USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 656 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 28 MET CE :methyl -127:sc= -0.265 (180deg=-0.319) USER MOD Set 1.2: A 33 SER OG : rot -68:sc= -0.235 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 36:sc= 0.245 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0.0959 X(o=0.096,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -1.38 K(o=-1.4,f=0.03) USER MOD Single : A 45 GLN : amide:sc= -5.29! C(o=-5.3!,f=-12!) USER MOD Single : A 47 CYS SG : rot -74:sc= -0.206 USER MOD Single : A 48 CYS SG : rot -3:sc= -2.01 USER MOD Single : A 51 TYR OH : rot -130:sc= -0.996 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -160:sc= -0.531 USER MOD Single : A 65 THR OG1 : rot -157:sc= -5.57! USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 43:sc= 1.06 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.952 -13.108 -14.371 1.00 0.00 N ATOM 2 CA GLY A 1 16.477 -11.925 -13.674 1.00 0.00 C ATOM 3 C GLY A 1 15.089 -11.516 -14.171 1.00 0.00 C ATOM 4 O GLY A 1 14.965 -10.652 -15.037 1.00 0.00 O ATOM 0 H1 GLY A 1 17.895 -13.365 -14.016 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.293 -13.896 -14.206 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.008 -12.911 -15.391 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.440 -12.120 -12.602 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.178 -11.104 -13.825 1.00 0.00 H new ATOM 8 N SER A 2 14.079 -12.156 -13.600 1.00 0.00 N ATOM 9 CA SER A 2 12.704 -11.870 -13.973 1.00 0.00 C ATOM 10 C SER A 2 11.899 -11.469 -12.736 1.00 0.00 C ATOM 11 O SER A 2 11.718 -12.271 -11.822 1.00 0.00 O ATOM 12 CB SER A 2 12.058 -13.075 -14.660 1.00 0.00 C ATOM 13 OG SER A 2 12.161 -14.257 -13.872 1.00 0.00 O ATOM 0 H SER A 2 14.186 -12.872 -12.881 1.00 0.00 H new ATOM 0 HA SER A 2 12.707 -11.041 -14.681 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.007 -12.860 -14.856 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.535 -13.240 -15.626 1.00 0.00 H new ATOM 0 HG SER A 2 12.071 -14.027 -12.924 1.00 0.00 H new ATOM 19 N SER A 3 11.436 -10.227 -12.748 1.00 0.00 N ATOM 20 CA SER A 3 10.654 -9.710 -11.638 1.00 0.00 C ATOM 21 C SER A 3 11.556 -9.479 -10.424 1.00 0.00 C ATOM 22 O SER A 3 11.672 -8.355 -9.938 1.00 0.00 O ATOM 23 CB SER A 3 9.513 -10.663 -11.277 1.00 0.00 C ATOM 24 OG SER A 3 8.506 -10.021 -10.499 1.00 0.00 O ATOM 0 H SER A 3 11.588 -9.564 -13.509 1.00 0.00 H new ATOM 0 HA SER A 3 10.216 -8.760 -11.943 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.068 -11.058 -12.190 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.912 -11.513 -10.723 1.00 0.00 H new ATOM 0 HG SER A 3 7.795 -10.662 -10.291 1.00 0.00 H new ATOM 30 N GLY A 4 12.172 -10.560 -9.971 1.00 0.00 N ATOM 31 CA GLY A 4 13.061 -10.489 -8.823 1.00 0.00 C ATOM 32 C GLY A 4 12.542 -11.354 -7.673 1.00 0.00 C ATOM 33 O GLY A 4 13.074 -12.432 -7.413 1.00 0.00 O ATOM 0 H GLY A 4 12.074 -11.490 -10.378 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.059 -10.820 -9.110 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.152 -9.454 -8.492 1.00 0.00 H new ATOM 37 N SER A 5 11.508 -10.849 -7.015 1.00 0.00 N ATOM 38 CA SER A 5 10.911 -11.563 -5.899 1.00 0.00 C ATOM 39 C SER A 5 11.978 -11.877 -4.848 1.00 0.00 C ATOM 40 O SER A 5 12.723 -12.845 -4.985 1.00 0.00 O ATOM 41 CB SER A 5 10.233 -12.851 -6.368 1.00 0.00 C ATOM 42 OG SER A 5 9.282 -13.330 -5.421 1.00 0.00 O ATOM 0 H SER A 5 11.069 -9.955 -7.233 1.00 0.00 H new ATOM 0 HA SER A 5 10.148 -10.925 -5.454 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.736 -12.673 -7.322 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.989 -13.617 -6.541 1.00 0.00 H new ATOM 0 HG SER A 5 8.870 -14.153 -5.759 1.00 0.00 H new ATOM 48 N SER A 6 12.017 -11.040 -3.822 1.00 0.00 N ATOM 49 CA SER A 6 12.979 -11.216 -2.748 1.00 0.00 C ATOM 50 C SER A 6 12.457 -10.568 -1.464 1.00 0.00 C ATOM 51 O SER A 6 11.510 -9.782 -1.502 1.00 0.00 O ATOM 52 CB SER A 6 14.339 -10.625 -3.125 1.00 0.00 C ATOM 53 OG SER A 6 14.325 -9.200 -3.110 1.00 0.00 O ATOM 0 H SER A 6 11.397 -10.237 -3.712 1.00 0.00 H new ATOM 0 HA SER A 6 13.111 -12.285 -2.580 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.097 -10.987 -2.430 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.623 -10.974 -4.118 1.00 0.00 H new ATOM 0 HG SER A 6 15.212 -8.862 -3.354 1.00 0.00 H new ATOM 59 N GLY A 7 13.095 -10.920 -0.359 1.00 0.00 N ATOM 60 CA GLY A 7 12.707 -10.382 0.934 1.00 0.00 C ATOM 61 C GLY A 7 13.668 -9.279 1.381 1.00 0.00 C ATOM 62 O GLY A 7 14.754 -9.563 1.884 1.00 0.00 O ATOM 0 H GLY A 7 13.879 -11.572 -0.332 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.694 -9.985 0.877 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.695 -11.181 1.675 1.00 0.00 H new ATOM 66 N GLY A 8 13.234 -8.043 1.180 1.00 0.00 N ATOM 67 CA GLY A 8 14.043 -6.896 1.556 1.00 0.00 C ATOM 68 C GLY A 8 13.224 -5.605 1.495 1.00 0.00 C ATOM 69 O GLY A 8 13.357 -4.740 2.360 1.00 0.00 O ATOM 0 H GLY A 8 12.333 -7.811 0.762 1.00 0.00 H new ATOM 0 HA2 GLY A 8 14.433 -7.036 2.564 1.00 0.00 H new ATOM 0 HA3 GLY A 8 14.902 -6.818 0.890 1.00 0.00 H new ATOM 73 N THR A 9 12.396 -5.515 0.466 1.00 0.00 N ATOM 74 CA THR A 9 11.555 -4.344 0.281 1.00 0.00 C ATOM 75 C THR A 9 10.267 -4.722 -0.452 1.00 0.00 C ATOM 76 O THR A 9 10.130 -5.845 -0.935 1.00 0.00 O ATOM 77 CB THR A 9 12.380 -3.281 -0.448 1.00 0.00 C ATOM 78 OG1 THR A 9 13.065 -4.008 -1.463 1.00 0.00 O ATOM 79 CG2 THR A 9 13.501 -2.710 0.423 1.00 0.00 C ATOM 0 H THR A 9 12.289 -6.234 -0.249 1.00 0.00 H new ATOM 0 HA THR A 9 11.237 -3.930 1.238 1.00 0.00 H new ATOM 0 HB THR A 9 11.724 -2.472 -0.771 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.623 -3.394 -1.985 1.00 0.00 H new ATOM 0 HG21 THR A 9 14.055 -1.961 -0.142 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.072 -2.249 1.313 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.176 -3.513 0.720 1.00 0.00 H new ATOM 87 N VAL A 10 9.355 -3.763 -0.511 1.00 0.00 N ATOM 88 CA VAL A 10 8.082 -3.981 -1.178 1.00 0.00 C ATOM 89 C VAL A 10 7.708 -2.731 -1.977 1.00 0.00 C ATOM 90 O VAL A 10 8.067 -1.617 -1.598 1.00 0.00 O ATOM 91 CB VAL A 10 7.016 -4.376 -0.153 1.00 0.00 C ATOM 92 CG1 VAL A 10 5.609 -4.173 -0.719 1.00 0.00 C ATOM 93 CG2 VAL A 10 7.215 -5.818 0.317 1.00 0.00 C ATOM 0 H VAL A 10 9.472 -2.833 -0.108 1.00 0.00 H new ATOM 0 HA VAL A 10 8.158 -4.807 -1.885 1.00 0.00 H new ATOM 0 HB VAL A 10 7.126 -3.723 0.713 1.00 0.00 H new ATOM 0 HG11 VAL A 10 4.871 -4.461 0.029 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.470 -3.124 -0.981 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.483 -4.789 -1.609 1.00 0.00 H new ATOM 0 HG21 VAL A 10 6.445 -6.073 1.045 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.145 -6.492 -0.537 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.197 -5.918 0.779 1.00 0.00 H new ATOM 103 N LYS A 11 6.993 -2.958 -3.069 1.00 0.00 N ATOM 104 CA LYS A 11 6.567 -1.864 -3.925 1.00 0.00 C ATOM 105 C LYS A 11 5.217 -1.335 -3.436 1.00 0.00 C ATOM 106 O LYS A 11 4.271 -2.102 -3.265 1.00 0.00 O ATOM 107 CB LYS A 11 6.561 -2.302 -5.391 1.00 0.00 C ATOM 108 CG LYS A 11 7.987 -2.471 -5.918 1.00 0.00 C ATOM 109 CD LYS A 11 8.094 -3.697 -6.827 1.00 0.00 C ATOM 110 CE LYS A 11 8.758 -4.865 -6.095 1.00 0.00 C ATOM 111 NZ LYS A 11 8.507 -6.136 -6.812 1.00 0.00 N ATOM 0 H LYS A 11 6.698 -3.883 -3.381 1.00 0.00 H new ATOM 0 HA LYS A 11 7.274 -1.037 -3.866 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.019 -3.242 -5.491 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.032 -1.563 -5.993 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.283 -1.578 -6.469 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.678 -2.573 -5.081 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.100 -3.992 -7.164 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.671 -3.445 -7.717 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.831 -4.690 -6.017 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.371 -4.932 -5.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.964 -6.918 -6.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.483 -6.309 -6.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.897 -6.075 -7.774 1.00 0.00 H new ATOM 125 N VAL A 12 5.171 -0.028 -3.224 1.00 0.00 N ATOM 126 CA VAL A 12 3.953 0.613 -2.758 1.00 0.00 C ATOM 127 C VAL A 12 3.425 1.548 -3.847 1.00 0.00 C ATOM 128 O VAL A 12 4.010 2.599 -4.105 1.00 0.00 O ATOM 129 CB VAL A 12 4.213 1.328 -1.430 1.00 0.00 C ATOM 130 CG1 VAL A 12 3.068 2.283 -1.089 1.00 0.00 C ATOM 131 CG2 VAL A 12 4.443 0.321 -0.301 1.00 0.00 C ATOM 0 H VAL A 12 5.958 0.605 -3.366 1.00 0.00 H new ATOM 0 HA VAL A 12 3.180 -0.131 -2.565 1.00 0.00 H new ATOM 0 HB VAL A 12 5.121 1.920 -1.540 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.277 2.778 -0.141 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.972 3.031 -1.876 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.138 1.721 -1.007 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.625 0.855 0.631 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.561 -0.310 -0.191 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.307 -0.300 -0.538 1.00 0.00 H new ATOM 141 N TYR A 13 2.325 1.132 -4.457 1.00 0.00 N ATOM 142 CA TYR A 13 1.711 1.919 -5.513 1.00 0.00 C ATOM 143 C TYR A 13 0.813 3.012 -4.930 1.00 0.00 C ATOM 144 O TYR A 13 -0.186 2.717 -4.276 1.00 0.00 O ATOM 145 CB TYR A 13 0.851 0.945 -6.320 1.00 0.00 C ATOM 146 CG TYR A 13 1.633 0.133 -7.354 1.00 0.00 C ATOM 147 CD1 TYR A 13 2.403 0.779 -8.300 1.00 0.00 C ATOM 148 CD2 TYR A 13 1.569 -1.246 -7.340 1.00 0.00 C ATOM 149 CE1 TYR A 13 3.139 0.014 -9.273 1.00 0.00 C ATOM 150 CE2 TYR A 13 2.306 -2.010 -8.313 1.00 0.00 C ATOM 151 CZ TYR A 13 3.054 -1.343 -9.231 1.00 0.00 C ATOM 152 OH TYR A 13 