USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 846 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 Set 1.1: A 106 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 108 GLN :FLIP amide:sc= 0.537 F(o=-0.67,f=0.54) USER MOD Set 2.1: A 23 SER OG : rot 179:sc= 0.0223 USER MOD Set 2.2: A 90 THR OG1 : rot -63:sc= 0.104 USER MOD Set 3.1: A 66 GLN :FLIP amide:sc= -0.0756 F(o=-1.6!,f=-0.076) USER MOD Set 3.2: A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 166:sc= -0.0195 (180deg=-0.268) USER MOD Single : A 1 MET N :NH3+ -176:sc= -0.303 (180deg=-0.329) USER MOD Single : A 4 MET CE :methyl -121:sc= -0.49 (180deg=-3.73!) USER MOD Single : A 6 LYS NZ :NH3+ 148:sc= -1.03 (180deg=-2.78!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN :FLIP amide:sc= 0 F(o=-0.83,f=0) USER MOD Single : A 19 SER OG : rot -25:sc= 0.32! USER MOD Single : A 20 HIS : no HD1:sc= -0.0859 X(o=-0.086,f=-0.59) USER MOD Single : A 24 MET CE :methyl -158:sc= -0.101 (180deg=-0.611) USER MOD Single : A 29 GLN : amide:sc= -2.38 K(o=-2.4,f=-3.7!) USER MOD Single : A 31 TYR OH : rot -152:sc= 0.0383 USER MOD Single : A 32 MET CE :methyl -166:sc= -0.0298 (180deg=-0.308) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= 0.269 K(o=0.27,f=-2.7!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -172:sc= -0.14 (180deg=-0.271) USER MOD Single : A 64 SER OG : rot -84:sc= 0.496 USER MOD Single : A 70 TYR OH : rot 180:sc= -0.0373 USER MOD Single : A 79 TYR OH : rot -115:sc= 0.185 USER MOD Single : A 82 SER OG : rot -82:sc= 0.173 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.41 K(o=-0.41,f=-1.5) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ -140:sc= -1.47 (180deg=-3.93!) USER MOD Single : A 99 LYS NZ :NH3+ -128:sc= -1.52! (180deg=-3.2!) USER MOD Single : A 100 THR OG1 : rot -75:sc= 0.9 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.859 14.866 -4.557 1.00 0.00 N ATOM 2 CA MET A 1 8.787 15.137 -5.686 1.00 0.00 C ATOM 3 C MET A 1 10.240 15.186 -5.208 1.00 0.00 C ATOM 4 O MET A 1 10.904 16.226 -5.287 1.00 0.00 O ATOM 5 CB MET A 1 8.383 16.465 -6.343 1.00 0.00 C ATOM 6 CG MET A 1 7.009 16.431 -6.997 1.00 0.00 C ATOM 7 SD MET A 1 6.537 18.012 -7.733 1.00 0.00 S ATOM 8 CE MET A 1 7.718 18.151 -9.074 1.00 0.00 C ATOM 0 H1 MET A 1 6.889 14.771 -4.920 1.00 0.00 H new ATOM 0 H2 MET A 1 8.139 13.984 -4.082 1.00 0.00 H new ATOM 0 H3 MET A 1 7.899 15.653 -3.878 1.00 0.00 H new ATOM 0 HA MET A 1 8.717 14.329 -6.414 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.397 17.252 -5.589 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.127 16.729 -7.095 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.999 15.660 -7.768 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.265 16.147 -6.252 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.399 18.936 -9.760 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.700 18.398 -8.670 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.774 17.203 -9.609 1.00 0.00 H new ATOM 20 N GLY A 2 10.726 14.047 -4.710 1.00 0.00 N ATOM 21 CA GLY A 2 12.095 13.964 -4.224 1.00 0.00 C ATOM 22 C GLY A 2 12.395 12.646 -3.521 1.00 0.00 C ATOM 23 O GLY A 2 11.478 11.850 -3.300 1.00 0.00 O ATOM 0 H GLY A 2 10.194 13.180 -4.635 1.00 0.00 H new ATOM 0 HA2 GLY A 2 12.781 14.087 -5.062 1.00 0.00 H new ATOM 0 HA3 GLY A 2 12.281 14.788 -3.535 1.00 0.00 H new ATOM 27 N PRO A 3 13.677 12.379 -3.149 1.00 0.00 N ATOM 28 CA PRO A 3 14.058 11.146 -2.470 1.00 0.00 C ATOM 29 C PRO A 3 13.772 11.197 -0.971 1.00 0.00 C ATOM 30 O PRO A 3 14.146 12.154 -0.286 1.00 0.00 O ATOM 31 CB PRO A 3 15.563 11.021 -2.734 1.00 0.00 C ATOM 32 CG PRO A 3 16.010 12.307 -3.354 1.00 0.00 C ATOM 33 CD PRO A 3 14.844 13.252 -3.358 1.00 0.00 C ATOM 0 HA PRO A 3 13.488 10.293 -2.838 1.00 0.00 H new ATOM 0 HB2 PRO A 3 16.102 10.833 -1.806 1.00 0.00 H new ATOM 0 HB3 PRO A 3 15.769 10.181 -3.398 1.00 0.00 H new ATOM 0 HG2 PRO A 3 16.842 12.731 -2.792 1.00 0.00 H new ATOM 0 HG3 PRO A 3 16.365 12.136 -4.370 1.00 0.00 H new ATOM 0 HD2 PRO A 3 14.932 13.997 -2.567 1.00 0.00 H new ATOM 0 HD3 PRO A 3 14.773 13.794 -4.301 1.00 0.00 H new ATOM 41 N MET A 4 13.095 10.160 -0.477 1.00 0.00 N ATOM 42 CA MET A 4 12.730 10.060 0.935 1.00 0.00 C ATOM 43 C MET A 4 12.799 8.595 1.415 1.00 0.00 C ATOM 44 O MET A 4 12.758 7.686 0.582 1.00 0.00 O ATOM 45 CB MET A 4 11.329 10.675 1.157 1.00 0.00 C ATOM 46 CG MET A 4 10.309 10.353 0.067 1.00 0.00 C ATOM 47 SD MET A 4 9.640 8.683 0.174 1.00 0.00 S ATOM 48 CE MET A 4 8.633 8.812 1.651 1.00 0.00 C ATOM 0 H MET A 4 12.786 9.369 -1.042 1.00 0.00 H new ATOM 0 HA MET A 4 13.445 10.625 1.533 1.00 0.00 H new ATOM 0 HB2 MET A 4 10.941 10.324 2.113 1.00 0.00 H new ATOM 0 HB3 MET A 4 11.430 11.758 1.232 1.00 0.00 H new ATOM 0 HG2 MET A 4 9.489 11.068 0.126 1.00 0.00 H new ATOM 0 HG3 MET A 4 10.778 10.486 -0.908 1.00 0.00 H new ATOM 0 HE1 MET A 4 8.975 8.087 2.389 1.00 0.00 H new ATOM 0 HE2 MET A 4 8.719 9.817 2.063 1.00 0.00 H new ATOM 0 HE3 MET A 4 7.592 8.610 1.400 1.00 0.00 H new ATOM 58 N PRO A 5 12.931 8.333 2.760 1.00 0.00 N ATOM 59 CA PRO A 5 13.028 6.965 3.315 1.00 0.00 C ATOM 60 C PRO A 5 11.925 6.022 2.831 1.00 0.00 C ATOM 61 O PRO A 5 10.783 6.435 2.622 1.00 0.00 O ATOM 62 CB PRO A 5 12.921 7.173 4.836 1.00 0.00 C ATOM 63 CG PRO A 5 12.482 8.582 5.022 1.00 0.00 C ATOM 64 CD PRO A 5 13.025 9.330 3.848 1.00 0.00 C ATOM 0 HA PRO A 5 13.953 6.486 2.994 1.00 0.00 H new ATOM 0 HB2 PRO A 5 12.205 6.479 5.276 1.00 0.00 H new ATOM 0 HB3 PRO A 5 13.879 6.994 5.324 1.00 0.00 H new ATOM 0 HG2 PRO A 5 11.395 8.652 5.063 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.863 8.991 5.958 1.00 0.00 H new ATOM 0 HD2 PRO A 5 12.440 10.224 3.631 1.00 0.00 H new ATOM 0 HD3 PRO A 5 14.052 9.654 4.014 1.00 0.00 H new ATOM 72 N LYS A 6 12.296 4.751 2.653 1.00 0.00 N ATOM 73 CA LYS A 6 11.370 3.717 2.185 1.00 0.00 C ATOM 74 C LYS A 6 10.658 3.041 3.356 1.00 0.00 C ATOM 75 O LYS A 6 10.996 3.281 4.518 1.00 0.00 O ATOM 76 CB LYS A 6 12.135 2.662 1.376 1.00 0.00 C ATOM 77 CG LYS A 6 12.962 3.240 0.233 1.00 0.00 C ATOM 78 CD LYS A 6 13.733 2.165 -0.533 1.00 0.00 C ATOM 79 CE LYS A 6 15.041 1.774 0.154 1.00 0.00 C ATOM 80 NZ LYS A 6 14.822 1.017 1.419 1.00 0.00 N ATOM 0 H LYS A 6 13.242 4.411 2.828 1.00 0.00 H new ATOM 0 HA LYS A 6 10.620 4.196 1.555 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.795 2.112 2.047 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.423 1.944 0.969 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.304 3.771 -0.455 1.00 0.00 H new ATOM 0 HG3 LYS A 6 13.664 3.972 0.631 1.00 0.00 H new ATOM 0 HD2 LYS A 6 13.105 1.280 -0.640 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.949 2.526 -1.538 1.00 0.00 H new ATOM 0 HE2 LYS A 6 15.638 1.169 -0.528 1.00 0.00 H new ATOM 0 HE3 LYS A 6 15.617 2.674 0.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 15.600 0.340 1.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.793 1.680 2.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.920 0.502 1.363 1.00 0.00 H new ATOM 94 N LEU A 7 9.681 2.183 3.038 1.00 0.00 N ATOM 95 CA LEU A 7 8.928 1.454 4.061 1.00 0.00 C ATOM 96 C LEU A 7 9.576 0.096 4.306 1.00 0.00 C ATOM 97 O LEU A 7 9.723 -0.335 5.451 1.00 0.00 O ATOM 98 CB LEU A 7 7.450 1.227 3.655 1.00 0.00 C ATOM 99 CG LEU A 7 6.602 2.453 3.235 1.00 0.00 C ATOM 100 CD1 LEU A 7 6.751 3.625 4.204 1.00 0.00 C ATOM 101 CD2 LEU A 7 6.925 2.876 1.815 1.00 0.00 C ATOM 0 H LEU A 7 9.395 1.978 2.081 1.00 0.00 H new ATOM 0 HA LEU A 7 8.945 2.063 4.965 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.439 0.517 2.828 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.946 0.747 4.494 1.00 0.00 H new ATOM 0 HG LEU A 7 5.558 2.143 3.273 1.00 0.00 H new ATOM 0 HD11 LEU A 7 6.136 4.459 3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 7 6.428 3.318 5.199 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.795 3.936 4.241 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.316 3.739 1.545 1.00 0.00 H new ATOM 0 HD22 LEU A 7 7.980 3.141 1.745 1.00 0.00 H new ATOM 0 HD23 LEU A 7 6.711 2.053 1.133 1.00 0.00 H new ATOM 113 N ALA A 8 9.947 -0.574 3.211 1.00 0.00 N ATOM 114 CA ALA A 8 10.568 -1.894 3.275 1.00 0.00 C ATOM 115 C ALA A 8 11.585 -2.084 2.143 1.00 0.00 C ATOM 116 O ALA A 8 12.074 -1.105 1.575 1.00 0.00 O ATOM 117 CB ALA A 8 9.488 -2.965 3.214 1.00 0.00 C ATOM 0 H ALA A 8 9.825 -0.217 2.263 1.00 0.00 H new ATOM 0 HA ALA A 8 11.109 -1.982 4.217 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.950 -3.951 3.262 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.806 -2.843 4.056 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.933 -2.869 2.281 1.00 0.00 H new ATOM 123 N ASP A 9 11.906 -3.349 1.824 1.00 0.00 N ATOM 124 CA ASP A 9 12.867 -3.663 0.769 1.00 0.00 C ATOM 125 C ASP A 9 12.245 -4.578 -0.293 1.00 0.00 C ATOM 126 O ASP A 9 12.574 -4.471 -1.479 1.00 0.00 O ATOM 127 CB ASP A 9 14.112 -4.321 1.382 1.00 0.00 C ATOM 128 CG ASP A 9 15.272 -4.448 0.407 1.00 0.00 C ATOM 129 OD1 ASP A 9 15.166 -5.238 -0.556 1.00 0.00 O ATOM 130 OD2 ASP A 9 16.290 -3.752 0.606 1.00 0.00 O ATOM 0 H ASP A 9 11.510 -4.168 2.286 1.00 0.00 H new ATOM 0 HA ASP A 9 13.157 -2.734 0.278 1.00 0.00 H new ATOM 0 HB2 ASP A 9 14.435 -3.737 2.244 1.00 0.00 H new ATOM 0 HB3 ASP A 9 13.846 -5.312 1.749 1.00 0.00 H new ATOM 135 N ARG A 10 11.356 -5.483 0.137 1.00 0.00 N ATOM 136 CA ARG A 10 10.705 -6.419 -0.786 1.00 0.00 C ATOM 137 C ARG A 10 9.179 -6.363 -0.673 1.00 0.00 C ATOM 138 O ARG A 10 8.629 -5.888 0.330 1.00 0.00 O ATOM 139 CB ARG A 10 11.185 -7.849 -0.532 1.00 0.00 C ATOM 140 CG ARG A 10 12.685 -8.033 -0.681 1.00 0.00 C ATOM 141 CD ARG A 10 13.094 -9.461 -0.362 1.00 0.00 C ATOM 142 NE ARG A 10 14.550 -9.637 -0.325 1.00 0.00 N ATOM 143 CZ ARG A 10 15.356 -9.153 0.631 1.00 0.00 C ATOM 144 NH1 ARG A 10 14.866 -8.486 1.673 1.00 0.00 N ATOM 145 NH2 ARG A 10 16.664 -9.352 0.546 1.00 0.00 N ATOM 0 H ARG A 10 11.073 -5.586 1.112 1.00 0.00 H new ATOM 0 HA ARG A 10 10.983 -6.117 -1.796 1.00 0.00 H new ATOM 0 HB2 ARG A 10 10.891 -8.146 0.475 1.00 0.00 H new ATOM 0 HB3 ARG A 10 10.676 -8.520 -1.224 1.00 0.00 H new ATOM 0 HG2 ARG A 10 12.986 -7.784 -1.699 1.00 0.00 H new ATOM 0 HG3 ARG A 10 13.207 -7.345 -0.016 1.00 0.00 H new ATOM 0 HD2 ARG A 10 12.673 -9.749 0.601 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.670 -10.132 -1.109 1.00 0.00 H new ATOM 0 HE ARG A 10 14.981 -10.167 -1.083 1.00 0.00 H new ATOM 0 HH11 ARG A 10 13.861 -8.335 1.755 1.00 0.00 H new ATOM 0 HH12 ARG A 10 15.496 -8.126 2.390 1.00 0.00 H new ATOM 0 HH21 ARG A 10 17.051 -9.870 -0.243 1.00 0.00 H new ATOM 0 HH22 ARG A 10 17.283 -8.987 1.269 1.00 0.00 H new ATOM 159 N LYS A 11 8.513 -6.844 -1.728 1.00 0.00 N ATOM 160 CA LYS A 11 7.053 -6.854 -1.804 1.00 0.00 C ATOM 161 C LYS A 11 6.525 -8.181 -2.360 1.00 0.00 C ATOM 162 O LYS A 11 7.294 -9.011 -2.848 1.00 0.00 O ATOM 163 CB LYS A 11 6.599 -5.704 -2.705 1.00 0.00 C ATOM 164 CG LYS A 11 7.226 -5.746 -4.092 1.00 0.00 C ATOM 165 CD LYS A 11 7.118 -4.413 -4.799 1.00 0.00 C ATOM 166 CE LYS A 11 7.852 -4.433 -6.128 1.00 0.00 C ATOM 167 NZ LYS A 11 7.772 -3.122 -6.829 1.00 0.00 N ATOM 0 H LYS A 11 8.972 -7.236 -2.550 1.00 0.00 H new ATOM 0 HA LYS A 11 6.653 -6.734 -0.797 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.514 -5.734 -2.803 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.850 -4.756 -2.228 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.275 -6.029 -4.008 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.736 -6.515 -4.689 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.068 -4.171 -4.964 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.530 -3.628 -4.165 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.898 -4.692 -5.961 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.429 -5.211 -6.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.286 -3.179 -7.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.776 -2.886 -7.