USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 706 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 91 HIS : no HD1:sc= -0.161 X(o=-0.33,f=0.12) USER MOD Set 1.2: A 95 LYS NZ :NH3+ -126:sc= -0.166 (180deg=0) USER MOD Set 2.1: A 20 HIS : no HE2:sc= -14.2! C(o=-16!,f=-17!) USER MOD Set 2.2: A 54 GLN : amide:sc= -1.8 K(o=-16,f=-21!) USER MOD Single : A 12 SER OG : rot 180:sc= -0.245 USER MOD Single : A 16 SER OG : rot 75:sc= 0.00277 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -112:sc= -0.311 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 160:sc= -4.59! USER MOD Single : A 45 ASN : amide:sc= -0.0866 K(o=-0.087,f=-0.68) USER MOD Single : A 48 MET CE :methyl -118:sc= -0.171 (180deg=-1.66) USER MOD Single : A 50 LYS NZ :NH3+ 162:sc= -0.445 (180deg=-1.19) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -4.21! C(o=-4.2!,f=-1.6!) USER MOD Single : A 59 MET CE :methyl -174:sc= -1.18 (180deg=-1.35) USER MOD Single : A 60 ASN : amide:sc= -20.2! C(o=-20!,f=-13!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -5.61! C(o=-5.6!,f=-8.1!) USER MOD Single : A 67 THR OG1 : rot 74:sc= 1.02 USER MOD Single : A 68 MET CE :methyl 161:sc= -2.36! (180deg=-3.19!) USER MOD Single : A 70 ASN : amide:sc= -0.0213 K(o=-0.021,f=-1.6!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 147:sc= -0.12 USER MOD Single : A 73 THR OG1 : rot -22:sc= -1.95! USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot -155:sc= 1.21 USER MOD Single : A 82 GLN : amide:sc= -0.309 K(o=-0.31,f=-1.2) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -2.52! K(o=-2.5!,f=-1.7) USER MOD Single : A 89 SER OG : rot 121:sc= -1.79! USER MOD Single : A 90 ASN : amide:sc= -0.486 K(o=-0.49,f=-4.9!) USER MOD Single : A 92 LYS NZ :NH3+ 147:sc= -0.593 (180deg=-2.23!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 12 -17.984 12.608 -2.233 1.00 0.00 N ATOM 2 CA SER A 12 -16.854 12.225 -1.347 1.00 0.00 C ATOM 3 C SER A 12 -16.558 10.732 -1.444 1.00 0.00 C ATOM 4 O SER A 12 -15.685 10.310 -2.204 1.00 0.00 O ATOM 5 CB SER A 12 -17.214 12.600 0.092 1.00 0.00 C ATOM 6 OG SER A 12 -16.445 11.856 1.021 1.00 0.00 O ATOM 0 HA SER A 12 -15.957 12.758 -1.661 1.00 0.00 H new ATOM 0 HB2 SER A 12 -17.045 13.666 0.246 1.00 0.00 H new ATOM 0 HB3 SER A 12 -18.275 12.417 0.264 1.00 0.00 H new ATOM 0 HG SER A 12 -16.693 12.115 1.933 1.00 0.00 H new ATOM 11 N GLY A 13 -17.291 9.938 -0.672 1.00 0.00 N ATOM 12 CA GLY A 13 -17.093 8.501 -0.687 1.00 0.00 C ATOM 13 C GLY A 13 -15.629 8.117 -0.594 1.00 0.00 C ATOM 14 O GLY A 13 -14.946 7.996 -1.611 1.00 0.00 O ATOM 0 H GLY A 13 -18.019 10.264 -0.036 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -17.636 8.054 0.145 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -17.516 8.088 -1.603 1.00 0.00 H new ATOM 18 N VAL A 14 -15.147 7.923 0.629 1.00 0.00 N ATOM 19 CA VAL A 14 -13.756 7.549 0.853 1.00 0.00 C ATOM 20 C VAL A 14 -13.449 6.184 0.251 1.00 0.00 C ATOM 21 O VAL A 14 -14.171 5.215 0.482 1.00 0.00 O ATOM 22 CB VAL A 14 -13.414 7.524 2.350 1.00 0.00 C ATOM 23 CG1 VAL A 14 -11.926 7.749 2.563 1.00 0.00 C ATOM 24 CG2 VAL A 14 -14.232 8.559 3.107 1.00 0.00 C ATOM 0 H VAL A 14 -15.700 8.019 1.481 1.00 0.00 H new ATOM 0 HA VAL A 14 -13.144 8.306 0.362 1.00 0.00 H new ATOM 0 HB VAL A 14 -13.669 6.540 2.743 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -11.704 7.728 3.630 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.363 6.963 2.059 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -11.642 8.718 2.153 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -13.974 8.524 4.165 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -14.016 9.552 2.714 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -15.294 8.344 2.985 1.00 0.00 H new ATOM 34 N PRO A 15 -12.363 6.091 -0.532 1.00 0.00 N ATOM 35 CA PRO A 15 -11.953 4.839 -1.172 1.00 0.00 C ATOM 36 C PRO A 15 -11.911 3.673 -0.190 1.00 0.00 C ATOM 37 O PRO A 15 -12.676 2.717 -0.313 1.00 0.00 O ATOM 38 CB PRO A 15 -10.549 5.154 -1.691 1.00 0.00 C ATOM 39 CG PRO A 15 -10.550 6.627 -1.910 1.00 0.00 C ATOM 40 CD PRO A 15 -11.451 7.204 -0.852 1.00 0.00 C ATOM 0 HA PRO A 15 -12.651 4.528 -1.950 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -9.785 4.861 -0.971 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -10.338 4.616 -2.615 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -9.542 7.034 -1.828 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -10.913 6.873 -2.908 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -10.887 7.525 0.024 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -11.994 8.075 -1.219 1.00 0.00 H new ATOM 48 N SER A 16 -11.013 3.760 0.785 1.00 0.00 N ATOM 49 CA SER A 16 -10.871 2.711 1.789 1.00 0.00 C ATOM 50 C SER A 16 -9.565 2.867 2.561 1.00 0.00 C ATOM 51 O SER A 16 -8.613 3.475 2.074 1.00 0.00 O ATOM 52 CB SER A 16 -10.925 1.334 1.128 1.00 0.00 C ATOM 53 OG SER A 16 -12.018 0.576 1.616 1.00 0.00 O ATOM 0 H SER A 16 -10.373 4.545 0.902 1.00 0.00 H new ATOM 0 HA SER A 16 -11.699 2.802 2.492 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.012 1.449 0.048 1.00 0.00 H new ATOM 0 HB3 SER A 16 -9.994 0.799 1.318 1.00 0.00 H new ATOM 0 HG SER A 16 -12.851 0.915 1.227 1.00 0.00 H new ATOM 59 N ARG A 17 -9.528 2.312 3.768 1.00 0.00 N ATOM 60 CA ARG A 17 -8.338 2.388 4.608 1.00 0.00 C ATOM 61 C ARG A 17 -7.231 1.492 4.063 1.00 0.00 C ATOM 62 O ARG A 17 -6.064 1.638 4.427 1.00 0.00 O ATOM 63 CB ARG A 17 -8.675 1.985 6.045 1.00 0.00 C ATOM 64 CG ARG A 17 -9.303 0.606 6.159 1.00 0.00 C ATOM 65 CD ARG A 17 -9.998 0.418 7.498 1.00 0.00 C ATOM 66 NE ARG A 17 -11.028 1.426 7.727 1.00 0.00 N ATOM 67 CZ ARG A 17 -11.423 1.815 8.935 1.00 0.00 C ATOM 68 NH1 ARG A 17 -10.874 1.281 10.017 1.00 0.00 N ATOM 69 NH2 ARG A 17 -12.367 2.737 9.061 1.00 0.00 N ATOM 0 H ARG A 17 -10.308 1.805 4.186 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.984 3.419 4.601 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.765 2.011 6.644 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.357 2.722 6.470 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.022 0.465 5.352 