATOM 0 HA GLU A 33 16.195 -4.643 8.572 1.00 0.00 H new ATOM 0 HB2 GLU A 33 14.572 -7.123 8.351 1.00 0.00 H new ATOM 0 HB3 GLU A 33 16.180 -7.055 9.045 1.00 0.00 H new ATOM 0 HG2 GLU A 33 15.197 -5.004 10.429 1.00 0.00 H new ATOM 0 HG3 GLU A 33 13.643 -5.700 10.011 1.00 0.00 H new ATOM 520 N SER A 34 16.283 -6.832 6.091 1.00 0.00 N ATOM 521 CA SER A 34 17.355 -7.279 5.216 1.00 0.00 C ATOM 522 C SER A 34 17.110 -6.795 3.775 1.00 0.00 C ATOM 523 O SER A 34 17.609 -7.385 2.819 1.00 0.00 O ATOM 524 CB SER A 34 17.464 -8.809 5.339 1.00 0.00 C ATOM 525 OG SER A 34 18.684 -9.277 4.797 1.00 0.00 O ATOM 0 H SER A 34 15.455 -7.424 6.157 1.00 0.00 H new ATOM 0 HA SER A 34 18.312 -6.847 5.511 1.00 0.00 H new ATOM 0 HB2 SER A 34 17.393 -9.099 6.387 1.00 0.00 H new ATOM 0 HB3 SER A 34 16.628 -9.279 4.821 1.00 0.00 H new ATOM 0 HG SER A 34 18.838 -8.855 3.926 1.00 0.00 H new ATOM 531 N GLY A 35 16.542 -5.589 3.613 1.00 0.00 N ATOM 532 CA GLY A 35 16.259 -4.943 2.333 1.00 0.00 C ATOM 533 C GLY A 35 15.538 -5.849 1.328 1.00 0.00 C ATOM 534 O GLY A 35 15.598 -5.602 0.124 1.00 0.00 O ATOM 0 H GLY A 35 16.257 -5.018 4.409 1.00 0.00 H new ATOM 0 HA2 GLY A 35 15.650 -4.057 2.511 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.197 -4.603 1.893 1.00 0.00 H new ATOM 538 N ASN A 36 14.917 -6.930 1.809 1.00 0.00 N ATOM 539 CA ASN A 36 14.260 -7.935 0.991 1.00 0.00 C ATOM 540 C ASN A 36 13.014 -7.335 0.382 1.00 0.00 C ATOM 541 O ASN A 36 12.457 -6.362 0.895 1.00 0.00 O ATOM 542 CB ASN A 36 13.904 -9.175 1.834 1.00 0.00 C ATOM 543 CG ASN A 36 15.078 -10.134 1.922 1.00 0.00 C ATOM 544 OD1 ASN A 36 16.079 -9.854 2.564 1.00 0.00 O ATOM 545 ND2 ASN A 36 15.004 -11.274 1.272 1.00 0.00 N ATOM 0 H ASN A 36 14.860 -7.129 2.808 1.00 0.00 H new ATOM 0 HA ASN A 36 14.937 -8.254 0.198 1.00 0.00 H new ATOM 0 HB2 ASN A 36 13.609 -8.864 2.836 1.00 0.00 H new ATOM 0 HB3 ASN A 36 13.047 -9.684 1.393 1.00 0.00 H new ATOM 0 HD21 ASN A 36 15.785 -11.930 1.302 1.00 0.00 H new ATOM 0 HD22 ASN A 36 14.166 -11.503 0.738 1.00 0.00 H new ATOM 552 N VAL A 37 12.529 -7.969 -0.678 1.00 0.00 N ATOM 553 CA VAL A 37 11.267 -7.620 -1.279 1.00 0.00 C ATOM 554 C VAL A 37 10.501 -8.897 -1.607 1.00 0.00 C ATOM 555 O VAL A 37 11.083 -9.951 -1.877 1.00 0.00 O ATOM 556 CB VAL A 37 11.437 -6.691 -2.502 1.00 0.00 C ATOM 557 CG1 VAL A 37 10.291 -5.670 -2.500 1.00 0.00 C ATOM 558 CG2 VAL A 37 12.756 -5.903 -2.592 1.00 0.00 C ATOM 0 H VAL A 37 13.009 -8.741 -1.140 1.00 0.00 H new ATOM 0 HA VAL A 37 10.681 -7.041 -0.565 1.00 0.00 H new ATOM 0 HB VAL A 37 11.437 -7.364 -3.360 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.395 -5.005 -3.357 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.337 -6.194 -2.560 1.00 0.00 H new ATOM 0 HG13 VAL A 37 10.326 -5.085 -1.581 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.753 -5.290 -3.493 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.857 -5.262 -1.717 1.00 0.00 H new ATOM 0 HG23 VAL A 37 13.594 -6.599 -2.630 1.00 0.00 H new ATOM 568 N GLU A 38 9.181 -8.789 -1.610 1.00 0.00 N ATOM 569 CA GLU A 38 8.231 -9.803 -2.018 1.00 0.00 C ATOM 570 C GLU A 38 7.277 -9.070 -2.945 1.00 0.00 C ATOM 571 O GLU A 38 6.702 -8.059 -2.547 1.00 0.00 O ATOM 572 CB GLU A 38 7.523 -10.366 -0.776 1.00 0.00 C ATOM 573 CG GLU A 38 6.275 -11.211 -1.074 1.00 0.00 C ATOM 574 CD GLU A 38 6.621 -12.656 -1.423 1.00 0.00 C ATOM 575 OE1 GLU A 38 6.960 -12.937 -2.593 1.00 0.00 O ATOM 576 OE2 GLU A 38 6.544 -13.520 -0.521 1.00 0.00 O ATOM 0 H GLU A 38 8.718 -7.932 -1.307 1.00 0.00 H new ATOM 0 HA GLU A 38 8.684 -10.658 -2.520 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.232 -10.976 -0.216 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.237 -9.536 -0.130 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.615 -11.198 -0.207 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.724 -10.762 -1.901 1.00 0.00 H new ATOM 583 N VAL A 39 7.113 -9.546 -4.172 1.00 0.00 N ATOM 584 CA VAL A 39 6.030 -9.090 -5.028 1.00 0.00 C ATOM 585 C VAL A 39 4.857 -10.009 -4.717 1.00 0.00 C ATOM 586 O VAL A 39 4.833 -11.161 -5.150 1.00 0.00 O ATOM 587 CB VAL A 39 6.406 -9.098 -6.525 1.00 0.00 C ATOM 588 CG1 VAL A 39 5.251 -8.501 -7.349 1.00 0.00 C ATOM 589 CG2 VAL A 39 7.685 -8.296 -6.809 1.00 0.00 C ATOM 0 H VAL A 39 7.718 -10.249 -4.596 1.00 0.00 H new ATOM 0 HA VAL A 39 5.784 -8.047 -4.828 1.00 0.00 H new ATOM 0 HB VAL A 39 6.589 -10.135 -6.808 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.517 -8.507 -8.406 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.351 -9.097 -7.198 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.066 -7.476 -7.027 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.908 -8.332 -7.875 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.540 -7.260 -6.503 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.516 -8.726 -6.250 1.00 0.00 H new ATOM 599 N VAL A 40 3.874 -9.512 -3.978 1.00 0.00 N ATOM 600 CA VAL A 40 2.567 -10.140 -3.968 1.00 0.00 C ATOM 601 C VAL A 40 1.876 -9.681 -5.251 1.00 0.00 C ATOM 602 O VAL A 40 1.980 -8.523 -5.646 1.00 0.00 O ATOM 603 CB VAL A 40 1.821 -9.710 -2.690 1.00 0.00 C ATOM 604 CG1 VAL A 40 0.294 -9.742 -2.815 1.00 0.00 C ATOM 605 CG2 VAL A 40 2.262 -10.577 -1.501 1.00 0.00 C ATOM 0 H VAL A 40 3.958 -8.686 -3.386 1.00 0.00 H new ATOM 0 HA VAL A 40 2.605 -11.229 -3.949 1.00 0.00 H new ATOM 0 HB VAL A 40 2.093 -8.667 -2.525 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.155 -9.426 -1.873 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.020 -9.067 -3.611 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.031 -10.756 -3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.728 -10.263 -0.604 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.037 -11.623 -1.710 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.334 -10.461 -1.344 1.00 0.00 H new ATOM 615 N GLU A 41 1.137 -10.585 -5.876 1.00 0.00 N ATOM 616 CA GLU A 41 0.151 -10.312 -6.909 1.00 0.00 C ATOM 617 C GLU A 41 -1.213 -10.294 -6.219 1.00 0.00 C ATOM 618 O GLU A 41 -1.470 -11.127 -5.336 1.00 0.00 O ATOM 619 CB GLU A 41 0.245 -11.469 -7.906 1.00 0.00 C ATOM 620 CG GLU A 41 -0.847 -11.530 -8.976 1.00 0.00 C ATOM 621 CD GLU A 41 -0.771 -12.892 -9.658 1.00 0.00 C ATOM 622 OE1 GLU A 41 -1.205 -13.895 -9.039 1.00 0.00 O ATOM 623 OE2 GLU A 41 -0.234 -12.975 -10.778 1.00 0.00 O ATOM 0 H GLU A 41 1.213 -11.580 -5.665 1.00 0.00 H new ATOM 0 HA GLU A 41 0.306 -9.366 -7.427 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.212 -11.412 -8.406 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.230 -12.405 -7.347 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.829 -11.385 -8.526 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.710 -10.732 -9.705 1.00 0.00 H new ATOM 630 N ASN A 42 -2.113 -9.393 -6.613 1.00 0.00 N ATOM 631 CA ASN A 42 -3.511 -9.436 -6.192 1.00 0.00 C ATOM 632 C ASN A 42 -4.378 -8.914 -7.331 1.00 0.00 C ATOM 633 O ASN A 42 -3.924 -8.078 -8.105 1.00 0.00 O ATOM 634 CB ASN A 42 -3.691 -8.657 -4.884 1.00 0.00 C ATOM 635 CG ASN A 42 -4.869 -9.195 -4.075 1.00 0.00 C ATOM 636 OD1 ASN A 42 -5.926 -9.480 -4.617 1.00 0.00 O ATOM 637 ND2 ASN A 42 -4.737 -9.397 -2.775 1.00 0.00 N ATOM 0 H ASN A 42 -1.892 -8.614 -7.233 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.825 -10.458 -5.980 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.779 -8.723 -4.290 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.851 -7.602 -5.106 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.512 -9.786 -2.238 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -3.860 -9.164 -2.309 1.00 0.00 H new ATOM 644 N THR A 43 -5.593 -9.422 -7.504 1.00 0.00 N ATOM 645 CA THR A 43 -6.323 -9.232 -8.754 1.00 0.00 C ATOM 646 C THR A 43 -7.729 -8.702 -8.467 1.00 0.00 C ATOM 647 O THR A 43 -8.704 -9.180 -9.044 1.00 0.00 O ATOM 648 CB THR A 43 -6.238 -10.511 -9.624 1.00 0.00 C ATOM 649 OG1 THR A 43 -7.052 -11.569 -9.151 1.00 0.00 O ATOM 650 CG2 THR A 43 -4.808 -11.052 -9.785 1.00 0.00 C ATOM 0 H THR A 43 -6.092 -9.966 -6.800 1.00 0.00 H new ATOM 0 HA THR A 43 -5.860 -8.458 -9.366 1.00 0.00 H new ATOM 0 HB THR A 43 -6.606 -10.176 -10.594 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.978 -11.258 -9.068 1.00 0.00 H new ATOM 0 HG21 THR A 43 -4.826 -11.948 -10.406 1.00 0.00 H new ATOM 0 HG22 THR A 43 -4.184 -10.294 -10.259 1.00 0.00 H new ATOM 0 HG23 THR A 43 -4.399 -11.298 -8.805 1.00 0.00 H new ATOM 658 N ILE A 44 -7.870 -7.719 -7.570 1.00 0.00 N ATOM 659 CA ILE A 44 -9.171 -7.388 -7.016 1.00 0.00 C ATOM 660 C ILE A 44 -10.001 -6.562 -8.004 1.00 0.00 C ATOM 661 O ILE A 44 -9.948 -5.334 -8.047 1.00 0.00 O ATOM 662 CB ILE A 44 -9.029 -6.716 -5.644 1.00 0.00 C ATOM 663 CG1 ILE A 44 -7.901 -5.706 -5.444 1.00 0.00 C ATOM 664 CG2 ILE A 44 -8.886 -7.750 -4.580 1.00 0.00 C ATOM 665 CD1 ILE A 44 -6.506 -6.141 -4.955 1.00 0.00 C ATOM 0 H ILE A 44 -7.101 -7.148 -7.220 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.723 -8.314 -6.853 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.948 -6.133 -5.583 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.758 -5.198 -6.398 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.266 -4.960 -4.738 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.786 -7.263 -3.610 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -9.768 -8.391 -4.575 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -8.000 -8.354 -4.776 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.857 -5.268 -4.882 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.594 -6.611 -3.975 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.078 -6.853 -5.661 1.00 0.00 H new ATOM 677 N ALA A 45 -10.822 -7.268 -8.775 1.00 0.00 N ATOM 678 CA ALA A 45 -11.762 -6.742 -9.751 1.00 0.00 C ATOM 679 C ALA A 45 -13.189 -7.037 -9.274 1.00 0.00 C ATOM 680 O ALA A 45 -14.060 -7.400 -10.065 1.00 0.00 O ATOM 681 CB ALA A 45 -11.438 -7.416 -11.086 1.00 0.00 C ATOM 0 H ALA A 45 -10.848 -8.287 -8.730 1.00 0.00 H new ATOM 0 HA ALA A 45 -11.683 -5.661 -9.871 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -12.121 -7.051 -11.853 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.413 -7.182 -11.372 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.549 -8.496 -10.985 1.00 0.00 H new ATOM 687 N ASP A 46 -13.417 -6.912 -7.969 1.00 0.00 N ATOM 688 CA ASP A 46 -14.561 -7.418 -7.217 1.00 0.00 C ATOM 689 C ASP A 46 -14.700 -6.610 -5.920 1.00 0.00 C ATOM 690 O ASP A 46 -13.901 -5.699 -5.675 1.00 0.00 O ATOM 691 CB ASP A 46 -14.349 -8.913 -6.898 1.00 0.00 C ATOM 692 CG ASP A 46 -13.148 -9.235 -5.995 1.00 0.00 C ATOM 693 OD1 ASP A 46 -12.319 -8.350 -5.677 1.00 0.00 O ATOM 694 OD2 ASP A 46 -13.041 -10.395 -5.540 1.00 0.00 O ATOM 0 H ASP A 46 -12.759 -6.418 -7.366 1.00 0.00 H new ATOM 0 HA ASP A 46 -15.472 -7.313 -7.806 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.252 -9.296 -6.422 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.230 -9.453 -7.837 1.00 0.00 H new ATOM 699 N ALA A 47 -15.708 -6.937 -5.101 1.00 0.00 N ATOM 700 CA ALA A 47 -15.950 -6.547 -3.705 1.00 0.00 C ATOM 701 C ALA A 47 -17.427 -6.746 -3.383 1.00 0.00 C ATOM 702 O ALA A 47 -18.154 -5.770 -3.182 1.00 0.00 O ATOM 703 CB ALA A 47 -15.497 -5.133 -3.342 1.00 0.00 C ATOM 0 H ALA A 47 -16.454 -7.547 -5.436 1.00 0.00 H new ATOM 0 HA ALA A 47 -15.327 -7.196 -3.090 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -15.718 -4.938 -2.292 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -14.424 -5.040 -3.510 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -16.026 -4.411 -3.964 1.00 0.00 H new ATOM 709 N HIS A 48 -17.873 -7.999 -3.341 1.00 0.00 N ATOM 710 CA HIS A 48 -19.272 -8.369 -3.146 1.00 0.00 C ATOM 711 C HIS A 48 -19.625 -8.376 -1.643 1.00 0.00 C ATOM 712 O HIS A 48 -20.235 -9.321 -1.146 1.00 0.00 O ATOM 713 CB HIS A 48 -19.512 -9.714 -3.866 1.00 0.00 C ATOM 714 CG HIS A 48 -20.929 -9.998 -4.314 1.00 0.00 C ATOM 715 ND1 HIS A 48 -21.478 -11.252 -4.475 1.00 0.00 N ATOM 716 CD2 HIS A 48 -21.839 -9.092 -4.792 1.00 0.00 C ATOM 717 CE1 HIS A 48 -22.689 -11.107 -5.033 1.00 0.00 C ATOM 718 NE2 HIS A 48 -22.962 -9.804 -5.229 1.00 0.00 N ATOM 0 H HIS A 48 -17.256 -8.805 -3.444 1.00 0.00 H new ATOM 0 HA HIS A 48 -19.948 -7.636 -3.586 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -18.864 -9.753 -4.741 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -19.197 -10.518 -3.200 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -21.712 -8.020 -4.826 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -23.351 -11.921 -5.289 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -23.819 -9.412 -5.619 1.00 0.00 H new ATOM 726 N GLY A 49 -19.232 -7.330 -0.905 1.00 0.00 N ATOM 727 CA GLY A 49 -19.541 -7.152 0.517 1.00 0.00 C ATOM 728 C GLY A 49 -18.622 -7.931 1.468 1.00 0.00 C ATOM 729 O GLY A 49 -18.945 -8.078 2.645 1.00 0.00 O ATOM 0 H GLY A 49 -18.677 -6.566 -1.291 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -19.479 -6.091 0.760 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -20.572 -7.460 0.694 1.00 0.00 H new ATOM 733 N THR A 50 -17.512 -8.478 0.976 1.00 0.00 N ATOM 734 CA THR A 50 -16.665 -9.437 1.680 1.00 0.00 C ATOM 735 C THR A 50 -15.594 -8.782 2.583 1.00 0.00 C ATOM 736 O THR A 50 -15.478 -7.555 2.667 1.00 0.00 O ATOM 737 CB THR A 50 -16.081 -10.394 0.617 1.00 0.00 C ATOM 738 OG1 THR A 50 -15.772 -9.728 -0.597 1.00 0.00 O ATOM 739 CG2 THR A 50 -17.095 -11.475 0.245 1.00 0.00 C ATOM 0 H THR A 50 -17.166 -8.257 0.042 1.00 0.00 H new ATOM 0 HA THR A 50 -17.264 -10.000 2.396 1.00 0.00 H new ATOM 0 HB THR A 50 -15.180 -10.811 1.067 1.00 0.00 H new ATOM 0 HG1 THR A 50 -15.404 -10.371 -1.239 1.00 0.00 H new ATOM 0 HG21 THR A 50 -16.662 -12.137 -0.505 1.00 0.00 H new ATOM 0 HG22 THR A 50 -17.354 -12.052 1.133 1.00 0.00 H new ATOM 0 HG23 THR A 50 -17.993 -11.008 -0.159 1.00 0.00 H new ATOM 747 N GLY A 51 -14.810 -9.617 3.279 1.00 0.00 N ATOM 748 CA GLY A 51 -13.691 -9.252 4.149 1.00 0.00 C ATOM 749 C GLY A 51 -12.527 -8.610 3.382 1.00 0.00 C ATOM 750 O GLY A 51 -12.609 -8.457 2.159 1.00 0.00 O ATOM 0 H GLY A 51 -14.952 -10.627 3.245 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -14.042 -8.559 4.914 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -13.333 -10.142 4.666 1.00 0.00 H new ATOM 754 N PRO A 52 -11.426 -8.230 4.061 1.00 0.00 N ATOM 755 CA PRO A 52 -10.425 -7.353 3.472 1.00 0.00 C ATOM 756 C PRO A 52 -9.720 -7.987 2.276 1.00 0.00 C ATOM 757 O PRO A 52 -9.324 -7.268 1.359 1.00 0.00 O ATOM 758 CB PRO A 52 -9.429 -7.041 4.581 1.00 0.00 C ATOM 759 CG PRO A 52 -9.605 -8.146 5.617 1.00 0.00 C ATOM 760 CD PRO A 52 -11.070 -8.565 5.433 1.00 0.00 C ATOM 0 HA PRO A 52 -10.900 -6.451 3.085 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.409 -7.023 4.197 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.623 -6.061 5.017 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.923 -8.977 5.440 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.413 -7.786 6.628 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.194 -9.632 5.617 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -11.715 -8.043 6.140 1.00 0.00 H new ATOM 768 N LYS A 53 -9.543 -9.313 2.299 1.00 0.00 N ATOM 769 CA LYS A 53 -8.642 -10.136 1.499 1.00 0.00 C ATOM 770 C LYS A 53 -7.213 -9.603 1.498 1.00 0.00 C ATOM 771 O LYS A 53 -6.383 -10.155 2.209 1.00 0.00 O ATOM 772 CB LYS A 53 -9.273 -10.545 0.154 1.00 0.00 C ATOM 773 CG LYS A 53 -9.068 -9.608 -1.047 1.00 0.00 C ATOM 774 CD LYS A 53 -10.054 -9.942 -2.172 1.00 0.00 C ATOM 775 CE LYS A 53 -11.232 -8.957 -2.108 1.00 0.00 C ATOM 776 NZ LYS A 53 -12.292 -9.265 -3.082 1.00 0.00 N ATOM 0 H LYS A 53 -10.083 -9.889 2.944 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.508 -11.103 1.984 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.881 -11.526 -0.115 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.346 -10.662 0.309 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -9.204 -8.573 -0.734 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.046 -9.698 -1.414 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.558 -9.875 -3.140 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.412 -10.966 -2.068 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.655 -8.969 -1.103 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.864 -7.947 -2.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.222 -9.165 -2.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.227 -8.607 -3.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.177 -10.241 -3.423 1.00 0.00 H new ATOM 790 N VAL A 54 -6.936 -8.510 0.793 1.00 0.00 N ATOM 791 CA VAL A 54 -5.615 -7.923 0.638 1.00 0.00 C ATOM 792 C VAL A 54 -5.017 -7.668 2.013 1.00 0.00 C ATOM 793 O VAL A 54 -3.942 -8.170 2.310 1.00 0.00 O ATOM 794 CB VAL A 54 -5.686 -6.659 -0.258 1.00 0.00 C ATOM 795 CG1 VAL A 54 -6.885 -5.724 -0.061 1.00 0.00 C ATOM 796 CG2 VAL A 54 -4.409 -5.827 -0.177 1.00 0.00 C ATOM 0 H VAL A 54 -7.658 -7.990 0.295 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.947 -8.612 0.122 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.817 -7.101 -1.246 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.808 -4.883 -0.750 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.808 -6.270 -0.256 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.893 -5.353 0.964 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.503 -4.952 -0.820 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.249 -5.505 0.852 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.561 -6.429 -0.505 1.00 0.00 H new ATOM 806 N VAL A 55 -5.714 -6.901 2.847 1.00 0.00 N ATOM 807 CA VAL A 55 -5.254 -6.499 4.167 1.00 0.00 C ATOM 808 C VAL A 55 -4.949 -7.745 4.969 1.00 0.00 C ATOM 809 O VAL A 55 -3.786 -7.903 5.298 1.00 0.00 O ATOM 810 CB VAL A 55 -6.248 -5.504 4.809 1.00 0.00 C ATOM 811 CG1 VAL A 55 -5.535 -4.601 5.801 1.00 0.00 C ATOM 812 CG2 VAL A 55 -6.940 -4.615 3.748 1.00 0.00 C ATOM 0 H VAL A 55 -6.637 -6.534 2.615 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.321 -5.937 4.120 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.004 -6.101 5.318 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.251 -3.908 6.242 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.086 -5.208 6.587 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.756 -4.039 5.286 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.630 -3.930 4.241 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.187 -4.043 