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.199 -2.383 -6.234 1.00 0.00 H new ATOM 181 N LEU A 12 5.201 -8.350 -2.300 1.00 0.00 N ATOM 182 CA LEU A 12 4.538 -9.549 -2.816 1.00 0.00 C ATOM 183 C LEU A 12 3.736 -9.207 -4.061 1.00 0.00 C ATOM 184 O LEU A 12 2.920 -8.284 -4.043 1.00 0.00 O ATOM 185 CB LEU A 12 3.593 -10.184 -1.772 1.00 0.00 C ATOM 186 CG LEU A 12 4.229 -11.044 -0.658 1.00 0.00 C ATOM 187 CD1 LEU A 12 5.060 -12.185 -1.241 1.00 0.00 C ATOM 188 CD2 LEU A 12 5.069 -10.196 0.279 1.00 0.00 C ATOM 0 H LEU A 12 4.563 -7.664 -1.895 1.00 0.00 H new ATOM 0 HA LEU A 12 5.320 -10.270 -3.054 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.031 -9.381 -1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.873 -10.805 -2.305 1.00 0.00 H new ATOM 0 HG LEU A 12 3.414 -11.482 -0.081 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.493 -12.771 -0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.422 -12.825 -1.850 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.858 -11.775 -1.859 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.503 -10.830 1.052 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.867 -9.713 -0.285 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.441 -9.436 0.743 1.00 0.00 H new ATOM 200 N CYS A 13 3.974 -9.960 -5.134 1.00 0.00 N ATOM 201 CA CYS A 13 3.275 -9.758 -6.401 1.00 0.00 C ATOM 202 C CYS A 13 2.802 -11.097 -6.961 1.00 0.00 C ATOM 203 O CYS A 13 3.226 -12.156 -6.491 1.00 0.00 O ATOM 204 CB CYS A 13 4.189 -9.060 -7.415 1.00 0.00 C ATOM 205 SG CYS A 13 4.753 -7.401 -6.907 1.00 0.00 S ATOM 0 H CYS A 13 4.652 -10.722 -5.150 1.00 0.00 H new ATOM 0 HA CYS A 13 2.408 -9.123 -6.218 1.00 0.00 H new ATOM 0 HB2 CYS A 13 5.062 -9.689 -7.591 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.660 -8.975 -8.364 1.00 0.00 H new ATOM 210 N ALA A 14 1.921 -11.043 -7.964 1.00 0.00 N ATOM 211 CA ALA A 14 1.390 -12.252 -8.590 1.00 0.00 C ATOM 212 C ALA A 14 2.415 -12.875 -9.534 1.00 0.00 C ATOM 213 O ALA A 14 2.548 -14.099 -9.598 1.00 0.00 O ATOM 214 CB ALA A 14 0.101 -11.940 -9.333 1.00 0.00 C ATOM 0 H ALA A 14 1.562 -10.174 -8.358 1.00 0.00 H new ATOM 0 HA ALA A 14 1.173 -12.975 -7.804 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.283 -12.850 -9.794 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.637 -11.549 -8.633 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.297 -11.197 -10.106 1.00 0.00 H new ATOM 220 N ASP A 15 3.137 -12.017 -10.257 1.00 0.00 N ATOM 221 CA ASP A 15 4.165 -12.460 -11.199 1.00 0.00 C ATOM 222 C ASP A 15 5.472 -11.712 -10.950 1.00 0.00 C ATOM 223 O ASP A 15 5.510 -10.765 -10.160 1.00 0.00 O ATOM 224 CB ASP A 15 3.707 -12.242 -12.648 1.00 0.00 C ATOM 225 CG ASP A 15 2.533 -13.123 -13.039 1.00 0.00 C ATOM 226 OD1 ASP A 15 1.438 -12.951 -12.463 1.00 0.00 O ATOM 227 OD2 ASP A 15 2.711 -13.986 -13.924 1.00 0.00 O ATOM 0 H ASP A 15 3.027 -11.004 -10.207 1.00 0.00 H new ATOM 0 HA ASP A 15 4.330 -13.526 -11.043 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.430 -11.196 -12.782 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.542 -12.439 -13.321 1.00 0.00 H new ATOM 232 N GLN A 16 6.540 -12.139 -11.636 1.00 0.00 N ATOM 233 CA GLN A 16 7.857 -11.510 -11.502 1.00 0.00 C ATOM 234 C GLN A 16 7.843 -10.093 -12.091 1.00 0.00 C ATOM 235 O GLN A 16 8.704 -9.267 -11.774 1.00 0.00 O ATOM 236 CB GLN A 16 8.923 -12.375 -12.190 1.00 0.00 C ATOM 237 CG GLN A 16 10.360 -11.951 -11.891 1.00 0.00 C ATOM 238 CD GLN A 16 11.427 -12.826 -12.549 1.00 0.00 C ATOM 239 OE1 GLN A 16 11.018 -13.881 -13.258 1.00 0.00 O flip ATOM 240 NE2 GLN A 16 12.620 -12.555 -12.416 1.00 0.00 N flip ATOM 0 H GLN A 16 6.516 -12.920 -12.291 1.00 0.00 H new ATOM 0 HA GLN A 16 8.102 -11.431 -10.443 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.790 -13.411 -11.880 1.00 0.00 H new ATOM 0 HB3 GLN A 16 8.763 -12.341 -13.268 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.498 -10.921 -12.221 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.512 -11.963 -10.812 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.900 -11.742 -11.868 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.329 -13.144 -12.854 1.00 0.00 H new ATOM 249 N GLU A 17 6.843 -9.818 -12.932 1.00 0.00 N ATOM 250 CA GLU A 17 6.690 -8.505 -13.555 1.00 0.00 C ATOM 251 C GLU A 17 5.859 -7.593 -12.665 1.00 0.00 C ATOM 252 O GLU A 17 5.905 -6.368 -12.813 1.00 0.00 O ATOM 253 CB GLU A 17 5.988 -8.626 -14.914 1.00 0.00 C ATOM 254 CG GLU A 17 6.699 -9.529 -15.908 1.00 0.00 C ATOM 255 CD GLU A 17 6.034 -9.562 -17.277 1.00 0.00 C ATOM 256 OE1 GLU A 17 5.004 -8.877 -17.467 1.00 0.00 O ATOM 257 OE2 GLU A 17 6.546 -10.277 -18.163 1.00 0.00 O ATOM 0 H GLU A 17 6.125 -10.492 -13.197 1.00 0.00 H new ATOM 0 HA GLU A 17 7.687 -8.086 -13.694 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.978 -9.004 -14.755 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.891 -7.631 -15.349 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.730 -9.192 -16.021 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.736 -10.541 -15.506 1.00 0.00 H new ATOM 264 N CYS A 18 5.078 -8.217 -11.761 1.00 0.00 N ATOM 265 CA CYS A 18 4.183 -7.503 -10.841 1.00 0.00 C ATOM 266 C CYS A 18 3.192 -6.654 -11.647 1.00 0.00 C ATOM 267 O CYS A 18 2.720 -5.604 -11.200 1.00 0.00 O ATOM 268 CB CYS A 18 4.980 -6.646 -9.843 1.00 0.00 C ATOM 269 SG CYS A 18 4.041 -6.165 -8.355 1.00 0.00 S ATOM 0 H CYS A 18 5.053 -9.231 -11.651 1.00 0.00 H new ATOM 0 HA CYS A 18 3.622 -8.231 -10.255 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.868 -7.198 -9.536 1.00 0.00 H new ATOM 0 HB3 CYS A 18 5.324 -5.744 -10.349 1.00 0.00 H new ATOM 274 N SER A 19 2.900 -7.143 -12.855 1.00 0.00 N ATOM 275 CA SER A 19 1.990 -6.486 -13.784 1.00 0.00 C ATOM 276 C SER A 19 0.559 -7.013 -13.624 1.00 0.00 C ATOM 277 O SER A 19 -0.377 -6.502 -14.245 1.00 0.00 O ATOM 278 CB SER A 19 2.506 -6.689 -15.210 1.00 0.00 C ATOM 279 OG SER A 19 1.541 -6.319 -16.181 1.00 0.00 O ATOM 0 H SER A 19 3.294 -8.013 -13.214 1.00 0.00 H new ATOM 0 HA SER A 19 1.957 -5.419 -13.565 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.411 -6.100 -15.355 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.780 -7.734 -15.351 1.00 0.00 H new ATOM 0 HG SER A 19 0.643 -6.399 -15.797 1.00 0.00 H new ATOM 285 N HIS A 20 0.401 -8.028 -12.770 1.00 0.00 N ATOM 286 CA HIS A 20 -0.905 -8.627 -12.501 1.00 0.00 C ATOM 287 C HIS A 20 -1.486 -8.134 -11.167 1.00 0.00 C ATOM 288 O HIS A 20 -0.731 -7.873 -10.227 1.00 0.00 O ATOM 289 CB HIS A 20 -0.797 -10.156 -12.465 1.00 0.00 C ATOM 290 CG HIS A 20 -1.022 -10.853 -13.779 1.00 0.00 C ATOM 291 ND1 HIS A 20 -1.138 -12.221 -13.865 1.00 0.00 N ATOM 292 CD2 HIS A 20 -1.184 -10.387 -15.045 1.00 0.00 C ATOM 293 CE1 HIS A 20 -1.367 -12.570 -15.113 1.00 0.00 C ATOM 294 NE2 HIS A 20 -1.397 -11.477 -15.854 1.00 0.00 N ATOM 0 H HIS A 20 1.169 -8.453 -12.251 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.572 -8.323 -13.308 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.193 -10.424 -12.096 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.520 -10.537 -11.743 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.151 -9.354 -15.357 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.507 -13.579 -15.471 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -1.553 -11.447 -16.862 1.00 0.00 H new ATOM 303 N PRO A 21 -2.843 -8.019 -11.048 1.00 0.00 N ATOM 304 CA PRO A 21 -3.491 -7.583 -9.818 1.00 0.00 C ATOM 305 C PRO A 21 -3.809 -8.766 -8.904 1.00 0.00 C ATOM 306 O PRO A 21 -4.536 -9.686 -9.293 1.00 0.00 O ATOM 307 CB PRO A 21 -4.777 -6.915 -10.317 1.00 0.00 C ATOM 308 CG PRO A 21 -5.041 -7.475 -11.686 1.00 0.00 C ATOM 309 CD PRO A 21 -3.852 -8.319 -12.081 1.00 0.00 C ATOM 0 HA PRO A 21 -2.864 -6.919 -9.223 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.609 -7.124 -9.645 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.662 -5.832 -10.356 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.951 -8.075 -11.683 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.193 -6.670 -12.405 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.103 -9.380 -12.098 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.492 -8.061 -13.077 1.00 0.00 H new ATOM 317 N ILE A 22 -3.249 -8.745 -7.694 1.00 0.00 N ATOM 318 CA ILE A 22 -3.462 -9.824 -6.732 1.00 0.00 C ATOM 319 C ILE A 22 -4.921 -9.908 -6.304 1.00 0.00 C ATOM 320 O ILE A 22 -5.585 -10.902 -6.575 1.00 0.00 O ATOM 321 CB ILE A 22 -2.574 -9.674 -5.471 1.00 0.00 C ATOM 322 CG1 ILE A 22 -1.093 -9.565 -5.867 1.00 0.00 C ATOM 323 CG2 ILE A 22 -2.795 -10.859 -4.520 1.00 0.00 C ATOM 324 CD1 ILE A 22 -0.186 -9.114 -4.739 1.00 0.00 C ATOM 0 H ILE A 22 -2.646 -7.994 -7.358 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.180 -10.743 -7.246 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.857 -8.758 -4.952 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.752 -10.535 -6.229 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.000 -8.865 -6.697 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.165 -10.741 -3.639 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.841 -10.892 -4.216 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.536 -11.787 -5.029 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.842 -9.062 -5.097 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.500 -8.130 -4.391 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.247 -9.826 -3.916 1.00 0.00 H new ATOM 336 N SER A 23 -5.407 -8.877 -5.612 1.00 0.00 N ATOM 337 CA SER A 23 -6.783 -8.876 -5.132 1.00 0.00 C ATOM 338 C SER A 23 -7.431 -7.500 -5.247 1.00 0.00 C ATOM 339 O SER A 23 -6.772 -6.469 -5.085 1.00 0.00 O ATOM 340 CB SER A 23 -6.822 -9.349 -3.677 1.00 0.00 C ATOM 341 OG SER A 23 -6.284 -10.652 -3.544 1.00 0.00 O ATOM 0 H SER A 23 -4.872 -8.041 -5.375 1.00 0.00 H new ATOM 0 HA SER A 23 -7.353 -9.559 -5.762 1.00 0.00 H new ATOM 0 HB2 SER A 23 -6.259 -8.656 -3.052 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.851 -9.340 -3.317 1.00 0.00 H new ATOM 0 HG SER A 23 -6.306 -10.920 -2.602 1.00 0.00 H new ATOM 347 N MET A 24 -8.738 -7.510 -5.512 1.00 0.00 N ATOM 348 CA MET A 24 -9.524 -6.288 -5.637 1.00 0.00 C ATOM 349 C MET A 24 -10.154 -5.949 -4.290 1.00 0.00 C ATOM 350 O MET A 24 -10.865 -6.772 -3.705 1.00 0.00 O ATOM 351 CB MET A 24 -10.599 -6.467 -6.711 1.00 0.00 C ATOM 352 CG MET A 24 -11.337 -5.185 -7.070 1.00 0.00 C ATOM 353 SD MET A 24 -12.794 -4.873 -6.045 1.00 0.00 S ATOM 354 CE MET A 24 -13.872 -6.219 -6.536 1.00 0.00 C ATOM 0 H MET A 24 -9.278 -8.365 -5.645 1.00 0.00 H new ATOM 0 HA MET A 24 -8.876 -5.465 -5.937 1.00 0.00 H new ATOM 0 HB2 MET A 24 -10.135 -6.871 -7.611 1.00 0.00 H new ATOM 0 HB3 MET A 24 -11.322 -7.206 -6.366 1.00 0.00 H new ATOM 0 HG2 MET A 24 -10.651 -4.343 -6.977 1.00 0.00 H new ATOM 0 HG3 MET A 24 -11.643 -5.233 -8.115 1.00 0.00 H new ATOM 0 HE1 MET A 24 -14.906 -5.958 -6.310 1.00 0.00 H new ATOM 0 HE2 MET A 24 -13.768 -6.396 -7.606 1.00 0.00 H new ATOM 0 HE3 MET A 24 -13.598 -7.122 -5.991 1.00 0.00 H new ATOM 364 N ALA A 25 -9.876 -4.743 -3.798 1.00 0.00 N ATOM 365 CA ALA A 25 -10.405 -4.303 -2.511 1.00 0.00 C ATOM 366 C ALA A 25 -11.264 -3.052 -2.647 1.00 0.00 C ATOM 367 O ALA A 25 -11.017 -2.203 -3.509 1.00 0.00 O ATOM 368 CB ALA A 25 -9.266 -4.045 -1.538 1.00 0.00 C ATOM 0 H ALA A 25 -9.289 -4.056 -4.271 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.040 -5.102 -2.127 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.672 -3.717 -0.581 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.695 -4.962 -1.395 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.613 -3.270 -1.940 1.00 0.00 H new ATOM 374 N VAL A 26 -12.269 -2.951 -1.777 1.00 0.00 N ATOM 375 CA VAL A 26 -13.183 -1.803 -1.769 1.00 0.00 C ATOM 376 C VAL A 26 -12.759 -0.787 -0.699 1.00 0.00 C ATOM 377 O VAL A 26 -12.396 -1.171 0.417 1.00 0.00 O ATOM 378 CB VAL A 26 -14.647 -2.252 -1.513 1.00 0.00 C ATOM 379 CG1 VAL A 26 -15.616 -1.080 -1.643 1.00 0.00 C ATOM 380 CG2 VAL A 26 -15.044 -3.368 -2.470 1.00 0.00 C ATOM 0 H VAL A 26 -12.473 -3.652 -1.065 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.133 -1.333 -2.751 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.702 -2.629 -0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -16.633 -1.426 -1.458 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.357 -0.311 -0.915 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -15.551 -0.664 -2.649 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -16.073 -3.667 -2.273 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.959 -3.014 -3.497 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -14.384 -4.223 -2.326 1.00 0.00 H new ATOM 390 N ALA A 27 -12.808 0.507 -1.052 1.00 0.00 N ATOM 391 CA ALA A 27 -12.430 1.582 -0.126 1.00 0.00 C ATOM 392 C ALA A 27 -13.563 1.910 0.842 1.00 0.00 C ATOM 393 O ALA A 27 -14.719 2.053 0.433 1.00 0.00 O ATOM 394 CB ALA A 27 -12.024 2.824 -0.894 1.00 0.00 C ATOM 0 H ALA A 27 -13.106 0.832 -1.972 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.580 1.231 0.458 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.747 3.611 -0.193 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -11.173 2.593 -1.535 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.859 3.162 -1.507 1.00 0.00 H new ATOM 400 N LEU A 28 -13.216 2.017 2.127 1.00 0.00 N ATOM 401 CA LEU A 28 -14.192 2.307 3.179 1.00 0.00 C ATOM 402 C LEU A 28 -14.194 3.775 3.612 1.00 0.00 C ATOM 403 O LEU A 28 -15.150 4.220 4.253 1.00 0.00 O ATOM 404 CB LEU A 28 -13.928 1.413 4.398 1.00 0.00 C ATOM 405 CG LEU A 28 -14.705 0.087 4.437 1.00 0.00 C ATOM 406 CD1 LEU A 28 -14.271 -0.846 3.313 1.00 0.00 C ATOM 407 CD2 LEU A 28 -14.527 -0.590 5.787 1.00 0.00 C ATOM 0 H LEU A 28 -12.260 1.906 2.465 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.175 2.097 2.758 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.862 1.189 4.436 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.167 1.979 5.298 1.00 0.00 H new ATOM 0 HG LEU A 28 -15.761 0.314 4.292 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -14.840 -1.774 3.370 