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.534 -0.156 6.037 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.447 -0.574 7.537 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.260 0.465 8.299 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.470 1.856 6.914 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.148 0.571 9.923 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -11.178 1.580 10.944 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -12.792 3.149 8.230 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -12.669 3.034 9.989 1.00 0.00 H new ATOM 83 N VAL A 18 -7.604 0.564 3.188 1.00 0.00 N ATOM 84 CA VAL A 18 -6.643 -0.355 2.592 1.00 0.00 C ATOM 85 C VAL A 18 -6.026 0.237 1.330 1.00 0.00 C ATOM 86 O VAL A 18 -6.710 0.891 0.541 1.00 0.00 O ATOM 87 CB VAL A 18 -7.297 -1.706 2.243 1.00 0.00 C ATOM 88 CG1 VAL A 18 -6.293 -2.630 1.572 1.00 0.00 C ATOM 89 CG2 VAL A 18 -7.880 -2.354 3.490 1.00 0.00 C ATOM 0 H VAL A 18 -8.566 0.429 2.876 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.862 -0.519 3.334 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.111 -1.524 1.541 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -6.774 -3.579 1.334 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.929 -2.167 0.655 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.455 -2.808 2.246 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.338 -3.307 3.225 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.086 -2.523 4.217 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -8.635 -1.697 3.923 1.00 0.00 H new ATOM 99 N ILE A 19 -4.730 0.008 1.146 1.00 0.00 N ATOM 100 CA ILE A 19 -4.022 0.522 -0.021 1.00 0.00 C ATOM 101 C ILE A 19 -3.278 -0.593 -0.748 1.00 0.00 C ATOM 102 O ILE A 19 -2.278 -1.114 -0.252 1.00 0.00 O ATOM 103 CB ILE A 19 -3.016 1.620 0.373 1.00 0.00 C ATOM 104 CG1 ILE A 19 -3.694 2.673 1.251 1.00 0.00 C ATOM 105 CG2 ILE A 19 -2.418 2.263 -0.870 1.00 0.00 C ATOM 106 CD1 ILE A 19 -4.759 3.469 0.527 1.00 0.00 C ATOM 0 H ILE A 19 -4.149 -0.530 1.789 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.774 0.947 -0.685 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.209 1.163 0.945 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.143 2.181 2.113 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.937 3.358 1.633 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.709 3.037 -0.574 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.903 1.505 -1.460 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.213 2.709 -1.468 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.197 4.197 1.210 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.311 3.990 -0.320 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.536 2.794 0.168 1.00 0.00 H new ATOM 118 N HIS A 20 -3.770 -0.955 -1.929 1.00 0.00 N ATOM 119 CA HIS A 20 -3.148 -2.006 -2.725 1.00 0.00 C ATOM 120 C HIS A 20 -1.919 -1.476 -3.456 1.00 0.00 C ATOM 121 O HIS A 20 -2.035 -0.671 -4.381 1.00 0.00 O ATOM 122 CB HIS A 20 -4.149 -2.576 -3.732 1.00 0.00 C ATOM 123 CG HIS A 20 -3.781 -3.935 -4.239 1.00 0.00 C ATOM 124 ND1 HIS A 20 -4.350 -4.500 -5.362 1.00 0.00 N ATOM 125 CD2 HIS A 20 -2.897 -4.847 -3.770 1.00 0.00 C ATOM 126 CE1 HIS A 20 -3.832 -5.699 -5.560 1.00 0.00 C ATOM 127 NE2 HIS A 20 -2.948 -5.933 -4.609 1.00 0.00 N ATOM 0 H HIS A 20 -4.597 -0.536 -2.355 1.00 0.00 H new ATOM 0 HA HIS A 20 -2.834 -2.801 -2.049 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -5.133 -2.626 -3.265 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -4.231 -1.892 -4.577 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -5.060 -4.060 -5.948 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.269 -4.740 -2.898 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -4.089 -6.373 -6.364 1.00 0.00 H new ATOM 136 N ILE A 21 -0.744 -1.930 -3.036 1.00 0.00 N ATOM 137 CA ILE A 21 0.505 -1.498 -3.648 1.00 0.00 C ATOM 138 C ILE A 21 0.805 -2.298 -4.911 1.00 0.00 C ATOM 139 O ILE A 21 0.755 -3.529 -4.906 1.00 0.00 O ATOM 140 CB ILE A 21 1.687 -1.640 -2.671 1.00 0.00 C ATOM 141 CG1 ILE A 21 1.413 -0.853 -1.388 1.00 0.00 C ATOM 142 CG2 ILE A 21 2.975 -1.167 -3.326 1.00 0.00 C ATOM 143 CD1 ILE A 21 2.593 -0.806 -0.442 1.00 0.00 C ATOM 0 H ILE A 21 -0.631 -2.598 -2.273 1.00 0.00 H new ATOM 0 HA ILE A 21 0.382 -0.447 -3.908 1.00 0.00 H new ATOM 0 HB ILE A 21 1.801 -2.692 -2.411 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.128 0.166 -1.651 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.562 -1.299 -0.873 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.801 -1.274 -2.623 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.174 -1.768 -4.213 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.875 -0.120 -3.612 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.326 -0.232 0.445 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.865 -1.820 -0.149 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.439 -0.332 -0.939 1.00 0.00 H new ATOM 155 N ARG A 22 1.119 -1.590 -5.991 1.00 0.00 N ATOM 156 CA ARG A 22 1.429 -2.233 -7.263 1.00 0.00 C ATOM 157 C ARG A 22 2.898 -2.035 -7.624 1.00 0.00 C ATOM 158 O ARG A 22 3.638 -1.361 -6.907 1.00 0.00 O ATOM 159 CB ARG A 22 0.538 -1.673 -8.372 1.00 0.00 C ATOM 160 CG ARG A 22 1.035 -0.356 -8.946 1.00 0.00 C ATOM 161 CD ARG A 22 0.087 0.185 -10.004 1.00 0.00 C ATOM 162 NE ARG A 22 0.804 0.780 -11.128 1.00 0.00 N ATOM 163 CZ ARG A 22 0.305 0.868 -12.356 1.00 0.00 C ATOM 164 NH1 ARG A 22 -0.909 0.403 -12.616 1.00 0.00 N ATOM 165 NH2 ARG A 22 1.020 1.422 -13.325 1.00 0.00 N ATOM 0 H ARG A 22 1.166 -0.571 -6.011 1.00 0.00 H new ATOM 0 HA ARG A 22 1.238 -3.301 -7.160 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.468 -2.406 -9.175 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -0.469 -1.532 -7.981 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.141 0.374 -8.144 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.024 -0.498 -9.381 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.550 -0.622 -10.367 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.568 0.932 -9.556 1.00 0.00 H new ATOM 0 HE ARG A 22 1.740 1.149 -10.961 