3.750 -2.065 -10.150 1.00 0.00 O ATOM 0 H TYR A 13 1.843 0.260 -4.240 1.00 0.00 H new ATOM 0 HA TYR A 13 2.473 2.406 -6.122 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.356 0.259 -5.633 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.068 1.505 -6.830 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.453 1.858 -8.310 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.967 -1.751 -6.600 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.745 0.507 -10.019 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.265 -3.089 -8.313 1.00 0.00 H new ATOM 0 HH TYR A 13 3.596 -3.021 -9.999 1.00 0.00 H new ATOM 162 N LEU A 14 1.201 4.253 -5.188 1.00 0.00 N ATOM 163 CA LEU A 14 0.444 5.391 -4.698 1.00 0.00 C ATOM 164 C LEU A 14 -0.612 5.781 -5.734 1.00 0.00 C ATOM 165 O LEU A 14 -0.480 5.454 -6.913 1.00 0.00 O ATOM 166 CB LEU A 14 1.384 6.537 -4.318 1.00 0.00 C ATOM 167 CG LEU A 14 1.963 6.488 -2.902 1.00 0.00 C ATOM 168 CD1 LEU A 14 3.221 7.352 -2.795 1.00 0.00 C ATOM 169 CD2 LEU A 14 0.909 6.878 -1.865 1.00 0.00 C ATOM 0 H LEU A 14 2.030 4.494 -5.730 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.088 5.128 -3.783 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.212 6.552 -5.027 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.845 7.477 -4.437 1.00 0.00 H new ATOM 0 HG LEU A 14 2.259 5.461 -2.688 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.613 7.300 -1.779 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.974 6.987 -3.493 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.974 8.386 -3.036 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.347 6.835 -0.868 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.560 7.891 -2.065 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.068 6.186 -1.923 1.00 0.00 H new ATOM 181 N PRO A 15 -1.664 6.491 -5.244 1.00 0.00 N ATOM 182 CA PRO A 15 -2.742 6.928 -6.115 1.00 0.00 C ATOM 183 C PRO A 15 -2.302 8.110 -6.981 1.00 0.00 C ATOM 184 O PRO A 15 -2.736 9.240 -6.762 1.00 0.00 O ATOM 185 CB PRO A 15 -3.888 7.273 -5.178 1.00 0.00 C ATOM 186 CG PRO A 15 -3.263 7.460 -3.805 1.00 0.00 C ATOM 187 CD PRO A 15 -1.853 6.895 -3.854 1.00 0.00 C ATOM 0 HA PRO A 15 -3.044 6.161 -6.828 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.397 8.181 -5.502 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.633 6.477 -5.163 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.242 8.516 -3.536 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.853 6.949 -3.044 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.117 7.641 -3.555 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.742 6.048 -3.177 1.00 0.00 H new ATOM 195 N ASN A 16 -1.446 7.809 -7.947 1.00 0.00 N ATOM 196 CA ASN A 16 -0.943 8.832 -8.847 1.00 0.00 C ATOM 197 C ASN A 16 0.058 8.203 -9.819 1.00 0.00 C ATOM 198 O ASN A 16 1.074 8.812 -10.149 1.00 0.00 O ATOM 199 CB ASN A 16 -0.221 9.938 -8.075 1.00 0.00 C ATOM 200 CG ASN A 16 -0.543 11.315 -8.660 1.00 0.00 C ATOM 201 OD1 ASN A 16 0.258 11.929 -9.346 1.00 0.00 O ATOM 202 ND2 ASN A 16 -1.756 11.764 -8.351 1.00 0.00 N ATOM 0 H ASN A 16 -1.088 6.871 -8.126 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.792 9.259 -9.380 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.516 9.906 -7.026 1.00 0.00 H new ATOM 0 HB3 ASN A 16 0.855 9.767 -8.109 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.066 12.674 -8.693 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -2.377 11.199 -7.772 1.00 0.00 H new ATOM 209 N LYS A 17 -0.265 6.993 -10.249 1.00 0.00 N ATOM 210 CA LYS A 17 0.593 6.275 -11.177 1.00 0.00 C ATOM 211 C LYS A 17 2.028 6.284 -10.648 1.00 0.00 C ATOM 212 O LYS A 17 2.977 6.125 -11.414 1.00 0.00 O ATOM 213 CB LYS A 17 0.454 6.848 -12.588 1.00 0.00 C ATOM 214 CG LYS A 17 -0.796 6.300 -13.282 1.00 0.00 C ATOM 215 CD LYS A 17 -0.732 6.536 -14.792 1.00 0.00 C ATOM 216 CE LYS A 17 -0.700 5.209 -15.553 1.00 0.00 C ATOM 217 NZ LYS A 17 -0.887 5.439 -17.003 1.00 0.00 N ATOM 0 H LYS A 17 -1.109 6.491 -9.972 1.00 0.00 H new ATOM 0 HA LYS A 17 0.286 5.232 -11.251 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.400 7.936 -12.539 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.339 6.599 -13.174 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.890 5.233 -13.081 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.684 6.781 -12.872 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.595 7.121 -15.109 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.155 7.120 -15.035 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.251 4.706 -15.378 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.483 4.550 -15.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.863 4.528 -17.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.805 5.900 -17.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.125 6.051 -17.359 1.00 0.00 H new ATOM 231 N GLN A 18 2.143 6.471 -9.341 1.00 0.00 N ATOM 232 CA GLN A 18 3.446 6.503 -8.701 1.00 0.00 C ATOM 233 C GLN A 18 3.625 5.280 -7.798 1.00 0.00 C ATOM 234 O GLN A 18 2.647 4.639 -7.416 1.00 0.00 O ATOM 235 CB GLN A 18 3.639 7.799 -7.912 1.00 0.00 C ATOM 236 CG GLN A 18 4.085 8.939 -8.830 1.00 0.00 C ATOM 237 CD GLN A 18 5.056 9.876 -8.109 1.00 0.00 C ATOM 238 OE1 GLN A 18 4.705 10.961 -7.674 1.00 0.00 O ATOM 239 NE2 GLN A 18 6.293 9.398 -8.006 1.00 0.00 N ATOM 0 H GLN A 18 1.354 6.602 -8.708 1.00 0.00 H new ATOM 0 HA GLN A 18 4.210 6.472 -9.478 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.706 8.070 -7.417 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.382 7.645 -7.130 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.563 8.529 -9.719 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.214 9.501 -9.167 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.519 8.482 -8.392 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.015 9.948 -7.541 1.00 0.00 H new ATOM 248 N ARG A 19 4.880 4.994 -7.484 1.00 0.00 N ATOM 249 CA ARG A 19 5.198 3.860 -6.634 1.00 0.00 C ATOM 250 C ARG A 19 6.441 4.159 -5.793 1.00 0.00 C ATOM 251 O ARG A 19 7.310 4.921 -6.213 1.00 0.00 O ATOM 252 CB ARG A 19 5.445 2.600 -7.466 1.00 0.00 C ATOM 253 CG ARG A 19 6.509 2.850 -8.537 1.00 0.00 C ATOM 254 CD ARG A 19 5.905 2.766 -9.940 1.00 0.00 C ATOM 255 NE ARG A 19 6.926 3.115 -10.953 1.00 0.00 N ATOM 256 CZ ARG A 19 7.344 4.364 -11.198 1.00 0.00 C ATOM 257 NH1 ARG A 19 6.832 5.391 -10.505 1.00 0.00 N ATOM 258 NH2 ARG A 19 8.275 4.587 -12.135 1.00 0.00 N ATOM 0 H ARG A 19 5.688 5.528 -7.803 1.00 0.00 H new ATOM 0 HA ARG A 19 4.344 3.687 -5.979 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.764 1.786 -6.814 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.515 2.284 -7.939 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.956 3.833 -8.388 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.310 2.117 -8.437 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.529 1.760 -10.123 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.055 3.444 -10.020 1.00 0.00 H new ATOM 0 HE ARG A 19 7.337 2.357 -11.499 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.124 5.222 -9.791 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.151 6.342 -10.692 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.666 3.806 -12.662 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.593 5.538 -12.322 1.00 0.00 H new ATOM 272 N THR A 20 6.485 3.544 -4.620 1.00 0.00 N ATOM 273 CA THR A 20 7.607 3.736 -3.717 1.00 0.00 C ATOM 274 C THR A 20 7.968 2.418 -3.029 1.00 0.00 C ATOM 275 O THR A 20 7.093 1.715 -2.526 1.00 0.00 O ATOM 276 CB THR A 20 7.239 4.852 -2.737 1.00 0.00 C ATOM 277 OG1 THR A 20 8.493 5.281 -2.214 1.00 0.00 O ATOM 278 CG2 THR A 20 6.484 4.331 -1.512 1.00 0.00 C ATOM 0 H THR A 20 5.762 2.913 -4.274 1.00 0.00 H new ATOM 0 HA THR A 20 8.503 4.041 -4.258 1.00 0.00 H new ATOM 0 HB THR A 20 6.630 5.598 -3.248 1.00 0.00 H new ATOM 0 HG1 THR A 20 8.348 6.006 -1.570 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.247 5.163 -0.849 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.561 3.848 -1.832 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.106 3.610 -0.981 1.00 0.00 H new ATOM 286 N VAL A 21 9.260 2.122 -3.029 1.00 0.00 N ATOM 287 CA VAL A 21 9.748 0.901 -2.411 1.00 0.00 C ATOM 288 C VAL A 21 9.962 1.141 -0.916 1.00 0.00 C ATOM 289 O VAL A 21 10.682 2.060 -0.528 1.00 0.00 O ATOM 290 CB VAL A 21 11.013 0.422 -3.127 1.00 0.00 C ATOM 291 CG1 VAL A 21 11.176 -1.094 -2.996 1.00 0.00 C ATOM 292 CG2 VAL A 21 11.005 0.847 -4.597 1.00 0.00 C ATOM 0 H VAL A 21 9.983 2.707 -3.447 1.00 0.00 H new ATOM 0 HA VAL A 21 9.012 0.103 -2.510 1.00 0.00 H new ATOM 0 HB VAL A 21 11.870 0.894 -2.646 1.00 0.00 H new ATOM 0 HG11 VAL A 21 12.082 -1.409 -3.513 1.00 0.00 H new ATOM 0 HG12 VAL A 21 11.248 -1.362 -1.942 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.314 -1.592 -3.439 1.00 0.00 H new ATOM 0 HG21 VAL A 21 11.915 0.494 -5.083 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.137 0.416 -5.096 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.958 1.934 -4.661 1.00 0.00 H new ATOM 302 N VAL A 22 9.324 0.299 -0.116 1.00 0.00 N ATOM 303 CA VAL A 22 9.436 0.409 1.328 1.00 0.00 C ATOM 304 C VAL A 22 10.141 -0.833 1.877 1.00 0.00 C ATOM 305 O VAL A 22 10.190 -1.867 1.213 1.00 0.00 O ATOM 306 CB VAL A 22 8.054 0.633 1.945 1.00 0.00 C ATOM 307 CG1 VAL A 22 8.155 0.845 3.457 1.00 0.00 C ATOM 308 CG2 VAL A 22 7.337 1.806 1.273 1.00 0.00 C ATOM 0 H VAL A 22 8.728 -0.462 -0.441 1.00 0.00 H new ATOM 0 HA VAL A 22 10.042 1.274 1.599 1.00 0.00 H new ATOM 0 HB VAL A 22 7.461 -0.265 1.772 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.158 1.002 3.870 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.605 -0.034 3.918 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.774 1.719 3.661 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.357 