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -14.454 -0.367 2.351 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.208 -1.066 3.412 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -15.083 -1.528 5.800 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.469 -0.793 5.956 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -14.901 0.064 6.574 1.00 0.00 H new ATOM 419 N GLN A 29 -13.136 4.526 3.277 1.00 0.00 N ATOM 420 CA GLN A 29 -13.062 5.942 3.662 1.00 0.00 C ATOM 421 C GLN A 29 -12.223 6.774 2.688 1.00 0.00 C ATOM 422 O GLN A 29 -11.597 6.241 1.769 1.00 0.00 O ATOM 423 CB GLN A 29 -12.514 6.090 5.087 1.00 0.00 C ATOM 424 CG GLN A 29 -11.174 5.401 5.323 1.00 0.00 C ATOM 425 CD GLN A 29 -10.553 5.716 6.684 1.00 0.00 C ATOM 426 OE1 GLN A 29 -9.602 5.056 7.101 1.00 0.00 O ATOM 427 NE2 GLN A 29 -11.065 6.735 7.378 1.00 0.00 N ATOM 0 H GLN A 29 -12.333 4.185 2.749 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.081 6.328 3.625 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.408 7.151 5.314 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.245 5.686 5.788 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.309 4.323 5.236 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.479 5.699 4.538 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -11.854 7.262 7.003 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.667 6.987 8.283 1.00 0.00 H new ATOM 436 N ASP A 30 -12.231 8.096 2.914 1.00 0.00 N ATOM 437 CA ASP A 30 -11.492 9.048 2.083 1.00 0.00 C ATOM 438 C ASP A 30 -10.014 9.102 2.471 1.00 0.00 C ATOM 439 O ASP A 30 -9.661 8.911 3.637 1.00 0.00 O ATOM 440 CB ASP A 30 -12.102 10.447 2.213 1.00 0.00 C ATOM 441 CG ASP A 30 -13.549 10.502 1.761 1.00 0.00 C ATOM 442 OD1 ASP A 30 -13.805 10.278 0.560 1.00 0.00 O ATOM 443 OD2 ASP A 30 -14.426 10.769 2.610 1.00 0.00 O ATOM 0 H ASP A 30 -12.750 8.531 3.677 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.564 8.708 1.050 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.038 10.771 3.252 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.515 11.151 1.623 1.00 0.00 H new ATOM 448 N TYR A 31 -9.165 9.375 1.478 1.00 0.00 N ATOM 449 CA TYR A 31 -7.721 9.474 1.679 1.00 0.00 C ATOM 450 C TYR A 31 -7.098 10.419 0.651 1.00 0.00 C ATOM 451 O TYR A 31 -7.454 10.376 -0.529 1.00 0.00 O ATOM 452 CB TYR A 31 -7.053 8.096 1.559 1.00 0.00 C ATOM 453 CG TYR A 31 -5.684 8.032 2.214 1.00 0.00 C ATOM 454 CD1 TYR A 31 -5.550 8.025 3.600 1.00 0.00 C ATOM 455 CD2 TYR A 31 -4.528 7.988 1.444 1.00 0.00 C ATOM 456 CE1 TYR A 31 -4.307 7.976 4.196 1.00 0.00 C ATOM 457 CE2 TYR A 31 -3.280 7.940 2.036 1.00 0.00 C ATOM 458 CZ TYR A 31 -3.175 7.934 3.411 1.00 0.00 C ATOM 459 OH TYR A 31 -1.936 7.886 4.004 1.00 0.00 O ATOM 0 H TYR A 31 -9.460 9.533 0.514 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.556 9.866 2.683 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.700 7.346 2.013 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -6.956 7.838 0.504 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -6.434 8.059 4.219 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.606 7.991 0.367 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.221 7.971 5.273 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.391 7.907 1.424 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.273 8.295 3.410 1.00 0.00 H new ATOM 469 N MET A 32 -6.155 11.248 1.103 1.00 0.00 N ATOM 470 CA MET A 32 -5.459 12.187 0.222 1.00 0.00 C ATOM 471 C MET A 32 -3.978 11.828 0.139 1.00 0.00 C ATOM 472 O MET A 32 -3.385 11.406 1.133 1.00 0.00 O ATOM 473 CB MET A 32 -5.628 13.622 0.724 1.00 0.00 C ATOM 474 CG MET A 32 -7.075 14.100 0.755 1.00 0.00 C ATOM 475 SD MET A 32 -7.841 14.193 -0.878 1.00 0.00 S ATOM 476 CE MET A 32 -6.896 15.512 -1.642 1.00 0.00 C ATOM 0 H MET A 32 -5.855 11.288 2.077 1.00 0.00 H new ATOM 0 HA MET A 32 -5.896 12.117 -0.774 1.00 0.00 H new ATOM 0 HB2 MET A 32 -5.210 13.697 1.728 1.00 0.00 H new ATOM 0 HB3 MET A 32 -5.049 14.290 0.086 1.00 0.00 H new ATOM 0 HG2 MET A 32 -7.658 13.426 1.383 1.00 0.00 H new ATOM 0 HG3 MET A 32 -7.114 15.084 1.222 1.00 0.00 H new ATOM 0 HE1 MET A 32 -7.406 15.849 -2.544 1.00 0.00 H new ATOM 0 HE2 MET A 32 -6.804 16.345 -0.945 1.00 0.00 H new ATOM 0 HE3 MET A 32 -5.903 15.145 -1.902 1.00 0.00 H new ATOM 486 N ALA A 33 -3.394 11.979 -1.055 1.00 0.00 N ATOM 487 CA ALA A 33 -1.982 11.650 -1.277 1.00 0.00 C ATOM 488 C ALA A 33 -1.045 12.839 -1.002 1.00 0.00 C ATOM 489 O ALA A 33 -1.017 13.793 -1.785 1.00 0.00 O ATOM 490 CB ALA A 33 -1.782 11.165 -2.703 1.00 0.00 C ATOM 0 H ALA A 33 -3.878 12.327 -1.883 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.724 10.862 -0.570 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.731 10.922 -2.861 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.389 10.276 -2.873 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.082 11.948 -3.399 1.00 0.00 H new ATOM 496 N PRO A 34 -0.248 12.806 0.106 1.00 0.00 N ATOM 497 CA PRO A 34 0.686 13.884 0.441 1.00 0.00 C ATOM 498 C PRO A 34 1.999 13.788 -0.346 1.00 0.00 C ATOM 499 O PRO A 34 2.455 14.774 -0.927 1.00 0.00 O ATOM 500 CB PRO A 34 0.952 13.694 1.945 1.00 0.00 C ATOM 501 CG PRO A 34 0.146 12.504 2.367 1.00 0.00 C ATOM 502 CD PRO A 34 -0.180 11.740 1.118 1.00 0.00 C ATOM 0 HA PRO A 34 0.271 14.861 0.192 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.013 13.532 2.135 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.659 14.581 2.507 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.708 11.883 3.065 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.764 12.815 2.879 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.587 11.003 0.881 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.124 11.202 1.205 1.00 0.00 H new ATOM 510 N ASP A 35 2.601 12.591 -0.348 1.00 0.00 N ATOM 511 CA ASP A 35 3.865 12.347 -1.048 1.00 0.00 C ATOM 512 C ASP A 35 3.614 11.885 -2.486 1.00 0.00 C ATOM 513 O ASP A 35 2.499 11.486 -2.837 1.00 0.00 O ATOM 514 CB ASP A 35 4.684 11.301 -0.274 1.00 0.00 C ATOM 515 CG ASP A 35 6.153 11.250 -0.667 1.00 0.00 C ATOM 516 OD1 ASP A 35 6.469 10.687 -1.736 1.00 0.00 O ATOM 517 OD2 ASP A 35 6.987 11.779 0.098 1.00 0.00 O ATOM 0 H ASP A 35 2.228 11.772 0.132 1.00 0.00 H new ATOM 0 HA ASP A 35 4.429 13.278 -1.096 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.611 11.514 0.792 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.242 10.318 -0.433 1.00 0.00 H new ATOM 522 N CYS A 36 4.667 11.951 -3.304 1.00 0.00 N ATOM 523 CA CYS A 36 4.617 11.560 -4.716 1.00 0.00 C ATOM 524 C CYS A 36 4.257 10.082 -4.904 1.00 0.00 C ATOM 525 O CYS A 36 3.578 9.728 -5.871 1.00 0.00 O ATOM 526 CB CYS A 36 5.977 11.848 -5.369 1.00 0.00 C ATOM 527 SG CYS A 36 6.159 11.216 -7.071 1.00 0.00 S ATOM 0 H CYS A 36 5.585 12.279 -3.004 1.00 0.00 H new ATOM 0 HA CYS A 36 3.831 12.146 -5.193 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.139 12.926 -5.378 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.761 11.413 -4.749 1.00 0.00 H new ATOM 532 N ARG A 37 4.730 9.226 -3.997 1.00 0.00 N ATOM 533 CA ARG A 37 4.471 7.787 -4.097 1.00 0.00 C ATOM 534 C ARG A 37 3.162 7.363 -3.413 1.00 0.00 C ATOM 535 O ARG A 37 2.924 6.170 -3.232 1.00 0.00 O ATOM 536 CB ARG A 37 5.653 6.987 -3.527 1.00 0.00 C ATOM 537 CG ARG A 37 5.912 7.229 -2.049 1.00 0.00 C ATOM 538 CD ARG A 37 6.954 6.265 -1.498 1.00 0.00 C ATOM 539 NE ARG A 37 7.112 6.394 -0.049 1.00 0.00 N ATOM 540 CZ ARG A 37 6.191 6.030 0.850 1.00 0.00 C ATOM 541 NH1 ARG A 37 5.073 5.414 0.476 1.00 0.00 N ATOM 542 NH2 ARG A 37 6.403 6.259 2.138 1.00 0.00 N ATOM 0 H ARG A 37 5.290 9.500 -3.190 1.00 0.00 H new ATOM 0 HA ARG A 37 4.358 7.564 -5.158 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.467 5.924 -3.683 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.553 7.239 -4.088 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.250 8.255 -1.901 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.981 7.117 -1.493 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.665 5.242 -1.741 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.912 6.450 -1.985 1.00 0.00 H new ATOM 0 HE ARG A 37 7.985 6.789 0.300 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.907 5.212 -0.510 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.381 5.143 1.175 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.266 6.711 2.440 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.703 5.983 2.827 1.00 0.00 H new ATOM 556 N PHE A 38 2.311 8.326 -3.049 1.00 0.00 N ATOM 557 CA PHE A 38 1.029 8.010 -2.403 1.00 0.00 C ATOM 558 C PHE A 38 -0.135 8.152 -3.388 1.00 0.00 C ATOM 559 O PHE A 38 -0.003 8.804 -4.426 1.00 0.00 O ATOM 560 CB PHE A 38 0.797 8.908 -1.181 1.00 0.00 C ATOM 561 CG PHE A 38 1.318 8.352 0.126 1.00 0.00 C ATOM 562 CD1 PHE A 38 2.680 8.219 0.371 1.00 0.00 C ATOM 563 CD2 PHE A 38 0.430 7.970 1.120 1.00 0.00 C ATOM 564 CE1 PHE A 38 3.135 7.718 1.576 1.00 0.00 C ATOM 565 CE2 PHE A 38 0.883 7.467 2.324 1.00 0.00 C ATOM 566 CZ PHE A 38 2.237 7.341 2.552 1.00 0.00 C ATOM 0 H PHE A 38 2.481 9.322 -3.188 1.00 0.00 H new ATOM 0 HA PHE A 38 1.074 6.973 -2.071 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.270 9.873 -1.363 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.273 9.091 -1.081 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.390 8.510 -0.389 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.632 8.067 0.950 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.196 7.622 1.753 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.177 7.173 3.086 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.593 6.948 3.493 1.00 0.00 H new ATOM 576 N LEU A 39 -1.275 7.529 -3.052 1.00 0.00 N ATOM 577 CA LEU A 39 -2.475 7.575 -3.902 1.00 0.00 C ATOM 578 C LEU A 39 -3.664 8.221 -3.191 1.00 0.00 C ATOM 579 O LEU A 39 -3.870 8.016 -1.993 1.00 0.00 O ATOM 580 CB LEU A 39 -2.877 6.160 -4.340 1.00 0.00 C ATOM 581 CG LEU A 39 -2.047 5.545 -5.472 1.00 0.00 C ATOM 582 CD1 LEU A 39 -2.307 4.050 -5.557 1.00 0.00 C ATOM 583 CD2 LEU A 39 -2.375 6.207 -6.804 1.00 0.00 C ATOM 0 H LEU A 39 -1.391 6.986 -2.196 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.218 8.183 -4.770 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.816 5.502 -3.473 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.921 6.181 -4.652 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.992 5.713 -5.254 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.712 3.623 -6.364 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.031 3.578 -4.614 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.365 3.875 -5.754 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.774 5.755 -7.593 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.433 6.068 -7.029 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.153 7.273 -6.745 1.00 0.00 H new ATOM 595 N THR A 40 -4.460 8.977 -3.958 1.00 0.00 N ATOM 596 CA THR A 40 -5.660 9.631 -3.433 1.00 0.00 C ATOM 597 C THR A 40 -6.870 8.743 -3.723 1.00 0.00 C ATOM 598 O THR A 40 -7.185 8.472 -4.884 1.00 0.00 O ATOM 599 CB THR A 40 -5.842 11.022 -4.061 1.00 0.00 C ATOM 600 OG1 THR A 40 -4.682 11.811 -3.877 1.00 0.00 O ATOM 601 CG2 THR A 40 -7.007 11.805 -3.485 1.00 0.00 C ATOM 0 H THR A 40 -4.291 9.150 -4.949 1.00 0.00 H new ATOM 0 HA THR A 40 -5.558 9.769 -2.357 1.00 0.00 H new ATOM 0 HB THR A 40 -6.038 10.828 -5.116 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.817 12.692 -4.285 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.072 12.775 -3.977 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.933 11.253 -3.648 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.855 11.950 -2.416 1.00 0.00 H new ATOM 609 N ILE A 41 -7.519 8.268 -2.659 1.00 0.00 N ATOM 610 CA ILE A 41 -8.675 7.377 -2.792 1.00 0.00 C ATOM 611 C ILE A 41 -9.919 7.945 -2.112 1.00 0.00 C ATOM 612 O ILE A 41 -9.866 8.368 -0.964 1.00 0.00 O ATOM 613 CB ILE A 41 -8.348 5.976 -2.198 1.00 0.00 C ATOM 614 CG1 ILE A 41 -7.290 5.277 -3.056 1.00 0.00 C ATOM 615 CG2 ILE A 41 -9.599 5.105 -2.110 1.00 0.00 C ATOM 616 CD1 ILE A 41 -6.583 4.129 -2.358 1.00 0.00 C ATOM 0 H ILE A 41 -7.265 8.485 -1.695 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.889 7.284 -3.857 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.962 6.121 -1.189 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.764 4.900 -3.962 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.547 6.011 -3.367 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.337 4.133 -1.691 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -10.335 5.590 -1.469 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -10.019 4.969 -3.107 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.850 3.688 -3.034 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.077 4.501 -1.467 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.313 3.372 -2.071 1.00 0.00 H new ATOM 628 N HIS A 42 -11.044 7.915 -2.827 1.00 0.00 N ATOM 629 CA HIS A 42 -12.314 8.391 -2.290 1.00 0.00 C ATOM 630 C HIS A 42 -13.091 7.223 -1.688 1.00 