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.462 -0.023 -11.872 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.290 0.472 -13.560 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.954 1.781 -13.128 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.636 1.489 -14.268 1.00 0.00 H new ATOM 179 N LYS A 23 3.315 -2.626 -8.738 1.00 0.00 N ATOM 180 CA LYS A 23 4.697 -2.512 -9.188 1.00 0.00 C ATOM 181 C LYS A 23 5.660 -2.700 -8.022 1.00 0.00 C ATOM 182 O LYS A 23 6.748 -2.126 -8.003 1.00 0.00 O ATOM 183 CB LYS A 23 4.933 -1.149 -9.840 1.00 0.00 C ATOM 184 CG LYS A 23 5.541 -1.235 -11.231 1.00 0.00 C ATOM 185 CD LYS A 23 7.020 -0.887 -11.213 1.00 0.00 C ATOM 186 CE LYS A 23 7.865 -2.063 -10.752 1.00 0.00 C ATOM 187 NZ LYS A 23 8.414 -2.837 -11.900 1.00 0.00 N ATOM 0 H LYS A 23 2.717 -3.188 -9.345 1.00 0.00 H new ATOM 0 HA LYS A 23 4.881 -3.295 -9.923 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.984 -0.615 -9.900 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.591 -0.559 -9.201 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.408 -2.242 -11.626 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.014 -0.557 -11.902 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.335 -0.581 -12.211 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.186 -0.037 -10.551 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.686 -1.700 -10.134 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.261 -2.721 -10.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.984 -3.630 -11.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.631 -3.206 -12.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.011 -2.217 -12.483 1.00 0.00 H new ATOM 201 N LEU A 24 5.252 -3.509 -7.049 1.00 0.00 N ATOM 202 CA LEU A 24 6.078 -3.770 -5.878 1.00 0.00 C ATOM 203 C LEU A 24 6.447 -5.245 -5.796 1.00 0.00 C ATOM 204 O LEU A 24 5.587 -6.096 -5.570 1.00 0.00 O ATOM 205 CB LEU A 24 5.344 -3.349 -4.602 1.00 0.00 C ATOM 206 CG LEU A 24 5.778 -4.085 -3.333 1.00 0.00 C ATOM 207 CD1 LEU A 24 7.257 -3.860 -3.063 1.00 0.00 C ATOM 208 CD2 LEU A 24 4.946 -3.635 -2.143 1.00 0.00 C ATOM 0 H LEU A 24 4.355 -3.994 -7.049 1.00 0.00 H new ATOM 0 HA LEU A 24 6.993 -3.185 -5.973 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.492 -2.280 -4.452 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.275 -3.506 -4.747 1.00 0.00 H new ATOM 0 HG LEU A 24 5.614 -5.152 -3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.546 -4.391 -2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.841 -4.233 -3.904 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.445 -2.794 -2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.269 -4.170 -1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.077 -2.563 -1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.894 -3.849 -2.333 1.00 0.00 H new ATOM 220 N PRO A 25 7.736 -5.570 -5.968 1.00 0.00 N ATOM 221 CA PRO A 25 8.211 -6.951 -5.903 1.00 0.00 C ATOM 222 C PRO A 25 8.022 -7.538 -4.512 1.00 0.00 C ATOM 223 O PRO A 25 8.993 -7.767 -3.791 1.00 0.00 O ATOM 224 CB PRO A 25 9.705 -6.848 -6.243 1.00 0.00 C ATOM 225 CG PRO A 25 9.879 -5.497 -6.853 1.00 0.00 C ATOM 226 CD PRO A 25 8.831 -4.624 -6.229 1.00 0.00 C ATOM 0 HA PRO A 25 7.663 -7.606 -6.581 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.320 -6.958 -5.350 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.006 -7.634 -6.936 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.878 -5.107 -6.659 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.758 -5.539 -7.935 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.188 -4.155 -5.312 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.522 -3.821 -6.898 1.00 0.00 H new ATOM 234 N ILE A 26 6.765 -7.768 -4.137 1.00 0.00 N ATOM 235 CA ILE A 26 6.449 -8.318 -2.825 1.00 0.00 C ATOM 236 C ILE A 26 7.529 -9.292 -2.375 1.00 0.00 C ATOM 237 O ILE A 26 7.703 -10.366 -2.950 1.00 0.00 O ATOM 238 CB ILE A 26 5.067 -9.002 -2.810 1.00 0.00 C ATOM 239 CG1 ILE A 26 3.967 -7.943 -2.755 1.00 0.00 C ATOM 240 CG2 ILE A 26 4.944 -9.949 -1.627 1.00 0.00 C ATOM 241 CD1 ILE A 26 3.743 -7.380 -1.369 1.00 0.00 C ATOM 0 H ILE A 26 5.952 -7.582 -4.724 1.00 0.00 H new ATOM 0 HA ILE A 26 6.414 -7.485 -2.123 1.00 0.00 H new ATOM 0 HB ILE A 26 4.959 -9.586 -3.724 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.223 -7.129 -3.433 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.036 -8.378 -3.117 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.961 -10.419 -1.638 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.714 -10.717 -1.694 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.069 -9.390 -0.699 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.949 -6.634 -1.403 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.456 -8.184 -0.691 1.00 0.00 H new ATOM 0 HD13 ILE A 26 4.662 -6.915 -1.012 1.00 0.00 H new ATOM 253 N ASP A 27 8.257 -8.878 -1.348 1.00 0.00 N ATOM 254 CA ASP A 27 9.348 -9.652 -0.787 1.00 0.00 C ATOM 255 C ASP A 27 10.377 -8.700 -0.195 1.00 0.00 C ATOM 256 O ASP A 27 11.146 -9.062 0.695 1.00 0.00 O ATOM 257 CB ASP A 27 9.998 -10.539 -1.851 1.00 0.00 C ATOM 258 CG ASP A 27 11.372 -11.028 -1.435 1.00 0.00 C ATOM 259 OD1 ASP A 27 11.444 -11.972 -0.619 1.00 0.00 O ATOM 260 OD2 ASP A 27 12.375 -10.468 -1.924 1.00 0.00 O ATOM 0 H ASP A 27 8.103 -7.986 -0.878 1.00 0.00 H new ATOM 0 HA ASP A 27 8.955 -10.304 -0.007 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.354 -11.396 -2.048 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.081 -9.981 -2.784 1.00 0.00 H new ATOM 265 N VAL A 28 10.360 -7.464 -0.691 1.00 0.00 N ATOM 266 CA VAL A 28 11.257 -6.428 -0.218 1.00 0.00 C ATOM 267 C VAL A 28 11.084 -6.249 1.288 1.00 0.00 C ATOM 268 O VAL A 28 10.624 -7.164 1.971 1.00 0.00 O ATOM 269 CB VAL A 28 10.986 -5.107 -0.970 1.00 0.00 C ATOM 270 CG1 VAL A 28 9.821 -4.356 -0.348 1.00 0.00 C ATOM 271 CG2 VAL A 28 12.236 -4.241 -1.034 1.00 0.00 C ATOM 0 H VAL A 28 9.725 -7.160 -1.429 1.00 0.00 H new ATOM 0 HA VAL A 28 12.288 -6.721 -0.415 1.00 0.00 H new ATOM 0 HB VAL A 28 10.710 -5.356 -1.995 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.651 -3.429 -0.896 