3.205 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.491 -5.244 3.049 1.00 0.00 H new ATOM 822 N GLN A 56 -5.909 -8.661 5.140 1.00 0.00 N ATOM 823 CA GLN A 56 -5.710 -9.932 5.829 1.00 0.00 C ATOM 824 C GLN A 56 -4.365 -10.582 5.441 1.00 0.00 C ATOM 825 O GLN A 56 -3.537 -10.869 6.306 1.00 0.00 O ATOM 826 CB GLN A 56 -6.896 -10.875 5.557 1.00 0.00 C ATOM 827 CG GLN A 56 -7.878 -10.953 6.739 1.00 0.00 C ATOM 828 CD GLN A 56 -7.460 -12.036 7.717 1.00 0.00 C ATOM 829 OE1 GLN A 56 -7.631 -13.222 7.441 1.00 0.00 O ATOM 830 NE2 GLN A 56 -6.852 -11.678 8.829 1.00 0.00 N ATOM 0 H GLN A 56 -6.861 -8.533 4.796 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.668 -9.738 6.901 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -7.429 -10.534 4.669 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.518 -11.874 5.338 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -7.916 -9.991 7.250 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.883 -11.158 6.370 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.719 -10.689 9.042 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -6.514 -12.389 9.477 1.00 0.00 H new ATOM 839 N SER A 57 -4.136 -10.771 4.141 1.00 0.00 N ATOM 840 CA SER A 57 -2.972 -11.412 3.565 1.00 0.00 C ATOM 841 C SER A 57 -1.676 -10.648 3.801 1.00 0.00 C ATOM 842 O SER A 57 -0.704 -11.241 4.274 1.00 0.00 O ATOM 843 CB SER A 57 -3.268 -11.544 2.069 1.00 0.00 C ATOM 844 OG SER A 57 -4.436 -12.325 1.867 1.00 0.00 O ATOM 0 H SER A 57 -4.799 -10.461 3.430 1.00 0.00 H new ATOM 0 HA SER A 57 -2.808 -12.378 4.043 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.402 -10.556 1.629 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.421 -12.006 1.563 1.00 0.00 H new ATOM 0 HG SER A 57 -5.229 -11.755 1.947 1.00 0.00 H new ATOM 850 N LEU A 58 -1.636 -9.363 3.440 1.00 0.00 N ATOM 851 CA LEU A 58 -0.447 -8.525 3.534 1.00 0.00 C ATOM 852 C LEU A 58 -0.028 -8.387 4.993 1.00 0.00 C ATOM 853 O LEU A 58 1.150 -8.503 5.310 1.00 0.00 O ATOM 854 CB LEU A 58 -0.717 -7.125 2.964 1.00 0.00 C ATOM 855 CG LEU A 58 -1.025 -7.016 1.462 1.00 0.00 C ATOM 856 CD1 LEU A 58 -1.307 -5.546 1.144 1.00 0.00 C ATOM 857 CD2 LEU A 58 0.083 -7.523 0.544 1.00 0.00 C ATOM 0 H LEU A 58 -2.447 -8.870 3.067 1.00 0.00 H new ATOM 0 HA LEU A 58 0.347 -8.998 2.956 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.556 -6.695 3.511 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.153 -6.503 3.175 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.883 -7.660 1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.529 -5.440 0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.161 -5.204 1.729 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.432 -4.945 1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.224 -7.406 -0.495 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.993 -6.949 0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.273 -8.576 0.750 1.00 0.00 H new ATOM 869 N VAL A 59 -0.995 -8.170 5.879 1.00 0.00 N ATOM 870 CA VAL A 59 -0.812 -8.082 7.316 1.00 0.00 C ATOM 871 C VAL A 59 -0.096 -9.328 7.838 1.00 0.00 C ATOM 872 O VAL A 59 0.836 -9.198 8.627 1.00 0.00 O ATOM 873 CB VAL A 59 -2.204 -7.842 7.934 1.00 0.00 C ATOM 874 CG1 VAL A 59 -2.311 -8.235 9.406 1.00 0.00 C ATOM 875 CG2 VAL A 59 -2.561 -6.356 7.796 1.00 0.00 C ATOM 0 H VAL A 59 -1.968 -8.046 5.599 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.166 -7.252 7.602 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.896 -8.483 7.388 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.321 -8.035 9.764 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.091 -9.297 9.516 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.597 -7.654 9.990 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.544 -6.176 8.230 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.818 -5.753 8.318 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.575 -6.082 6.741 1.00 0.00 H new ATOM 885 N SER A 60 -0.446 -10.527 7.362 1.00 0.00 N ATOM 886 CA SER A 60 0.243 -11.745 7.776 1.00 0.00 C ATOM 887 C SER A 60 1.699 -11.843 7.267 1.00 0.00 C ATOM 888 O SER A 60 2.363 -12.837 7.562 1.00 0.00 O ATOM 889 CB SER A 60 -0.582 -12.967 7.371 1.00 0.00 C ATOM 890 OG SER A 60 -1.926 -12.840 7.809 1.00 0.00 O ATOM 0 H SER A 60 -1.200 -10.676 6.692 1.00 0.00 H new ATOM 0 HA SER A 60 0.329 -11.710 8.862 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.558 -13.084 6.288 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.140 -13.867 7.798 1.00 0.00 H new ATOM 0 HG SER A 60 -2.391 -12.181 7.252 1.00 0.00 H new ATOM 896 N LYS A 61 2.219 -10.849 6.532 1.00 0.00 N ATOM 897 CA LYS A 61 3.647 -10.669 6.257 1.00 0.00 C ATOM 898 C LYS A 61 4.176 -9.435 7.010 1.00 0.00 C ATOM 899 O LYS A 61 5.022 -8.714 6.488 1.00 0.00 O ATOM 900 CB LYS A 61 3.861 -10.512 4.735 1.00 0.00 C ATOM 901 CG LYS A 61 3.620 -11.780 3.904 1.00 0.00 C ATOM 902 CD LYS A 61 2.409 -11.717 2.955 1.00 0.00 C ATOM 903 CE LYS A 61 2.667 -12.749 1.851 1.00 0.00 C ATOM 904 NZ LYS A 61 1.495 -13.058 1.008 1.00 0.00 N ATOM 0 H LYS A 61 1.639 -10.129 6.101 1.00 0.00 H new ATOM 0 HA LYS A 61 4.199 -11.543 6.602 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.198 -9.727 4.371 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.882 -10.172 4.562 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.514 -11.985 3.315 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.486 -12.622 4.584 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.486 -11.942 3.489 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.298 -10.718 2.534 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.471 -12.384 1.212 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.020 -13.672 2.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.760 -13.763 0.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.731 -13.439 1.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.168 -12.190 0.537 1.00 0.00 H new ATOM 918 N GLY A 62 3.719 -9.196 8.243 1.00 0.00 N ATOM 919 CA GLY A 62 4.207 -8.141 9.130 1.00 0.00 C ATOM 920 C GLY A 62 4.288 -6.758 8.491 1.00 0.00 C ATOM 921 O GLY A 62 5.195 -5.981 8.809 1.00 0.00 O ATOM 0 H GLY A 62 2.974 -9.752 8.663 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.554 -8.086 10.001 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.197 -8.418 9.491 1.00 0.00 H new ATOM 925 N VAL A 63 3.378 -6.467 7.559 1.00 0.00 N ATOM 926 CA VAL A 63 3.307 -5.207 6.844 1.00 0.00 C ATOM 927 C VAL A 63 2.780 -4.159 7.830 1.00 0.00 C ATOM 928 O VAL A 63 1.571 -4.000 7.977 1.00 0.00 O ATOM 929 CB VAL A 63 2.436 -5.392 5.585 1.00 0.00 C ATOM 930 CG1 VAL A 63 2.064 -4.085 4.879 1.00 0.00 C ATOM 931 CG2 VAL A 63 3.180 -6.248 4.551 1.00 0.00 C ATOM 0 H VAL A 63 2.652 -7.126 7.278 1.00 0.00 H new ATOM 0 HA VAL A 63 4.276 -4.863 6.483 1.00 0.00 H new ATOM 0 HB VAL A 63 1.522 -5.863 5.946 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.452 -4.305 4.005 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.503 -3.448 5.564 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.972 -3.570 4.566 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.557 -6.373 3.666 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.111 -5.755 4.272 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.401 -7.225 4.980 1.00 0.00 H new ATOM 941 N GLU A 64 3.678 -3.462 8.521 1.00 0.00 N ATOM 942 CA GLU A 64 3.368 -2.508 9.580 1.00 0.00 C ATOM 943 C GLU A 64 3.306 -1.079 9.034 1.00 0.00 C ATOM 944 O GLU A 64 3.442 -0.109 9.776 1.00 0.00 O ATOM 945 CB GLU A 64 4.622 -2.574 10.484 1.00 0.00 C ATOM 946 CG GLU A 64 4.670 -3.832 11.365 1.00 0.00 C ATOM 947 CD GLU A 64 4.253 -3.535 12.802 1.00 0.00 C ATOM 948 OE1 GLU A 64 3.156 -2.978 13.014 1.00 0.00 O ATOM 949 OE2 GLU A 64 5.070 -3.806 13.717 1.00 0.00 O ATOM 0 H GLU A 64 4.680 -3.550 8.351 1.00 0.00 H new ATOM 0 HA GLU A 64 2.418 -2.737 10.062 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.514 -2.542 9.859 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.648 -1.691 11.122 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.013 -4.594 10.946 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.680 -4.243 11.357 1.00 0.00 H new ATOM 956 N TYR A 65 2.849 -0.892 7.800 1.00 0.00 N ATOM 957 CA TYR A 65 3.169 0.298 7.035 1.00 0.00 C ATOM 958 C TYR A 65 2.662 0.086 5.611 1.00 0.00 C ATOM 959 O TYR A 65 2.480 -1.048 5.164 1.00 0.00 O ATOM 960 CB TYR A 65 4.692 0.531 6.942 1.00 0.00 C ATOM 961 CG TYR A 65 5.469 1.221 8.064 1.00 0.00 C ATOM 962 CD1 TYR A 65 4.880 2.267 8.796 1.00 0.00 C ATOM 963 CD2 TYR A 65 6.847 0.975 8.234 1.00 0.00 C ATOM 964 CE1 TYR A 65 5.636 3.050 9.684 1.00 0.00 C ATOM 965 CE2 TYR A 65 7.620 1.758 9.117 1.00 0.00 C ATOM 966 CZ TYR A 65 7.016 2.811 9.843 1.00 0.00 C ATOM 967 OH TYR A 65 7.742 3.641 10.644 1.00 0.00 O ATOM 0 H TYR A 65 2.252 -1.558 7.309 1.00 0.00 H new ATOM 0 HA TYR A 65 2.709 1.154 7.528 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.152 -0.446 6.793 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.868 1.108 6.034 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.827 2.472 8.673 1.00 0.00 H new ATOM 0 HD2 TYR A 65 7.317 0.176 7.680 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.158 