0.00 C ATOM 631 O HIS A 42 -12.846 6.061 -2.029 1.00 0.00 O ATOM 632 CB HIS A 42 -13.151 9.083 -3.378 1.00 0.00 C ATOM 633 CG HIS A 42 -12.585 10.385 -3.895 1.00 0.00 C ATOM 634 ND1 HIS A 42 -13.177 11.096 -4.918 1.00 0.00 N ATOM 635 CD2 HIS A 42 -11.492 11.109 -3.527 1.00 0.00 C ATOM 636 CE1 HIS A 42 -12.479 12.193 -5.157 1.00 0.00 C ATOM 637 NE2 HIS A 42 -11.453 12.224 -4.327 1.00 0.00 N ATOM 0 H HIS A 42 -11.099 7.564 -3.783 1.00 0.00 H new ATOM 0 HA HIS A 42 -12.105 9.124 -1.511 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -13.266 8.397 -4.217 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -14.149 9.271 -2.981 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -10.787 10.854 -2.750 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -12.709 12.938 -5.905 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -10.746 12.958 -4.287 1.00 0.00 H new ATOM 646 N ARG A 43 -14.010 7.545 -0.783 1.00 0.00 N ATOM 647 CA ARG A 43 -14.823 6.542 -0.098 1.00 0.00 C ATOM 648 C ARG A 43 -15.727 5.785 -1.077 1.00 0.00 C ATOM 649 O ARG A 43 -16.634 6.370 -1.677 1.00 0.00 O ATOM 650 CB ARG A 43 -15.658 7.224 0.990 1.00 0.00 C ATOM 651 CG ARG A 43 -16.315 6.263 1.967 1.00 0.00 C ATOM 652 CD ARG A 43 -16.950 6.999 3.136 1.00 0.00 C ATOM 653 NE ARG A 43 -15.979 7.809 3.879 1.00 0.00 N ATOM 654 CZ ARG A 43 -16.277 8.549 4.952 1.00 0.00 C ATOM 655 NH1 ARG A 43 -17.519 8.595 5.428 1.00 0.00 N ATOM 656 NH2 ARG A 43 -15.323 9.247 5.553 1.00 0.00 N ATOM 0 H ARG A 43 -14.213 8.505 -0.503 1.00 0.00 H new ATOM 0 HA ARG A 43 -14.158 5.809 0.359 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -15.019 7.909 1.547 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -16.432 7.826 0.514 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -17.075 5.679 1.448 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -15.572 5.559 2.340 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -17.749 7.642 2.767 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -17.409 6.277 3.811 1.00 0.00 H new ATOM 0 HE ARG A 43 -15.012 7.808 3.556 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -18.260 8.061 4.973 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -17.730 9.164 6.248 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -14.368 9.218 5.196 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -15.544 9.813 6.372 1.00 0.00 H new ATOM 670 N GLY A 44 -15.474 4.478 -1.217 1.00 0.00 N ATOM 671 CA GLY A 44 -16.275 3.651 -2.105 1.00 0.00 C ATOM 672 C GLY A 44 -15.635 3.387 -3.460 1.00 0.00 C ATOM 673 O GLY A 44 -16.285 2.816 -4.340 1.00 0.00 O ATOM 0 H GLY A 44 -14.728 3.982 -0.730 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -16.470 2.697 -1.616 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -17.240 4.133 -2.260 1.00 0.00 H new ATOM 677 N GLN A 45 -14.370 3.793 -3.646 1.00 0.00 N ATOM 678 CA GLN A 45 -13.692 3.571 -4.927 1.00 0.00 C ATOM 679 C GLN A 45 -13.094 2.172 -5.023 1.00 0.00 C ATOM 680 O GLN A 45 -12.699 1.575 -4.016 1.00 0.00 O ATOM 681 CB GLN A 45 -12.591 4.608 -5.184 1.00 0.00 C ATOM 682 CG GLN A 45 -13.122 6.006 -5.447 1.00 0.00 C ATOM 683 CD GLN A 45 -12.124 6.880 -6.187 1.00 0.00 C ATOM 684 OE1 GLN A 45 -10.992 7.071 -5.742 1.00 0.00 O ATOM 685 NE2 GLN A 45 -12.542 7.418 -7.327 1.00 0.00 N ATOM 0 H GLN A 45 -13.807 4.267 -2.940 1.00 0.00 H new ATOM 0 HA GLN A 45 -14.462 3.678 -5.691 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.924 4.638 -4.323 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -11.995 4.288 -6.038 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -14.041 5.938 -6.029 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -13.379 6.477 -4.498 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -13.488 7.235 -7.661 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.917 8.015 -7.869 1.00 0.00 H new ATOM 694 N VAL A 46 -13.017 1.675 -6.260 1.00 0.00 N ATOM 695 CA VAL A 46 -12.451 0.361 -6.550 1.00 0.00 C ATOM 696 C VAL A 46 -10.940 0.497 -6.712 1.00 0.00 C ATOM 697 O VAL A 46 -10.480 1.245 -7.573 1.00 0.00 O ATOM 698 CB VAL A 46 -13.055 -0.238 -7.848 1.00 0.00 C ATOM 699 CG1 VAL A 46 -12.506 -1.628 -8.132 1.00 0.00 C ATOM 700 CG2 VAL A 46 -14.574 -0.274 -7.775 1.00 0.00 C ATOM 0 H VAL A 46 -13.346 2.174 -7.086 1.00 0.00 H new ATOM 0 HA VAL A 46 -12.688 -0.309 -5.724 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.762 0.413 -8.672 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -12.952 -2.015 -9.048 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.424 -1.575 -8.249 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -12.749 -2.292 -7.302 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -14.973 -0.698 -8.697 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -14.883 -0.888 -6.929 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -14.956 0.739 -7.646 1.00 0.00 H new ATOM 710 N VAL A 47 -10.172 -0.204 -5.875 1.00 0.00 N ATOM 711 CA VAL A 47 -8.711 -0.124 -5.943 1.00 0.00 C ATOM 712 C VAL A 47 -8.089 -1.509 -6.136 1.00 0.00 C ATOM 713 O VAL A 47 -8.351 -2.431 -5.359 1.00 0.00 O ATOM 714 CB VAL A 47 -8.109 0.536 -4.673 1.00 0.00 C ATOM 715 CG1 VAL A 47 -6.639 0.869 -4.881 1.00 0.00 C ATOM 716 CG2 VAL A 47 -8.881 1.791 -4.282 1.00 0.00 C ATOM 0 H VAL A 47 -10.531 -0.826 -5.151 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.474 0.500 -6.805 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.193 -0.184 -3.859 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -6.239 1.330 -3.978 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.086 -0.045 -5.097 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -6.537 1.561 -5.717 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.435 2.229 -3.389 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.842 2.512 -5.099 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.920 1.531 -4.078 1.00 0.00 H new ATOM 726 N TYR A 48 -7.260 -1.637 -7.177 1.00 0.00 N ATOM 727 CA TYR A 48 -6.582 -2.899 -7.482 1.00 0.00 C ATOM 728 C TYR A 48 -5.214 -2.953 -6.806 1.00 0.00 C ATOM 729 O TYR A 48 -4.376 -2.070 -7.015 1.00 0.00 O ATOM 730 CB TYR A 48 -6.409 -3.083 -9.005 1.00 0.00 C ATOM 731 CG TYR A 48 -7.650 -3.528 -9.778 1.00 0.00 C ATOM 732 CD1 TYR A 48 -8.936 -3.110 -9.435 1.00 0.00 C ATOM 733 CD2 TYR A 48 -7.517 -4.375 -10.874 1.00 0.00 C ATOM 734 CE1 TYR A 48 -10.039 -3.524 -10.156 1.00 0.00 C ATOM 735 CE2 TYR A 48 -8.618 -4.790 -11.600 1.00 0.00 C ATOM 736 CZ TYR A 48 -9.875 -4.362 -11.237 1.00 0.00 C ATOM 737 OH TYR A 48 -10.973 -4.773 -11.958 1.00 0.00 O ATOM 0 H TYR A 48 -7.043 -0.879 -7.824 1.00 0.00 H new ATOM 0 HA TYR A 48 -7.205 -3.707 -7.099 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -6.063 -2.139 -9.427 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.620 -3.816 -9.174 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -9.072 -2.451 -8.590 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.534 -4.715 -11.163 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -11.027 -3.192 -9.873 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.492 -5.447 -12.448 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.684 -5.359 -12.688 1.00 0.00 H new ATOM 747 N VAL A 49 -4.992 -3.995 -5.999 1.00 0.00 N ATOM 748 CA VAL A 49 -3.721 -4.169 -5.293 1.00 0.00 C ATOM 749 C VAL A 49 -2.750 -4.989 -6.142 1.00 0.00 C ATOM 750 O VAL A 49 -3.074 -6.098 -6.565 1.00 0.00 O ATOM 751 CB VAL A 49 -3.919 -4.861 -3.920 1.00 0.00 C ATOM 752 CG1 VAL A 49 -2.618 -4.892 -3.127 1.00 0.00 C ATOM 753 CG2 VAL A 49 -5.014 -4.168 -3.121 1.00 0.00 C ATOM 0 H VAL A 49 -5.676 -4.730 -5.819 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.307 -3.176 -5.118 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.225 -5.890 -4.106 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.788 -5.383 -2.169 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.863 -5.442 -3.688 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.272 -3.873 -2.956 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.137 -4.669 -2.161 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.739 -3.127 -2.954 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.952 -4.211 -3.675 1.00 0.00 H new ATOM 763 N PHE A 50 -1.566 -4.427 -6.393 1.00 0.00 N ATOM 764 CA PHE A 50 -0.545 -5.093 -7.199 1.00 0.00 C ATOM 765 C PHE A 50 0.621 -5.596 -6.348 1.00 0.00 C ATOM 766 O PHE A 50 1.193 -6.647 -6.644 1.00 0.00 O ATOM 767 CB PHE A 50 -0.013 -4.149 -8.290 1.00 0.00 C ATOM 768 CG PHE A 50 -0.919 -3.994 -9.488 1.00 0.00 C ATOM 769 CD1 PHE A 50 -2.151 -3.361 -9.387 1.00 0.00 C ATOM 770 CD2 PHE A 50 -0.528 -4.485 -10.725 1.00 0.00 C ATOM 771 CE1 PHE A 50 -2.970 -3.225 -10.491 1.00 0.00 C ATOM 772 CE2 PHE A 50 -1.345 -4.351 -11.831 1.00 0.00 C ATOM 773 CZ PHE A 50 -2.567 -3.720 -11.714 1.00 0.00 C ATOM 0 H PHE A 50 -1.291 -3.508 -6.047 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.023 -5.956 -7.663 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.156 -3.166 -7.850 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.955 -4.517 -8.629 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.473 -2.970 -8.433 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.427 -4.978 -10.825 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.926 -2.731 -10.397 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.027 -4.740 -12.787 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.206 -3.614 -12.578 1.00 0.00 H new ATOM 783 N SER A 51 0.984 -4.839 -5.305 1.00 0.00 N ATOM 784 CA SER A 51 2.105 -5.225 -4.442 1.00 0.00 C ATOM 785 C SER A 51 1.837 -4.947 -2.965 1.00 0.00 C ATOM 786 O SER A 51 1.215 -3.946 -2.611 1.00 0.00 O ATOM 787 CB SER A 51 3.375 -4.488 -4.869 1.00 0.00 C ATOM 788 OG SER A 51 3.188 -3.083 -4.834 1.00 0.00 O ATOM 0 H SER A 51 0.524 -3.967 -5.041 1.00 0.00 H new ATOM 0 HA SER A 51 2.232 -6.301 -4.558 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.198 -4.765 -4.210 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.656 -4.795 -5.876 1.00 0.00 H new ATOM 0 HG SER A 51 4.015 -2.636 -5.110 1.00 0.00 H new ATOM 794 N LYS A 52 2.347 -5.842 -2.108 1.00 0.00 N ATOM 795 CA LYS A 52 2.207 -5.708 -0.651 1.00 0.00 C ATOM 796 C LYS A 52 3.595 -5.738 -0.007 1.00 0.00 C ATOM 797 O LYS A 52 4.264 -6.772 -0.018 1.00 0.00 O ATOM 798 CB LYS A 52 1.335 -6.833 -0.069 1.00 0.00 C ATOM 799 CG LYS A 52 0.038 -7.075 -0.830 1.00 0.00 C ATOM 800 CD LYS A 52 -0.741 -8.243 -0.249 1.00 0.00 C ATOM 801 CE LYS A 52 -2.035 -8.485 -1.008 1.00 0.00 C ATOM 802 NZ LYS A 52 -2.805 -9.627 -0.445 1.00 0.00 N ATOM 0 H LYS A 52 2.863 -6.671 -2.401 1.00 0.00 H new ATOM 0 HA LYS A 52 1.717 -4.759 -0.435 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.914 -7.757 -0.057 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.096 -6.593 0.967 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.576 -6.175 -0.798 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.262 -7.272 -1.879 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.126 -9.143 -0.280 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.965 -8.046 0.799 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.648 -7.584 -0.977 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.809 -8.681 -2.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.680 -9.758 -0.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.231 -10.492 -0.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.043 -9.429 0.548 1.00 0.00 H new ATOM 816 N LEU A 53 4.036 -4.594 0.532 1.00 0.00 N ATOM 817 CA LEU A 53 5.365 -4.493 1.150 1.00 0.00 C ATOM 818 C LEU A 53 5.438 -5.239 2.485 1.00 0.00 C ATOM 819 O LEU A 53 4.425 -5.410 3.162 1.00 0.00 O ATOM 820 CB LEU A 53 5.741 -3.016 1.368 1.00 0.00 C ATOM 821 CG LEU A 53 5.653 -2.105 0.129 1.00 0.00 C ATOM 822 CD1 LEU A 53 5.832 -0.647 0.531 1.00 0.00 C ATOM 823 CD2 LEU A 53 6.688 -2.494 -0.920 1.00 0.00 C ATOM 0 H LEU A 53 3.495 -3.729 0.553 1.00 0.00 H new ATOM 0 HA LEU A 53 6.073 -4.959 0.465 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.091 -2.607 2.142 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.760 -2.974 1.753 1.00 0.00 H new ATOM 0 HG LEU A 53 4.664 -2.233 -0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.767 -0.015 -0.355 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.050 -0.365 1.236 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.807 -0.516 1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.599 -1.832 -1.781 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.688 -2.405 -0.495 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.518 -3.524 -1.235 1.00 0.00 H new ATOM 835 N LYS A 54 6.657 -5.662 2.854 1.00 0.00 N ATOM 836 CA LYS A 54 6.899 -6.373 4.122 1.00 0.00 C ATOM 837 C LYS A 54 7.739 -5.485 5.064 1.00 0.00 C ATOM 838 O LYS A 54 7.451 -4.294 5.191 1.00 0.00 O ATOM 839 CB LYS A 54 7.602 -7.716 3.866 1.00 0.00 C ATOM 840 CG LYS A 54 6.811 -8.690 3.021 1.00 0.00 C ATOM 841 CD LYS A 54 7.469 -10.067 2.993 1.00 0.00 C ATOM 842 CE LYS A 54 8.748 -10.088 2.160 1.00 0.00 C ATOM 843 NZ LYS A 54 8.492 -9.755 0.731 1.00 0.00 N ATOM 0 H LYS A 54 7.495 -5.524 2.290 1.00 0.00 H new ATOM 0 HA LYS A 54 5.941 -6.584 4.598 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.557 -7.524 3.377 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.823 -8.184 4.825 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.799 -8.777 3.415 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.725 -8.306 2.005 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.698 -10.377 4.012 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.765 -10.794 2.589 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.462 -9.377 2.575 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.206 -11.075 2.