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.924 -4.974 -0.393 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.051 -4.125 0.692 1.00 0.00 H new ATOM 0 HG21 VAL A 28 12.012 -3.318 -1.570 1.00 0.00 H new ATOM 0 HG22 VAL A 28 12.566 -4.003 -0.023 1.00 0.00 H new ATOM 0 HG23 VAL A 28 13.026 -4.781 -1.556 1.00 0.00 H new ATOM 281 N THR A 29 11.456 -5.092 1.812 1.00 0.00 N ATOM 282 CA THR A 29 11.336 -4.849 3.244 1.00 0.00 C ATOM 283 C THR A 29 10.081 -4.055 3.586 1.00 0.00 C ATOM 284 O THR A 29 9.667 -3.164 2.843 1.00 0.00 O ATOM 285 CB THR A 29 12.564 -4.105 3.798 1.00 0.00 C ATOM 286 OG1 THR A 29 12.601 -2.769 3.284 1.00 0.00 O ATOM 287 CG2 THR A 29 13.849 -4.831 3.429 1.00 0.00 C ATOM 0 H THR A 29 11.839 -4.313 1.276 1.00 0.00 H new ATOM 0 HA THR A 29 11.269 -5.832 3.711 1.00 0.00 H new ATOM 0 HB THR A 29 12.482 -4.074 4.884 1.00 0.00 H new ATOM 0 HG1 THR A 29 13.366 -2.672 2.679 1.00 0.00 H new ATOM 0 HG21 THR A 29 14.703 -4.286 3.831 1.00 0.00 H new ATOM 0 HG22 THR A 29 13.831 -5.838 3.847 1.00 0.00 H new ATOM 0 HG23 THR A 29 13.935 -4.890 2.344 1.00 0.00 H new ATOM 295 N GLU A 30 9.488 -4.386 4.728 1.00 0.00 N ATOM 296 CA GLU A 30 8.284 -3.710 5.193 1.00 0.00 C ATOM 297 C GLU A 30 8.626 -2.324 5.724 1.00 0.00 C ATOM 298 O GLU A 30 7.985 -1.335 5.365 1.00 0.00 O ATOM 299 CB GLU A 30 7.596 -4.535 6.282 1.00 0.00 C ATOM 300 CG GLU A 30 7.416 -5.999 5.916 1.00 0.00 C ATOM 301 CD GLU A 30 8.635 -6.837 6.246 1.00 0.00 C ATOM 302 OE1 GLU A 30 9.590 -6.840 5.441 1.00 0.00 O ATOM 303 OE2 GLU A 30 8.635 -7.491 7.310 1.00 0.00 O ATOM 0 H GLU A 30 9.824 -5.121 5.350 1.00 0.00 H new ATOM 0 HA GLU A 30 7.601 -3.604 4.350 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.180 -4.468 7.200 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.619 -4.099 6.493 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.551 -6.398 6.446 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.202 -6.080 4.850 1.00 0.00 H new ATOM 310 N GLY A 31 9.645 -2.256 6.574 1.00 0.00 N ATOM 311 CA GLY A 31 10.057 -0.982 7.130 1.00 0.00 C ATOM 312 C GLY A 31 10.021 0.120 6.092 1.00 0.00 C ATOM 313 O GLY A 31 9.761 1.279 6.412 1.00 0.00 O ATOM 0 H GLY A 31 10.191 -3.059 6.887 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.404 -0.720 7.962 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.066 -1.070 7.533 1.00 0.00 H new ATOM 317 N GLU A 32 10.276 -0.250 4.842 1.00 0.00 N ATOM 318 CA GLU A 32 10.265 0.706 3.744 1.00 0.00 C ATOM 319 C GLU A 32 8.834 1.000 3.310 1.00 0.00 C ATOM 320 O GLU A 32 8.426 2.158 3.228 1.00 0.00 O ATOM 321 CB GLU A 32 11.071 0.166 2.560 1.00 0.00 C ATOM 322 CG GLU A 32 12.240 1.052 2.166 1.00 0.00 C ATOM 323 CD GLU A 32 13.548 0.288 2.084 1.00 0.00 C ATOM 324 OE1 GLU A 32 13.512 -0.914 1.747 1.00 0.00 O ATOM 325 OE2 GLU A 32 14.606 0.892 2.358 1.00 0.00 O ATOM 0 H GLU A 32 10.493 -1.207 4.565 1.00 0.00 H new ATOM 0 HA GLU A 32 10.724 1.632 4.089 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.446 -0.827 2.809 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.408 0.050 1.702 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.032 1.514 1.201 1.00 0.00 H new ATOM 0 HG3 GLU A 32 12.340 1.860 2.891 1.00 0.00 H new ATOM 332 N VAL A 33 8.073 -0.057 3.041 1.00 0.00 N ATOM 333 CA VAL A 33 6.685 0.091 2.625 1.00 0.00 C ATOM 334 C VAL A 33 5.896 0.896 3.651 1.00 0.00 C ATOM 335 O VAL A 33 5.220 1.869 3.309 1.00 0.00 O ATOM 336 CB VAL A 33 6.006 -1.277 2.428 1.00 0.00 C ATOM 337 CG1 VAL A 33 4.665 -1.113 1.727 1.00 0.00 C ATOM 338 CG2 VAL A 33 6.912 -2.216 1.646 1.00 0.00 C ATOM 0 H VAL A 33 8.395 -1.023 3.104 1.00 0.00 H new ATOM 0 HA VAL A 33 6.691 0.621 1.672 1.00 0.00 H new ATOM 0 HB VAL A 33 5.826 -1.716 3.409 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.201 -2.090 1.597 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.014 -0.480 2.330 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.818 -0.651 0.752 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.415 -3.177 1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.127 -1.784 0.668 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.845 -2.360 2.192 1.00 0.00 H new ATOM 348 N ILE A 34 5.992 0.490 4.913 1.00 0.00 N ATOM 349 CA ILE A 34 5.300 1.171 5.991 1.00 0.00 C ATOM 350 C ILE A 34 5.866 2.575 6.187 1.00 0.00 C ATOM 351 O ILE A 34 5.122 3.554 6.231 1.00 0.00 O ATOM 352 CB ILE A 34 5.417 0.372 7.304 1.00 0.00 C ATOM 353 CG1 ILE A 34 4.477 -0.834 7.277 1.00 0.00 C ATOM 354 CG2 ILE A 34 5.113 1.255 8.501 1.00 0.00 C ATOM 355 CD1 ILE A 34 5.201 -2.163 7.230 1.00 0.00 C ATOM 0 H ILE A 34 6.547 -0.312 5.211 1.00 0.00 H new ATOM 0 HA ILE A 34 4.247 1.248 5.721 1.00 0.00 H new ATOM 0 HB ILE A 34 6.442 0.014 7.397 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.839 -0.808 8.161 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.822 -0.755 6.409 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.202 0.670 9.416 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.820 2.084 8.530 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.099 1.646 8.417 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.473 -2.974 7.213 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.817 -2.210 6.332 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.835 -2.263 8.111 1.00 0.00 H new ATOM 367 N SER A 35 7.188 2.665 6.297 1.00 0.00 N ATOM 368 CA SER A 35 7.850 3.951 6.479 1.00 0.00 C ATOM 369 C SER A 35 7.267 4.987 5.527 1.00 0.00 C ATOM 370 O SER A 35 7.054 6.140 5.900 1.00 0.00 O ATOM 371 CB SER A 35 9.356 3.815 6.247 1.00 0.00 C ATOM 372 OG SER A 35 9.974 5.086 6.151 1.00 0.00 O ATOM 0 H SER A 35 7.820 1.865 6.263 1.00 0.00 H new ATOM 0 HA SER A 35 7.682 4.282 7.504 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.804 3.250 7.065 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.537 3.249 5.333 1.00 0.00 H new ATOM 0 HG SER A 35 10.936 4.972 6.004 1.00 0.00 H new ATOM 378 N LEU A 36 7.003 4.562 4.295 1.00 0.00 N ATOM 379 CA LEU A 36 6.435 5.448 3.288 1.00 0.00 C ATOM 380 C LEU A 36 5.050 5.917 3.713 1.00 0.00 C ATOM 381 O LEU A 36 4.706 7.088 3.558 1.00 0.00 O ATOM 382 CB LEU A 36 