3.838 10.247 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.673 1.553 9.239 1.00 0.00 H new ATOM 0 HH TYR A 65 8.677 3.349 10.656 1.00 0.00 H new ATOM 977 N LEU A 66 2.481 1.167 4.860 1.00 0.00 N ATOM 978 CA LEU A 66 1.929 1.147 3.510 1.00 0.00 C ATOM 979 C LEU A 66 2.137 2.522 2.881 1.00 0.00 C ATOM 980 O LEU A 66 2.020 3.517 3.580 1.00 0.00 O ATOM 981 CB LEU A 66 0.435 0.788 3.612 1.00 0.00 C ATOM 982 CG LEU A 66 -0.438 1.148 2.396 1.00 0.00 C ATOM 983 CD1 LEU A 66 -0.100 0.440 1.076 1.00 0.00 C ATOM 984 CD2 LEU A 66 -1.895 0.823 2.718 1.00 0.00 C ATOM 0 H LEU A 66 2.720 2.105 5.181 1.00 0.00 H new ATOM 0 HA LEU A 66 2.424 0.407 2.881 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.352 -0.285 3.787 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.022 1.287 4.489 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.243 2.208 2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.784 0.777 0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.924 0.677 0.788 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.200 -0.638 1.205 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.522 1.075 1.862 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.991 -0.240 2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.214 1.402 3.584 1.00 0.00 H new ATOM 996 N ILE A 67 2.351 2.593 1.569 1.00 0.00 N ATOM 997 CA ILE A 67 2.507 3.826 0.797 1.00 0.00 C ATOM 998 C ILE A 67 1.375 3.869 -0.220 1.00 0.00 C ATOM 999 O ILE A 67 1.388 3.071 -1.147 1.00 0.00 O ATOM 1000 CB ILE A 67 3.905 3.808 0.128 1.00 0.00 C ATOM 1001 CG1 ILE A 67 4.992 3.933 1.218 1.00 0.00 C ATOM 1002 CG2 ILE A 67 4.081 4.994 -0.826 1.00 0.00 C ATOM 1003 CD1 ILE A 67 6.395 3.456 0.858 1.00 0.00 C ATOM 0 H ILE A 67 2.424 1.757 0.989 1.00 0.00 H new ATOM 0 HA ILE A 67 2.451 4.721 1.417 1.00 0.00 H new ATOM 0 HB ILE A 67 3.995 2.874 -0.427 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.056 4.980 1.513 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.659 3.375 2.093 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.072 4.953 -1.279 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.322 4.948 -1.607 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.974 5.926 -0.271 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.058 3.600 1.711 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.364 2.398 0.597 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.767 4.028 0.008 1.00 0.00 H new ATOM 1015 N ALA A 68 0.349 4.705 -0.044 1.00 0.00 N ATOM 1016 CA ALA A 68 -0.873 4.634 -0.828 1.00 0.00 C ATOM 1017 C ALA A 68 -1.610 5.971 -0.854 1.00 0.00 C ATOM 1018 O ALA A 68 -2.192 6.401 0.142 1.00 0.00 O ATOM 1019 CB ALA A 68 -1.797 3.598 -0.211 1.00 0.00 C ATOM 0 H ALA A 68 0.349 5.451 0.651 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.598 4.367 -1.848 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.717 3.538 -0.793 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.304 2.626 -0.210 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -2.034 3.886 0.813 1.00 0.00 H new ATOM 1025 N SER A 69 -1.656 6.586 -2.029 1.00 0.00 N ATOM 1026 CA SER A 69 -2.224 7.920 -2.242 1.00 0.00 C ATOM 1027 C SER A 69 -3.670 8.099 -1.776 1.00 0.00 C ATOM 1028 O SER A 69 -4.140 9.210 -1.536 1.00 0.00 O ATOM 1029 CB SER A 69 -2.102 8.273 -3.723 1.00 0.00 C ATOM 1030 OG SER A 69 -3.289 8.330 -4.477 1.00 0.00 O ATOM 0 H SER A 69 -1.292 6.165 -2.884 1.00 0.00 H new ATOM 0 HA SER A 69 -1.647 8.599 -1.614 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.609 9.242 -3.798 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.442 7.542 -4.190 1.00 0.00 H new ATOM 0 HG SER A 69 -3.124 8.818 -5.310 1.00 0.00 H new ATOM 1036 N ASN A 70 -4.394 6.993 -1.730 1.00 0.00 N ATOM 1037 CA ASN A 70 -5.767 6.808 -1.349 1.00 0.00 C ATOM 1038 C ASN A 70 -5.878 5.332 -1.030 1.00 0.00 C ATOM 1039 O ASN A 70 -4.984 4.525 -1.328 1.00 0.00 O ATOM 1040 CB ASN A 70 -6.705 7.084 -2.539 1.00 0.00 C ATOM 1041 CG ASN A 70 -7.552 8.327 -2.331 1.00 0.00 C ATOM 1042 OD1 ASN A 70 -8.774 8.265 -2.455 1.00 0.00 O ATOM 1043 ND2 ASN A 70 -6.945 9.457 -2.034 1.00 0.00 N ATOM 0 H ASN A 70 -3.973 6.102 -1.992 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.038 7.471 -0.527 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.112 7.199 -3.446 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.357 6.224 -2.691 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.490 10.309 -1.901 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.930 9.480 -1.937 1.00 0.00 H new ATOM 1050 N VAL A 71 -7.064 4.927 -0.609 1.00 0.00 N ATOM 1051 CA VAL A 71 -7.487 3.570 -0.851 1.00 0.00 C ATOM 1052 C VAL A 71 -8.759 3.600 -1.712 1.00 0.00 C ATOM 1053 O VAL A 71 -9.330 4.671 -1.904 1.00 0.00 O ATOM 1054 CB VAL A 71 -7.538 2.831 0.481 1.00 0.00 C ATOM 1055 CG1 VAL A 71 -6.417 3.147 1.493 1.00 0.00 C ATOM 1056 CG2 VAL A 71 -8.795 3.119 1.264 1.00 0.00 C ATOM 0 H VAL A 71 -7.735 5.509 -0.108 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.786 2.983 -1.445 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.453 1.803 0.130 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -6.567 2.558 2.398 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -5.450 2.899 1.054 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -6.441 4.208 1.743 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.774 2.565 2.202 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -8.856 4.187 1.474 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -9.664 2.814 0.682 1.00 0.00 H new ATOM 1066 N GLY A 72 -9.163 2.468 -2.298 1.00 0.00 N ATOM 1067 CA GLY A 72 -10.249 2.442 -3.283 1.00 0.00 C ATOM 1068 C GLY A 72 -11.645 2.302 -2.665 1.00 0.00 C ATOM 1069 O GLY A 72 -12.624 2.514 -3.378 1.00 0.00 O ATOM 0 H GLY A 72 -8.752 1.554 -2.106 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.214 3.358 -3.873 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.082 1.613 -3.971 1.00 0.00 H new ATOM 1073 N ARG A 73 -11.706 1.970 -1.368 1.00 0.00 N ATOM 1074 CA ARG A 73 -12.816 1.881 -0.408 1.00 0.00 C ATOM 1075 C ARG A 73 -12.499 0.781 0.610 1.00 0.00 C ATOM 1076 O ARG A 73 -11.499 0.078 0.444 1.00 0.00 O ATOM 1077 CB ARG A 73 -14.234 1.735 -1.018 1.00 0.00 C ATOM 1078 CG ARG A 73 -14.519 0.392 -1.707 1.00 0.00 C ATOM 1079 CD ARG A 73 -16.007 0.241 -2.055 1.00 0.00 C ATOM 1080 NE ARG A 73 -16.445 1.196 -3.086 1.00 0.00 N ATOM 1081 CZ ARG A 73 -17.715 1.501 -3.379 1.00 0.00 C ATOM 1082 NH1 ARG A 73 -18.742 0.870 -2.817 1.00 0.00 N ATOM 1083 NH2 ARG A 73 -17.947 2.468 -4.250 1.00 0.00 N ATOM 0 H ARG A 73 -10.838 1.718 -0.896 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.877 2.851 0.085 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -14.969 1.881 -0.226 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.383 2.535 -1.743 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -13.922 0.315 -2.616 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.213 -0.425 -1.054 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.194 -0.775 -2.403 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.604 0.385 -1.154 1.00 0.00 H new ATOM 0 HE ARG A 73 -15.717 1.666 -3.624 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -18.575 0.127 -2.139 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -19.697 1.129 -3.064 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -17.167 2.963 -4.682 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -18.906 2.719 -4.490 1.00 0.00 H new ATOM 1097 N ASN A 74 -13.358 0.656 1.625 1.00 0.00 N ATOM 1098 CA ASN A 74 -13.508 -0.400 2.630 1.00 0.00 C ATOM 1099 C ASN A 74 -12.220 -1.193 2.869 1.00 0.00 C ATOM 1100 O ASN A 74 -12.080 -2.332 2.408 1.00 0.00 O ATOM 1101 CB ASN A 74 -14.695 -1.299 2.257 1.00 0.00 C ATOM 1102 CG ASN A 74 -15.223 -2.117 3.431 1.00 0.00 C ATOM 1103 OD1 ASN A 74 -16.416 -2.068 3.702 1.00 0.00 O ATOM 1104 ND2 ASN A 74 -14.414 -2.895 4.124 1.00 0.00 N ATOM 0 H ASN A 74 -14.053 1.386 1.781 1.00 0.00 H new ATOM 0 HA ASN A 74 -13.719 0.075 3.588 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.501 -0.680 1.862 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.392 -1.976 1.458 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.781 -3.460 4.890 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -13.421 -2.932 3.894 1.00 0.00 H new ATOM 1111 N ALA A 75 -11.268 -0.577 3.568 1.00 0.00 N ATOM 1112 CA ALA A 75 -9.985 -1.160 3.957 1.00 0.00 C ATOM 1113 C ALA A 75 -9.261 -0.327 5.001 1.00 0.00 C ATOM 1114 O ALA A 75 -8.393 -0.852 5.685 1.00 0.00 O ATOM 1115 CB ALA A 75 -9.069 -1.224 2.726 1.00 0.00 C ATOM 0 H ALA A 75 -11.375 0.384 3.893 1.00 0.00 H new ATOM 0 HA ALA A 75 -10.198 -2.146 4.371 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.110 -1.658 3.008 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.534 -1.841 1.958 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.912 -0.218 2.337 1.00 0.00 H new ATOM 1121 N PHE A 76 -9.537 0.974 5.091 1.00 0.00 N ATOM 1122 CA PHE A 76 -8.745 1.877 5.909 1.00 0.00 C ATOM 1123 C PHE A 76 -8.751 1.471 7.363 1.00 0.00 C ATOM 1124 O PHE A 76 -7.679 1.457 7.957 1.00 0.00 O ATOM 1125 CB PHE A 76 -9.248 3.301 5.705 1.00 0.00 C ATOM 1126 CG PHE A 76 -8.964 