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.358 -9.912 0.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.731 -10.362 0.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.207 -8.758 0.653 1.00 0.00 H new ATOM 857 N GLY A 55 8.780 -6.057 5.708 1.00 0.00 N ATOM 858 CA GLY A 55 9.643 -5.295 6.602 1.00 0.00 C ATOM 859 C GLY A 55 8.921 -4.681 7.786 1.00 0.00 C ATOM 860 O GLY A 55 7.998 -5.279 8.344 1.00 0.00 O ATOM 0 H GLY A 55 9.033 -7.041 5.618 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.433 -5.949 6.971 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.126 -4.501 6.033 1.00 0.00 H new ATOM 864 N ARG A 56 9.359 -3.478 8.160 1.00 0.00 N ATOM 865 CA ARG A 56 8.782 -2.740 9.283 1.00 0.00 C ATOM 866 C ARG A 56 7.456 -2.084 8.893 1.00 0.00 C ATOM 867 O ARG A 56 6.622 -1.790 9.753 1.00 0.00 O ATOM 868 CB ARG A 56 9.779 -1.684 9.777 1.00 0.00 C ATOM 869 CG ARG A 56 10.176 -0.667 8.717 1.00 0.00 C ATOM 870 CD ARG A 56 11.388 0.136 9.146 1.00 0.00 C ATOM 871 NE ARG A 56 11.705 1.200 8.191 1.00 0.00 N ATOM 872 CZ ARG A 56 12.724 2.054 8.326 1.00 0.00 C ATOM 873 NH1 ARG A 56 13.540 1.986 9.375 1.00 0.00 N ATOM 874 NH2 ARG A 56 12.928 2.984 7.403 1.00 0.00 N ATOM 0 H ARG A 56 10.123 -2.989 7.693 1.00 0.00 H new ATOM 0 HA ARG A 56 8.577 -3.445 10.089 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.344 -1.158 10.627 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.676 -2.187 10.138 1.00 0.00 H new ATOM 0 HG2 ARG A 56 10.391 -1.181 7.780 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.341 0.007 8.526 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.205 0.572 10.128 1.00 0.00 H new ATOM 0 HD3 ARG A 56 12.246 -0.528 9.247 1.00 0.00 H new ATOM 0 HE ARG A 56 11.109 1.296 7.369 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.392 1.275 10.091 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.313 2.645 9.463 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.309 3.045 6.595 1.00 0.00 H new ATOM 0 HH22 ARG A 56 13.704 3.638 7.501 1.00 0.00 H new ATOM 888 N GLY A 57 7.276 -1.868 7.588 1.00 0.00 N ATOM 889 CA GLY A 57 6.060 -1.257 7.082 1.00 0.00 C ATOM 890 C GLY A 57 5.248 -2.222 6.248 1.00 0.00 C ATOM 891 O GLY A 57 4.885 -1.917 5.109 1.00 0.00 O ATOM 0 H GLY A 57 7.959 -2.109 6.870 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.457 -0.903 7.918 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.315 -0.384 6.481 1.00 0.00 H new ATOM 895 N ARG A 58 4.971 -3.397 6.820 1.00 0.00 N ATOM 896 CA ARG A 58 4.204 -4.437 6.131 1.00 0.00 C ATOM 897 C ARG A 58 2.721 -4.082 6.016 1.00 0.00 C ATOM 898 O ARG A 58 1.961 -4.779 5.337 1.00 0.00 O ATOM 899 CB ARG A 58 4.381 -5.790 6.822 1.00 0.00 C ATOM 900 CG ARG A 58 4.013 -5.805 8.288 1.00 0.00 C ATOM 901 CD ARG A 58 4.294 -7.166 8.893 1.00 0.00 C ATOM 902 NE ARG A 58 3.987 -7.225 10.327 1.00 0.00 N ATOM 903 CZ ARG A 58 4.696 -6.618 11.289 1.00 0.00 C ATOM 904 NH1 ARG A 58 5.795 -5.925 10.999 1.00 0.00 N ATOM 905 NH2 ARG A 58 4.306 -6.717 12.552 1.00 0.00 N ATOM 0 H ARG A 58 5.268 -3.652 7.762 1.00 0.00 H new ATOM 0 HA ARG A 58 4.599 -4.506 5.118 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.773 -6.530 6.302 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.420 -6.102 6.719 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.580 -5.041 8.819 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.958 -5.559 8.406 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.706 -7.920 8.369 1.00 0.00 H new ATOM 0 HD3 ARG A 58 5.344 -7.417 8.740 1.00 0.00 H new ATOM 0 HE ARG A 58 3.173 -7.769 10.613 1.00 0.00 H new ATOM 0 HH11 ARG A 58 6.110 -5.849 10.032 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.322 -5.470 11.744 1.00 0.00 H new ATOM 0 HH21 ARG A 58 3.471 -7.253 12.787 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.841 -6.257 13.289 1.00 0.00 H new ATOM 919 N LEU A 59 2.322 -2.988 6.663 1.00 0.00 N ATOM 920 CA LEU A 59 0.938 -2.525 6.618 1.00 0.00 C ATOM 921 C LEU A 59 0.721 -1.617 5.406 1.00 0.00 C ATOM 922 O LEU A 59 -0.396 -1.147 5.162 1.00 0.00 O ATOM 923 CB LEU A 59 0.582 -1.775 7.910 1.00 0.00 C ATOM 924 CG LEU A 59 0.671 -2.599 9.204 1.00 0.00 C ATOM 925 CD1 LEU A 59 0.543 -1.691 10.419 1.00 0.00 C ATOM 926 CD2 LEU A 59 -0.405 -3.680 9.240 1.00 0.00 C ATOM 0 H LEU A 59 2.941 -2.405 7.226 1.00 0.00 H new ATOM 0 HA LEU A 59 0.286 -3.394 6.527 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.244 -0.914 8.003 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.433 -1.388 7.816 1.00 0.00 H new ATOM 0 HG LEU A 59 1.645 -3.087 9.227 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.608 -2.289 11.328 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.347 -0.956 10.410 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.418 -1.178 10.390 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.319 -4.248 10.166 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.390 -3.215 9.189 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.276 -4.350 8.390 1.00 0.00 H new ATOM 938 N PHE A 60 1.801 -1.374 4.653 1.00 0.00 N ATOM 939 CA PHE A 60 1.744 -0.523 3.468 1.00 0.00 C ATOM 940 C PHE A 60 1.634 -1.350 2.188 1.00 0.00 C ATOM 941 O PHE A 60 2.516 -2.158 1.863 1.00 0.00 O ATOM 942 CB PHE A 60 2.972 0.398 3.394 1.00 0.00 C ATOM 943 CG PHE A 60 2.989 1.496 4.431 1.00 0.00 C ATOM 944 CD1 PHE A 60 3.327 1.233 5.753 1.00 0.00 C ATOM 945 CD2 PHE A 60 2.677 2.800 4.074 1.00 0.00 C ATOM 946 CE1 PHE A 60 3.347 2.246 6.693 1.00 0.00 C ATOM 947 CE2 PHE A 60 2.698 3.816 5.010 1.00 0.00 C ATOM 948 CZ PHE A 60 3.032 3.538 6.321 1.00 0.00 C ATOM 0 H PHE A 60 2.726 -1.758 4.848 1.00 0.00 H new ATOM 0 HA PHE A 60 0.848 0.091 3.555 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.872 -0.206 3.507 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.014 0.850 2.403 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.577 0.225 6.049 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.414 3.024 3.051 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.609 2.027 7.718 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.454 4.826 4.717 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.047 4.330 7.055 1.00 0.00 H new ATOM 958 N TRP A 61 0.539 -1.127 1.468 1.00 0.00 N ATOM 959 CA TRP A 61 0.268 -1.817 0.211 1.00 0.00 C ATOM 960 C TRP A 61 0.481 -0.867 -0.963 1.00 0.00 C ATOM 961 O TRP A 61 0.920 0.267 -0.769 1.00 0.00 O ATOM 962 CB TRP A 61 -1.167 -2.371 0.217 1.00 0.00 C ATOM 963 CG TRP A 61 -1.351 -3.652 1.004 1.00 0.00 C ATOM 964 CD1 TRP A 61 -0.411 -4.329 1.742 1.00 0.00 C ATOM 965 CD2 TRP A 61 -2.569 -4.398 1.142 1.00 0.00 C ATOM 966 NE1 TRP A 61 -0.964 -5.453 2.297 1.00 0.00 N ATOM 967 CE2 TRP A 61 -2.287 -5.514 1.955 1.00 0.00 C ATOM 968 CE3 TRP A 61 -3.869 -4.235 0.654 1.00 0.00 C ATOM 969 CZ2 TRP A 61 -3.255 -6.457 2.289 1.00 0.00 C ATOM 970 CZ3 TRP A 61 -4.828 -5.171 0.988 1.00 0.00 C ATOM 971 CH2 TRP A 61 -4.516 -6.269 1.799 1.00 0.00 C ATOM 0 H TRP A 61 -0.186 -0.463 1.739 1.00 0.00 H new ATOM 0 HA TRP A 61 0.959 -2.653 0.102 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.833 -1.611 0.626 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -1.478 -2.546 -0.813 1.00 0.00 H new ATOM 0 HD1 TRP A 61 0.616 -4.020 1.867 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -0.469 -6.134 2.872 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -4.119 -3.392 0.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -3.018 -7.306 2.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.836 -5.054 0.617 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -5.289 -6.983 2.042 1.00 0.00 H new ATOM 982 N GLY A 62 0.177 -1.331 -2.176 1.00 0.00 N ATOM 983 CA GLY A 62 0.352 -0.500 -3.355 1.00 0.00 C ATOM 984 C GLY A 62 -0.337 -1.064 -4.577 1.00 0.00 C ATOM 985 O GLY A 62 -0.724 -2.232 -4.592 1.00 0.00 O ATOM 0 H GLY A 62 -0.186 -2.266 -2.361 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.038 0.498 -3.152 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.417 -0.390 -3.562 1.00 0.00 H new ATOM 989 N GLY A 63 -0.487 -0.220 -5.601 1.00 0.00 N ATOM 990 CA GLY A 63 -1.133 -0.631 -6.835 1.00 0.00 C ATOM 991 C GLY A 63 -1.684 0.549 -7.615 1.00 0.00 C ATOM 992 O GLY A 63 -1.093 1.635 -7.610 1.00 0.00 O ATOM 0 H GLY A 63 -0.168 0.749 -5.593 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.418 -1.172 -7.455 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.943 -1.323 -6.606 1.00 0.00 H new ATOM 996 N SER A 64 -2.819 0.330 -8.282 1.00 0.00 N ATOM 997 CA SER A 64 -3.471 1.373 -9.072 1.00 0.00 C ATOM 998 C SER A 64 -4.930 1.517 -8.651 1.00 0.00 C ATOM 999 O SER A 64 -5.478 0.626 -7.999 1.00 0.00 O ATOM 1000 CB SER A 64 -3.379 1.049 -10.566 1.00 0.00 C ATOM 1001 OG SER A 64 -4.087 -0.137 -10.877 1.00 0.00 O ATOM 0 H SER A 64 -3.307 -0.566 -8.290 1.00 0.00 H new ATOM 0 HA SER A 64 -2.959 2.318 -8.891 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.782 1.879 -11.146 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.333 0.937 -10.853 1.00 0.00 H new ATOM 0 HG SER A 64 -3.517 -0.914 -10.700 1.00 0.00 H new ATOM 1007 N VAL A 65 -5.553 2.641 -9.013 1.00 0.00 N ATOM 1008 CA VAL A 65 -6.947 2.890 -8.653 1.00 0.00 C ATOM 1009 C VAL A 65 -7.854 3.012 -9.887 1.00 0.00 C ATOM 1010 O VAL A 65 -7.558 3.748 -10.832 1.00 0.00 O ATOM 1011 CB VAL A 65 -7.081 4.150 -7.742 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -6.485 5.388 -8.405 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -8.534 4.394 -7.346 1.00 0.00 C ATOM 0 H VAL A 65 -5.115 3.388 -9.552 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.284 2.021 -8.088 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.511 3.954 -6.834 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.597 6.245 -7.741 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.427 5.220 -8.606 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.005 5.585 -9.343 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.595 5.278 -6.712 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.134 4.549 -8.243 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.913 3.530 -6.800 1.00 0.00 H new ATOM 1023 N GLN A 66 -8.966 2.276 -9.847 1.00 0.00 N ATOM 1024 CA GLN A 66 -9.954 2.275 -10.925 1.00 0.00 C ATOM 1025 C GLN A 66 -10.944 3.424 -10.766 1.00 0.00 C ATOM 1026 O GLN A 66 -11.013 4.053 -9.708 1.00 0.00 O ATOM 1027 CB GLN A 66 -10.717 0.949 -10.936 1.00 0.00 C ATOM 1028 CG GLN A 66 -9.945 -0.196 -11.563 1.00 0.00 C ATOM 1029 CD GLN A 66 -10.027 -0.251 -13.087 1.00 0.00 C ATOM 1030 OE1 GLN A 66 -10.883 0.574 -13.699 1.00 0.00 O flip ATOM 1031 NE2 GLN A 66 -9.333 -1.049 -13.715 1.00 0.00 N flip ATOM 0 H GLN A 66 -9.206 1.665 -9.067 1.00 0.00 H new ATOM 0 HA GLN A 66 -9.421 2.402 -11.867 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -10.977 0.682 -9.912 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -11.653 1.084 -11.478 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -8.898 -0.116 -11.270 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -10.319 -1.136 -11.157 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -8.689 -1.665 -13.219 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -9.401 -1.094 -14.732 1.00 0.00 H new ATOM 1040 N GLY A 67 -11.720 3.676 -11.822 1.00 0.00 N ATOM 1041 CA GLY A 67 -12.715 4.731 -11.791 1.00 0.00 C ATOM 1042 C GLY A 67 -12.209 6.050 -12.340 1.00 0.00 C ATOM 1043 O GLY A 67 -11.347 6.687 -11.729 1.00 0.00 O ATOM 0 H GLY A 67 -11.673 3.162 -12.702 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -13.586 4.416 -12.366 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.048 4.877 -10.763 1.00 0.00 H new ATOM 1047 N ASP A 68 -12.775 6.451 -13.491 1.00 0.00 N ATOM 1048 CA ASP A 68 -12.438 7.712 -14.178 1.00 0.00 C ATOM 1049 C ASP A 68 -10.975 7.771 -14.629 1.00 0.00 C ATOM 1050 O ASP A 68 -10.063 7.935 -13.815 1.00 0.00 O ATOM 1051 CB ASP A 68 -12.767 8.929 -13.293 1.00 0.00 C ATOM 1052 CG ASP A 68 -14.256 9.078 -13.002 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -15.059 8.267 -13.515 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -14.618 10.015 -12.259 1.00 0.00 O ATOM 0 H ASP A 68 -13.486 5.904 -13.976 1.00 0.00 H new ATOM 0 HA ASP A 68 -13.055 7.744 -15.076 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.227 8.841 -12.350 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.407 9.834 -13.783 