6.352 4.733 1.937 1.00 0.00 C ATOM 383 CG LEU A 36 7.636 4.768 1.106 1.00 0.00 C ATOM 384 CD1 LEU A 36 7.626 3.660 0.064 1.00 0.00 C ATOM 385 CD2 LEU A 36 7.803 6.125 0.440 1.00 0.00 C ATOM 0 H LEU A 36 7.174 3.610 3.971 1.00 0.00 H new ATOM 0 HA LEU A 36 7.085 6.317 3.188 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.078 3.692 2.110 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.548 5.182 1.354 1.00 0.00 H new ATOM 0 HG LEU A 36 8.483 4.606 1.773 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.547 3.700 -0.518 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.553 2.693 0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.771 3.792 -0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.722 6.132 -0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.953 6.316 -0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.855 6.901 1.204 1.00 0.00 H new ATOM 397 N GLY A 37 4.261 4.992 4.254 1.00 0.00 N ATOM 398 CA GLY A 37 2.922 5.329 4.700 1.00 0.00 C ATOM 399 C GLY A 37 2.914 5.957 6.079 1.00 0.00 C ATOM 400 O GLY A 37 1.884 6.453 6.537 1.00 0.00 O ATOM 0 H GLY A 37 4.526 4.017 4.391 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.467 6.017 3.988 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.308 4.429 4.710 1.00 0.00 H new ATOM 404 N LEU A 38 4.065 5.939 6.744 1.00 0.00 N ATOM 405 CA LEU A 38 4.185 6.513 8.079 1.00 0.00 C ATOM 406 C LEU A 38 3.728 7.967 8.084 1.00 0.00 C ATOM 407 O LEU A 38 2.786 8.331 8.790 1.00 0.00 O ATOM 408 CB LEU A 38 5.630 6.417 8.574 1.00 0.00 C ATOM 409 CG LEU A 38 5.811 5.680 9.902 1.00 0.00 C ATOM 410 CD1 LEU A 38 5.144 4.315 9.851 1.00 0.00 C ATOM 411 CD2 LEU A 38 7.290 5.541 10.234 1.00 0.00 C ATOM 0 H LEU A 38 4.927 5.533 6.380 1.00 0.00 H new ATOM 0 HA LEU A 38 3.543 5.944 8.752 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.226 5.914 7.813 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.030 7.425 8.678 1.00 0.00 H new ATOM 0 HG LEU A 38 5.334 6.264 10.689 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.284 3.806 10.805 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.078 4.438 9.658 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.591 3.721 9.054 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.402 5.015 11.182 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.789 4.978 9.445 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.740 6.531 10.313 1.00 0.00 H new ATOM 423 N PRO A 39 4.389 8.819 7.286 1.00 0.00 N ATOM 424 CA PRO A 39 4.045 10.241 7.191 1.00 0.00 C ATOM 425 C PRO A 39 2.617 10.447 6.702 1.00 0.00 C ATOM 426 O PRO A 39 2.039 11.521 6.867 1.00 0.00 O ATOM 427 CB PRO A 39 5.049 10.794 6.169 1.00 0.00 C ATOM 428 CG PRO A 39 5.550 9.600 5.429 1.00 0.00 C ATOM 429 CD PRO A 39 5.513 8.463 6.410 1.00 0.00 C ATOM 0 HA PRO A 39 4.096 10.739 8.159 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.573 11.505 5.494 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.864 11.322 6.664 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.925 9.388 4.561 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.562 9.765 5.060 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.350 7.506 5.913 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.447 8.379 6.966 1.00 0.00 H new ATOM 437 N PHE A 40 2.054 9.404 6.103 1.00 0.00 N ATOM 438 CA PHE A 40 0.691 9.454 5.589 1.00 0.00 C ATOM 439 C PHE A 40 -0.323 9.331 6.723 1.00 0.00 C ATOM 440 O PHE A 40 -1.527 9.454 6.507 1.00 0.00 O ATOM 441 CB PHE A 40 0.475 8.336 4.568 1.00 0.00 C ATOM 442 CG PHE A 40 1.120 8.617 3.242 1.00 0.00 C ATOM 443 CD1 PHE A 40 2.499 8.597 3.115 1.00 0.00 C ATOM 444 CD2 PHE A 40 0.352 8.904 2.125 1.00 0.00 C ATOM 445 CE1 PHE A 40 3.101 8.858 1.899 1.00 0.00 C ATOM 446 CE2 PHE A 40 0.949 9.166 0.906 1.00 0.00 C ATOM 447 CZ PHE A 40 2.325 9.143 0.793 1.00 0.00 C ATOM 0 H PHE A 40 2.523 8.510 5.961 1.00 0.00 H new ATOM 0 HA PHE A 40 0.543 10.418 5.101 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.873 7.404 4.969 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.595 8.188 4.421 1.00 0.00 H new ATOM 0 HD1 PHE A 40 3.111 8.375 3.977 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.725 8.923 2.208 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.177 8.839 1.814 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.340 9.389 0.043 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.793 9.347 -0.158 1.00 0.00 H new ATOM 457 N GLY A 41 0.174 9.087 7.930 1.00 0.00 N ATOM 458 CA GLY A 41 -0.699 8.950 9.079 1.00 0.00 C ATOM 459 C GLY A 41 -0.236 7.859 10.020 1.00 0.00 C ATOM 460 O GLY A 41 0.716 8.046 10.777 1.00 0.00 O ATOM 0 H GLY A 41 1.168 8.982 8.133 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.741 9.897 9.616 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.711 8.730 8.740 1.00 0.00 H new ATOM 464 N LYS A 42 -0.908 6.714 9.971 1.00 0.00 N ATOM 465 CA LYS A 42 -0.552 5.588 10.824 1.00 0.00 C ATOM 466 C LYS A 42 -0.898 4.263 10.155 1.00 0.00 C ATOM 467 O LYS A 42 -1.954 4.124 9.539 1.00 0.00 O ATOM 468 CB LYS A 42 -1.268 5.695 12.172 1.00 0.00 C ATOM 469 CG LYS A 42 -0.549 6.578 13.177 1.00 0.00 C ATOM 470 CD LYS A 42 0.147 5.753 14.246 1.00 0.00 C ATOM 471 CE LYS A 42 0.779 6.637 15.310 1.00 0.00 C ATOM 472 NZ LYS A 42 0.035 6.575 16.598 1.00 0.00 N ATOM 0 H LYS A 42 -1.700 6.542 9.351 1.00 0.00 H new ATOM 0 HA LYS A 42 0.525 5.618 10.989 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.272 6.087 12.010 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.380 4.696 12.594 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.184 7.198 12.660 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.264 7.254 13.646 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.572 5.079 14.712 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.915 5.132 13.785 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.812 6.328 15.472 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.807 7.668 14.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.498 7.191 17.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.944 6.894 16.