4.297 6.823 1.00 0.00 C ATOM 1127 CD1 PHE A 76 -7.699 4.870 6.913 1.00 0.00 C ATOM 1128 CD2 PHE A 76 -9.935 4.684 7.765 1.00 0.00 C ATOM 1129 CE1 PHE A 76 -7.414 5.923 7.786 1.00 0.00 C ATOM 1130 CE2 PHE A 76 -9.647 5.697 8.701 1.00 0.00 C ATOM 1131 CZ PHE A 76 -8.400 6.347 8.691 1.00 0.00 C ATOM 0 H PHE A 76 -10.311 1.424 4.601 1.00 0.00 H new ATOM 0 HA PHE A 76 -7.703 1.825 5.593 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -8.809 3.688 4.786 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -10.326 3.262 5.551 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -6.908 4.487 6.285 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -10.902 4.204 7.771 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.448 6.405 7.765 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.391 5.977 9.433 1.00 0.00 H new ATOM 0 HZ PHE A 76 -8.203 7.162 9.371 1.00 0.00 H new ATOM 1141 N GLU A 77 -9.901 1.129 7.922 1.00 0.00 N ATOM 1142 CA GLU A 77 -9.995 0.745 9.319 1.00 0.00 C ATOM 1143 C GLU A 77 -9.254 -0.579 9.524 1.00 0.00 C ATOM 1144 O GLU A 77 -8.557 -0.759 10.518 1.00 0.00 O ATOM 1145 CB GLU A 77 -11.467 0.618 9.720 1.00 0.00 C ATOM 1146 CG GLU A 77 -12.178 1.975 9.634 1.00 0.00 C ATOM 1147 CD GLU A 77 -13.688 1.809 9.562 1.00 0.00 C ATOM 1148 OE1 GLU A 77 -14.199 1.696 8.420 1.00 0.00 O ATOM 1149 OE2 GLU A 77 -14.354 1.853 10.618 1.00 0.00 O ATOM 0 H GLU A 77 -10.790 1.110 7.422 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.535 1.506 9.950 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.965 -0.100 9.068 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.539 0.229 10.736 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.918 2.579 10.503 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.828 2.515 8.755 1.00 0.00 H new ATOM 1156 N THR A 78 -9.285 -1.461 8.526 1.00 0.00 N ATOM 1157 CA THR A 78 -8.639 -2.759 8.550 1.00 0.00 C ATOM 1158 C THR A 78 -7.119 -2.601 8.467 1.00 0.00 C ATOM 1159 O THR A 78 -6.385 -3.530 8.792 1.00 0.00 O ATOM 1160 CB THR A 78 -9.228 -3.630 7.410 1.00 0.00 C ATOM 1161 OG1 THR A 78 -10.557 -3.207 7.115 1.00 0.00 O ATOM 1162 CG2 THR A 78 -9.236 -5.099 7.824 1.00 0.00 C ATOM 0 H THR A 78 -9.779 -1.279 7.652 1.00 0.00 H new ATOM 0 HA THR A 78 -8.835 -3.270 9.493 1.00 0.00 H new ATOM 0 HB THR A 78 -8.608 -3.514 6.521 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.923 -3.759 6.393 1.00 0.00 H new ATOM 0 HG21 THR A 78 -9.651 -5.702 7.017 1.00 0.00 H new ATOM 0 HG22 THR A 78 -8.217 -5.424 8.032 1.00 0.00 H new ATOM 0 HG23 THR A 78 -9.846 -5.221 8.719 1.00 0.00 H new ATOM 1170 N LEU A 79 -6.634 -1.416 8.070 1.00 0.00 N ATOM 1171 CA LEU A 79 -5.211 -1.115 8.053 1.00 0.00 C ATOM 1172 C LEU A 79 -4.800 -0.776 9.478 1.00 0.00 C ATOM 1173 O LEU A 79 -3.930 -1.418 10.049 1.00 0.00 O ATOM 1174 CB LEU A 79 -4.910 -0.001 7.020 1.00 0.00 C ATOM 1175 CG LEU A 79 -5.097 -0.481 5.563 1.00 0.00 C ATOM 1176 CD1 LEU A 79 -5.213 0.647 4.522 1.00 0.00 C ATOM 1177 CD2 LEU A 79 -3.946 -1.398 5.160 1.00 0.00 C ATOM 0 H LEU A 79 -7.223 -0.646 7.754 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.615 -1.967 7.727 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.565 0.850 7.206 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.887 0.349 7.156 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.051 -1.008 5.560 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.342 0.215 3.530 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.073 1.274 4.759 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.307 1.253 4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.088 -1.730 4.132 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.004 -0.856 5.239 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.922 -2.264 5.821 1.00 0.00 H new ATOM 1189 N LYS A 80 -5.480 0.186 10.090 1.00 0.00 N ATOM 1190 CA LYS A 80 -5.254 0.585 11.474 1.00 0.00 C ATOM 1191 C LYS A 80 -5.442 -0.574 12.449 1.00 0.00 C ATOM 1192 O LYS A 80 -4.706 -0.653 13.429 1.00 0.00 O ATOM 1193 CB LYS A 80 -6.052 1.829 11.861 1.00 0.00 C ATOM 1194 CG LYS A 80 -7.231 2.238 10.996 1.00 0.00 C ATOM 1195 CD LYS A 80 -6.934 3.464 10.115 1.00 0.00 C ATOM 1196 CE LYS A 80 -5.536 3.394 9.466 1.00 0.00 C ATOM 1197 NZ LYS A 80 -5.493 3.231 8.020 1.00 0.00 N ATOM 0 H LYS A 80 -6.217 0.720 9.630 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.205 0.872 11.549 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -6.422 1.682 12.876 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.359 2.669 11.893 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.515 1.400 10.359 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.086 2.456 11.636 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -7.691 3.540 9.334 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -7.007 4.369 10.719 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.996 4.306 9.722 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.992 2.564 9.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.536 2.945 7.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.174 2.500 7.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.738 4.132 7.562 1.00 0.00 H new ATOM 1211 N ALA A 81 -6.346 -1.507 12.145 1.00 0.00 N ATOM 1212 CA ALA A 81 -6.549 -2.716 12.922 1.00 0.00 C ATOM 1213 C ALA A 81 -5.251 -3.502 13.118 1.00 0.00 C ATOM 1214 O ALA A 81 -5.059 -4.062 14.196 1.00 0.00 O ATOM 1215 CB ALA A 81 -7.613 -3.586 12.249 1.00 0.00 C ATOM 0 H ALA A 81 -6.965 -1.436 11.337 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.892 -2.424 13.914 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.764 -4.493 12.834 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.550 -3.033 12.189 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.283 -3.852 11.245 1.00 0.00 H new ATOM 1221 N ALA A 82 -4.354 -3.528 12.127 1.00 0.00 N ATOM 1222 CA ALA A 82 -3.061 -4.192 12.243 1.00 0.00 C ATOM 1223 C ALA A 82 -1.921 -3.164 12.271 1.00 0.00 C ATOM 1224 O ALA A 82 -0.828 -3.424 11.767 1.00 0.00 O ATOM 1225 CB ALA A 82 -2.949 -5.121 11.031 1.00 0.00 C ATOM 0 H ALA A 82 -4.509 -3.086 11.221 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.984 -4.757 13.172 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.996 -5.648 11.064 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.764 -5.844 11.050 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.007 -4.533 10.115 1.00 0.00 H new ATOM 1231 N GLY A 83 -2.156 -2.025 12.923 1.00 0.00 N ATOM 1232 CA GLY A 83 -1.245 -0.895 13.026 1.00 0.00 C ATOM 1233 C GLY A 83 -0.559 -0.472 11.729 1.00 0.00 C ATOM 1234 O GLY A 83 0.564 0.031 11.767 1.00 0.00 O ATOM 0 H GLY A 83 -3.033 -1.862 13.417 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.798 -0.041 13.417 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.476 -1.139 13.759 1.00 0.00 H new ATOM 1238 N VAL A 84 -1.201 -0.660 10.581 1.00 0.00 N ATOM 1239 CA VAL A 84 -0.591 -0.429 9.285 1.00 0.00 C ATOM 1240 C VAL A 84 -0.635 1.060 9.003 1.00 0.00 C ATOM 1241 O VAL A 84 -1.660 1.574 8.544 1.00 0.00 O ATOM 1242 CB VAL A 84 -1.270 -1.290 8.203 1.00 0.00 C ATOM 1243 CG1 VAL A 84 -0.520 -1.245 6.865 1.00 0.00 C ATOM 1244 CG2 VAL A 84 -1.382 -2.743 8.670 1.00 0.00 C ATOM 0 H VAL A 84 -2.168 -0.980 10.528 1.00 0.00 H new ATOM 0 HA VAL A 84 0.454 -0.739 9.279 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.264 -0.871 8.046 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.039 -1.868 6.136 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.483 -0.217 6.503 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.495 -1.618 7.004 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.864 -3.338 7.894 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.386 -3.140 8.866 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.976 -2.787 9.583 1.00 0.00 H new ATOM 1254 N LYS A 85 0.472 1.759 9.279 1.00 0.00 N ATOM 1255 CA LYS A 85 0.499 3.202 9.122 1.00 0.00 C ATOM 1256 C LYS A 85 0.682 3.537 7.645 1.00 0.00 C ATOM 1257 O LYS A 85 1.714 3.251 7.039 1.00 0.00 O ATOM 1258 CB LYS A 85 1.539 3.850 10.046 1.00 0.00 C ATOM 1259 CG LYS A 85 1.863 5.305 9.654 1.00 0.00 C ATOM 1260 CD LYS A 85 2.796 5.914 10.697 1.00 0.00 C ATOM 1261 CE LYS A 85 3.381 7.266 10.284 1.00 0.00 C ATOM 1262 NZ LYS A 85 3.642 8.120 11.456 1.00 0.00 N ATOM 0 H LYS A 85 1.346 1.348 9.607 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.452 3.632 9.437 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.170 3.828 11.072 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.455 3.260 10.024 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.332 5.333 8.670 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.945 5.888 9.586 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.251 6.035 11.633 1.00 0.00 H new ATOM 0 HD3 LYS A 85 3.613 5.219 10.891 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.308 7.110 9.732 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.690 7.772 9.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.854 8.787 11.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.732 7.526 12.