1.00 0.00 H new ATOM 1059 N TYR A 69 -10.771 7.662 -15.943 1.00 0.00 N ATOM 1060 CA TYR A 69 -9.433 7.724 -16.533 1.00 0.00 C ATOM 1061 C TYR A 69 -9.252 9.039 -17.289 1.00 0.00 C ATOM 1062 O TYR A 69 -9.656 9.163 -18.449 1.00 0.00 O ATOM 1063 CB TYR A 69 -9.186 6.536 -17.482 1.00 0.00 C ATOM 1064 CG TYR A 69 -8.955 5.198 -16.798 1.00 0.00 C ATOM 1065 CD1 TYR A 69 -9.957 4.563 -16.067 1.00 0.00 C ATOM 1066 CD2 TYR A 69 -7.721 4.569 -16.895 1.00 0.00 C ATOM 1067 CE1 TYR A 69 -9.730 3.344 -15.457 1.00 0.00 C ATOM 1068 CE2 TYR A 69 -7.489 3.352 -16.288 1.00 0.00 C ATOM 1069 CZ TYR A 69 -8.495 2.744 -15.571 1.00 0.00 C ATOM 1070 OH TYR A 69 -8.263 1.531 -14.966 1.00 0.00 O ATOM 0 H TYR A 69 -11.520 7.530 -16.622 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.706 7.670 -15.723 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -10.042 6.441 -18.150 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.320 6.762 -18.104 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.926 5.031 -15.976 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -6.928 5.041 -17.456 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -10.517 2.864 -14.894 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -6.522 2.878 -16.375 1.00 0.00 H new ATOM 0 HH TYR A 69 -7.342 1.247 -15.145 1.00 0.00 H new ATOM 1080 N TYR A 70 -8.649 10.022 -16.618 1.00 0.00 N ATOM 1081 CA TYR A 70 -8.416 11.337 -17.217 1.00 0.00 C ATOM 1082 C TYR A 70 -7.059 11.408 -17.921 1.00 0.00 C ATOM 1083 O TYR A 70 -6.758 12.391 -18.603 1.00 0.00 O ATOM 1084 CB TYR A 70 -8.549 12.454 -16.157 1.00 0.00 C ATOM 1085 CG TYR A 70 -7.734 12.254 -14.885 1.00 0.00 C ATOM 1086 CD1 TYR A 70 -6.363 12.496 -14.851 1.00 0.00 C ATOM 1087 CD2 TYR A 70 -8.351 11.841 -13.709 1.00 0.00 C ATOM 1088 CE1 TYR A 70 -5.634 12.325 -13.690 1.00 0.00 C ATOM 1089 CE2 TYR A 70 -7.628 11.673 -12.543 1.00 0.00 C ATOM 1090 CZ TYR A 70 -6.271 11.915 -12.539 1.00 0.00 C ATOM 1091 OH TYR A 70 -5.549 11.748 -11.379 1.00 0.00 O ATOM 0 H TYR A 70 -8.313 9.932 -15.659 1.00 0.00 H new ATOM 0 HA TYR A 70 -9.183 11.492 -17.976 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -8.253 13.399 -16.612 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -9.600 12.547 -15.883 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -5.860 12.823 -15.749 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -9.414 11.648 -13.707 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -4.570 12.512 -13.685 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -8.124 11.353 -11.639 1.00 0.00 H new ATOM 0 HH TYR A 70 -6.148 11.457 -10.660 1.00 0.00 H new ATOM 1101 N GLY A 71 -6.251 10.360 -17.751 1.00 0.00 N ATOM 1102 CA GLY A 71 -4.938 10.315 -18.373 1.00 0.00 C ATOM 1103 C GLY A 71 -3.943 9.491 -17.580 1.00 0.00 C ATOM 1104 O GLY A 71 -3.829 8.280 -17.786 1.00 0.00 O ATOM 0 H GLY A 71 -6.485 9.540 -17.191 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.030 9.899 -19.376 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.557 11.330 -18.482 1.00 0.00 H new ATOM 1108 N ASP A 72 -3.223 10.154 -16.673 1.00 0.00 N ATOM 1109 CA ASP A 72 -2.225 9.485 -15.839 1.00 0.00 C ATOM 1110 C ASP A 72 -2.828 9.061 -14.502 1.00 0.00 C ATOM 1111 O ASP A 72 -3.030 9.890 -13.609 1.00 0.00 O ATOM 1112 CB ASP A 72 -1.022 10.408 -15.600 1.00 0.00 C ATOM 1113 CG ASP A 72 -0.280 10.781 -16.878 1.00 0.00 C ATOM 1114 OD1 ASP A 72 -0.651 10.283 -17.964 1.00 0.00 O ATOM 1115 OD2 ASP A 72 0.683 11.572 -16.788 1.00 0.00 O ATOM 0 H ASP A 72 -3.313 11.155 -16.498 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.889 8.592 -16.366 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.365 11.319 -15.109 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.329 9.919 -14.916 1.00 0.00 H new ATOM 1120 N LEU A 73 -3.108 7.762 -14.374 1.00 0.00 N ATOM 1121 CA LEU A 73 -3.684 7.214 -13.149 1.00 0.00 C ATOM 1122 C LEU A 73 -3.279 5.753 -12.967 1.00 0.00 C ATOM 1123 O LEU A 73 -2.798 5.363 -11.900 1.00 0.00 O ATOM 1124 CB LEU A 73 -5.209 7.340 -13.166 1.00 0.00 C ATOM 1125 CG LEU A 73 -5.887 7.171 -11.802 1.00 0.00 C ATOM 1126 CD1 LEU A 73 -5.535 8.326 -10.867 1.00 0.00 C ATOM 1127 CD2 LEU A 73 -7.385 7.071 -11.976 1.00 0.00 C ATOM 0 H LEU A 73 -2.944 7.071 -15.106 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.296 7.789 -12.308 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.473 8.318 -13.568 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.613 6.594 -13.851 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.521 6.249 -11.350 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.030 8.180 -9.907 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.456 8.358 -10.718 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.868 9.266 -11.308 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.857 6.951 -11.001 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.758 7.979 -12.451 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -7.622 6.211 -12.602 1.00 0.00 H new ATOM 1139 N ALA A 74 -3.472 4.955 -14.020 1.00 0.00 N ATOM 1140 CA ALA A 74 -3.125 3.537 -13.989 1.00 0.00 C ATOM 1141 C ALA A 74 -1.736 3.298 -14.573 1.00 0.00 C ATOM 1142 O ALA A 74 -1.143 2.237 -14.362 1.00 0.00 O ATOM 1143 CB ALA A 74 -4.164 2.717 -14.738 1.00 0.00 C ATOM 0 H ALA A 74 -3.868 5.270 -14.906 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.113 3.217 -12.947 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.889 1.663 -14.704 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.140 2.852 -14.271 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.209 3.047 -15.776 1.00 0.00 H new ATOM 1149 N ALA A 75 -1.221 4.297 -15.299 1.00 0.00 N ATOM 1150 CA ALA A 75 0.106 4.210 -15.909 1.00 0.00 C ATOM 1151 C ALA A 75 1.190 4.241 -14.837 1.00 0.00 C ATOM 1152 O ALA A 75 2.217 3.570 -14.958 1.00 0.00 O ATOM 1153 CB ALA A 75 0.308 5.345 -16.902 1.00 0.00 C ATOM 0 H ALA A 75 -1.706 5.176 -15.477 1.00 0.00 H new ATOM 0 HA ALA A 75 0.179 3.263 -16.445 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.300 5.267 -17.347 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.448 5.282 -17.685 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.217 6.301 -16.386 1.00 0.00 H new ATOM 1159 N ARG A 76 0.935 5.016 -13.782 1.00 0.00 N ATOM 1160 CA ARG A 76 1.864 5.135 -12.663 1.00 0.00 C ATOM 1161 C ARG A 76 1.341 4.352 -11.462 1.00 0.00 C ATOM 1162 O ARG A 76 0.128 4.223 -11.276 1.00 0.00 O ATOM 1163 CB ARG A 76 2.110 6.618 -12.308 1.00 0.00 C ATOM 1164 CG ARG A 76 0.848 7.451 -12.062 1.00 0.00 C ATOM 1165 CD ARG A 76 0.441 7.470 -10.590 1.00 0.00 C ATOM 1166 NE ARG A 76 1.462 8.083 -9.729 1.00 0.00 N ATOM 1167 CZ ARG A 76 1.751 9.391 -9.700 1.00 0.00 C ATOM 1168 NH1 ARG A 76 1.081 10.262 -10.451 1.00 0.00 N ATOM 1169 NH2 ARG A 76 2.715 9.831 -8.902 1.00 0.00 N ATOM 0 H ARG A 76 0.087 5.573 -13.681 1.00 0.00 H new ATOM 0 HA ARG A 76 2.823 4.708 -12.955 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.734 6.662 -11.415 1.00 0.00 H new ATOM 0 HB3 ARG A 76 2.677 7.079 -13.117 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.018 8.472 -12.402 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.029 7.049 -12.658 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.495 8.017 -10.483 1.00 0.00 H new ATOM 0 HD3 ARG A 76 0.254 6.450 -10.255 1.00 0.00 H new ATOM 0 HE ARG A 76 1.989 7.468 -9.109 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.332 9.938 -11.063 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.316 11.254 -10.415 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.231 9.175 -8.316 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.940 10.825 -8.875 1.00 0.00 H new ATOM 1183 N LEU A 77 2.261 3.819 -10.660 1.00 0.00 N ATOM 1184 CA LEU A 77 1.895 3.034 -9.485 1.00 0.00 C ATOM 1185 C LEU A 77 2.228 3.770 -8.194 1.00 0.00 C ATOM 1186 O LEU A 77 3.329 4.302 -8.036 1.00 0.00 O ATOM 1187 CB LEU A 77 2.595 1.670 -9.519 1.00 0.00 C ATOM 1188 CG LEU A 77 2.076 0.699 -10.588 1.00 0.00 C ATOM 1189 CD1 LEU A 77 3.048 -0.451 -10.786 1.00 0.00 C ATOM 1190 CD2 LEU A 77 0.706 0.159 -10.201 1.00 0.00 C ATOM 0 H LEU A 77 3.266 3.917 -10.804 1.00 0.00 H new ATOM 0 HA LEU A 77 0.816 2.881 -9.509 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.661 1.830 -9.682 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.489 1.200 -8.541 1.00 0.00 H new ATOM 0 HG LEU A 77 1.986 1.247 -11.526 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.661 -1.128 -11.548 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.014 -0.060 -11.105 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.168 -0.992 -9.847 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.355 -0.528 -10.971 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.778 -0.369 -9.250 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.003 0.986 -10.104 1.00 0.00 H new ATOM 1202 N GLY A 78 1.261 3.783 -7.274 1.00 0.00 N ATOM 1203 CA GLY A 78 1.444 4.445 -5.993 1.00 0.00 C ATOM 1204 C GLY A 78 1.241 3.492 -4.833 1.00 0.00 C ATOM 1205 O GLY A 78 1.183 2.279 -5.035 1.00 0.00 O ATOM 0 H GLY A 78 0.349 3.343 -7.397 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.447 4.870 -5.943 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.742 5.275 -5.909 1.00 0.00 H new ATOM 1209 N TYR A 79 1.135 4.040 -3.618 1.00 0.00 N ATOM 1210 CA TYR A 79 0.942 3.223 -2.418 1.00 0.00 C ATOM 1211 C TYR A 79 -0.212 3.758 -1.569 1.00 0.00 C ATOM 1212 O TYR A 79 -0.573 4.937 -1.661 1.00 0.00 O ATOM 1213 CB TYR A 79 2.232 3.163 -1.576 1.00 0.00 C ATOM 1214 CG TYR A 79 3.461 2.673 -2.331 1.00 0.00 C ATOM 1215 CD1 TYR A 79 3.497 1.414 -2.925 1.00 0.00 C ATOM 1216 CD2 TYR A 79 4.580 3.483 -2.453 1.00 0.00 C ATOM 1217 CE1 TYR A 79 4.612 0.982 -3.617 1.00 0.00 C ATOM 1218 CE2 TYR A 79 5.699 3.059 -3.142 1.00 0.00 C ATOM 1219 CZ TYR A 79 5.710 1.809 -3.724 1.00 0.00 C ATOM 1220 OH TYR A 79 6.823 1.384 -4.412 1.00 0.00 O ATOM 0 H TYR A 79 1.180 5.044 -3.441 1.00 0.00 H new ATOM 0 HA TYR A 79 0.693 2.214 -2.746 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.438 4.157 -1.180 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.062 2.508 -0.721 1.00 0.00 H new ATOM 0 HD1 TYR A 79 2.638 0.764 -2.843 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.576 4.464 -2.001 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.623 0.002 -4.071 1.00 0.00 H new ATOM 0 HE2 TYR A 79 6.562 3.703 -3.225 1.00 0.00 H new ATOM 0 HH TYR A 79 7.576 1.292 -3.791 1.00 0.00 H new ATOM 1230 N PHE A 80 -0.786 2.870 -0.750 1.00 0.00 N ATOM 1231 CA PHE A 80 -1.910 3.212 0.125 1.00 0.00 C ATOM 1232 C PHE A 80 -1.943 2.288 1.358 1.00 0.00 C ATOM 1233 O PHE A 80 -1.510 1.137 1.267 1.00 0.00 O ATOM 1234 CB PHE A 80 -3.242 3.126 -0.660 1.00 0.00 C ATOM 1235 CG PHE A 80 -3.473 1.815 -1.385 1.00 0.00 C ATOM 1236 CD1 PHE A 80 -4.025 0.719 -0.732 1.00 0.00 C ATOM 1237 CD2 PHE A 80 -3.131 1.684 -2.721 1.00 0.00 C ATOM 1238 CE1 PHE A 80 -4.225 -0.475 -1.397 1.00 0.00 C ATOM 1239 CE2 PHE A 80 -3.331 0.493 -3.390 1.00 0.00 C ATOM 1240 CZ PHE A 80 -3.879 -0.587 -2.727 1.00 0.00 C ATOM 0 H PHE A 80 -0.485 1.898 -0.676 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.778 4.236 0.475 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -4.067 3.291 0.033 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -3.271 3.937 -1.388 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -4.301 0.802 0.309 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.702 2.525 -3.246 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.652 -1.319 -0.876 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.059 0.406 -4.432 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.037 -1.519 -3.250 1.00 0.00 H new ATOM 1250 N PRO A 81 -2.452 2.762 2.533 1.00 0.00 N ATOM 1251 CA PRO A 81 -2.521 1.937 3.749 1.00 0.00 C ATOM 1252 C PRO A 81 -3.621 0.882 3.656 1.00 0.00 C ATOM 1253 O PRO A 81 -4.735 1.173 3.220 1.00 0.00 O ATOM 1254 CB PRO A 81 -2.841 2.942 4.869 1.00 0.00 C ATOM 1255 CG PRO A 81 -2.720 4.296 4.249 1.00 0.00 C ATOM 1256 CD PRO A 81 -2.993 4.110 2.787 1.00 0.00 C ATOM 0 HA PRO A 81 -1.595 1.387 3.917 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.844 2.781 5.264 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -2.149 2.831 5.703 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.431 4.993 4.693 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.725 4.711 4.410 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.058 4.169 2.562 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.496 4.868 2.181 1.00 0.00 H new ATOM 1264 N SER A 82 -3.299 -0.346 4.067 1.00 0.00 N ATOM 1265 CA SER A 82 -4.255 -1.458 4.029 1.00 0.00 C ATOM 1266 C SER A 82 -5.438 -1.222 4.976 1.00 0.00 C ATOM 1267 O SER A 82 -6.496 -1.839 4.826 1.00 0.00 O ATOM 1268 CB SER A 82 -3.546 -2.765 4.398 1.00 0.00 C ATOM 1269 OG SER A 82 -3.040 -2.716 5.721 1.00 0.00 O ATOM 0 H SER A 82 -2.380 -0.598 4.432 1.00 0.00 H new ATOM 0 HA SER A 82 -4.649 -1.525 3.015 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.241 -3.599 4.302 