1.944 1.730 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.927 2.714 1.399 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.215 1.597 0.210 1.00 0.00 H new ATOM 318 N THR A 23 10.670 -0.690 3.083 1.00 0.00 N ATOM 319 CA THR A 23 11.370 -1.788 3.729 1.00 0.00 C ATOM 320 C THR A 23 10.374 -2.723 4.418 1.00 0.00 C ATOM 321 O THR A 23 9.357 -2.274 4.944 1.00 0.00 O ATOM 322 CB THR A 23 12.406 -1.192 4.684 1.00 0.00 C ATOM 323 OG1 THR A 23 13.284 -0.463 3.831 1.00 0.00 O ATOM 324 CG2 THR A 23 13.301 -2.259 5.317 1.00 0.00 C ATOM 0 H THR A 23 10.628 0.170 3.630 1.00 0.00 H new ATOM 0 HA THR A 23 11.896 -2.405 3.001 1.00 0.00 H new ATOM 0 HB THR A 23 11.897 -0.633 5.470 1.00 0.00 H new ATOM 0 HG1 THR A 23 13.987 -0.042 4.368 1.00 0.00 H new ATOM 0 HG21 THR A 23 14.018 -1.783 5.986 1.00 0.00 H new ATOM 0 HG22 THR A 23 12.687 -2.960 5.883 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.836 -2.796 4.534 1.00 0.00 H new ATOM 332 N VAL A 24 10.703 -4.007 4.394 1.00 0.00 N ATOM 333 CA VAL A 24 9.850 -5.009 5.011 1.00 0.00 C ATOM 334 C VAL A 24 10.145 -5.070 6.511 1.00 0.00 C ATOM 335 O VAL A 24 11.207 -5.537 6.920 1.00 0.00 O ATOM 336 CB VAL A 24 10.036 -6.356 4.310 1.00 0.00 C ATOM 337 CG1 VAL A 24 8.864 -7.294 4.607 1.00 0.00 C ATOM 338 CG2 VAL A 24 10.221 -6.170 2.803 1.00 0.00 C ATOM 0 H VAL A 24 11.548 -4.376 3.957 1.00 0.00 H new ATOM 0 HA VAL A 24 8.800 -4.740 4.897 1.00 0.00 H new ATOM 0 HB VAL A 24 10.942 -6.816 4.704 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.020 -8.245 4.097 1.00 0.00 H new ATOM 0 HG12 VAL A 24 8.798 -7.465 5.681 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.937 -6.841 4.254 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.351 -7.143 2.330 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.342 -5.678 2.386 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.102 -5.556 2.618 1.00 0.00 H new ATOM 348 N ARG A 25 9.186 -4.592 7.290 1.00 0.00 N ATOM 349 CA ARG A 25 9.330 -4.586 8.736 1.00 0.00 C ATOM 350 C ARG A 25 8.459 -5.678 9.360 1.00 0.00 C ATOM 351 O ARG A 25 7.508 -6.150 8.738 1.00 0.00 O ATOM 352 CB ARG A 25 8.934 -3.230 9.323 1.00 0.00 C ATOM 353 CG ARG A 25 9.991 -2.168 9.013 1.00 0.00 C ATOM 354 CD ARG A 25 10.829 -1.850 10.252 1.00 0.00 C ATOM 355 NE ARG A 25 12.190 -1.431 9.849 1.00 0.00 N ATOM 356 CZ ARG A 25 13.143 -1.046 10.709 1.00 0.00 C ATOM 357 NH1 ARG A 25 12.890 -1.025 12.024 1.00 0.00 N ATOM 358 NH2 ARG A 25 14.350 -0.682 10.253 1.00 0.00 N ATOM 0 H ARG A 25 8.306 -4.206 6.947 1.00 0.00 H new ATOM 0 HA ARG A 25 10.378 -4.776 8.966 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.972 -2.920 8.915 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.809 -3.319 10.402 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.640 -2.519 8.211 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.505 -1.260 8.655 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.352 -1.058 10.830 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.886 -2.726 10.898 1.00 0.00 H new ATOM 0 HE ARG A 25 12.417 -1.436 8.855 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.972 -1.302 12.371 1.00 0.00 H new ATOM 0 HH12 ARG A 25 13.616 -0.732 12.678 1.00 0.00 H new ATOM 0 HH21 ARG A 25 14.543 -0.698 9.252 1.00 0.00 H new ATOM 0 HH22 ARG A 25 15.075 -0.389 10.908 1.00 0.00 H new ATOM 372 N ASP A 26 8.814 -6.047 10.582 1.00 0.00 N ATOM 373 CA ASP A 26 8.076 -7.075 11.297 1.00 0.00 C ATOM 374 C ASP A 26 7.859 -6.627 12.744 1.00 0.00 C ATOM 375 O ASP A 26 8.022 -7.417 13.673 1.00 0.00 O ATOM 376 CB ASP A 26 8.852 -8.393 11.321 1.00 0.00 C ATOM 377 CG ASP A 26 9.190 -8.970 9.945 1.00 0.00 C ATOM 378 OD1 ASP A 26 8.262 -9.029 9.111 1.00 0.00 O ATOM 379 OD2 ASP A 26 10.370 -9.340 9.759 1.00 0.00 O ATOM 0 H ASP A 26 9.603 -5.653 11.095 1.00 0.00 H new ATOM 0 HA ASP A 26 7.125 -7.226 10.786 1.00 0.00 H new ATOM 0 HB2 ASP A 26 9.780 -8.241 11.872 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.270 -9.130 11.874 1.00 0.00 H new ATOM 384 N GLY A 27 7.494 -5.362 12.889 1.00 0.00 N ATOM 385 CA GLY A 27 7.253 -4.800 14.207 1.00 0.00 C ATOM 386 C GLY A 27 6.554 -3.443 14.105 1.00 0.00 C ATOM 387 O GLY A 27 6.897 -2.508 14.827 1.00 0.00 O ATOM 0 H GLY A 27 7.359 -4.710 12.116 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.640 -5.486 14.792 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.199 -4.687 14.737 1.00 0.00 H new ATOM 391 N MET A 28 5.586 -3.378 13.202 1.00 0.00 N ATOM 392 CA MET A 28 4.836 -2.151 12.996 1.00 0.00 C ATOM 393 C MET A 28 3.557 -2.417 12.200 1.00 0.00 C ATOM 394 O MET A 28 3.453 -3.427 11.505 1.00 0.00 O ATOM 395 CB MET A 28 5.705 -1.141 12.243 1.00 0.00 C ATOM 396 CG MET A 28 6.051 -1.652 10.843 1.00 0.00 C ATOM 397 SD MET A 28 7.470 -0.777 10.207 1.00 0.00 S ATOM 398 CE MET A 28 6.677 0.705 9.606 1.00 0.00 C ATOM 0 H MET A 28 5.304 -4.155 12.605 1.00 0.00 H new ATOM 0 HA MET A 28 4.558 -1.750 13.971 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.180 -0.189 12.167 1.00 0.00 H new ATOM 0 HB3 MET A 28 6.621 -0.955 12.803 1.00 0.00 H new ATOM 0 HG2 MET A 28 6.259 -2.721 10.878 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.200 -1.515 10.176 1.00 0.00 H new ATOM 0 HE1 MET A 28 6.954 0.869 8.565 1.00 0.00 H new ATOM 0 HE2 MET A 28 5.595 0.595 9.681 1.00 0.00 H new ATOM 0 HE3 MET A 28 6.997 1.557 10.205 1.00 0.00 H new ATOM 408 N SER A 29 2.615 -1.494 12.329 1.00 0.00 N ATOM 409 CA SER A 29 1.346 -1.617 11.630 1.00 0.00 C ATOM 410 C SER A 29 1.508 -1.180 10.173 1.00 0.00 C ATOM 411 O SER A 29 2.585 -0.748 9.766 1.00 0.00 O ATOM 412 CB SER A 29 0.258 -0.789 12.315 1.00 0.00 C ATOM 413 OG SER A 29 0.287 -0.937 13.732 1.00 0.00 O ATOM 0 H SER A 29 2.705 -0.658 12.907 1.00 0.00 H new ATOM 0 HA SER A 29 1.040 -2.663 11.657 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.387 0.262 12.058 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.719 -1.092 11.939 1.00 0.00 H new ATOM 0 HG SER A 29 -0.422 -0.391 14.132 1.00 0.00 H new ATOM 419 N VAL A 30 0.420 -1.307 9.426 1.00 0.00 N ATOM 420 CA VAL A 30 0.427 -0.931 8.023 1.00 0.00 C ATOM 421 C VAL A 30 0.298 0.589 7.907 1.00 0.00 C ATOM 422 O VAL A 30 0.844 1.193 6.984 1.00 0.00 O ATOM 423 CB VAL A 30 -0.674 -1.683 7.274 1.00 0.00 C ATOM 424 CG1 VAL A 30 -0.932 -1.056 5.902 1.00 0.00 C ATOM 425 CG2 VAL A 30 -0.331 -3.168 7.141 1.00 0.00 C ATOM 0 H VAL A 30 -0.472 -1.665 9.767 1.00 0.00 H new ATOM 0 HA VAL A 30 1.370 -1.214 7.556 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.591 -1.601 7.858 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.719 -1.610 5.391 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.242 -0.019 6.028 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.019 -1.092 5.308 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.130 -3.679 6.605 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.603 -3.278 6.591 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.221 -3.606 8.133 1.00 0.00 H new ATOM 435 N TYR A 31 -0.426 1.164 8.855 1.00 0.00 N ATOM 436 CA TYR A 31 -0.633 2.602 8.871 1.00 0.00 C ATOM 437 C TYR A 31 0.698 3.347 8.994 1.00 0.00 C ATOM 438 O TYR A 31 1.004 4.217 8.180 1.00 0.00 O ATOM 439 CB TYR A 31 -1.483 2.893 10.109 1.00 0.00 C ATOM 440 CG TYR A 31 -1.558 4.375 10.479 1.00 0.00 C ATOM 441 CD1 TYR A 31 -0.523 4.965 11.177 1.00 0.00 C ATOM 442 CD2 TYR A 31 -2.659 5.123 10.116 1.00 0.00 C ATOM 443 CE1 TYR A 31 -0.593 6.361 11.525 1.00 0.00 C ATOM 444 CE2 TYR A 31 -2.729 6.518 10.464 1.00 0.00 C ATOM 445 CZ TYR A 31 -1.693 7.068 11.152 1.00 0.00 C ATOM 446 OH TYR A 31 -1.759 8.386 11.481 1.00 0.00 O ATOM 0 H TYR A 31 -0.877 0.660 9.618 1.00 0.00 H new ATOM 0 HA TYR A 31 -1.112 2.930 7.949 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.493 2.520 9.939 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -1.076 2.338 10.955 1.00 0.00 H new ATOM 0 HD1 TYR A 31 0.339 4.380 11.462 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -3.469 4.662 9.570 1.00 0.00 H new ATOM 0 HE1 TYR A 31 0.210 6.835 12.070 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -3.585 7.114 10.185 1.00 0.00 H new ATOM 0 HH TYR A 31 -2.600 8.764 11.150 1.00 0.00 H new ATOM 456 N ASP A 32 1.453 2.978 10.019 1.00 0.00 N ATOM 457 CA ASP A 32 2.743 3.600 10.259 1.00 0.00 C ATOM 458 C ASP A 32 3.674 3.307 9.081 1.00 0.00 C ATOM 459 O ASP A 32 4.617 4.055 8.829 1.00 0.00 O ATOM 460 CB ASP A 32 3.396 3.043 11.526 1.00 0.00 C ATOM 461 CG ASP A 32 2.572 3.211 12.805 1.00 0.00 C ATOM 462 OD1 ASP A 32 2.541 4.352 13.314 1.00 0.00 O ATOM 463 OD2 ASP A 32 1.993 2.194 13.244 1.00 0.00 O ATOM 0 H ASP A 32 1.195 2.256 10.692 1.00 0.00 H new ATOM 0 HA ASP A 32 2.583 4.672 10.376 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.596 1.982 11.377 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.360 3.533 11.666 1.00 0.00 H new ATOM 468 N SER A 33 3.375 2.217 8.390 1.00 0.00 N ATOM 469 CA SER A 33 4.173 1.815 7.243 1.00 0.00 C ATOM 470 C SER A 33 3.804 2.665 6.026 1.00 0.00 C ATOM 471 O SER A 33 4.643 3.388 5.491 1.00 0.00 O ATOM 472 CB SER A 33 3.982 0.330 6.932 1.00 0.00 C ATOM 473 OG SER A 33 5.064 -0.461 7.416 1.00 0.00 O ATOM 0 H SER A 33 2.591 1.599 8.602 1.00 0.00 H new ATOM 0 HA SER A 33 5.224 1.975 7.484 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.051 -0.017 7.380 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.888 0.195 5.855 1.00 0.00 H new ATOM 0 HG SER A 33 5.874 -0.256 6.904 1.00 0.00 H new ATOM 479 N LEU A 34 2.547 2.549 5.622 1.00 0.00 N ATOM 480 CA LEU A 34 2.056 3.297 4.478 1.00 0.00 C ATOM 481 C LEU A 34 1.917 4.772 4.859 1.00 0.00 C ATOM 482 O LEU A 34 1.619 5.611 4.011 1.00 0.00 O ATOM 483 CB LEU A 34 0.764 2.675 3.945 1.00 0.00 C ATOM 484 CG LEU A 34 0.930 1.606 2.864 1.00 0.00 C ATOM 485 CD1 LEU A 34 1.639 2.175 1.634 1.00 0.00 C ATOM 486 CD2 LEU A 34 1.645 0.372 