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.524 8.651 11.309 1.00 0.00 H new ATOM 1276 N VAL A 86 -0.360 4.111 7.065 1.00 0.00 N ATOM 1277 CA VAL A 86 -0.506 4.365 5.642 1.00 0.00 C ATOM 1278 C VAL A 86 0.020 5.766 5.358 1.00 0.00 C ATOM 1279 O VAL A 86 -0.379 6.734 6.005 1.00 0.00 O ATOM 1280 CB VAL A 86 -1.997 4.270 5.315 1.00 0.00 C ATOM 1281 CG1 VAL A 86 -2.363 4.429 3.840 1.00 0.00 C ATOM 1282 CG2 VAL A 86 -2.592 2.959 5.869 1.00 0.00 C ATOM 0 H VAL A 86 -1.167 4.428 7.602 1.00 0.00 H new ATOM 0 HA VAL A 86 0.049 3.649 5.035 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.439 5.134 5.811 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.443 4.345 3.722 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.035 5.407 3.487 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.872 3.649 3.257 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.653 2.910 5.626 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.078 2.108 5.422 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.466 2.931 6.951 1.00 0.00 H new ATOM 1292 N TYR A 87 0.867 5.886 4.352 1.00 0.00 N ATOM 1293 CA TYR A 87 1.359 7.129 3.797 1.00 0.00 C ATOM 1294 C TYR A 87 0.587 7.475 2.530 1.00 0.00 C ATOM 1295 O TYR A 87 -0.030 6.598 1.934 1.00 0.00 O ATOM 1296 CB TYR A 87 2.860 6.960 3.539 1.00 0.00 C ATOM 1297 CG TYR A 87 3.700 7.257 4.771 1.00 0.00 C ATOM 1298 CD1 TYR A 87 3.749 6.401 5.895 1.00 0.00 C ATOM 1299 CD2 TYR A 87 4.439 8.444 4.786 1.00 0.00 C ATOM 1300 CE1 TYR A 87 4.555 6.741 6.996 1.00 0.00 C ATOM 1301 CE2 TYR A 87 5.220 8.810 5.883 1.00 0.00 C ATOM 1302 CZ TYR A 87 5.286 7.952 7.005 1.00 0.00 C ATOM 1303 OH TYR A 87 6.037 8.262 8.094 1.00 0.00 O ATOM 0 H TYR A 87 1.251 5.070 3.875 1.00 0.00 H new ATOM 0 HA TYR A 87 1.210 7.959 4.487 1.00 0.00 H new ATOM 0 HB2 TYR A 87 3.056 5.940 3.207 1.00 0.00 H new ATOM 0 HB3 TYR A 87 3.163 7.623 2.728 1.00 0.00 H new ATOM 0 HD1 TYR A 87 3.170 5.490 5.908 1.00 0.00 H new ATOM 0 HD2 TYR A 87 4.404 9.095 3.925 1.00 0.00 H new ATOM 0 HE1 TYR A 87 4.616 6.072 7.842 1.00 0.00 H new ATOM 0 HE2 TYR A 87 5.769 9.740 5.875 1.00 0.00 H new ATOM 0 HH TYR A 87 6.481 9.124 7.951 1.00 0.00 H new ATOM 1313 N ARG A 88 0.644 8.733 2.098 1.00 0.00 N ATOM 1314 CA ARG A 88 0.278 9.183 0.757 1.00 0.00 C ATOM 1315 C ARG A 88 1.471 8.839 -0.136 1.00 0.00 C ATOM 1316 O ARG A 88 2.580 8.668 0.353 1.00 0.00 O ATOM 1317 CB ARG A 88 0.053 10.716 0.803 1.00 0.00 C ATOM 1318 CG ARG A 88 -0.391 11.445 -0.491 1.00 0.00 C ATOM 1319 CD ARG A 88 -1.801 12.058 -0.427 1.00 0.00 C ATOM 1320 NE ARG A 88 -2.013 13.129 -1.423 1.00 0.00 N ATOM 1321 CZ ARG A 88 -2.698 14.274 -1.251 1.00 0.00 C ATOM 1322 NH1 ARG A 88 -3.301 14.577 -0.107 1.00 0.00 N ATOM 1323 NH2 ARG A 88 -2.816 15.119 -2.264 1.00 0.00 N ATOM 0 H ARG A 88 0.959 9.497 2.696 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.632 8.714 0.383 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.697 10.917 1.569 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.982 11.176 1.139 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.326 12.236 -0.711 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -0.353 10.740 -1.321 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.540 11.272 -0.584 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.971 12.460 0.572 1.00 0.00 H new ATOM 0 HE ARG A 88 -1.594 12.984 -2.342 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -3.254 13.931 0.681 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -3.811 15.456 -0.016 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.390 14.899 -3.164 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.333 15.990 -2.144 1.00 0.00 H new ATOM 1337 N PHE A 89 1.252 8.777 -1.437 1.00 0.00 N ATOM 1338 CA PHE A 89 2.240 8.799 -2.510 1.00 0.00 C ATOM 1339 C PHE A 89 1.647 9.725 -3.559 1.00 0.00 C ATOM 1340 O PHE A 89 0.424 9.785 -3.618 1.00 0.00 O ATOM 1341 CB PHE A 89 2.414 7.373 -3.040 1.00 0.00 C ATOM 1342 CG PHE A 89 2.471 7.216 -4.552 1.00 0.00 C ATOM 1343 CD1 PHE A 89 3.661 7.308 -5.310 1.00 0.00 C ATOM 1344 CD2 PHE A 89 1.251 6.984 -5.218 1.00 0.00 C ATOM 1345 CE1 PHE A 89 3.571 7.158 -6.694 1.00 0.00 C ATOM 1346 CE2 PHE A 89 1.170 6.900 -6.615 1.00 0.00 C ATOM 1347 CZ PHE A 89 2.346 6.989 -7.364 1.00 0.00 C ATOM 0 H PHE A 89 0.303 8.704 -1.804 1.00 0.00 H new ATOM 0 HA PHE A 89 3.225 9.147 -2.199 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.331 6.962 -2.619 1.00 0.00 H new ATOM 0 HB3 PHE A 89 1.590 6.766 -2.664 1.00 0.00 H new ATOM 0 HD1 PHE A 89 4.612 7.489 -4.831 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.350 6.867 -4.634 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.481 7.172 -7.276 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.216 6.769 -7.103 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.315 6.929 -8.442 1.00 0.00 H new ATOM 1357 N GLU A 90 2.417 10.424 -4.392 1.00 0.00 N ATOM 1358 CA GLU A 90 1.809 11.358 -5.337 1.00 0.00 C ATOM 1359 C GLU A 90 2.521 11.322 -6.681 1.00 0.00 C ATOM 1360 O GLU A 90 3.113 12.305 -7.118 1.00 0.00 O ATOM 1361 CB GLU A 90 1.757 12.777 -4.761 1.00 0.00 C ATOM 1362 CG GLU A 90 0.960 12.870 -3.460 1.00 0.00 C ATOM 1363 CD GLU A 90 0.421 14.273 -3.263 1.00 0.00 C ATOM 1364 OE1 GLU A 90 -0.670 14.543 -3.817 1.00 0.00 O ATOM 1365 OE2 GLU A 90 1.043 15.072 -2.528 1.00 0.00 O ATOM 0 H GLU A 90 3.434 10.365 -4.433 1.00 0.00 H new ATOM 0 HA GLU A 90 0.780 11.040 -5.505 1.00 0.00 H new ATOM 0 HB2 GLU A 90 2.774 13.127 -4.582 1.00 0.00 H new ATOM 0 HB3 GLU A 90 1.314 13.446 -5.499 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.135 12.158 -3.481 1.00 0.00 H new ATOM 0 HG3 GLU A 90 1.596 12.597 -2.618 1.00 0.00 H new ATOM 1372 N GLY A 91 2.414 10.182 -7.357 1.00 0.00 N ATOM 1373 CA GLY A 91 2.926 9.988 -8.705 1.00 0.00 C ATOM 1374 C GLY A 91 4.399 9.606 -8.654 1.00 0.00 C ATOM 1375 O GLY A 91 5.181 10.254 -7.959 1.00 0.00 O ATOM 0 H GLY A 91 1.960 9.353 -6.974 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.357 9.207 -9.210 1.00 0.00 H new ATOM 0 HA3 GLY A 91 2.799 10.902 -9.286 1.00 0.00 H new ATOM 1379 N GLY A 92 4.769 8.516 -9.322 1.00 0.00 N ATOM 1380 CA GLY A 92 6.019 7.818 -9.071 1.00 0.00 C ATOM 1381 C GLY A 92 5.851 6.331 -9.369 1.00 0.00 C ATOM 1382 O GLY A 92 4.737 5.796 -9.364 1.00 0.00 O ATOM 0 H GLY A 92 4.203 8.092 -10.057 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.810 8.236 -9.693 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.322 7.958 -8.033 1.00 0.00 H new ATOM 1386 N THR A 93 6.959 5.645 -9.584 1.00 0.00 N ATOM 1387 CA THR A 93 7.026 4.203 -9.683 1.00 0.00 C ATOM 1388 C THR A 93 7.266 3.589 -8.301 1.00 0.00 C ATOM 1389 O THR A 93 7.418 4.310 -7.315 1.00 0.00 O ATOM 1390 CB THR A 93 8.137 3.875 -10.679 1.00 0.00 C ATOM 1391 OG1 THR A 93 9.326 4.513 -10.254 1.00 0.00 O ATOM 1392 CG2 THR A 93 7.747 4.328 -12.093 1.00 0.00 C ATOM 0 H THR A 93 7.867 6.095 -9.698 1.00 0.00 H new ATOM 0 HA THR A 93 6.089 3.777 -10.040 1.00 0.00 H new ATOM 0 HB THR A 93 8.295 2.797 -10.714 1.00 0.00 H new ATOM 0 HG1 THR A 93 10.049 4.310 -10.883 1.00 0.00 H new ATOM 0 HG21 THR A 93 8.551 4.085 -12.788 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.835 3.816 -12.401 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.577 5.405 -12.096 1.00 0.00 H new ATOM 1400 N VAL A 94 7.246 2.256 -8.178 1.00 0.00 N ATOM 1401 CA VAL A 94 7.447 1.588 -6.896 1.00 0.00 C ATOM 1402 C VAL A 94 8.673 2.124 -6.151 1.00 0.00 C ATOM 1403 O VAL A 94 8.563 2.340 -4.950 1.00 0.00 O ATOM 1404 CB VAL A 94 7.440 0.066 -7.085 1.00 0.00 C ATOM 1405 CG1 VAL A 94 7.672 -0.675 -5.767 1.00 0.00 C ATOM 1406 CG2 VAL A 94 6.109 -0.411 -7.673 1.00 0.00 C ATOM 0 H VAL A 94 7.091 1.619 -8.960 1.00 0.00 H new ATOM 0 HA VAL A 94 6.609 1.823 -6.240 1.00 0.00 H new ATOM 0 HB VAL A 94 8.256 -0.159 -7.772 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.659 -1.750 -5.947 1.00 0.00 H new ATOM 0 HG12 VAL A 94 8.639 -0.388 -5.353 1.00 0.00 H new ATOM 0 HG13 VAL A 94 6.884 -0.416 -5.060 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.133 -1.494 -7.796 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.296 -0.140 -7.000 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.950 0.061 -8.643 1.00 0.00 H new ATOM 1416 N GLN A 95 9.792 2.407 -6.822 1.00 0.00 N ATOM 1417 CA GLN A 95 10.975 2.940 -6.155 1.00 0.00 C ATOM 1418 C GLN A 95 10.758 4.326 -5.544 1.00 0.00 C ATOM 1419 O GLN A 95 11.275 4.608 -4.467 1.00 0.00 O ATOM 1420 CB GLN A 95 12.161 2.954 -7.133 1.00 0.00 C ATOM 1421 CG GLN A 95 13.509 2.878 -6.404 1.00 0.00 C ATOM 1422 CD GLN A 95 14.694 3.131 -7.337 1.00 0.00 C ATOM 1423 OE1 GLN A 95 14.858 2.492 -8.378 1.00 0.00 O ATOM 1424 NE2 GLN A 95 15.551 4.077 -6.998 1.00 0.00 N ATOM 0 H GLN A 95 9.900 2.275 -7.828 1.00 0.00 H new ATOM 0 HA GLN A 95 11.194 2.277 -5.318 1.00 0.00 H new ATOM 0 HB2 GLN A 95 12.073 2.113 -7.821 1.00 0.00 H new ATOM 0 HB3 GLN A 95 12.125 3.863 -7.734 1.00 0.00 H new ATOM 0 HG2 GLN A 95 13.524 3.610 -5.597 1.00 0.00 H new ATOM 0 HG3 GLN A 95 13.615 1.895 -5.945 1.00 0.00 H new ATOM 0 HE21 GLN A 95 15.413 4.605 -6.136 1.00 0.00 H new ATOM 0 HE22 GLN A 95 16.350 4.280 -7.598 1.00 0.00 H new ATOM 1433 N GLU A 96 9.956 5.169 -6.182 1.00 0.00 N ATOM 1434 CA GLU A 96 9.697 6.539 -5.803 1.00 0.00 C ATOM 1435 C GLU A 96 8.912 6.556 -4.524 1.00 0.00 C ATOM 1436 O GLU A 96 9.237 