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.729 -2.949 3.700 1.00 0.00 H new ATOM 0 HG SER A 82 -2.183 -2.242 5.726 1.00 0.00 H new ATOM 1275 N SER A 83 -5.239 -0.329 5.950 1.00 0.00 N ATOM 1276 CA SER A 83 -6.264 -0.003 6.942 1.00 0.00 C ATOM 1277 C SER A 83 -7.485 0.703 6.337 1.00 0.00 C ATOM 1278 O SER A 83 -8.550 0.716 6.959 1.00 0.00 O ATOM 1279 CB SER A 83 -5.661 0.871 8.044 1.00 0.00 C ATOM 1280 OG SER A 83 -5.142 2.078 7.513 1.00 0.00 O ATOM 0 H SER A 83 -4.367 0.185 6.072 1.00 0.00 H new ATOM 0 HA SER A 83 -6.614 -0.949 7.354 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.422 1.097 8.791 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.868 0.324 8.553 1.00 0.00 H new ATOM 0 HG SER A 83 -4.764 2.619 8.238 1.00 0.00 H new ATOM 1286 N ILE A 84 -7.340 1.292 5.142 1.00 0.00 N ATOM 1287 CA ILE A 84 -8.466 1.992 4.513 1.00 0.00 C ATOM 1288 C ILE A 84 -9.205 1.117 3.497 1.00 0.00 C ATOM 1289 O ILE A 84 -10.214 1.547 2.932 1.00 0.00 O ATOM 1290 CB ILE A 84 -8.045 3.318 3.835 1.00 0.00 C ATOM 1291 CG1 ILE A 84 -7.138 3.065 2.628 1.00 0.00 C ATOM 1292 CG2 ILE A 84 -7.359 4.230 4.845 1.00 0.00 C ATOM 1293 CD1 ILE A 84 -6.995 4.266 1.726 1.00 0.00 C ATOM 0 H ILE A 84 -6.474 1.298 4.602 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.145 2.226 5.333 1.00 0.00 H new ATOM 0 HB ILE A 84 -8.945 3.813 3.470 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.151 2.765 2.981 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.538 2.231 2.051 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.067 5.160 4.356 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -8.046 4.450 5.662 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.472 3.734 5.240 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.340 4.018 0.891 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.975 4.554 1.345 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.567 5.095 2.289 1.00 0.00 H new ATOM 1305 N VAL A 85 -8.708 -0.103 3.260 1.00 0.00 N ATOM 1306 CA VAL A 85 -9.352 -1.001 2.298 1.00 0.00 C ATOM 1307 C VAL A 85 -9.810 -2.303 2.948 1.00 0.00 C ATOM 1308 O VAL A 85 -9.356 -2.668 4.035 1.00 0.00 O ATOM 1309 CB VAL A 85 -8.427 -1.332 1.093 1.00 0.00 C ATOM 1310 CG1 VAL A 85 -8.002 -0.064 0.369 1.00 0.00 C ATOM 1311 CG2 VAL A 85 -7.206 -2.141 1.528 1.00 0.00 C ATOM 0 H VAL A 85 -7.877 -0.485 3.712 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.226 -0.462 1.932 1.00 0.00 H new ATOM 0 HB VAL A 85 -9.001 -1.946 0.400 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.356 -0.323 -0.470 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -8.885 0.457 -0.001 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.460 0.584 1.058 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.582 -2.354 0.660 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.631 -1.569 2.256 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.532 -3.078 1.979 1.00 0.00 H new ATOM 1321 N ARG A 86 -10.707 -2.999 2.251 1.00 0.00 N ATOM 1322 CA ARG A 86 -11.238 -4.273 2.713 1.00 0.00 C ATOM 1323 C ARG A 86 -11.246 -5.273 1.561 1.00 0.00 C ATOM 1324 O ARG A 86 -11.950 -5.082 0.563 1.00 0.00 O ATOM 1325 CB ARG A 86 -12.650 -4.095 3.281 1.00 0.00 C ATOM 1326 CG ARG A 86 -13.227 -5.354 3.912 1.00 0.00 C ATOM 1327 CD ARG A 86 -14.625 -5.114 4.455 1.00 0.00 C ATOM 1328 NE ARG A 86 -15.202 -6.325 5.042 1.00 0.00 N ATOM 1329 CZ ARG A 86 -16.418 -6.390 5.592 1.00 0.00 C ATOM 1330 NH1 ARG A 86 -17.205 -5.317 5.642 1.00 0.00 N ATOM 1331 NH2 ARG A 86 -16.850 -7.538 6.096 1.00 0.00 N ATOM 0 H ARG A 86 -11.083 -2.694 1.353 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.600 -4.655 3.510 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.632 -3.302 4.028 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -13.313 -3.765 2.481 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -13.255 -6.153 3.171 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.575 -5.690 4.718 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -14.591 -4.327 5.208 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -15.270 -4.758 3.651 1.00 0.00 H new ATOM 0 HE ARG A 86 -14.638 -7.175 5.030 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -16.882 -4.429 5.257 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -18.131 -5.383 6.065 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -16.255 -8.366 6.063 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -17.777 -7.593 6.517 1.00 0.00 H new ATOM 1345 N GLU A 87 -10.450 -6.331 1.708 1.00 0.00 N ATOM 1346 CA GLU A 87 -10.345 -7.368 0.687 1.00 0.00 C ATOM 1347 C GLU A 87 -11.521 -8.329 0.754 1.00 0.00 C ATOM 1348 O GLU A 87 -12.029 -8.630 1.837 1.00 0.00 O ATOM 1349 CB GLU A 87 -9.031 -8.138 0.840 1.00 0.00 C ATOM 1350 CG GLU A 87 -7.794 -7.364 0.400 1.00 0.00 C ATOM 1351 CD GLU A 87 -7.718 -7.115 -1.101 1.00 0.00 C ATOM 1352 OE1 GLU A 87 -8.643 -7.524 -1.837 1.00 0.00 O ATOM 1353 OE2 GLU A 87 -6.723 -6.507 -1.543 1.00 0.00 O ATOM 0 H GLU A 87 -9.866 -6.491 2.529 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.360 -6.878 -0.287 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.912 -8.426 1.884 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.094 -9.059 0.260 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.775 -6.405 0.918 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.905 -7.912 0.712 1.00 0.00 H new ATOM 1360 N ASP A 88 -11.950 -8.805 -0.417 1.00 0.00 N ATOM 1361 CA ASP A 88 -13.070 -9.734 -0.508 1.00 0.00 C ATOM 1362 C ASP A 88 -12.891 -10.718 -1.663 1.00 0.00 C ATOM 1363 O ASP A 88 -13.374 -11.850 -1.591 1.00 0.00 O ATOM 1364 CB ASP A 88 -14.394 -8.971 -0.665 1.00 0.00 C ATOM 1365 CG ASP A 88 -14.441 -8.101 -1.911 1.00 0.00 C ATOM 1366 OD1 ASP A 88 -13.639 -7.147 -2.004 1.00 0.00 O ATOM 1367 OD2 ASP A 88 -15.280 -8.376 -2.794 1.00 0.00 O ATOM 0 H ASP A 88 -11.535 -8.559 -1.316 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.097 -10.305 0.420 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.216 -9.686 -0.698 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -14.551 -8.345 0.213 1.00 0.00 H new ATOM 1372 N GLN A 89 -12.217 -10.281 -2.734 1.00 0.00 N ATOM 1373 CA GLN A 89 -12.012 -11.146 -3.903 1.00 0.00 C ATOM 1374 C GLN A 89 -10.573 -11.072 -4.430 1.00 0.00 C ATOM 1375 O GLN A 89 -9.973 -9.999 -4.470 1.00 0.00 O ATOM 1376 CB GLN A 89 -13.004 -10.747 -5.005 1.00 0.00 C ATOM 1377 CG GLN A 89 -13.491 -11.908 -5.864 1.00 0.00 C ATOM 1378 CD GLN A 89 -12.441 -12.431 -6.825 1.00 0.00 C ATOM 1379 OE1 GLN A 89 -11.967 -11.707 -7.699 1.00 0.00 O ATOM 1380 NE2 GLN A 89 -12.073 -13.696 -6.668 1.00 0.00 N ATOM 0 H GLN A 89 -11.810 -9.349 -2.816 1.00 0.00 H new ATOM 0 HA GLN A 89 -12.187 -12.178 -3.598 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -13.866 -10.265 -4.544 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -12.533 -10.006 -5.651 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -13.814 -12.721 -5.213 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -14.365 -11.588 -6.432 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -12.492 -14.261 -5.930 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.371 -14.103 -7.286 1.00 0.00 H new ATOM 1389 N THR A 90 -10.040 -12.232 -4.850 1.00 0.00 N ATOM 1390 CA THR A 90 -8.681 -12.331 -5.401 1.00 0.00 C ATOM 1391 C THR A 90 -8.750 -12.555 -6.917 1.00 0.00 C ATOM 1392 O THR A 90 -9.393 -13.496 -7.382 1.00 0.00 O ATOM 1393 CB THR A 90 -7.914 -13.481 -4.726 1.00 0.00 C ATOM 1394 OG1 THR A 90 -7.916 -13.321 -3.318 1.00 0.00 O ATOM 1395 CG2 THR A 90 -6.464 -13.607 -5.163 1.00 0.00 C ATOM 0 H THR A 90 -10.537 -13.122 -4.817 1.00 0.00 H new ATOM 0 HA THR A 90 -8.150 -11.400 -5.204 1.00 0.00 H new ATOM 0 HB THR A 90 -8.441 -14.383 -5.036 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.448 -12.493 -3.082 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.997 -14.441 -4.640 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.422 -13.784 -6.238 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.931 -12.686 -4.926 1.00 0.00 H new ATOM 1403 N LEU A 91 -8.097 -11.679 -7.675 1.00 0.00 N ATOM 1404 CA LEU A 91 -8.102 -11.759 -9.139 1.00 0.00 C ATOM 1405 C LEU A 91 -6.983 -12.657 -9.663 1.00 0.00 C ATOM 1406 O LEU A 91 -7.068 -13.170 -10.782 1.00 0.00 O ATOM 1407 CB LEU A 91 -7.941 -10.353 -9.732 1.00 0.00 C ATOM 1408 CG LEU A 91 -8.904 -9.289 -9.188 1.00 0.00 C ATOM 1409 CD1 LEU A 91 -8.449 -7.902 -9.607 1.00 0.00 C ATOM 1410 CD2 LEU A 91 -10.329 -9.548 -9.655 1.00 0.00 C ATOM 0 H LEU A 91 -7.554 -10.901 -7.301 1.00 0.00 H new ATOM 0 HA LEU A 91 -9.054 -12.193 -9.444 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.919 -10.018 -9.553 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.071 -10.417 -10.812 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.893 -9.347 -8.100 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -9.142 -7.158 -9.214 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.450 -7.712 -9.213 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.428 -7.839 -10.695 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.989 -8.779 -9.254 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -10.365 -9.525 -10.744 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.656 -10.526 -9.302 1.00 0.00 H new ATOM 1422 N LYS A 92 -5.942 -12.835 -8.848 1.00 0.00 N ATOM 1423 CA LYS A 92 -4.787 -13.665 -9.212 1.00 0.00 C ATOM 1424 C LYS A 92 -3.917 -13.939 -7.969 1.00 0.00 C ATOM 1425 O LYS A 92 -3.575 -12.999 -7.251 1.00 0.00 O ATOM 1426 CB LYS A 92 -3.949 -12.969 -10.309 1.00 0.00 C ATOM 1427 CG LYS A 92 -2.801 -13.824 -10.860 1.00 0.00 C ATOM 1428 CD LYS A 92 -3.065 -14.350 -12.276 1.00 0.00 C ATOM 1429 CE LYS A 92 -4.194 -15.376 -12.327 1.00 0.00 C ATOM 1430 NZ LYS A 92 -4.431 -15.874 -13.710 1.00 0.00 N ATOM 0 H LYS A 92 -5.873 -12.412 -7.922 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.150 -14.616 -9.603 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.607 -12.691 -11.132 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.537 -12.045 -9.904 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -1.886 -13.232 -10.864 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -2.632 -14.668 -10.191 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -3.312 -13.513 -12.929 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.153 -14.801 -12.667 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -3.951 -16.216 -11.676 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -5.109 -14.928 -11.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -5.205 -16.568 -13.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -4.688 -15.077 -14.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.566 -16.325 -14.070 1.00 0.00 H new ATOM 1444 N PRO A 93 -3.557 -15.230 -7.679 1.00 0.00 N ATOM 1445 CA PRO A 93 -2.742 -15.577 -6.506 1.00 0.00 C ATOM 1446 C PRO A 93 -1.423 -14.804 -6.432 1.00 0.00 C ATOM 1447 O PRO A 93 -0.610 -14.854 -7.358 1.00 0.00 O ATOM 1448 CB PRO A 93 -2.440 -17.068 -6.666 1.00 0.00 C ATOM 1449 CG PRO A 93 -3.357 -17.595 -7.712 1.00 0.00 C ATOM 1450 CD PRO A 93 -3.941 -16.430 -8.456 1.00 0.00 C ATOM 0 HA PRO A 93 -3.282 -15.327 -5.593 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.400 -17.221 -6.954 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.590 -17.594 -5.723 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -2.817 -18.250 -8.396 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.149 -18.191 -7.258 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.552 -16.380 -9.473 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -5.025 -16.517 -8.533 1.00 0.00 H new ATOM 1458 N GLY A 94 -1.220 -14.109 -5.310 1.00 0.00 N ATOM 1459 CA GLY A 94 0.002 -13.348 -5.100 1.00 0.00 C ATOM 1460 C GLY A 94 0.919 -14.050 -4.123 1.00 0.00 C ATOM 1461 O GLY A 94 0.780 -13.891 -2.908 1.00 0.00 O ATOM 0 H GLY A 94 -1.886 -14.061 -4.539 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.516 -13.210 -6.051 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -0.244 -12.355 -4.724 1.00 0.00 H new ATOM 1465 N LYS A 95 1.834 -14.853 -4.660 1.00 0.00 N ATOM 1466 CA LYS A 95 2.767 -15.624 -3.839 1.00 0.00 C ATOM 1467 C LYS A 95 4.182 -15.644 -4.431 1.00 0.00 C ATOM 1468 O LYS A 95 4.917 -16.625 -4.281 1.00 0.00 O ATOM 1469 CB LYS A 95 2.225 -17.051 -3.650 1.00 0.00 C ATOM 1470 CG LYS A 95 1.503 -17.593 -4.878 1.00 0.00 C ATOM 1471 CD LYS A 95 0.803 -18.932 -4.630 1.00 0.00 C ATOM 1472 CE LYS A 95 -0.442 -18.805 -3.750 1.00 0.00 C ATOM 1473 NZ LYS A 95 -0.111 -18.612 -2.309 1.00 0.00 N ATOM 0 H LYS A 95 1.950 -14.988 -5.664 1.00 0.00 H new ATOM 0 HA LYS A 95 2.847 -15.137 -2.867 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.052 -17.716 -3.402 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.541 -17.062 -2.801 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.766 -16.862 -5.209 1.00 0.00 H new ATOM 0 HG3 LYS A 95 2.221 -17.712 -5.690 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.521 -19.370 -5.587 1.00 0.00 H new ATOM 0 HD3 LYS A 95 1.505 -19.620 -4.159 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -1.042 -17.964 -4.096 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -1.053 -19.700 -3.