3.418 1.00 0.00 C ATOM 0 H LEU A 34 1.854 1.948 6.067 1.00 0.00 H new ATOM 0 HA LEU A 34 2.770 3.246 3.656 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.224 2.235 4.783 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.138 3.473 3.546 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.062 1.287 2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.744 1.394 0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.053 2.998 1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.626 2.539 1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.750 -0.373 2.629 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.632 0.656 3.782 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.063 -0.048 4.238 1.00 0.00 H new ATOM 498 N ASP A 35 2.140 5.043 6.137 1.00 0.00 N ATOM 499 CA ASP A 35 2.043 6.402 6.642 1.00 0.00 C ATOM 500 C ASP A 35 2.773 7.349 5.686 1.00 0.00 C ATOM 501 O ASP A 35 2.157 8.232 5.092 1.00 0.00 O ATOM 502 CB ASP A 35 2.696 6.526 8.020 1.00 0.00 C ATOM 503 CG ASP A 35 2.996 7.958 8.467 1.00 0.00 C ATOM 504 OD1 ASP A 35 4.105 8.433 8.141 1.00 0.00 O ATOM 505 OD2 ASP A 35 2.110 8.544 9.125 1.00 0.00 O ATOM 0 H ASP A 35 2.388 4.344 6.838 1.00 0.00 H new ATOM 0 HA ASP A 35 0.986 6.659 6.720 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.043 6.060 8.758 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.627 5.960 8.016 1.00 0.00 H new ATOM 510 N LYS A 36 4.075 7.133 5.569 1.00 0.00 N ATOM 511 CA LYS A 36 4.894 7.956 4.696 1.00 0.00 C ATOM 512 C LYS A 36 4.305 7.939 3.285 1.00 0.00 C ATOM 513 O LYS A 36 4.033 8.992 2.709 1.00 0.00 O ATOM 514 CB LYS A 36 6.357 7.510 4.757 1.00 0.00 C ATOM 515 CG LYS A 36 7.298 8.716 4.766 1.00 0.00 C ATOM 516 CD LYS A 36 8.355 8.594 3.666 1.00 0.00 C ATOM 517 CE LYS A 36 8.141 9.650 2.580 1.00 0.00 C ATOM 518 NZ LYS A 36 8.695 10.954 3.007 1.00 0.00 N ATOM 0 H LYS A 36 4.583 6.400 6.064 1.00 0.00 H new ATOM 0 HA LYS A 36 4.886 8.993 5.032 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.521 6.910 5.652 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.583 6.874 3.901 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.724 9.631 4.624 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.786 8.794 5.737 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.349 8.708 4.098 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.312 7.599 3.224 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.620 9.330 1.655 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.077 9.752 2.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.541 11.659 2.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.219 11.265 3.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.715 10.856 3.186 1.00 0.00 H new ATOM 532 N ALA A 37 4.124 6.733 2.767 1.00 0.00 N ATOM 533 CA ALA A 37 3.571 6.566 1.434 1.00 0.00 C ATOM 534 C ALA A 37 2.449 7.583 1.221 1.00 0.00 C ATOM 535 O ALA A 37 2.221 8.035 0.100 1.00 0.00 O ATOM 536 CB ALA A 37 3.093 5.123 1.257 1.00 0.00 C ATOM 0 H ALA A 37 4.351 5.862 3.247 1.00 0.00 H new ATOM 0 HA ALA A 37 4.332 6.752 0.676 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.678 4.997 0.257 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.934 4.442 1.389 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.326 4.900 1.999 1.00 0.00 H new ATOM 542 N LEU A 38 1.777 7.913 2.314 1.00 0.00 N ATOM 543 CA LEU A 38 0.683 8.868 2.260 1.00 0.00 C ATOM 544 C LEU A 38 1.230 10.276 2.506 1.00 0.00 C ATOM 545 O LEU A 38 0.981 11.188 1.720 1.00 0.00 O ATOM 546 CB LEU A 38 -0.430 8.463 3.228 1.00 0.00 C ATOM 547 CG LEU A 38 -1.082 7.103 2.969 1.00 0.00 C ATOM 548 CD1 LEU A 38 -2.323 6.915 3.843 1.00 0.00 C ATOM 549 CD2 LEU A 38 -1.394 6.919 1.482 1.00 0.00 C ATOM 0 H LEU A 38 1.969 7.536 3.242 1.00 0.00 H new ATOM 0 HA LEU A 38 0.227 8.870 1.270 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.023 8.462 4.239 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.206 9.228 3.198 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.372 6.325 3.247 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.767 5.941 3.639 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.040 6.972 4.894 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.048 7.698 3.619 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.857 5.945 1.325 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.077 7.702 1.154 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.470 6.979 0.906 1.00 0.00 H new ATOM 561 N LYS A 39 1.963 10.409 3.601 1.00 0.00 N ATOM 562 CA LYS A 39 2.547 11.690 3.961 1.00 0.00 C ATOM 563 C LYS A 39 3.096 12.366 2.703 1.00 0.00 C ATOM 564 O LYS A 39 2.813 13.536 2.450 1.00 0.00 O ATOM 565 CB LYS A 39 3.588 11.513 5.068 1.00 0.00 C ATOM 566 CG LYS A 39 2.958 10.897 6.319 1.00 0.00 C ATOM 567 CD LYS A 39 2.635 11.974 7.357 1.00 0.00 C ATOM 568 CE LYS A 39 1.123 12.165 7.496 1.00 0.00 C ATOM 569 NZ LYS A 39 0.808 13.565 7.859 1.00 0.00 N ATOM 0 H LYS A 39 2.166 9.650 4.252 1.00 0.00 H new ATOM 0 HA LYS A 39 1.787 12.353 4.374 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.397 10.875 4.712 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.028 12.479 5.316 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.047 10.364 6.047 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.639 10.164 6.750 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.060 11.694 8.321 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.099 12.916 7.065 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.630 11.907 6.559 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.734 11.489 8.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.222 13.677 7.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.262 13.799 8.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.162 14.204 7.119 1.00 0.00 H new ATOM 583 N VAL A 40 3.871 11.601 1.949 1.00 0.00 N ATOM 584 CA VAL A 40 4.461 12.112 0.723 1.00 0.00 C ATOM 585 C VAL A 40 3.372 12.765 -0.130 1.00 0.00 C ATOM 586 O VAL A 40 3.566 13.857 -0.661 1.00 0.00 O ATOM 587 CB VAL A 40 5.202 10.990 -0.008 1.00 0.00 C ATOM 588 CG1 VAL A 40 4.264 9.818 -0.305 1.00 0.00 C ATOM 589 CG2 VAL A 40 5.854 11.509 -1.291 1.00 0.00 C ATOM 0 H VAL A 40 4.104 10.631 2.163 1.00 0.00 H new ATOM 0 HA VAL A 40 5.201 12.880 0.947 1.00 0.00 H new ATOM 0 HB VAL A 40 5.994 10.628 0.647 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.815 9.034 -0.825 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.867 9.424 0.630 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.441 10.160 -0.932 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.374 10.692 -1.791 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.086 11.910 -1.953 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.567 12.296 -1.044 1.00 0.00 H new ATOM 599 N ARG A 41 2.250 12.068 -0.234 1.00 0.00 N ATOM 600 CA ARG A 41 1.130 12.566 -1.014 1.00 0.00 C ATOM 601 C ARG A 41 0.134 13.293 -0.107 1.00 0.00 C ATOM 602 O ARG A 41 -1.014 13.512 -0.491 1.00 0.00 O ATOM 603 CB ARG A 41 0.412 11.425 -1.738 1.00 0.00 C ATOM 604 CG ARG A 41 1.365 10.688 -2.680 1.00 0.00 C ATOM 605 CD ARG A 41 0.614 10.125 -3.889 1.00 0.00 C ATOM 606 NE ARG A 41 -0.252 11.170 -4.479 1.00 0.00 N ATOM 607 CZ ARG A 41 0.199 12.179 -5.237 1.00 0.00 C ATOM 608 NH1 ARG A 41 1.508 12.286 -5.500 1.00 0.00 N ATOM 609 NH2 ARG A 41 -0.660 13.082 -5.730 1.00 0.00 N ATOM 0 H ARG A 41 2.093 11.163 0.209 1.00 0.00 H new ATOM 0 HA ARG A 41 1.525 13.260 -1.756 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.004 10.726 -1.008 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.430 11.822 -2.305 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.147 11.368 -3.018 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.858 9.877 -2.143 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.324 9.767 -4.634 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.011 9.269 -3.586 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.254 11.119 -4.297 1.00 0.00 H new ATOM 0 HH11 ARG A 41 2.162 11.599 -5.123 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.851 13.054 -6.077 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.657 13.001 -5.528 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.317 13.850 -6.307 1.00 0.00 H new ATOM 623 N GLY A 42 0.609 13.645 1.078 1.00 0.00 N ATOM 624 CA GLY A 42 -0.225 14.342 2.042 1.00 0.00 C ATOM 625 C GLY A 42 -1.589 13.664 2.178 1.00 0.00 C ATOM 626 O GLY A 42 -2.578 14.312 2.519 1.00 0.00 O ATOM 0 H GLY A 42 1.561 13.461 1.393 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.273 14.363 3.011 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.359 15.378 1.730 1.00 0.00 H new ATOM 630 N LEU A 43 -1.600 12.367 1.904 1.00 0.00 N ATOM 631 CA LEU A 43 -2.827 11.594 1.992 1.00 0.00 C ATOM 632 C LEU A 43 -3.141 11.309 3.462 1.00 0.00 C ATOM 633 O LEU A 43 -2.419 11.755 4.352 1.00 0.00 O ATOM 634 CB LEU A 43 -2.729 10.334 1.129 1.00 0.00 C ATOM 635 CG LEU A 43 -2.771 10.554 -0.385 1.00 0.00 C ATOM 636 CD1 LEU A 43 -2.151 9.369 -1.128 1.00 0.00 C ATOM 637 CD2 LEU A 43 -4.197 10.844 -0.858 1.00 0.00 C ATOM 0 H LEU A 43 -0.779 11.833 1.621 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.666 12.163 1.591 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.800 9.820 1.376 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.546 9.666 1.402 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.169 11.432 -0.619 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.193 9.550 -2.202 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.112 9.250 -0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.705 8.461 -0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.198 10.996 -1.937 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.841 10.001 -0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.569 11.742 -0.364 