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.030 5.596 16.949 1.00 0.00 H new ATOM 486 N VAL A 43 -0.004 3.290 10.288 1.00 0.00 N ATOM 487 CA VAL A 43 -0.219 1.973 9.704 1.00 0.00 C ATOM 488 C VAL A 43 -0.959 1.065 10.680 1.00 0.00 C ATOM 489 O VAL A 43 -0.485 0.809 11.786 1.00 0.00 O ATOM 490 CB VAL A 43 1.112 1.308 9.306 1.00 0.00 C ATOM 491 CG1 VAL A 43 0.891 -0.148 8.927 1.00 0.00 C ATOM 492 CG2 VAL A 43 1.769 2.070 8.165 1.00 0.00 C ATOM 0 H VAL A 43 0.876 3.389 10.795 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.822 2.114 8.807 1.00 0.00 H new ATOM 0 HB VAL A 43 1.782 1.337 10.165 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.843 -0.600 8.649 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.469 -0.685 9.776 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.203 -0.204 8.084 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.708 1.586 7.897 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.104 2.076 7.301 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.966 3.095 8.478 1.00 0.00 H new ATOM 502 N THR A 44 -2.129 0.589 10.266 1.00 0.00 N ATOM 503 CA THR A 44 -2.937 -0.281 11.110 1.00 0.00 C ATOM 504 C THR A 44 -2.678 -1.749 10.794 1.00 0.00 C ATOM 505 O THR A 44 -3.094 -2.638 11.537 1.00 0.00 O ATOM 506 CB THR A 44 -4.441 0.014 10.950 1.00 0.00 C ATOM 507 OG1 THR A 44 -5.024 -0.887 10.002 1.00 0.00 O ATOM 508 CG2 THR A 44 -4.655 1.445 10.498 1.00 0.00 C ATOM 0 H THR A 44 -2.537 0.791 9.353 1.00 0.00 H new ATOM 0 HA THR A 44 -2.646 -0.079 12.141 1.00 0.00 H new ATOM 0 HB THR A 44 -4.924 -0.125 11.917 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.994 -0.919 10.135 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.723 1.637 10.390 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.237 2.127 11.239 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.159 1.602 9.540 1.00 0.00 H new ATOM 516 N ASN A 45 -1.988 -1.996 9.684 1.00 0.00 N ATOM 517 CA ASN A 45 -1.671 -3.357 9.265 1.00 0.00 C ATOM 518 C ASN A 45 -1.004 -3.361 7.893 1.00 0.00 C ATOM 519 O ASN A 45 -1.310 -2.529 7.040 1.00 0.00 O ATOM 520 CB ASN A 45 -2.939 -4.211 9.230 1.00 0.00 C ATOM 521 CG ASN A 45 -2.700 -5.623 9.728 1.00 0.00 C ATOM 522 OD1 ASN A 45 -1.988 -5.835 10.710 1.00 0.00 O ATOM 523 ND2 ASN A 45 -3.293 -6.598 9.049 1.00 0.00 N ATOM 0 H ASN A 45 -1.638 -1.271 9.058 1.00 0.00 H new ATOM 0 HA ASN A 45 -0.976 -3.781 9.990 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.709 -3.739 9.841 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.320 -4.248 8.210 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.167 -7.569 9.335 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.875 -6.376 8.241 1.00 0.00 H new ATOM 530 N LEU A 46 -0.091 -4.306 7.686 1.00 0.00 N ATOM 531 CA LEU A 46 0.620 -4.420 6.416 1.00 0.00 C ATOM 532 C LEU A 46 0.884 -5.882 6.072 1.00 0.00 C ATOM 533 O LEU A 46 1.472 -6.619 6.862 1.00 0.00 O ATOM 534 CB LEU A 46 1.941 -3.650 6.476 1.00 0.00 C ATOM 535 CG LEU A 46 2.957 -4.018 5.393 1.00 0.00 C ATOM 536 CD1 LEU A 46 3.823 -5.183 5.846 1.00 0.00 C ATOM 537 CD2 LEU A 46 2.246 -4.356 4.090 1.00 0.00 C ATOM 0 H LEU A 46 0.174 -5.004 8.381 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.007 -3.989 5.636 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.726 -2.584 6.403 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.397 -3.817 7.452 1.00 0.00 H new ATOM 0 HG LEU A 46 3.603 -3.158 5.220 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.539 -5.430 5.062 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.359 -4.906 6.754 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.192 -6.049 6.047 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.983 -4.616 3.330 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.576 -5.201 4.250 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.669 -3.494 3.756 1.00 0.00 H new ATOM 549 N LEU A 47 0.444 -6.295 4.887 1.00 0.00 N ATOM 550 CA LEU A 47 0.633 -7.671 4.440 1.00 0.00 C ATOM 551 C LEU A 47 1.199 -7.714 3.024 1.00 0.00 C ATOM 552 O LEU A 47 0.610 -7.165 2.093 1.00 0.00 O ATOM 553 CB LEU A 47 -0.694 -8.431 4.493 1.00 0.00 C ATOM 554 CG LEU A 47 -0.572 -9.951 4.369 1.00 0.00 C ATOM 555 CD1 LEU A 47 -1.816 -10.632 4.917 1.00 0.00 C ATOM 556 CD2 LEU A 47 -0.338 -10.348 2.920 1.00 0.00 C ATOM 0 H LEU A 47 -0.045 -5.698 4.220 1.00 0.00 H new ATOM 0 HA LEU A 47 1.348 -8.149 5.110 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.193 -8.197 5.434 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.337 -8.066 3.692 1.00 0.00 H new ATOM 0 HG LEU A 47 0.285 -10.279 4.958 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.712 -11.713 4.821 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.940 -10.372 5.968 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.689 -10.300 4.356 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.253 -11.432 2.849 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.175 -10.009 2.310 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.583 -9.888 2.561 1.00 0.00 H new ATOM 568 N MET A 48 2.343 -8.374 2.869 1.00 0.00 N ATOM 569 CA MET A 48 2.985 -8.493 1.566 1.00 0.00 C ATOM 570 C MET A 48 2.481 -9.728 0.826 1.00 0.00 C ATOM 571 O MET A 48 2.785 -10.859 1.208 1.00 0.00 O ATOM 572 CB MET A 48 4.506 -8.566 1.727 1.00 0.00 C ATOM 573 CG MET A 48 5.044 -7.699 2.856 1.00 0.00 C ATOM 574 SD MET A 48 5.808 -6.178 2.261 1.00 0.00 S ATOM 575 CE MET A 48 7.222 -6.831 1.376 1.00 0.00 C ATOM 0 H MET A 48 2.843 -8.834 3.630 1.00 0.00 H new ATOM 0 HA MET A 48 2.732 -7.609 0.980 1.00 0.00 H new ATOM 0 HB2 MET A 48 4.794 -9.602 1.907 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.976 -8.262 0.792 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.230 -7.450 3.537 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.776 -8.268 3.429 1.00 0.00 H new ATOM 0 HE1 MET A 48 8.140 -6.468 1.838 1.00 0.00 H new ATOM 0 HE2 MET A 48 7.203 -7.920 1.413 1.00 0.00 H new ATOM 0 HE3 MET A 48 7.184 -6.503 0.337 1.00 0.00 H new ATOM 585 N LEU A 49 1.707 -9.506 -0.230 1.00 0.00 N ATOM 586 CA LEU A 49 1.158 -10.603 -1.019 1.00 0.00 C ATOM 587 C LEU A 49 2.162 -11.085 -2.062 1.00 0.00 C ATOM 588 O LEU A 49 