7.373 -3.680 1.00 0.00 O ATOM 1437 CB GLU A 96 8.831 7.225 -6.850 1.00 0.00 C ATOM 1438 CG GLU A 96 9.565 7.611 -8.128 1.00 0.00 C ATOM 1439 CD GLU A 96 10.646 8.661 -7.857 1.00 0.00 C ATOM 1440 OE1 GLU A 96 10.302 9.700 -7.252 1.00 0.00 O ATOM 1441 OE2 GLU A 96 11.827 8.473 -8.227 1.00 0.00 O ATOM 0 H GLU A 96 9.445 4.894 -7.021 1.00 0.00 H new ATOM 0 HA GLU A 96 10.655 7.049 -5.700 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.004 6.564 -7.108 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.397 8.123 -6.411 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.020 6.724 -8.570 1.00 0.00 H new ATOM 0 HG3 GLU A 96 8.852 8.000 -8.855 1.00 0.00 H new ATOM 1448 N ALA A 97 7.919 5.676 -4.359 1.00 0.00 N ATOM 1449 CA ALA A 97 7.249 5.499 -3.087 1.00 0.00 C ATOM 1450 C ALA A 97 8.259 5.388 -1.935 1.00 0.00 C ATOM 1451 O ALA A 97 8.049 5.958 -0.871 1.00 0.00 O ATOM 1452 CB ALA A 97 6.341 4.267 -3.196 1.00 0.00 C ATOM 0 H ALA A 97 7.566 5.075 -5.104 1.00 0.00 H new ATOM 0 HA ALA A 97 6.637 6.371 -2.856 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.824 4.111 -2.249 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.609 4.424 -3.988 1.00 0.00 H new ATOM 0 HB3 ALA A 97 6.945 3.390 -3.428 1.00 0.00 H new ATOM 1458 N ILE A 98 9.365 4.676 -2.130 1.00 0.00 N ATOM 1459 CA ILE A 98 10.313 4.349 -1.071 1.00 0.00 C ATOM 1460 C ILE A 98 11.283 5.504 -0.909 1.00 0.00 C ATOM 1461 O ILE A 98 11.523 5.962 0.194 1.00 0.00 O ATOM 1462 CB ILE A 98 11.132 3.095 -1.458 1.00 0.00 C ATOM 1463 CG1 ILE A 98 10.323 2.046 -2.210 1.00 0.00 C ATOM 1464 CG2 ILE A 98 11.840 2.483 -0.238 1.00 0.00 C ATOM 1465 CD1 ILE A 98 9.016 1.606 -1.558 1.00 0.00 C ATOM 0 H ILE A 98 9.631 4.305 -3.042 1.00 0.00 H new ATOM 0 HA ILE A 98 9.763 4.163 -0.149 1.00 0.00 H new ATOM 0 HB ILE A 98 11.893 3.445 -2.155 1.00 0.00 H new ATOM 0 HG12 ILE A 98 10.096 2.435 -3.202 1.00 0.00 H new ATOM 0 HG13 ILE A 98 10.950 1.165 -2.349 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.405 1.604 -0.548 1.00 0.00 H new ATOM 0 HG22 ILE A 98 12.519 3.217 0.195 1.00 0.00 H new ATOM 0 HG23 ILE A 98 11.098 2.193 0.506 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.530 0.858 -2.185 1.00 0.00 H new ATOM 0 HD12 ILE A 98 9.225 1.177 -0.578 1.00 0.00 H new ATOM 0 HD13 ILE A 98 8.358 2.467 -1.445 1.00 0.00 H new ATOM 1477 N ASP A 99 11.847 5.967 -2.011 1.00 0.00 N ATOM 1478 CA ASP A 99 12.783 7.074 -2.153 1.00 0.00 C ATOM 1479 C ASP A 99 12.107 8.377 -1.721 1.00 0.00 C ATOM 1480 O ASP A 99 12.770 9.361 -1.408 1.00 0.00 O ATOM 1481 CB ASP A 99 13.236 7.157 -3.625 1.00 0.00 C ATOM 1482 CG ASP A 99 14.343 6.173 -4.028 1.00 0.00 C ATOM 1483 OD1 ASP A 99 15.044 5.574 -3.171 1.00 0.00 O ATOM 1484 OD2 ASP A 99 14.529 5.974 -5.249 1.00 0.00 O ATOM 0 H ASP A 99 11.644 5.539 -2.914 1.00 0.00 H new ATOM 0 HA ASP A 99 13.655 6.914 -1.519 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.370 6.986 -4.264 1.00 0.00 H new ATOM 0 HB3 ASP A 99 13.584 8.171 -3.824 1.00 0.00 H new ATOM 1489 N ALA A 100 10.774 8.382 -1.667 1.00 0.00 N ATOM 1490 CA ALA A 100 9.973 9.436 -1.084 1.00 0.00 C ATOM 1491 C ALA A 100 9.838 9.176 0.414 1.00 0.00 C ATOM 1492 O ALA A 100 10.340 9.964 1.206 1.00 0.00 O ATOM 1493 CB ALA A 100 8.634 9.551 -1.826 1.00 0.00 C ATOM 0 H ALA A 100 10.211 7.620 -2.045 1.00 0.00 H new ATOM 0 HA ALA A 100 10.453 10.408 -1.196 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.038 10.347 -1.380 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.818 9.780 -2.876 1.00 0.00 H new ATOM 0 HB3 ALA A 100 8.094 8.607 -1.750 1.00 0.00 H new ATOM 1499 N PHE A 101 9.198 8.076 0.825 1.00 0.00 N ATOM 1500 CA PHE A 101 8.925 7.778 2.233 1.00 0.00 C ATOM 1501 C PHE A 101 10.178 7.812 3.087 1.00 0.00 C ATOM 1502 O PHE A 101 10.178 8.412 4.167 1.00 0.00 O ATOM 1503 CB PHE A 101 8.279 6.391 2.364 1.00 0.00 C ATOM 1504 CG PHE A 101 8.452 5.704 3.720 1.00 0.00 C ATOM 1505 CD1 PHE A 101 7.912 6.282 4.887 1.00 0.00 C ATOM 1506 CD2 PHE A 101 9.214 4.517 3.829 1.00 0.00 C ATOM 1507 CE1 PHE A 101 8.118 5.679 6.142 1.00 0.00 C ATOM 1508 CE2 PHE A 101 9.361 3.880 5.077 1.00 0.00 C ATOM 1509 CZ PHE A 101 8.832 4.472 6.235 1.00 0.00 C ATOM 0 H PHE A 101 8.852 7.362 0.183 1.00 0.00 H new ATOM 0 HA PHE A 101 8.248 8.553 2.591 1.00 0.00 H new ATOM 0 HB2 PHE A 101 7.213 6.486 2.159 1.00 0.00 H new ATOM 0 HB3 PHE A 101 8.695 5.742 1.593 1.00 0.00 H new ATOM 0 HD1 PHE A 101 7.337 7.193 4.818 1.00 0.00 H new ATOM 0 HD2 PHE A 101 9.685 4.098 2.952 1.00 0.00 H new ATOM 0 HE1 PHE A 101 7.727 6.144 7.035 1.00 0.00 H new ATOM 0 HE2 PHE A 101 9.881 2.936 5.143 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.974 4.000 7.196 1.00 0.00 H new ATOM 1519 N SER A 102 11.203 7.088 2.644 1.00 0.00 N ATOM 1520 CA SER A 102 12.367 6.850 3.469 1.00 0.00 C ATOM 1521 C SER A 102 13.085 8.176 3.681 1.00 0.00 C ATOM 1522 O SER A 102 13.402 8.530 4.819 1.00 0.00 O ATOM 1523 CB SER A 102 13.220 5.738 2.859 1.00 0.00 C ATOM 1524 OG SER A 102 13.739 6.040 1.579 1.00 0.00 O ATOM 0 H SER A 102 11.244 6.660 1.719 1.00 0.00 H new ATOM 0 HA SER A 102 12.099 6.483 4.460 1.00 0.00 H new ATOM 0 HB2 SER A 102 14.049 5.521 3.533 1.00 0.00 H new ATOM 0 HB3 SER A 102 12.619 4.831 2.790 1.00 0.00 H new ATOM 0 HG SER A 102 13.005 6.283 0.977 1.00 0.00 H new ATOM 1530 N GLU A 103 13.187 8.985 2.626 1.00 0.00 N ATOM 1531 CA GLU A 103 13.762 10.315 2.708 1.00 0.00 C ATOM 1532 C GLU A 103 12.666 11.347 3.018 1.00 0.00 C ATOM 1533 O GLU A 103 12.761 12.512 2.646 1.00 0.00 O ATOM 1534 CB GLU A 103 14.500 10.599 1.383 1.00 0.00 C ATOM 1535 CG GLU A 103 15.462 9.461 0.978 1.00 0.00 C ATOM 1536 CD GLU A 103 16.378 9.821 -0.198 1.00 0.00 C ATOM 1537 OE1 GLU A 103 15.946 10.494 -1.157 1.00 0.00 O ATOM 1538 OE2 GLU A 103 17.578 9.448 -0.154 1.00 0.00 O ATOM 0 H GLU A 103 12.870 8.729 1.691 1.00 0.00 H new ATOM 0 HA GLU A 103 14.483 10.385 3.523 1.00 0.00 H new ATOM 0 HB2 GLU A 103 13.768 10.749 0.590 1.00 0.00 H new ATOM 0 HB3 GLU A 103 15.063 11.528 1.478 1.00 0.00 H new ATOM 0 HG2 GLU A 103 16.076 9.193 1.837 1.00 0.00 H new ATOM 0 HG3 GLU A 103 14.878 8.579 0.716 1.00 0.00 H new ATOM 1545 N GLY A 104 11.700 10.952 3.854 1.00 0.00 N ATOM 1546 CA GLY A 104 10.684 11.776 4.490 1.00 0.00 C ATOM 1547 C GLY A 104 9.805 12.627 3.575 1.00 0.00 C ATOM 1548 O GLY A 104 9.007 13.425 4.087 1.00 0.00 O ATOM 0 H GLY A 104 11.607 9.972 4.119 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.034 11.122 5.072 1.00 0.00 H new ATOM 0 HA3 GLY A 104 11.181 12.441 5.196 1.00 0.00 H new ATOM 1552 N ARG A 105 9.861 12.456 2.255 1.00 0.00 N ATOM 1553 CA ARG A 105 9.094 13.277 1.330 1.00 0.00 C ATOM 1554 C ARG A 105 7.698 12.719 1.103 1.00 0.00 C ATOM 1555 O ARG A 105 7.151 12.918 0.018 1.00 0.00 O ATOM 1556 CB ARG A 105 9.791 13.296 -0.039 1.00 0.00 C ATOM 1557 CG ARG A 105 11.287 13.641 -0.024 1.00 0.00 C ATOM 1558 CD ARG A 105 11.682 14.479 -1.245 1.00 0.00 C ATOM 1559 NE ARG A 105 11.161 15.850 -1.128 1.00 0.00 N ATOM 1560 CZ ARG A 105 11.578 16.744 -0.226 1.00 0.00 C ATOM 1561 NH1 ARG A 105 12.731 16.604 0.413 1.00 0.00 N ATOM 1562 NH2 ARG A 105 10.818 17.788 0.056 1.00 0.00 N ATOM 0 H ARG A 105 10.438 11.747 1.802 1.00 0.00 H new ATOM 0 HA ARG A 105 9.026 14.273 1.769 1.00 0.00 H new ATOM 0 HB2 ARG A 105 9.668 12.317 -0.501 1.00 0.00 H new ATOM 0 HB3 ARG A 105 9.278 14.016 -0.677 1.00 0.00 H new ATOM 0 HG2 ARG A 105 11.526 14.189 0.887 1.00 0.00 H new ATOM 0 HG3 ARG A 105 11.873 12.722 -0.007 1.00 0.00 H new ATOM 0 HD2 ARG A 105 12.768 14.504 -1.339 1.00 0.00 H new ATOM 0 HD3 ARG A 105 11.295 14.014 -2.152 1.00 0.00 H new ATOM 0 HE ARG A 105 10.431 16.138 -1.780 1.00 0.00 H new ATOM 0 HH11 ARG A 105 13.326 15.798 0.221 1.00 0.00 H new ATOM 0 HH12 ARG A 105 13.023 17.302 1.096 1.00 0.00 H new ATOM 0 HH21 ARG A 105 9.920 17.907 -0.413 1.00 0.00 H new ATOM 0 HH22 ARG A 105 11.129 18.475 0.743 1.00 0.00 H new ATOM 1576 N LEU A 106 7.043 12.154 2.117 1.00 0.00 N ATOM 1577 CA LEU A 106 5.659 11.741 1.992 1.00 0.00 C ATOM 1578 C LEU A 106 4.853 12.245 3.184 1.00 0.00 C ATOM 1579 O LEU A 106 5.395 12.755 4.171 1.00 0.00 O ATOM 1580 CB LEU A 106 5.569 10.209 1.851 1.00 0.00 C ATOM 1581 CG LEU A 106 6.020 9.646 0.496 1.00 0.00 C ATOM 1582 CD1 LEU A 106 5.736 8.141 0.447 1.00 0.00 C ATOM 1583 CD2 LEU A 106 5.333 10.278 -0.727 1.00 0.00 C ATOM 0 H LEU A 106 7.456 11.975 3.032 1.00 0.00 H new ATOM 0 HA LEU A 106 5.232 12.181 1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.174 9.753 2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.537 9.905 2.027 1.00 0.00 H new ATOM 0 HG LEU A 106 7.082 9.881 0.432 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.056 7.741 -0.515 1.00 0.00 H new ATOM 0 HD12 LEU A 106 6.282 7.641 1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.667 7.968 0.574 1.00 0.00 H new ATOM 0 HD21 LEU A 106 5.715 9.817 -1.638 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.257 10.117 -0.663 1.00 0.00 H new ATOM 0 HD23 LEU A 106 5.539 11.348 -0.748 1.00 0.00 H new ATOM 1595 N GLU A 107 3.540 12.068 3.102 1.00 0.00 N ATOM 1596 CA GLU A 107 2.585 12.424 4.140 1.00 0.00 C ATOM 1597 C GLU A 107 2.125 11.111 4.744 1.00 0.00 C ATOM 1598 O GLU A 107 2.032 10.123 4.022 1.00 0.00 O ATOM 1599 