1.00 0.00 H new ATOM 649 N ASN A 44 -4.220 10.568 3.670 1.00 0.00 N ATOM 650 CA ASN A 44 -4.639 10.219 5.017 1.00 0.00 C ATOM 651 C ASN A 44 -5.000 8.733 5.065 1.00 0.00 C ATOM 652 O ASN A 44 -5.193 8.104 4.026 1.00 0.00 O ATOM 653 CB ASN A 44 -5.874 11.019 5.435 1.00 0.00 C ATOM 654 CG ASN A 44 -5.842 11.336 6.931 1.00 0.00 C ATOM 655 OD1 ASN A 44 -5.372 12.377 7.362 1.00 0.00 O ATOM 656 ND2 ASN A 44 -6.366 10.384 7.697 1.00 0.00 N ATOM 0 H ASN A 44 -4.816 10.200 2.929 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.816 10.446 5.695 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -5.921 11.946 4.864 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -6.775 10.453 5.199 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.392 10.501 8.710 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -6.742 9.537 7.272 1.00 0.00 H new ATOM 663 N GLN A 45 -5.080 8.215 6.282 1.00 0.00 N ATOM 664 CA GLN A 45 -5.414 6.815 6.479 1.00 0.00 C ATOM 665 C GLN A 45 -6.890 6.669 6.855 1.00 0.00 C ATOM 666 O GLN A 45 -7.248 5.803 7.652 1.00 0.00 O ATOM 667 CB GLN A 45 -4.512 6.180 7.539 1.00 0.00 C ATOM 668 CG GLN A 45 -3.078 6.037 7.025 1.00 0.00 C ATOM 669 CD GLN A 45 -2.264 7.299 7.315 1.00 0.00 C ATOM 670 OE1 GLN A 45 -2.728 8.417 7.164 1.00 0.00 O ATOM 671 NE2 GLN A 45 -1.026 7.059 7.739 1.00 0.00 N ATOM 0 H GLN A 45 -4.919 8.740 7.142 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.245 6.286 5.541 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -4.519 6.791 8.441 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -4.903 5.200 7.815 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.603 5.177 7.497 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.090 5.846 5.952 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.700 6.098 7.844 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.403 7.836 7.959 1.00 0.00 H new ATOM 680 N ASP A 46 -7.706 7.530 6.265 1.00 0.00 N ATOM 681 CA ASP A 46 -9.134 7.508 6.528 1.00 0.00 C ATOM 682 C ASP A 46 -9.891 7.395 5.204 1.00 0.00 C ATOM 683 O ASP A 46 -10.781 6.557 5.063 1.00 0.00 O ATOM 684 CB ASP A 46 -9.586 8.795 7.222 1.00 0.00 C ATOM 685 CG ASP A 46 -10.815 8.647 8.122 1.00 0.00 C ATOM 686 OD1 ASP A 46 -11.892 8.341 7.566 1.00 0.00 O ATOM 687 OD2 ASP A 46 -10.649 8.844 9.345 1.00 0.00 O ATOM 0 H ASP A 46 -7.405 8.247 5.605 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.344 6.656 7.174 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.759 9.176 7.821 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.800 9.545 6.460 1.00 0.00 H new ATOM 692 N CYS A 47 -9.510 8.249 4.266 1.00 0.00 N ATOM 693 CA CYS A 47 -10.141 8.255 2.957 1.00 0.00 C ATOM 694 C CYS A 47 -9.187 7.595 1.960 1.00 0.00 C ATOM 695 O CYS A 47 -9.122 7.996 0.799 1.00 0.00 O ATOM 696 CB CYS A 47 -10.531 9.670 2.524 1.00 0.00 C ATOM 697 SG CYS A 47 -12.138 9.635 1.647 1.00 0.00 S ATOM 0 H CYS A 47 -8.772 8.942 4.386 1.00 0.00 H new ATOM 0 HA CYS A 47 -11.071 7.688 2.996 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -10.597 10.321 3.396 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -9.761 10.085 1.874 1.00 0.00 H new ATOM 0 HG CYS A 47 -11.974 9.131 0.460 1.00 0.00 H new ATOM 703 N CYS A 48 -8.469 6.595 2.450 1.00 0.00 N ATOM 704 CA CYS A 48 -7.521 5.876 1.616 1.00 0.00 C ATOM 705 C CYS A 48 -7.594 4.391 1.977 1.00 0.00 C ATOM 706 O CYS A 48 -7.851 4.040 3.127 1.00 0.00 O ATOM 707 CB CYS A 48 -6.103 6.431 1.764 1.00 0.00 C ATOM 708 SG CYS A 48 -6.042 8.159 1.167 1.00 0.00 S ATOM 0 H CYS A 48 -8.525 6.266 3.414 1.00 0.00 H new ATOM 0 HA CYS A 48 -7.783 6.007 0.566 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.794 6.387 2.808 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.402 5.817 1.198 1.00 0.00 H new ATOM 0 HG CYS A 48 -7.208 8.499 0.702 1.00 0.00 H new ATOM 714 N VAL A 49 -7.362 3.558 0.973 1.00 0.00 N ATOM 715 CA VAL A 49 -7.398 2.119 1.170 1.00 0.00 C ATOM 716 C VAL A 49 -6.186 1.484 0.484 1.00 0.00 C ATOM 717 O VAL A 49 -5.727 1.971 -0.548 1.00 0.00 O ATOM 718 CB VAL A 49 -8.730 1.556 0.672 1.00 0.00 C ATOM 719 CG1 VAL A 49 -9.063 2.088 -0.724 1.00 0.00 C ATOM 720 CG2 VAL A 49 -8.718 0.026 0.687 1.00 0.00 C ATOM 0 H VAL A 49 -7.148 3.853 0.020 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.335 1.877 2.231 1.00 0.00 H new ATOM 0 HB VAL A 49 -9.511 1.892 1.354 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -10.015 1.672 -1.054 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -9.134 3.175 -0.692 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.278 1.796 -1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -9.677 -0.349 0.328 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.921 -0.338 0.039 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.548 -0.327 1.704 1.00 0.00 H new ATOM 730 N VAL A 50 -5.703 0.407 1.085 1.00 0.00 N ATOM 731 CA VAL A 50 -4.554 -0.299 0.546 1.00 0.00 C ATOM 732 C VAL A 50 -4.988 -1.691 0.082 1.00 0.00 C ATOM 733 O VAL A 50 -5.592 -2.443 0.845 1.00 0.00 O ATOM 734 CB VAL A 50 -3.429 -0.338 1.582 1.00 0.00 C ATOM 735 CG1 VAL A 50 -2.161 -0.958 0.992 1.00 0.00 C ATOM 736 CG2 VAL A 50 -3.149 1.059 2.139 1.00 0.00 C ATOM 0 H VAL A 50 -6.087 0.006 1.941 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.158 0.225 -0.324 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.756 -0.969 2.408 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.377 -0.973 1.749 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.372 -1.977 0.667 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.830 -0.366 0.139 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.345 1.004 2.873 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.853 1.722 1.326 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.049 1.448 2.615 1.00 0.00 H new ATOM 746 N TYR A 51 -4.663 -1.992 -1.167 1.00 0.00 N ATOM 747 CA TYR A 51 -5.012 -3.281 -1.741 1.00 0.00 C ATOM 748 C TYR A 51 -3.795 -4.206 -1.792 1.00 0.00 C ATOM 749 O TYR A 51 -2.692 -3.770 -2.120 1.00 0.00 O ATOM 750 CB TYR A 51 -5.479 -2.993 -3.169 1.00 0.00 C ATOM 751 CG TYR A 51 -6.371 -1.756 -3.295 1.00 0.00 C ATOM 752 CD1 TYR A 51 -7.318 -1.487 -2.329 1.00 0.00 C ATOM 753 CD2 TYR A 51 -6.228 -0.910 -4.376 1.00 0.00 C ATOM 754 CE1 TYR A 51 -8.157 -0.323 -2.447 1.00 0.00 C ATOM 755 CE2 TYR A 51 -7.067 0.254 -4.495 1.00 0.00 C ATOM 756 CZ TYR A 51 -7.990 0.490 -3.524 1.00 0.00 C ATOM 757 OH TYR A 51 -8.783 1.590 -3.637 1.00 0.00 O ATOM 0 H TYR A 51 -4.162 -1.366 -1.797 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.778 -3.774 -1.142 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -4.605 -2.864 -3.807 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.023 -3.860 -3.544 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -7.430 -2.150 -1.484 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.487 -1.121 -5.133 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.902 -0.101 -1.697 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.966 0.924 -5.336 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.178 1.618 -4.534 1.00 0.00 H new ATOM 767 N ARG A 52 -4.035 -5.466 -1.461 1.00 0.00 N ATOM 768 CA ARG A 52 -2.972 -6.457 -1.465 1.00 0.00 C ATOM 769 C ARG A 52 -3.014 -7.276 -2.757 1.00 0.00 C ATOM 770 O ARG A 52 -4.085 -7.685 -3.202 1.00 0.00 O ATOM 771 CB ARG A 52 -3.094 -7.400 -0.267 1.00 0.00 C ATOM 772 CG ARG A 52 -3.284 -6.615 1.032 1.00 0.00 C ATOM 773 CD ARG A 52 -2.458 -7.224 2.167 1.00 0.00 C ATOM 774 NE ARG A 52 -2.565 -8.700 2.136 1.00 0.00 N ATOM 775 CZ ARG A 52 -3.670 -9.380 2.471 1.00 0.00 C ATOM 776 NH1 ARG A 52 -4.769 -8.722 2.865 1.00 0.00 N ATOM 777 NH2 ARG A 52 -3.676 -10.719 2.412 1.00 0.00 N ATOM 0 H ARG A 52 -4.950 -5.824 -1.188 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.023 -5.925 -1.399 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.937 -8.074 -0.415 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.200 -8.019 -0.194 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.989 -5.577 0.880 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.339 -6.610 1.307 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.414 -6.925 2.069 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.810 -6.846 3.127 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.747 -9.233 1.841 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.765 -7.703 2.910 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.610 -9.240 3.120 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.840 -11.220 2.112 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.517 -11.237 2.667 1.00 0.00 H new ATOM 791 N LEU A 53 -1.835 -7.490 -3.322 1.00 0.00 N ATOM 792 CA LEU A 53 -1.724 -8.253 -4.554 1.00 0.00 C ATOM 793 C LEU A 53 -1.766 -9.747 -4.229 1.00 0.00 C ATOM 794 O LEU A 53 -0.776 -10.314 -3.770 1.00 0.00 O ATOM 795 CB LEU A 53 -0.480 -7.828 -5.336 1.00 0.00 C ATOM 796 CG LEU A 53 -0.704 -6.802 -6.449 1.00 0.00 C ATOM 797 CD1 LEU A 53 -1.206 -7.479 -7.726 1.00 0.00 C ATOM 798 CD2 LEU A 53 -1.643 -5.687 -5.985 1.00 0.00 C ATOM 0 H LEU A 53 -0.949 -7.149 -2.950 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.570 -8.045 -5.209 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.245 -7.418 -4.632 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.030 -8.718 -5.775 1.00 0.00 H new ATOM 0 HG LEU A 53 0.254 -6.339 -6.685 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.357 -6.728 -8.501 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.469 -8.207 -8.065 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.150 -7.985 -7.523 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.786 -4.971 -6.794 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.606 -6.115 -5.705 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.208 -5.179 -5.124 1.00 0.00 H new ATOM 810 N ILE A 54 -2.923 -10.342 -4.480 1.00 0.00 