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.770 -19.165 -1.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.862 -18.932 -2.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.194 -17.604 -2.066 1.00 0.00 H new ATOM 1487 N VAL A 96 4.561 -14.543 -5.089 1.00 0.00 N ATOM 1488 CA VAL A 96 5.893 -14.414 -5.689 1.00 0.00 C ATOM 1489 C VAL A 96 6.619 -13.200 -5.102 1.00 0.00 C ATOM 1490 O VAL A 96 6.221 -12.056 -5.331 1.00 0.00 O ATOM 1491 CB VAL A 96 5.818 -14.289 -7.236 1.00 0.00 C ATOM 1492 CG1 VAL A 96 7.212 -14.207 -7.851 1.00 0.00 C ATOM 1493 CG2 VAL A 96 5.046 -15.457 -7.835 1.00 0.00 C ATOM 0 H VAL A 96 3.963 -13.727 -5.220 1.00 0.00 H new ATOM 0 HA VAL A 96 6.450 -15.321 -5.454 1.00 0.00 H new ATOM 0 HB VAL A 96 5.288 -13.365 -7.468 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.127 -14.120 -8.934 1.00 0.00 H new ATOM 0 HG12 VAL A 96 7.733 -13.334 -7.457 1.00 0.00 H new ATOM 0 HG13 VAL A 96 7.773 -15.108 -7.602 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.006 -15.349 -8.919 1.00 0.00 H new ATOM 0 HG22 VAL A 96 5.546 -16.392 -7.582 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.033 -15.467 -7.434 1.00 0.00 H new ATOM 1503 N ASP A 97 7.679 -13.465 -4.334 1.00 0.00 N ATOM 1504 CA ASP A 97 8.464 -12.406 -3.693 1.00 0.00 C ATOM 1505 C ASP A 97 9.423 -11.747 -4.687 1.00 0.00 C ATOM 1506 O ASP A 97 10.311 -12.402 -5.236 1.00 0.00 O ATOM 1507 CB ASP A 97 9.245 -12.983 -2.503 1.00 0.00 C ATOM 1508 CG ASP A 97 9.917 -11.921 -1.637 1.00 0.00 C ATOM 1509 OD1 ASP A 97 9.711 -10.713 -1.885 1.00 0.00 O ATOM 1510 OD2 ASP A 97 10.646 -12.307 -0.698 1.00 0.00 O ATOM 0 H ASP A 97 8.015 -14.408 -4.140 1.00 0.00 H new ATOM 0 HA ASP A 97 7.776 -11.640 -3.335 1.00 0.00 H new ATOM 0 HB2 ASP A 97 8.565 -13.568 -1.883 1.00 0.00 H new ATOM 0 HB3 ASP A 97 10.005 -13.669 -2.877 1.00 0.00 H new ATOM 1515 N VAL A 98 9.232 -10.440 -4.899 1.00 0.00 N ATOM 1516 CA VAL A 98 10.073 -9.662 -5.814 1.00 0.00 C ATOM 1517 C VAL A 98 10.662 -8.451 -5.081 1.00 0.00 C ATOM 1518 O VAL A 98 9.942 -7.728 -4.392 1.00 0.00 O ATOM 1519 CB VAL A 98 9.277 -9.170 -7.057 1.00 0.00 C ATOM 1520 CG1 VAL A 98 10.214 -8.583 -8.107 1.00 0.00 C ATOM 1521 CG2 VAL A 98 8.443 -10.294 -7.659 1.00 0.00 C ATOM 0 H VAL A 98 8.497 -9.897 -4.446 1.00 0.00 H new ATOM 0 HA VAL A 98 10.872 -10.318 -6.160 1.00 0.00 H new ATOM 0 HB VAL A 98 8.598 -8.385 -6.723 1.00 0.00 H new ATOM 0 HG11 VAL A 98 9.633 -8.246 -8.966 1.00 0.00 H new ATOM 0 HG12 VAL A 98 10.754 -7.738 -7.681 1.00 0.00 H new ATOM 0 HG13 VAL A 98 10.925 -9.345 -8.426 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.899 -9.919 -8.526 1.00 0.00 H new ATOM 0 HG22 VAL A 98 9.098 -11.109 -7.967 1.00 0.00 H new ATOM 0 HG23 VAL A 98 7.734 -10.660 -6.916 1.00 0.00 H new ATOM 1531 N LYS A 99 11.974 -8.245 -5.235 1.00 0.00 N ATOM 1532 CA LYS A 99 12.672 -7.126 -4.588 1.00 0.00 C ATOM 1533 C LYS A 99 12.344 -5.804 -5.293 1.00 0.00 C ATOM 1534 O LYS A 99 11.905 -5.808 -6.447 1.00 0.00 O ATOM 1535 CB LYS A 99 14.189 -7.351 -4.634 1.00 0.00 C ATOM 1536 CG LYS A 99 14.639 -8.703 -4.113 1.00 0.00 C ATOM 1537 CD LYS A 99 16.115 -8.940 -4.402 1.00 0.00 C ATOM 1538 CE LYS A 99 16.550 -10.350 -4.028 1.00 0.00 C ATOM 1539 NZ LYS A 99 16.453 -10.599 -2.564 1.00 0.00 N ATOM 0 H LYS A 99 12.577 -8.840 -5.804 1.00 0.00 H new ATOM 0 HA LYS A 99 12.338 -7.074 -3.552 1.00 0.00 H new ATOM 0 HB2 LYS A 99 14.529 -7.241 -5.664 1.00 0.00 H new ATOM 0 HB3 LYS A 99 14.678 -6.570 -4.051 1.00 0.00 H new ATOM 0 HG2 LYS A 99 14.462 -8.759 -3.039 1.00 0.00 H new ATOM 0 HG3 LYS A 99 14.044 -9.490 -4.575 1.00 0.00 H new ATOM 0 HD2 LYS A 99 16.309 -8.770 -5.461 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.714 -8.217 -3.848 1.00 0.00 H new ATOM 0 HE2 LYS A 99 15.930 -11.072 -4.559 1.00 0.00 H new ATOM 0 HE3 LYS A 99 17.578 -10.510 -4.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 17.359 -10.972 -2.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 16.233 -9.708 -2.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 15.699 -11.291 -2.379 1.00 0.00 H new ATOM 1553 N THR A 100 12.570 -4.678 -4.604 1.00 0.00 N ATOM 1554 CA THR A 100 12.305 -3.355 -5.185 1.00 0.00 C ATOM 1555 C THR A 100 13.604 -2.710 -5.670 1.00 0.00 C ATOM 1556 O THR A 100 14.699 -3.184 -5.352 1.00 0.00 O ATOM 1557 CB THR A 100 11.617 -2.428 -4.171 1.00 0.00 C ATOM 1558 OG1 THR A 100 12.487 -2.124 -3.096 1.00 0.00 O ATOM 1559 CG2 THR A 100 10.350 -3.010 -3.582 1.00 0.00 C ATOM 0 H THR A 100 12.933 -4.656 -3.651 1.00 0.00 H new ATOM 0 HA THR A 100 11.636 -3.498 -6.034 1.00 0.00 H new ATOM 0 HB THR A 100 11.356 -1.533 -4.736 1.00 0.00 H new ATOM 0 HG1 THR A 100 12.555 -2.900 -2.501 1.00 0.00 H new ATOM 0 HG21 THR A 100 9.919 -2.301 -2.875 1.00 0.00 H new ATOM 0 HG22 THR A 100 9.635 -3.207 -4.380 1.00 0.00 H new ATOM 0 HG23 THR A 100 10.583 -3.941 -3.066 1.00 0.00 H new ATOM 1567 N ASP A 101 13.470 -1.625 -6.436 1.00 0.00 N ATOM 1568 CA ASP A 101 14.620 -0.897 -6.971 1.00 0.00 C ATOM 1569 C ASP A 101 14.625 0.544 -6.462 1.00 0.00 C ATOM 1570 O ASP A 101 13.739 0.939 -5.699 1.00 0.00 O ATOM 1571 CB ASP A 101 14.596 -0.919 -8.502 1.00 0.00 C ATOM 1572 CG ASP A 101 14.670 -2.325 -9.067 1.00 0.00 C ATOM 1573 OD1 ASP A 101 15.678 -3.018 -8.814 1.00 0.00 O ATOM 1574 OD2 ASP A 101 13.717 -2.734 -9.763 1.00 0.00 O ATOM 0 H ASP A 101 12.568 -1.230 -6.701 1.00 0.00 H new ATOM 0 HA ASP A 101 15.531 -1.388 -6.628 1.00 0.00 H new ATOM 0 HB2 ASP A 101 13.684 -0.438 -8.854 1.00 0.00 H new ATOM 0 HB3 ASP A 101 15.433 -0.334 -8.883 1.00 0.00 H new ATOM 1579 N LYS A 102 15.626 1.327 -6.886 1.00 0.00 N ATOM 1580 CA LYS A 102 15.738 2.725 -6.467 1.00 0.00 C ATOM 1581 C LYS A 102 14.757 3.616 -7.232 1.00 0.00 C ATOM 1582 O LYS A 102 14.342 4.658 -6.727 1.00 0.00 O ATOM 1583 CB LYS A 102 17.173 3.246 -6.650 1.00 0.00 C ATOM 1584 CG LYS A 102 17.677 3.210 -8.093 1.00 0.00 C ATOM 1585 CD LYS A 102 18.941 4.044 -8.288 1.00 0.00 C ATOM 1586 CE LYS A 102 18.658 5.542 -8.208 1.00 0.00 C ATOM 1587 NZ LYS A 102 19.891 6.352 -8.418 1.00 0.00 N ATOM 0 H LYS A 102 16.365 1.015 -7.516 1.00 0.00 H new ATOM 0 HA LYS A 102 15.486 2.765 -5.407 1.00 0.00 H new ATOM 0 HB2 LYS A 102 17.224 4.272 -6.285 1.00 0.00 H new ATOM 0 HB3 LYS A 102 17.844 2.653 -6.028 1.00 0.00 H new ATOM 0 HG2 LYS A 102 17.878 2.178 -8.379 1.00 0.00 H new ATOM 0 HG3 LYS A 102 16.895 3.579 -8.757 1.00 0.00 H new ATOM 0 HD2 LYS A 102 19.674 3.773 -7.529 1.00 0.00 H new ATOM 0 HD3 LYS A 102 19.383 3.810 -9.256 1.00 0.00 H new ATOM 0 HE2 LYS A 102 17.914 5.812 -8.958 1.00 0.00 H new ATOM 0 HE3 LYS A 102 18.229 5.779 -7.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 19.657 7.363 -8.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 20.592 6.114 -7.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 20.286 6.145 -9.357 1.00 0.00 H new ATOM 1601 N TRP A 103 14.398 3.198 -8.453 1.00 0.00 N ATOM 1602 CA TRP A 103 13.471 3.960 -9.295 1.00 0.00 C ATOM 1603 C TRP A 103 12.035 3.834 -8.788 1.00 0.00 C ATOM 1604 O TRP A 103 11.168 4.635 -9.150 1.00 0.00 O ATOM 1605 CB TRP A 103 13.549 3.490 -10.757 1.00 0.00 C ATOM 1606 CG TRP A 103 14.921 3.597 -11.361 1.00 0.00 C ATOM 1607 CD1 TRP A 103 15.909 2.655 -11.320 1.00 0.00 C ATOM 1608 CD2 TRP A 103 15.461 4.712 -12.086 1.00 0.00 C ATOM 1609 NE1 TRP A 103 17.027 3.112 -11.975 1.00 0.00 N ATOM 1610 CE2 TRP A 103 16.778 4.371 -12.454 1.00 0.00 C ATOM 1611 CE3 TRP A 103 14.962 5.963 -12.463 1.00 0.00 C ATOM 1612 CZ2 TRP A 103 17.597 5.234 -13.176 1.00 0.00 C ATOM 1613 CZ3 TRP A 103 15.777 6.820 -13.179 1.00 0.00 C ATOM 1614 CH2 TRP A 103 17.082 6.451 -13.530 1.00 0.00 C ATOM 0 H TRP A 103 14.737 2.335 -8.879 1.00 0.00 H new ATOM 0 HA TRP A 103 13.767 5.008 -9.244 1.00 0.00 H new ATOM 0 HB2 TRP A 103 13.219 2.453 -10.813 1.00 0.00 H new ATOM 0 HB3 TRP A 103 12.853 4.079 -11.355 1.00 0.00 H new ATOM 0 HD1 TRP A 103 15.824 1.690 -10.842 1.00 0.00 H new ATOM 0 HE1 TRP A 103 17.901 2.597 -12.086 1.00 0.00 H new ATOM 0 HE3 TRP A 103 13.956 6.255 -12.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 18.604 4.953 -13.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 15.402 7.789 -13.472 1.00 0.00 H new ATOM 0 HH2 TRP A 103 17.694 7.141 -14.092 1.00 0.00 H new ATOM 1625 N ASP A 104 11.796 2.827 -7.946 1.00 0.00 N ATOM 1626 CA ASP A 104 10.475 2.581 -7.374 1.00 0.00 C ATOM 1627 C ASP A 104 10.176 3.545 -6.225 1.00 0.00 C ATOM 1628 O ASP A 104 9.012 3.761 -5.878 1.00 0.00 O ATOM 1629 CB ASP A 104 10.381 1.128 -6.892 1.00 0.00 C ATOM 1630 CG ASP A 104 10.264 0.146 -8.042 1.00 0.00 C ATOM 1631 OD1 ASP A 104 9.273 0.231 -8.798 1.00 0.00 O ATOM 1632 OD2 ASP A 104 11.164 -0.706 -8.190 1.00 0.00 O ATOM 0 H ASP A 104 12.509 2.164 -7.644 1.00 0.00 H new ATOM 0 HA ASP A 104 9.729 2.752 -8.150 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.263 0.886 -6.299 1.00 0.00 H new ATOM 0 HB3 ASP A 104 9.517 1.020 -6.236 1.00 0.00 H new ATOM 1637 N PHE A 105 11.234 4.119 -5.637 1.00 0.00 N ATOM 1638 CA PHE A 105 11.087 5.058 -4.522 1.00 0.00 C ATOM 1639 C PHE A 105 11.878 6.352 -4.769 1.00 0.00 C ATOM 1640 O PHE A 105 12.602 6.829 -3.888 1.00 0.00 O ATOM 1641 CB PHE A 105 11.546 4.407 -3.202 1.00 0.00 C ATOM 1642 CG PHE A 105 10.655 3.300 -2.696 1.00 0.00 C ATOM 1643 CD1 PHE A 105 10.797 1.995 -3.152 1.00 0.00 C ATOM 1644 CD2 PHE A 105 9.689 3.565 -1.741 1.00 0.00 C ATOM 1645 CE1 PHE A 105 9.985 0.985 -2.670 1.00 0.00 C ATOM 1646 CE2 PHE A 105 8.880 2.557 -1.255 1.00 0.00 C ATOM 1647 CZ PHE A 105 9.027 1.268 -1.720 1.00 0.00 C ATOM 0 H PHE A 105 12.200 3.948 -5.916 1.00 0.00 H new ATOM 0 HA PHE A 105 10.030 5.314 -4.446 1.00 0.00 H new ATOM 0 HB2 PHE A 105 12.552 4.010 -3.340 1.00 0.00 H new ATOM 0 HB3 PHE A 105 11.611 5.180 -2.436 1.00 0.00 H new ATOM 0 HD1 PHE A 105 11.550 1.767 -3.891 1.00 0.00 H new ATOM 0 HD2 PHE A 105 9.566 4.572 -1.371 1.00 0.00 H new ATOM 0 HE1 PHE A 105 10.101 -0.024 -3.037 1.00 0.00 H new ATOM 0 HE2 PHE A 105 8.131 2.779 -0.509 1.00 0.00 H new ATOM 0 HZ PHE A 105 8.393 0.481 -1.341 1.00 0.00 H new ATOM 1657 N TYR A 106 11.735 6.918 -5.972 1.00 0.00 N ATOM 1658 CA TYR A 106 12.438 8.157 -6.332 1.00 0.00 C ATOM 1659 C TYR A 106 11.635 8.973 -7.351 1.00 0.00 C ATOM 1660 O TYR A 106 11.389 8.522 -8.472 1.00 0.00 O ATOM 1661 CB TYR A 106 13.846 7.820 -6.874 1.00 0.00 C ATOM 1662 CG TYR A 106 14.701 9.006 -7.317 1.00 0.00 C ATOM 1663 CD1 TYR A 106 14.809 10.172 -6.553 1.00 0.00 C ATOM 1664 CD2 TYR A 106 15.409 8.944 -8.513 1.00 0.00 C ATOM 1665 CE1 TYR A 106 15.592 11.229 -6.976 1.00 0.00 C ATOM 1666 CE2 TYR A 106 16.193 10.000 -8.936 1.00 0.00 C ATOM 1667 CZ TYR A 106 16.281 11.139 -8.166 1.00 0.00 C ATOM 1668 OH TYR A 106 17.061 12.191 -8.587 1.00 0.00 O ATOM 0 H TYR A 106 11.142 6.541 -6.711 1.00 0.00 H new ATOM 0 HA TYR A 106 12.544 8.771 -5.438 1.00 0.00 H new ATOM 0 HB2 TYR A 106 14.389 7.276 -6.101 1.00 0.00 H new ATOM 0 HB3 TYR A 106 13.734 7.143 -7.721 1.00 0.00 H new ATOM 0 HD1 TYR A 106 14.273 10.248 -5.619 1.00 0.00 H new ATOM 0 HD2 TYR A 106 15.345 8.054 -9.122 1.00 0.00 H new ATOM 0 HE1 TYR A 106 15.664 12.124 -6.375 1.00 0.00 H new ATOM 0 HE2 TYR A 106 16.735 9.933 -9.868 1.00 0.00 H new ATOM 0 HH TYR A 106 17.479 11.966 -9.444 1.00 0.00 H new ATOM 1678 N CYS A 107 11.247 10.185 -6.941 1.00 0.00 N ATOM 1679 CA CYS A 107 10.486 11.099 -7.795 1.00 0.00 C ATOM 1680 C CYS A 107 11.303 12.347 -8.111 1.00 0.00 C ATOM 1681 O CYS A 107 12.217 12.704 -7.363 1.00 0.00 O ATOM 1682 CB CYS A 107 9.174 11.512 -7.121 1.00 0.00 C ATOM 1683 SG CYS A 107 7.918 10.197 -7.022 1.00 0.00 S ATOM 0 H CYS A 107 11.451 10.557 -6.013 1.00 0.00 H new ATOM 0 HA CYS A 107 10.260 10.572 -8.722 1.00 0.00 H new ATOM 0 HB2 CYS A 107 9.394 11.861 -6.112 1.00 0.00 H new ATOM 0 HB3 CYS A 107 8.753 12.357 -7.666 1.00 0.00 H new ATOM 1688 N GLN A 108 10.960 13.012 -9.216 1.00 0.00 N ATOM 1689 CA GLN A 108 11.651 14.232 -9.634 1.00 0.00 C ATOM 1690 C GLN A 108 10.647 15.324 -9.993 1.00 0.00 C ATOM 1691 O GLN A 108 10.945 16.509 -9.732 1.00 0.00 O ATOM 1692 CB GLN A 108 12.569 13.959 -10.832 1.00 0.00 C ATOM 1693 CG GLN A 108 13.731 13.020 -10.523 1.00 0.00 C ATOM 1694 CD GLN A 108 14.664 12.763 -11.708 1.00 0.00 C ATOM 1695 OE1 GLN A 108 14.385 13.361 -12.870 1.00 0.00 O flip ATOM 1696 NE2 GLN A 108 15.639 12.024 -11.578 1.00 0.00 N flip ATOM 1697 OXT GLN A 108 9.573 14.986 -10.533 1.00 0.00 O ATOM 0 H GLN A 108 10.205 12.724 -9.839 1.00 0.00 H new ATOM 0 HA GLN A 108 12.260 14.572 -8.797 1.00 0.00 H new ATOM 0 HB2 GLN A 108 11.976 13.532 -11.641 1.00 0.00 H new ATOM 0 HB3 GLN A 108 12.968 14.907 -11.194 1.00 0.00 H new ATOM 0 HG2 GLN A 108 14.313 13.438 -9.702 1.00 0.00 H new ATOM 0 HG3 GLN A 108 13.331 12.067 -10.177 1.00 0.00 H new ATOM 0 HE21 GLN A 108 15.827 11.581 -10.679 1.00 0.00 H new ATOM 0 HE22 GLN A 108 16.259 11.854 -12.370 1.00 0.00 H new TER 1706 GLN A 108