CB GLU A 107 1.354 13.146 3.557 1.00 0.00 C ATOM 1600 CG GLU A 107 1.629 14.055 2.350 1.00 0.00 C ATOM 1601 CD GLU A 107 0.353 14.747 1.863 1.00 0.00 C ATOM 1602 OE1 GLU A 107 -0.732 14.122 1.852 1.00 0.00 O ATOM 1603 OE2 GLU A 107 0.426 15.928 1.460 1.00 0.00 O ATOM 0 H GLU A 107 3.097 11.658 2.280 1.00 0.00 H new ATOM 0 HA GLU A 107 3.050 13.094 4.864 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.620 12.396 3.264 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.900 13.746 4.345 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.370 14.807 2.621 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.056 13.465 1.539 1.00 0.00 H new ATOM 1610 N GLU A 108 1.767 11.081 6.020 1.00 0.00 N ATOM 1611 CA GLU A 108 0.992 10.017 6.599 1.00 0.00 C ATOM 1612 C GLU A 108 -0.463 10.355 6.272 1.00 0.00 C ATOM 1613 O GLU A 108 -0.914 11.476 6.533 1.00 0.00 O ATOM 1614 CB GLU A 108 1.312 10.016 8.088 1.00 0.00 C ATOM 1615 CG GLU A 108 0.442 9.032 8.850 1.00 0.00 C ATOM 1616 CD GLU A 108 0.483 9.246 10.355 1.00 0.00 C ATOM 1617 OE1 GLU A 108 1.527 9.722 10.863 1.00 0.00 O ATOM 1618 OE2 GLU A 108 -0.568 9.037 10.992 1.00 0.00 O ATOM 0 H GLU A 108 2.016 11.813 6.685 1.00 0.00 H new ATOM 0 HA GLU A 108 1.203 9.016 6.223 1.00 0.00 H new ATOM 0 HB2 GLU A 108 2.362 9.762 8.234 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.167 11.018 8.492 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -0.588 9.122 8.504 1.00 0.00 H new ATOM 0 HG3 GLU A 108 0.767 8.017 8.624 1.00 0.00 H new ATOM 1625 N LEU A 109 -1.190 9.409 5.680 1.00 0.00 N ATOM 1626 CA LEU A 109 -2.519 9.615 5.127 1.00 0.00 C ATOM 1627 C LEU A 109 -3.539 8.836 5.942 1.00 0.00 C ATOM 1628 O LEU A 109 -4.167 7.880 5.464 1.00 0.00 O ATOM 1629 CB LEU A 109 -2.539 9.209 3.658 1.00 0.00 C ATOM 1630 CG LEU A 109 -3.821 9.699 2.974 1.00 0.00 C ATOM 1631 CD1 LEU A 109 -3.786 11.185 2.642 1.00 0.00 C ATOM 1632 CD2 LEU A 109 -4.011 8.916 1.679 1.00 0.00 C ATOM 0 H LEU A 109 -0.857 8.451 5.571 1.00 0.00 H new ATOM 0 HA LEU A 109 -2.783 10.671 5.181 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.669 9.624 3.150 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.469 8.124 3.575 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.644 9.539 3.670 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.720 11.472 2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -3.659 11.760 3.559 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.953 11.388 1.969 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -4.920 9.253 1.180 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.155 9.082 1.025 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -4.094 7.853 1.905 1.00 0.00 H new ATOM 1644 N THR A 110 -3.691 9.214 7.199 1.00 0.00 N ATOM 1645 CA THR A 110 -4.370 8.383 8.173 1.00 0.00 C ATOM 1646 C THR A 110 -5.734 8.977 8.515 1.00 0.00 C ATOM 1647 O THR A 110 -6.199 8.832 9.643 1.00 0.00 O ATOM 1648 CB THR A 110 -3.390 8.216 9.347 1.00 0.00 C ATOM 1649 OG1 THR A 110 -2.821 9.470 9.708 1.00 0.00 O ATOM 1650 CG2 THR A 110 -2.289 7.244 8.887 1.00 0.00 C ATOM 0 H THR A 110 -3.349 10.100 7.570 1.00 0.00 H new ATOM 0 HA THR A 110 -4.617 7.387 7.806 1.00 0.00 H new ATOM 0 HB THR A 110 -3.908 7.828 10.224 1.00 0.00 H new ATOM 0 HG1 THR A 110 -2.042 9.322 10.284 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.571 7.099 9.694 1.00 0.00 H new ATOM 0 HG22 THR A 110 -2.737 6.286 8.623 1.00 0.00 H new ATOM 0 HG23 THR A 110 -1.778 7.658 8.018 1.00 0.00 H new ATOM 1658 N THR A 111 -6.419 9.536 7.501 1.00 0.00 N ATOM 1659 CA THR A 111 -7.655 10.327 7.643 1.00 0.00 C ATOM 1660 C THR A 111 -7.927 11.088 6.330 1.00 0.00 C ATOM 1661 O THR A 111 -7.950 12.324 6.297 1.00 0.00 O ATOM 1662 CB THR A 111 -7.646 11.236 8.915 1.00 0.00 C ATOM 1663 OG1 THR A 111 -8.815 12.023 9.035 1.00 0.00 O ATOM 1664 CG2 THR A 111 -6.438 12.174 9.061 1.00 0.00 C ATOM 0 H THR A 111 -6.118 9.447 6.530 1.00 0.00 H new ATOM 0 HA THR A 111 -8.493 9.651 7.812 1.00 0.00 H new ATOM 0 HB THR A 111 -7.588 10.497 9.714 1.00 0.00 H new ATOM 0 HG1 THR A 111 -8.949 12.537 8.212 1.00 0.00 H new ATOM 0 HG21 THR A 111 -6.538 12.756 9.977 1.00 0.00 H new ATOM 0 HG22 THR A 111 -5.522 11.584 9.103 1.00 0.00 H new ATOM 0 HG23 THR A 111 -6.396 12.849 8.206 1.00 0.00 H new ATOM 1672 N PHE A 112 -8.052 10.376 5.208 1.00 0.00 N ATOM 1673 CA PHE A 112 -8.451 10.970 3.925 1.00 0.00 C ATOM 1674 C PHE A 112 -9.975 11.148 3.912 1.00 0.00 C ATOM 1675 O PHE A 112 -10.680 10.535 4.720 1.00 0.00 O ATOM 1676 CB PHE A 112 -7.986 10.077 2.763 1.00 0.00 C ATOM 1677 CG PHE A 112 -8.484 8.659 2.873 1.00 0.00 C ATOM 1678 CD1 PHE A 112 -7.764 7.748 3.659 1.00 0.00 C ATOM 1679 CD2 PHE A 112 -9.701 8.276 2.280 1.00 0.00 C ATOM 1680 CE1 PHE A 112 -8.271 6.465 3.883 1.00 0.00 C ATOM 1681 CE2 PHE A 112 -10.199 6.981 2.494 1.00 0.00 C ATOM 1682 CZ PHE A 112 -9.494 6.079 3.307 1.00 0.00 C ATOM 0 H PHE A 112 -7.880 9.372 5.161 1.00 0.00 H new ATOM 0 HA PHE A 112 -7.981 11.946 3.803 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -8.332 10.505 1.822 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -6.897 10.072 2.730 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -6.818 8.038 4.091 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -10.249 8.974 1.664 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -7.722 5.769 4.500 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -11.127 6.678 2.032 1.00 0.00 H new ATOM 0 HZ PHE A 112 -9.890 5.091 3.489 1.00 0.00 H new ATOM 1692 N THR A 113 -10.497 11.942 2.983 1.00 0.00 N ATOM 1693 CA THR A 113 -11.910 12.293 2.899 1.00 0.00 C ATOM 1694 C THR A 113 -12.527 11.646 1.659 1.00 0.00 C ATOM 1695 O THR A 113 -11.808 11.213 0.743 1.00 0.00 O ATOM 1696 CB THR A 113 -12.062 13.827 2.903 1.00 0.00 C ATOM 1697 OG1 THR A 113 -11.531 14.425 1.736 1.00 0.00 O ATOM 1698 CG2 THR A 113 -11.329 14.474 4.084 1.00 0.00 C ATOM 0 H THR A 113 -9.934 12.370 2.248 1.00 0.00 H new ATOM 0 HA THR A 113 -12.449 11.911 3.766 1.00 0.00 H new ATOM 0 HB THR A 113 -13.137 13.997 2.968 1.00 0.00 H new ATOM 0 HG1 THR A 113 -11.651 15.396 1.782 1.00 0.00 H new ATOM 0 HG21 THR A 113 -11.463 15.555 4.047 1.00 0.00 H new ATOM 0 HG22 THR A 113 -11.736 14.090 5.019 1.00 0.00 H new ATOM 0 HG23 THR A 113 -10.266 14.238 4.026 1.00 0.00 H new ATOM 1706 N ARG A 114 -13.861 11.601 1.576 1.00 0.00 N ATOM 1707 CA ARG A 114 -14.524 11.237 0.331 1.00 0.00 C ATOM 1708 C ARG A 114 -15.904 11.863 0.257 1.00 0.00 C ATOM 1709 O ARG A 114 -16.638 11.908 1.244 1.00 0.00 O ATOM 1710 CB ARG A 114 -14.581 9.704 0.219 1.00 0.00 C ATOM 1711 CG ARG A 114 -15.030 9.153 -1.145 1.00 0.00 C ATOM 1712 CD ARG A 114 -14.058 9.564 -2.260 1.00 0.00 C ATOM 1713 NE ARG A 114 -14.281 8.791 -3.492 1.00 0.00 N ATOM 1714 CZ ARG A 114 -13.329 8.340 -4.324 1.00 0.00 C ATOM 1715 NH1 ARG A 114 -12.087 8.817 -4.264 1.00 0.00 N ATOM 1716 NH2 ARG A 114 -13.627 7.401 -5.213 1.00 0.00 N ATOM 0 H ARG A 114 -14.492 11.810 2.350 1.00 0.00 H new ATOM 0 HA ARG A 114 -13.956 11.623 -0.516 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -13.592 9.304 0.444 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -15.259 9.327 0.984 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -15.093 8.066 -1.097 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -16.029 9.521 -1.377 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -14.176 10.627 -2.471 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -13.033 9.418 -1.920 1.00 0.00 H new ATOM 0 HE ARG A 114 -15.248 8.578 -3.736 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -11.849 9.535 -3.579 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -11.374 8.465 -4.903 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -14.575 7.027 -5.261 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -12.909 7.054 -5.848 1.00 0.00 H new ATOM 1730 N GLU A 115 -16.252 12.282 -0.948 1.00 0.00 N ATOM 1731 CA GLU A 115 -17.547 12.775 -1.360 1.00 0.00 C ATOM 1732 C GLU A 115 -17.553 12.504 -2.869 1.00 0.00 C ATOM 1733 O GLU A 115 -16.988 13.291 -3.637 1.00 0.00 O ATOM 1734 CB GLU A 115 -17.624 14.267 -0.981 1.00 0.00 C ATOM 1735 CG GLU A 115 -18.966 14.927 -1.308 1.00 0.00 C ATOM 1736 CD GLU A 115 -20.083 14.372 -0.425 1.00 0.00 C ATOM 1737 OE1 GLU A 115 -20.323 14.926 0.672 1.00 0.00 O ATOM 1738 OE2 GLU A 115 -20.743 13.395 -0.848 1.00 0.00 O ATOM 0 H GLU A 115 -15.583 12.285 -1.718 1.00 0.00 H new ATOM 0 HA GLU A 115 -18.415 12.311 -0.892 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -17.431 14.370 0.087 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -16.831 14.804 -1.501 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -18.888 16.005 -1.167 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -19.211 14.760 -2.357 1.00 0.00 H new ATOM 1745 N GLY A 116 -17.996 11.315 -3.287 1.00 0.00 N ATOM 1746 CA GLY A 116 -17.896 10.851 -4.670 1.00 0.00 C ATOM 1747 C GLY A 116 -17.681 9.352 -4.756 1.00 0.00 C ATOM 1748 O GLY A 116 -18.094 8.761 -5.769 1.00 0.00 O ATOM 0 H GLY A 116 -18.440 10.640 -2.664 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -18.806 11.117 -5.208 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -17.071 11.364 -5.165 1.00 0.00 H new TER 1752 GLY A 116