N ATOM 811 CA ILE A 54 -3.107 -11.760 -4.220 1.00 0.00 C ATOM 812 C ILE A 54 -3.593 -12.450 -5.497 1.00 0.00 C ATOM 813 O ILE A 54 -4.790 -12.471 -5.777 1.00 0.00 O ATOM 814 CB ILE A 54 -4.031 -11.969 -3.019 1.00 0.00 C ATOM 815 CG1 ILE A 54 -3.329 -11.586 -1.714 1.00 0.00 C ATOM 816 CG2 ILE A 54 -4.567 -13.401 -2.982 1.00 0.00 C ATOM 817 CD1 ILE A 54 -3.980 -10.354 -1.082 1.00 0.00 C ATOM 0 H ILE A 54 -3.742 -9.868 -4.861 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.159 -12.223 -3.948 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.890 -11.307 -3.130 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.370 -12.422 -1.016 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.276 -11.385 -1.909 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.221 -13.522 -2.119 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.129 -13.603 -3.894 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.734 -14.100 -2.907 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.462 -10.103 -0.156 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.915 -9.513 -1.773 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.027 -10.566 -0.866 1.00 0.00 H new ATOM 829 N LYS A 55 -2.638 -12.996 -6.236 1.00 0.00 N ATOM 830 CA LYS A 55 -2.954 -13.684 -7.476 1.00 0.00 C ATOM 831 C LYS A 55 -3.573 -12.691 -8.462 1.00 0.00 C ATOM 832 O LYS A 55 -4.467 -13.047 -9.229 1.00 0.00 O ATOM 833 CB LYS A 55 -3.832 -14.906 -7.202 1.00 0.00 C ATOM 834 CG LYS A 55 -3.005 -16.193 -7.229 1.00 0.00 C ATOM 835 CD LYS A 55 -3.419 -17.135 -6.097 1.00 0.00 C ATOM 836 CE LYS A 55 -4.748 -17.824 -6.415 1.00 0.00 C ATOM 837 NZ LYS A 55 -4.657 -19.276 -6.144 1.00 0.00 N ATOM 0 H LYS A 55 -1.646 -12.976 -6.000 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.046 -14.070 -7.939 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.315 -14.800 -6.231 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.625 -14.963 -7.948 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -3.135 -16.693 -8.189 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.946 -15.951 -7.137 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.644 -17.886 -5.942 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.510 -16.574 -5.167 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.545 -17.385 -5.814 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.009 -17.659 -7.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.567 -19.728 -6.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.910 -19.693 -6.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.429 -19.428 -5.141 1.00 0.00 H new ATOM 851 N GLY A 56 -3.073 -11.465 -8.410 1.00 0.00 N ATOM 852 CA GLY A 56 -3.566 -10.418 -9.290 1.00 0.00 C ATOM 853 C GLY A 56 -4.980 -9.989 -8.892 1.00 0.00 C ATOM 854 O GLY A 56 -5.859 -9.872 -9.744 1.00 0.00 O ATOM 0 H GLY A 56 -2.332 -11.173 -7.773 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.896 -9.559 -9.250 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.566 -10.774 -10.320 1.00 0.00 H new ATOM 858 N ARG A 57 -5.154 -9.766 -7.598 1.00 0.00 N ATOM 859 CA ARG A 57 -6.446 -9.352 -7.078 1.00 0.00 C ATOM 860 C ARG A 57 -6.262 -8.378 -5.912 1.00 0.00 C ATOM 861 O ARG A 57 -5.794 -8.766 -4.843 1.00 0.00 O ATOM 862 CB ARG A 57 -7.260 -10.557 -6.602 1.00 0.00 C ATOM 863 CG ARG A 57 -7.614 -11.476 -7.773 1.00 0.00 C ATOM 864 CD ARG A 57 -8.873 -10.987 -8.492 1.00 0.00 C ATOM 865 NE ARG A 57 -9.998 -11.912 -8.227 1.00 0.00 N ATOM 866 CZ ARG A 57 -11.176 -11.864 -8.866 1.00 0.00 C ATOM 867 NH1 ARG A 57 -11.389 -10.938 -9.810 1.00 0.00 N ATOM 868 NH2 ARG A 57 -12.140 -12.743 -8.560 1.00 0.00 N ATOM 0 H ARG A 57 -4.422 -9.864 -6.894 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.986 -8.859 -7.886 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -6.691 -11.114 -5.857 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.173 -10.214 -6.115 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.781 -11.514 -8.475 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.770 -12.491 -7.409 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.129 -9.983 -8.153 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.688 -10.924 -9.564 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.869 -12.630 -7.514 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.655 -10.269 -10.043 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.285 -10.902 -10.296 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.978 -13.448 -7.841 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.036 -12.707 -9.046 1.00 0.00 H new ATOM 882 N LYS A 58 -6.638 -7.132 -6.159 1.00 0.00 N ATOM 883 CA LYS A 58 -6.520 -6.099 -5.144 1.00 0.00 C ATOM 884 C LYS A 58 -7.378 -6.478 -3.935 1.00 0.00 C ATOM 885 O LYS A 58 -8.599 -6.336 -3.967 1.00 0.00 O ATOM 886 CB LYS A 58 -6.859 -4.728 -5.732 1.00 0.00 C ATOM 887 CG LYS A 58 -5.596 -4.011 -6.213 1.00 0.00 C ATOM 888 CD LYS A 58 -5.370 -4.242 -7.709 1.00 0.00 C ATOM 889 CE LYS A 58 -5.685 -2.979 -8.513 1.00 0.00 C ATOM 890 NZ LYS A 58 -6.283 -3.331 -9.820 1.00 0.00 N ATOM 0 H LYS A 58 -7.025 -6.814 -7.048 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.490 -6.025 -4.795 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.553 -4.847 -6.564 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.363 -4.120 -4.980 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.683 -2.943 -6.015 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.733 -4.370 -5.652 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.336 -4.539 -7.882 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.999 -5.063 -8.053 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.371 -2.345 -7.951 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.773 -2.402 -8.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.490 -2.462 -10.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.615 -3.917 -10.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.164 -3.862 -9.667 1.00 0.00 H new ATOM 904 N THR A 59 -6.705 -6.954 -2.897 1.00 0.00 N ATOM 905 CA THR A 59 -7.390 -7.355 -1.681 1.00 0.00 C ATOM 906 C THR A 59 -7.208 -6.295 -0.592 1.00 0.00 C ATOM 907 O THR A 59 -6.155 -6.225 0.041 1.00 0.00 O ATOM 908 CB THR A 59 -6.869 -8.736 -1.277 1.00 0.00 C ATOM 909 OG1 THR A 59 -7.784 -9.643 -1.886 1.00 0.00 O ATOM 910 CG2 THR A 59 -7.020 -9.004 0.222 1.00 0.00 C ATOM 0 H THR A 59 -5.692 -7.071 -2.874 1.00 0.00 H new ATOM 0 HA THR A 59 -8.466 -7.432 -1.841 1.00 0.00 H new ATOM 0 HB THR A 59 -5.819 -8.824 -1.557 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.520 -10.563 -1.677 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.635 -9.997 0.455 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.459 -8.257 0.784 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.073 -8.950 0.497 1.00 0.00 H new ATOM 918 N VAL A 60 -8.249 -5.497 -0.408 1.00 0.00 N ATOM 919 CA VAL A 60 -8.217 -4.444 0.593 1.00 0.00 C ATOM 920 C VAL A 60 -7.499 -4.956 1.843 1.00 0.00 C ATOM 921 O VAL A 60 -7.568 -6.142 2.161 1.00 0.00 O ATOM 922 CB VAL A 60 -9.637 -3.951 0.879 1.00 0.00 C ATOM 923 CG1 VAL A 60 -9.657 -3.005 2.082 1.00 0.00 C ATOM 924 CG2 VAL A 60 -10.244 -3.281 -0.355 1.00 0.00 C ATOM 0 H VAL A 60 -9.120 -5.558 -0.935 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.656 -3.584 0.225 1.00 0.00 H new ATOM 0 HB VAL A 60 -10.250 -4.819 1.124 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.678 -2.669 2.264 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.285 -3.528 2.963 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.022 -2.143 1.877 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -11.253 -2.940 -0.124 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -9.630 -2.428 -0.645 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.282 -3.997 -1.176 1.00 0.00 H new ATOM 934 N THR A 61 -6.825 -4.037 2.518 1.00 0.00 N ATOM 935 CA THR A 61 -6.094 -4.380 3.726 1.00 0.00 C ATOM 936 C THR A 61 -6.492 -3.449 4.873 1.00 0.00 C ATOM 937 O THR A 61 -7.094 -2.400 4.645 1.00 0.00 O ATOM 938 CB THR A 61 -4.600 -4.342 3.402 1.00 0.00 C ATOM 939 OG1 THR A 61 -4.021 -5.262 4.323 1.00 0.00 O ATOM 940 CG2 THR A 61 -3.957 -3.001 3.762 1.00 0.00 C ATOM 0 H THR A 61 -6.770 -3.054 2.251 1.00 0.00 H new ATOM 0 HA THR A 61 -6.341 -5.386 4.066 1.00 0.00 H new ATOM 0 HB THR A 61 -4.454 -4.542 2.340 1.00 0.00 H new ATOM 0 HG1 THR A 61 -3.063 -5.077 4.411 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.896 -3.027 3.512 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.442 -2.202 3.201 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.073 -2.817 4.830 1.00 0.00 H new ATOM 948 N ALA A 62 -6.139 -3.864 6.080 1.00 0.00 N ATOM 949 CA ALA A 62 -6.451 -3.080 7.263 1.00 0.00 C ATOM 950 C ALA A 62 -5.249 -2.202 7.619 1.00 0.00 C ATOM 951 O ALA A 62 -4.121 -2.500 7.230 1.00 0.00 O ATOM 952 CB ALA A 62 -6.848 -4.016 8.406 1.00 0.00 C ATOM 0 H ALA A 62 -5.639 -4.734 6.265 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.297 -2.420 7.074 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.082 -3.428 9.293 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.723 -4.596 8.114 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.022 -4.692 8.626 1.00 0.00 H new ATOM 958 N TRP A 63 -5.532 -1.138 8.355 1.00 0.00 N ATOM 959 CA TRP A 63 -4.489 -0.215 8.769 1.00 0.00 C ATOM 960 C TRP A 63 -3.868 -0.750 10.061 1.00 0.00 C ATOM 961 O TRP A 63 -2.652 -0.703 10.235 1.00 0.00 O ATOM 962 CB TRP A 63 -5.039 1.205 8.913 1.00 0.00 C ATOM 963 CG TRP A 63 -5.494 1.834 7.594 1.00 0.00 C ATOM 964 CD1 TRP A 63 -6.741 2.149 7.218 1.00 0.00 C ATOM 965 CD2 TRP A 63 -4.651 2.213 6.486 1.00 0.00 C ATOM 966 NE1 TRP A 63 -6.763 2.701 5.953 1.00 0.00 N ATOM 967 CE2 TRP A 63 -5.451 2.741 5.494 1.00 0.00 C ATOM 968 CE3 TRP A 63 -3.257 2.112 6.328 1.00 0.00 C ATOM 969 CZ2 TRP A 63 -4.950 3.211 4.274 1.00 0.00 C ATOM 970 CZ3 TRP A 63 -2.772 2.586 5.102 1.00 0.00 C ATOM 971 CH2 TRP A 63 -3.565 3.121 4.094 1.00 0.00 C ATOM 0 H TRP A 63 -6.469 -0.894 8.676 1.00 0.00 H new ATOM 0 HA TRP A 63 -3.709 -0.149 8.010 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -5.881 1.189 9.605 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -4.271 1.837 9.359 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -7.618 1.991 7.828 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -7.589 3.021 5.448 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -2.612 1.702 7.