2.439 -10.389 -3.041 1.00 0.00 O ATOM 589 CB LEU A 49 -0.137 -10.166 -1.707 1.00 0.00 C ATOM 590 CG LEU A 49 -1.049 -11.309 -2.157 1.00 0.00 C ATOM 591 CD1 LEU A 49 -1.654 -12.014 -0.953 1.00 0.00 C ATOM 592 CD2 LEU A 49 -2.143 -10.787 -3.076 1.00 0.00 C ATOM 0 H LEU A 49 1.445 -8.577 -0.560 1.00 0.00 H new ATOM 0 HA LEU A 49 0.943 -11.429 -0.341 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.694 -9.524 -1.025 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.118 -9.561 -2.577 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.449 -12.031 -2.712 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.300 -12.824 -1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.857 -12.422 -0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.240 -11.302 -0.371 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.782 -11.613 -3.386 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.740 -10.045 -2.546 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.691 -10.328 -3.955 1.00 0.00 H new ATOM 604 N LYS A 50 2.699 -12.283 -1.845 1.00 0.00 N ATOM 605 CA LYS A 50 3.669 -12.866 -2.766 1.00 0.00 C ATOM 606 C LYS A 50 2.965 -13.626 -3.885 1.00 0.00 C ATOM 607 O LYS A 50 3.357 -14.740 -4.235 1.00 0.00 O ATOM 608 CB LYS A 50 4.627 -13.805 -2.024 1.00 0.00 C ATOM 609 CG LYS A 50 4.567 -13.690 -0.507 1.00 0.00 C ATOM 610 CD LYS A 50 4.907 -12.285 -0.038 1.00 0.00 C ATOM 611 CE LYS A 50 5.179 -12.245 1.458 1.00 0.00 C ATOM 612 NZ LYS A 50 6.060 -13.365 1.892 1.00 0.00 N ATOM 0 H LYS A 50 2.478 -12.868 -1.039 1.00 0.00 H new ATOM 0 HA LYS A 50 4.244 -12.050 -3.203 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.402 -14.833 -2.308 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.646 -13.599 -2.352 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.569 -13.958 -0.161 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.261 -14.401 -0.060 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.782 -11.922 -0.577 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.084 -11.612 -0.277 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.646 -11.295 1.717 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.235 -12.295 2.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.468 -13.145 2.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.502 -14.241 1.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.826 -13.492 1.200 1.00 0.00 H new ATOM 626 N GLY A 51 1.923 -13.018 -4.443 1.00 0.00 N ATOM 627 CA GLY A 51 1.181 -13.652 -5.516 1.00 0.00 C ATOM 628 C GLY A 51 1.278 -12.887 -6.821 1.00 0.00 C ATOM 629 O GLY A 51 1.445 -13.481 -7.886 1.00 0.00 O ATOM 0 H GLY A 51 1.579 -12.097 -4.171 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.556 -14.665 -5.664 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.134 -13.739 -5.227 1.00 0.00 H new ATOM 633 N LYS A 52 1.173 -11.565 -6.739 1.00 0.00 N ATOM 634 CA LYS A 52 1.249 -10.717 -7.922 1.00 0.00 C ATOM 635 C LYS A 52 2.086 -9.472 -7.648 1.00 0.00 C ATOM 636 O LYS A 52 1.879 -8.426 -8.262 1.00 0.00 O ATOM 637 CB LYS A 52 -0.154 -10.312 -8.377 1.00 0.00 C ATOM 638 CG LYS A 52 -0.470 -10.717 -9.808 1.00 0.00 C ATOM 639 CD LYS A 52 -0.669 -9.501 -10.699 1.00 0.00 C ATOM 640 CE LYS A 52 0.371 -9.444 -11.805 1.00 0.00 C ATOM 641 NZ LYS A 52 0.598 -8.052 -12.284 1.00 0.00 N ATOM 0 H LYS A 52 1.035 -11.058 -5.865 1.00 0.00 H new ATOM 0 HA LYS A 52 1.730 -11.288 -8.716 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.888 -10.764 -7.710 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.260 -9.231 -8.282 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.341 -11.329 -10.202 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.370 -11.332 -9.823 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.667 -9.529 -11.137 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.611 -8.594 -10.097 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.310 -9.860 -11.441 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.048 -10.067 -12.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.314 -8.057 -13.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.292 -7.663 -12.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.931 -7.463 -11.494 1.00 0.00 H new ATOM 655 N ASN A 53 3.032 -9.595 -6.722 1.00 0.00 N ATOM 656 CA ASN A 53 3.901 -8.479 -6.366 1.00 0.00 C ATOM 657 C ASN A 53 3.085 -7.284 -5.889 1.00 0.00 C ATOM 658 O ASN A 53 3.290 -6.160 -6.347 1.00 0.00 O ATOM 659 CB ASN A 53 4.762 -8.073 -7.565 1.00 0.00 C ATOM 660 CG ASN A 53 5.865 -9.073 -7.850 1.00 0.00 C ATOM 661 OD1 ASN A 53 6.060 -9.491 -8.992 1.00 0.00 O ATOM 662 ND2 ASN A 53 6.598 -9.462 -6.812 1.00 0.00 N ATOM 0 H ASN A 53 3.216 -10.455 -6.205 1.00 0.00 H new ATOM 0 HA ASN A 53 4.549 -8.803 -5.552 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.129 -7.974 -8.447 1.00 0.00 H new ATOM 0 HB3 ASN A 53 5.203 -7.094 -7.377 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.356 -10.132 -6.945 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.403 -9.091 -5.882 1.00 0.00 H new ATOM 669 N GLN A 54 2.160 -7.530 -4.969 1.00 0.00 N ATOM 670 CA GLN A 54 1.316 -6.466 -4.439 1.00 0.00 C ATOM 671 C GLN A 54 1.215 -6.542 -2.919 1.00 0.00 C ATOM 672 O GLN A 54 1.107 -7.627 -2.347 1.00 0.00 O ATOM 673 CB GLN A 54 -0.082 -6.540 -5.056 1.00 0.00 C ATOM 674 CG GLN A 54 -0.140 -6.051 -6.492 1.00 0.00 C ATOM 675 CD GLN A 54 -1.279 -6.675 -7.275 1.00 0.00 C ATOM 676 OE1 GLN A 54 -2.060 -7.460 -6.737 1.00 0.00 O ATOM 677 NE2 GLN A 54 -1.379 -6.328 -8.553 1.00 0.00 N ATOM 0 H GLN A 54 1.976 -8.453 -4.576 1.00 0.00 H new ATOM 0 HA GLN A 54 1.777 -5.514 -4.703 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.433 -7.571 -5.018 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.769 -5.947 -4.451 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.251 -4.967 -6.498 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.804 -6.278 -6.988 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -0.709 -5.674 -8.958 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -2.126 -6.716 -9.130 1.00 0.00 H new ATOM 686 N ALA A 55 1.244 -5.381 -2.273 1.00 0.00 N ATOM 687 CA ALA A 55 