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -5.597 3.621 3.513 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -1.707 2.532 4.928 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -3.114 3.466 3.175 1.00 0.00 H new ATOM 982 N ASP A 64 -4.733 -1.247 10.933 1.00 0.00 N ATOM 983 CA ASP A 64 -4.286 -1.790 12.204 1.00 0.00 C ATOM 984 C ASP A 64 -3.427 -3.031 11.949 1.00 0.00 C ATOM 985 O ASP A 64 -2.538 -3.347 12.738 1.00 0.00 O ATOM 986 CB ASP A 64 -5.473 -2.207 13.074 1.00 0.00 C ATOM 987 CG ASP A 64 -6.029 -1.107 13.980 1.00 0.00 C ATOM 988 OD1 ASP A 64 -5.301 -0.109 14.173 1.00 0.00 O ATOM 989 OD2 ASP A 64 -7.169 -1.288 14.460 1.00 0.00 O ATOM 0 H ASP A 64 -5.741 -1.285 10.784 1.00 0.00 H new ATOM 0 HA ASP A 64 -3.716 -1.017 12.719 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.274 -2.561 12.424 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.170 -3.050 13.695 1.00 0.00 H new ATOM 994 N THR A 65 -3.724 -3.700 10.845 1.00 0.00 N ATOM 995 CA THR A 65 -2.991 -4.899 10.476 1.00 0.00 C ATOM 996 C THR A 65 -1.485 -4.666 10.611 1.00 0.00 C ATOM 997 O THR A 65 -1.042 -3.531 10.780 1.00 0.00 O ATOM 998 CB THR A 65 -3.420 -5.300 9.063 1.00 0.00 C ATOM 999 OG1 THR A 65 -4.786 -5.678 9.209 1.00 0.00 O ATOM 1000 CG2 THR A 65 -2.729 -6.577 8.582 1.00 0.00 C ATOM 0 H THR A 65 -4.463 -3.434 10.194 1.00 0.00 H new ATOM 0 HA THR A 65 -3.222 -5.726 11.148 1.00 0.00 H new ATOM 0 HB THR A 65 -3.200 -4.486 8.372 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.040 -6.277 8.476 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.069 -6.817 7.574 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.650 -6.426 8.575 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.976 -7.399 9.254 1.00 0.00 H new ATOM 1008 N ALA A 66 -0.740 -5.758 10.531 1.00 0.00 N ATOM 1009 CA ALA A 66 0.707 -5.687 10.642 1.00 0.00 C ATOM 1010 C ALA A 66 1.320 -5.644 9.241 1.00 0.00 C ATOM 1011 O ALA A 66 0.627 -5.862 8.249 1.00 0.00 O ATOM 1012 CB ALA A 66 1.215 -6.873 11.464 1.00 0.00 C ATOM 0 H ALA A 66 -1.111 -6.698 10.391 1.00 0.00 H new ATOM 0 HA ALA A 66 1.008 -4.777 11.162 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.301 -6.820 11.547 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.773 -6.842 12.460 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.934 -7.804 10.971 1.00 0.00 H new ATOM 1018 N ILE A 67 2.614 -5.360 9.204 1.00 0.00 N ATOM 1019 CA ILE A 67 3.329 -5.286 7.941 1.00 0.00 C ATOM 1020 C ILE A 67 4.273 -6.484 7.823 1.00 0.00 C ATOM 1021 O ILE A 67 5.210 -6.464 7.026 1.00 0.00 O ATOM 1022 CB ILE A 67 4.031 -3.933 7.802 1.00 0.00 C ATOM 1023 CG1 ILE A 67 4.530 -3.719 6.372 1.00 0.00 C ATOM 1024 CG2 ILE A 67 5.156 -3.791 8.829 1.00 0.00 C ATOM 1025 CD1 ILE A 67 3.570 -2.825 5.584 1.00 0.00 C ATOM 0 H ILE A 67 3.186 -5.178 10.029 1.00 0.00 H new ATOM 0 HA ILE A 67 2.633 -5.346 7.105 1.00 0.00 H new ATOM 0 HB ILE A 67 3.304 -3.148 8.010 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.521 -3.265 6.393 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.631 -4.681 5.870 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.638 -2.821 8.709 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.743 -3.868 9.835 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.890 -4.582 8.677 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.948 -2.689 4.571 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.587 -3.293 5.544 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.490 -1.855 6.075 1.00 0.00 H new ATOM 1037 N ALA A 68 3.993 -7.499 8.627 1.00 0.00 N ATOM 1038 CA ALA A 68 4.806 -8.703 8.623 1.00 0.00 C ATOM 1039 C ALA A 68 4.392 -9.588 7.446 1.00 0.00 C ATOM 1040 O ALA A 68 5.221 -9.945 6.610 1.00 0.00 O ATOM 1041 CB ALA A 68 4.667 -9.419 9.968 1.00 0.00 C ATOM 0 H ALA A 68 3.214 -7.512 9.286 1.00 0.00 H new ATOM 0 HA ALA A 68 5.859 -8.454 8.494 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.277 -10.322 9.964 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.001 -8.759 10.768 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.623 -9.687 10.131 1.00 0.00 H new ATOM 1047 N PRO A 69 3.075 -9.926 7.416 1.00 0.00 N ATOM 1048 CA PRO A 69 2.540 -10.763 6.356 1.00 0.00 C ATOM 1049 C PRO A 69 2.402 -9.974 5.052 1.00 0.00 C ATOM 1050 O PRO A 69 1.316 -9.900 4.478 1.00 0.00 O ATOM 1051 CB PRO A 69 1.209 -11.269 6.887 1.00 0.00 C ATOM 1052 CG PRO A 69 0.831 -10.334 8.024 1.00 0.00 C ATOM 1053 CD PRO A 69 2.063 -9.522 8.389 1.00 0.00 C ATOM 0 HA PRO A 69 3.197 -11.597 6.107 1.00 0.00 H new ATOM 0 HB2 PRO A 69 0.449 -11.261 6.106 1.00 0.00 H new ATOM 0 HB3 PRO A 69 1.294 -12.297 7.239 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.016 -9.676 7.722 1.00 0.00 H new ATOM 0 HG3 PRO A 69 0.480 -10.903 8.885 1.00 0.00 H new ATOM 0 HD2 PRO A 69 1.863 -8.452 8.332 1.00 0.00 H new ATOM 0 HD3 PRO A 69 2.388 -9.731 9.408 1.00 0.00 H new ATOM 1061 N LEU A 70 3.518 -9.403 4.622 1.00 0.00 N ATOM 1062 CA LEU A 70 3.535 -8.623 3.397 1.00 0.00 C ATOM 1063 C LEU A 70 4.736 -9.042 2.547 1.00 0.00 C ATOM 1064 O LEU A 70 4.620 -9.187 1.331 1.00 0.00 O ATOM 1065 CB LEU A 70 3.499 -7.126 3.714 1.00 0.00 C ATOM 1066 CG LEU A 70 2.142 -6.564 4.142 1.00 0.00 C ATOM 1067 CD1 LEU A 70 1.060 -6.903 3.116 1.00 0.00 C ATOM 1068 CD2 LEU A 70 1.770 -7.042 5.547 1.00 0.00 C ATOM 0 H LEU A 70 4.417 -9.465 5.101 1.00 0.00 H new ATOM 0 HA LEU A 70 2.641 -8.822 2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.220 -6.925 4.507 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.835 -6.580 2.832 1.00 0.00 H new ATOM 0 HG LEU A 70 2.219 -5.477 4.181 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.105 -6.492 3.445 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.327 -6.474 2.150 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.975 -7.986 3.021 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.801 -6.628 5.827 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.717 -8.131 5.559 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.526 -6.708 6.257 1.00 0.00 H new ATOM 1080 N ASP A 71 5.862 -9.226 3.220 1.00 0.00 N ATOM 1081 CA ASP A 71 7.083 -9.626 2.542 1.00 0.00 C ATOM 1082 C ASP A 71 6.730 -10.506 1.341 1.00 0.00 C ATOM 1083 O ASP A 71 6.202 -11.604 1.506 1.00 0.00 O ATOM 1084 CB ASP A 71 7.989 -10.437 3.471 1.00 0.00 C ATOM 1085 CG ASP A 71 9.246 -11.007 2.812 1.00 0.00 C ATOM 1086 OD1 ASP A 71 9.779 -10.319 1.915 1.00 0.00 O ATOM 1087 OD2 ASP A 71 9.646 -12.119 3.220 1.00 0.00 O ATOM 0 H ASP A 71 5.954 -9.105 4.229 1.00 0.00 H new ATOM 0 HA ASP A 71 7.605 -8.722 2.227 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.290 -9.803 4.305 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.411 -11.261 3.889 1.00 0.00 H new ATOM 1092 N GLY A 72 7.035 -9.989 0.160 1.00 0.00 N ATOM 1093 CA GLY A 72 6.756 -10.714 -1.068 1.00 0.00 C ATOM 1094 C GLY A 72 5.329 -10.445 -1.552 1.00 0.00 C ATOM 1095 O GLY A 72 4.549 -11.376 -1.742 1.00 0.00 O ATOM 0 H GLY A 72 7.472 -9.077 0.027 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.467 -10.418 -1.839 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.892 -11.783 -0.902 1.00 0.00 H new ATOM 1099 N GLU A 73 5.033 -9.167 -1.737 1.00 0.00 N ATOM 1100 CA GLU A 73 3.714 -8.763 -2.195 1.00 0.00 C ATOM 1101 C GLU A 73 3.753 -7.330 -2.728 1.00 0.00 C ATOM 1102 O GLU A 73 4.827 -6.756 -2.900 1.00 0.00 O ATOM 1103 CB GLU A 73 2.679 -8.905 -1.077 1.00 0.00 C ATOM 1104 CG GLU A 73 2.865 -7.818 -0.016 1.00 0.00 C ATOM 1105 CD GLU A 73 2.027 -6.581 -0.346 1.00 0.00 C ATOM 1106 OE1 GLU A 73 0.796 -6.660 -0.145 1.00 0.00 O ATOM 1107 OE2 GLU A 73 2.636 -5.585 -0.791 1.00 0.00 O ATOM 0 H GLU A 73 5.684 -8.398 -1.578 1.00 0.00 H new ATOM 0 HA GLU A 73 3.415 -9.424 -3.009 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.675 -8.841 -1.496 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.770 -9.888 -0.615 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.578 -8.206 0.961 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.918 -7.542 0.047 1.00 0.00 H new ATOM 1114 N GLU A 74 2.567 -6.792 -2.975 1.00 0.00 N ATOM 1115 CA GLU A 74 2.452 -5.437 -3.486 1.00 0.00 C ATOM 1116 C GLU A 74 1.189 -4.769 -2.938 1.00 0.00 C ATOM 1117 O GLU A 74 0.084 -5.274 -3.127 1.00 0.00 O ATOM 1118 CB GLU A 74 2.459 -5.424 -5.016 1.00 0.00 C ATOM 1119 CG GLU A 74 3.866 -5.161 -5.555 1.00 0.00 C ATOM 1120 CD GLU A 74 4.023 -5.716 -6.973 1.00 0.00 C ATOM 1121 OE1 GLU A 74 3.075 -5.524 -7.765 1.00 0.00 O ATOM 1122 OE2 GLU A 74 5.086 -6.320 -7.232 1.00 0.00 O ATOM 0 H GLU A 74 1.678 -7.270 -2.831 1.00 0.00 H new ATOM 0 HA GLU A 74 3.318 -4.868 -3.147 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.094 -6.379 -5.393 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.777 -4.656 -5.380 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.064 -4.089 -5.556 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.603 -5.621 -4.897 1.00 0.00 H new ATOM 1129 N LEU A 75 1.396 -3.643 -2.270 1.00 0.00 N ATOM 1130 CA LEU A 75 0.288 -2.901 -1.694 1.00 0.00 C ATOM 1131 C LEU A 75 -0.027 -1.693 -2.579 1.00 0.00 C ATOM 1132 O LEU A 75 0.872 -0.939 -2.948 1.00 0.00 O ATOM 1133 CB LEU A 75 0.587 -2.536 -0.238 1.00 0.00 C ATOM 1134 CG LEU A 75 0.507 -3.683 0.771 1.00 0.00 C ATOM 1135 CD1 LEU A 75 1.157 -3.291 2.099 1.00 0.00 C ATOM 1136 CD2 LEU A 75 -0.938 -4.152 0.956 1.00 0.00 C ATOM 0 H LEU A 75 2.314 -3.227 -2.115 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.610 -3.518 -1.666 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.587 -2.106 -0.190 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.110 -1.757 0.071 1.00 0.00 H new ATOM 0 HG LEU A 75 1.070 -4.527 0.373 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.086 -4.124 2.798 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.206 -3.045 1.932 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.643 -2.424 2.514 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.966 -4.968 1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.546 -3.324 1.320 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.333 -4.499 0.001 1.00 0.00 H new ATOM 1148 N ILE A 76 -1.306 -1.546 -2.892 1.00 0.00 N ATOM 1149 CA ILE A 76 -1.750 -0.443 -3.727 1.00 0.00 C ATOM 1150 C ILE A 76 -2.560 0.539 -2.878 1.00 0.00 C ATOM 1151 O ILE A 76 -3.649 0.209 -2.411 1.00 0.00 O ATOM 1152 CB ILE A 76 -2.504 -0.966 -4.951 1.00 0.00 C ATOM 1153 CG1 ILE A 76 -1.575 -1.764 -5.868 1.00 0.00 C ATOM 1154 CG2 ILE A 76 -3.202 0.175 -5.694 1.00 0.00 C ATOM 1155 CD1 ILE A 76 -2.377 -2.592 -6.875 1.00 0.00 C ATOM 0 H ILE A 76 -2.049 -2.172 -2.582 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.894 0.105 -4.120 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.281 -1.649 -4.607 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.910 -1.083 -6.399 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.945 -2.423 -5.270 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.730 -0.224 -6.560 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.914 0.662 -5.027 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.460 0.901 -6.025 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.693 -3.150 -7.515 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.023 -3.289 -6.341 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.987 -1.928 -7.488 1.00 0.00 H new ATOM 1167 N VAL A 77 -1.998 1.726 -2.705 1.00 0.00 N ATOM 1168 CA VAL A 77 -2.655 2.758 -1.920 1.00 0.00 C ATOM 1169 C VAL A 77 -3.563 3.585 -2.832 1.00 0.00 C ATOM 1170 O VAL A 77 -3.127 4.067 -3.876 1.00 0.00 O ATOM 1171 CB VAL A 77 -1.610 3.604 -1.190 1.00 0.00 C ATOM 1172 CG1 VAL A 77 -2.279 4.679 -0.330 1.00 0.00 C ATOM 1173 CG2 VAL A 77 -0.685 2.725 -0.346 1.00 0.00 C ATOM 0 H VAL A 77 -1.095 1.997 -3.095 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.286 2.311 -1.152 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.001 4.106 -1.942 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.514 5.266 0.178 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.877 5.333 -0.965 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.923 4.204 0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.048 3.351 0.162 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.274 2.182 0.394 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.170 2.014 -0.992 1.00 0.00 H new ATOM 1183 N GLU A 78 -4.809 3.724 -2.405 1.00 0.00 N ATOM 1184 CA GLU A 78 -5.782 4.485 -3.170 1.00 0.00 C ATOM 1185 C GLU A 78 -6.620 5.363 -2.239 1.00 0.00 C ATOM 1186 O GLU A 78 -6.588 5.191 -1.021 1.00 0.00 O ATOM 1187 CB GLU A 78 -6.674 3.558 -3.998 1.00 0.00 C ATOM 1188 CG GLU A 78 -6.340 3.662 -5.488 1.00 0.00 C ATOM 1189 CD GLU A 78 -7.467 4.357 -6.255 1.00 0.00 C ATOM 1190 OE1 GLU A 78 -8.620 3.899 -6.106 1.00 0.00 O ATOM 1191 OE2 GLU A 78 -7.149 5.329 -6.973 1.00 0.00 O ATOM 0 H GLU A 78 -5.168 3.322 -1.539 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.244 5.133 -3.862 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.544 2.529 -3.664 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.721 3.816 -3.837 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.411 4.217 -5.618 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -6.177 2.665 -5.898 1.00 0.00 H new ATOM 1198 N VAL A 79 -7.351 6.286 -2.847 1.00 0.00 N ATOM 1199 CA VAL A 79 -8.196 7.192 -2.087 1.00 0.00 C ATOM 1200 C VAL A 79 -9.652 6.737 -2.197 1.00 0.00 C ATOM 1201 O VAL A 79 -10.146 6.483 -3.295 1.00 0.00 O ATOM 1202 CB VAL A 79 -7.981 8.630 -2.563 1.00 0.00 C ATOM 1203 CG1 VAL A 79 -8.971 9.584 -1.890 1.00 0.00 C ATOM 1204 CG2 VAL A 79 -6.538 9.078 -2.322 1.00 0.00 C ATOM 0 H VAL A 79 -7.376 6.426 -3.857 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.928 7.170 -1.031 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.165 8.658 -3.637 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.797 10.600 -2.246 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -9.990 9.283 -2.135 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.832 9.549 -0.809 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.413 10.104 -2.669 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.314 9.026 -1.257 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.858 8.424 -2.868 1.00 0.00 H new ATOM 1214 N LEU A 80 -10.299 6.648 -1.044 1.00 0.00 N ATOM 1215 CA LEU A 80 -11.690 6.228 -0.997 1.00 0.00 C ATOM 1216 C LEU A 80 -12.535 7.182 -1.842 1.00 0.00 C ATOM 1217 O LEU A 80 -12.579 8.382 -1.573 1.00 0.00 O ATOM 1218 CB LEU A 80 -12.164 6.105 0.452 1.00 0.00 C ATOM 1219 CG LEU A 80 -11.814 4.797 1.164 1.00 0.00 C ATOM 1220 CD1 LEU A 80 -12.214 4.852 2.640 1.00 0.00 C ATOM 1221 CD2 LEU A 80 -12.438 3.599 0.446 1.00 0.00 C ATOM 0 H LEU A 80 -9.886 6.859 -0.136 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.803 5.234 -1.430 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -11.740 6.931 1.023 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.247 6.227 0.471 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.732 4.667 1.128 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -11.954 3.910 3.123 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -11.685 5.669 3.130 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -13.289 5.016 2.720 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -12.174 2.682 0.972 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -13.522 3.709 0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -12.063 3.552 -0.576 1.00 0.00 H new ATOM 1233 N SER A 81 -13.186 6.614 -2.847 1.00 0.00 N ATOM 1234 CA SER A 81 -14.028 7.400 -3.733 1.00 0.00 C ATOM 1235 C SER A 81 -15.066 6.498 -4.404 1.00 0.00 C ATOM 1236 O SER A 81 -16.263 6.775 -4.347 1.00 0.00 O ATOM 1237 CB SER A 81 -13.191 8.124 -4.790 1.00 0.00 C ATOM 1238 OG SER A 81 -13.483 9.517 -4.839 1.00 0.00 O ATOM 0 H SER A 81 -13.147 5.619 -3.067 1.00 0.00 H new ATOM 0 HA SER A 81 -14.542 8.154 -3.137 1.00 0.00 H new ATOM 0 HB2 SER A 81 -12.132 7.983 -4.573 1.00 0.00 H new ATOM 0 HB3 SER A 81 -13.378 7.680 -5.768 1.00 0.00 H new ATOM 0 HG SER A 81 -12.927 9.944 -5.524 1.00 0.00 H new ATOM 1244 N GLY A 82 -14.569 5.438 -5.025 1.00 0.00 N ATOM 1245 CA GLY A 82 -15.439 4.494 -5.706 1.00 0.00 C ATOM 1246 C GLY A 82 -15.224 4.546 -7.221 1.00 0.00 C ATOM 1247 O GLY A 82 -14.773 5.559 -7.753 1.00 0.00 O ATOM 0 H GLY A 82 -13.575 5.212 -5.071 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -15.244 3.485 -5.342 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -16.480 4.721 -5.475 1.00 0.00 H new ATOM 1251 N PRO A 83 -15.567 3.412 -7.888 1.00 0.00 N ATOM 1252 CA PRO A 83 -15.416 3.318 -9.331 1.00 0.00 C ATOM 1253 C PRO A 83 -16.510 4.112 -10.048 1.00 0.00 C ATOM 1254 O PRO A 83 -17.522 4.466 -9.446 1.00 0.00 O ATOM 1255 CB PRO A 83 -15.466 1.830 -9.636 1.00 0.00 C ATOM 1256 CG PRO A 83 -16.104 1.177 -8.421 1.00 0.00 C ATOM 1257 CD PRO A 83 -16.104 2.193 -7.291 1.00 0.00 C ATOM 0 HA PRO A 83 -14.481 3.752 -9.686 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -16.050 1.635 -10.536 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -14.466 1.434 -9.813 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -17.122 0.860 -8.649 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -15.549 0.285 -8.132 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -17.110 2.352 -6.902 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -15.489 1.857 -6.456 1.00 0.00 H new ATOM 1265 N SER A 84 -16.268 4.369 -11.326 1.00 0.00 N ATOM 1266 CA SER A 84 -17.220 5.115 -12.132 1.00 0.00 C ATOM 1267 C SER A 84 -16.824 5.044 -13.608 1.00 0.00 C ATOM 1268 O SER A 84 -17.587 4.548 -14.436 1.00 0.00 O ATOM 1269 CB SER A 84 -17.306 6.572 -11.675 1.00 0.00 C ATOM 1270 OG SER A 84 -18.311 6.763 -10.684 1.00 0.00 O ATOM 0 H SER A 84 -15.427 4.074 -11.822 1.00 0.00 H new ATOM 0 HA SER A 84 -18.204 4.664 -12.004 1.00 0.00 H new ATOM 0 HB2 SER A 84 -16.341 6.884 -11.277 1.00 0.00 H new ATOM 0 HB3 SER A 84 -17.518 7.209 -12.534 1.00 0.00 H new ATOM 0 HG SER A 84 -18.276 6.028 -10.037 1.00 0.00 H new ATOM 1276 N SER A 85 -15.631 5.546 -13.893 1.00 0.00 N ATOM 1277 CA SER A 85 -15.124 5.545 -15.254 1.00 0.00 C ATOM 1278 C SER A 85 -15.151 4.125 -15.822 1.00 0.00 C ATOM 1279 O SER A 85 -14.332 3.287 -15.447 1.00 0.00 O ATOM 1280 CB SER A 85 -13.705 6.114 -15.314 1.00 0.00 C ATOM 1281 OG SER A 85 -13.689 7.457 -15.792 1.00 0.00 O ATOM 0 H SER A 85 -15.001 5.956 -13.204 1.00 0.00 H new ATOM 0 HA SER A 85 -15.768 6.183 -15.859 1.00 0.00 H new ATOM 0 HB2 SER A 85 -13.257 6.077 -14.321 1.00 0.00 H new ATOM 0 HB3 SER A 85 -13.091 5.490 -15.964 1.00 0.00 H new ATOM 0 HG SER A 85 -12.766 7.785 -15.814 1.00 0.00 H new ATOM 1287 N GLY A 86 -16.100 3.897 -16.718 1.00 0.00 N ATOM 1288 CA GLY A 86 -16.244 2.592 -17.341 1.00 0.00 C ATOM 1289 C GLY A 86 -16.728 1.552 -16.329 1.00 0.00 C ATOM 1290 O GLY A 86 -15.925 0.957 -15.612 1.00 0.00 O ATOM 0 H GLY A 86 -16.777 4.594 -17.028 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -16.951 2.656 -18.168 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -15.289 2.278 -17.762 1.00 0.00 H new TER 1294 GLY A 86