1.148 -5.310 -0.820 1.00 0.00 C ATOM 688 C ALA A 55 -0.191 -4.715 -0.398 1.00 0.00 C ATOM 689 O ALA A 55 -0.963 -4.250 -1.235 1.00 0.00 O ATOM 690 CB ALA A 55 2.295 -4.490 -0.251 1.00 0.00 C ATOM 0 H ALA A 55 1.333 -4.475 -2.734 1.00 0.00 H new ATOM 0 HA ALA A 55 1.215 -6.323 -0.423 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.208 -4.447 0.835 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.243 -4.955 -0.521 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.257 -3.480 -0.658 1.00 0.00 H new ATOM 696 N PHE A 56 -0.464 -4.738 0.902 1.00 0.00 N ATOM 697 CA PHE A 56 -1.717 -4.203 1.419 1.00 0.00 C ATOM 698 C PHE A 56 -1.536 -3.615 2.815 1.00 0.00 C ATOM 699 O PHE A 56 -1.232 -4.335 3.767 1.00 0.00 O ATOM 700 CB PHE A 56 -2.783 -5.300 1.455 1.00 0.00 C ATOM 701 CG PHE A 56 -2.987 -5.985 0.133 1.00 0.00 C ATOM 702 CD1 PHE A 56 -2.023 -6.841 -0.377 1.00 0.00 C ATOM 703 CD2 PHE A 56 -4.145 -5.772 -0.598 1.00 0.00 C ATOM 704 CE1 PHE A 56 -2.212 -7.471 -1.593 1.00 0.00 C ATOM 705 CE2 PHE A 56 -4.338 -6.400 -1.813 1.00 0.00 C ATOM 706 CZ PHE A 56 -3.371 -7.250 -2.311 1.00 0.00 C ATOM 0 H PHE A 56 0.161 -5.119 1.612 1.00 0.00 H new ATOM 0 HA PHE A 56 -2.039 -3.404 0.751 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.502 -6.044 2.200 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.729 -4.865 1.779 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.115 -7.017 0.181 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.905 -5.108 -0.213 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.454 -8.135 -1.981 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -5.245 -6.226 -2.373 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.521 -7.742 -3.261 1.00 0.00 H new ATOM 716 N ILE A 57 -1.738 -2.306 2.933 1.00 0.00 N ATOM 717 CA ILE A 57 -1.611 -1.630 4.219 1.00 0.00 C ATOM 718 C ILE A 57 -2.957 -1.084 4.674 1.00 0.00 C ATOM 719 O ILE A 57 -3.840 -0.820 3.857 1.00 0.00 O ATOM 720 CB ILE A 57 -0.583 -0.479 4.169 1.00 0.00 C ATOM 721 CG1 ILE A 57 -1.195 0.780 3.547 1.00 0.00 C ATOM 722 CG2 ILE A 57 0.651 -0.908 3.395 1.00 0.00 C ATOM 723 CD1 ILE A 57 -0.316 2.007 3.682 1.00 0.00 C ATOM 0 H ILE A 57 -1.989 -1.694 2.156 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.256 -2.373 4.933 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.291 -0.240 5.192 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.390 0.596 2.490 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -2.157 0.978 4.019 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.367 -0.087 3.368 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.106 -1.770 3.884 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.367 -1.176 2.377 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.811 2.861 3.220 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.142 2.216 4.738 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.638 1.828 3.186 1.00 0.00 H new ATOM 735 N GLU A 58 -3.110 -0.916 5.979 1.00 0.00 N ATOM 736 CA GLU A 58 -4.353 -0.402 6.539 1.00 0.00 C ATOM 737 C GLU A 58 -4.119 0.913 7.271 1.00 0.00 C ATOM 738 O GLU A 58 -3.313 0.985 8.197 1.00 0.00 O ATOM 739 CB GLU A 58 -4.970 -1.429 7.491 1.00 0.00 C ATOM 740 CG GLU A 58 -5.457 -2.688 6.794 1.00 0.00 C ATOM 741 CD GLU A 58 -6.969 -2.761 6.712 1.00 0.00 C ATOM 742 OE1 GLU A 58 -7.632 -1.764 7.067 1.00 0.00 O ATOM 743 OE2 GLU A 58 -7.491 -3.817 6.295 1.00 0.00 O ATOM 0 H GLU A 58 -2.390 -1.128 6.670 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.044 -0.218 5.716 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.232 -1.703 8.244 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.806 -0.968 8.017 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.040 -2.726 5.788 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.083 -3.562 7.327 1.00 0.00 H new ATOM 750 N MET A 59 -4.833 1.952 6.852 1.00 0.00 N ATOM 751 CA MET A 59 -4.707 3.264 7.472 1.00 0.00 C ATOM 752 C MET A 59 -5.764 3.447 8.554 1.00 0.00 C ATOM 753 O MET A 59 -6.939 3.143 8.342 1.00 0.00 O ATOM 754 CB MET A 59 -4.840 4.365 6.417 1.00 0.00 C ATOM 755 CG MET A 59 -3.929 4.169 5.214 1.00 0.00 C ATOM 756 SD MET A 59 -2.357 3.401 5.646 1.00 0.00 S ATOM 757 CE MET A 59 -1.463 4.803 6.312 1.00 0.00 C ATOM 0 H MET A 59 -5.505 1.910 6.086 1.00 0.00 H new ATOM 0 HA MET A 59 -3.721 3.334 7.932 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.874 4.407 6.076 1.00 0.00 H new ATOM 0 HB3 MET A 59 -4.617 5.327 6.878 1.00 0.00 H new ATOM 0 HG2 MET A 59 -4.439 3.551 4.475 1.00 0.00 H new ATOM 0 HG3 MET A 59 -3.740 5.135 4.746 1.00 0.00 H new ATOM 0 HE1 MET A 59 -0.435 4.511 6.525 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.467 5.615 5.585 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.943 5.137 7.232 1.00 0.00 H new ATOM 767 N ASN A 60 -5.345 3.940 9.716 1.00 0.00 N ATOM 768 CA ASN A 60 -6.273 4.151 10.823 1.00 0.00 C ATOM 769 C ASN A 60 -7.198 5.330 10.541 1.00 0.00 C ATOM 770 O ASN A 60 -8.302 5.407 11.080 1.00 0.00 O ATOM 771 CB ASN A 60 -5.525 4.387 12.140 1.00 0.00 C ATOM 772 CG ASN A 60 -4.287 3.528 12.288 1.00 0.00 C ATOM 773 OD1 ASN A 60 -4.312 2.499 12.962 1.00 0.00 O ATOM 774 ND2 ASN A 60 -3.197 3.943 11.659 1.00 0.00 N ATOM 0 H ASN A 60 -4.379 4.199 9.915 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.871 3.245 10.920 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.240 5.437 12.205 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.199 4.188 12.973 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.334 3.403 11.723 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.221 4.803 11.111 1.00 0.00 H new ATOM 781 N THR A 61 -6.742 6.247 9.694 1.00 0.00 N ATOM 782 CA THR A 61 -7.533 7.421 9.345 1.00 0.00 C ATOM 783 C THR A 61 -7.708 7.538 7.835 1.00 0.00 C ATOM 784 O THR A 61 -6.738 7.482 7.081 1.00 0.00 O ATOM 785 CB THR A 61 -6.889 8.714 9.877 1.00 0.00 C ATOM 786 OG1 THR A 61 -7.729 9.837 9.584 1.00 0.00 O ATOM 787 CG2 THR A 61 -5.516 8.928 9.260 1.00 0.00 C ATOM 0 H THR A 61 -5.831 6.200 9.238 1.00 0.00 H new ATOM 0 HA THR A 61 -8.509 7.292 9.813 1.00 0.00 H new ATOM 0 HB THR A 61 -6.774 8.618 10.957 1.00 0.00 H new ATOM 0 HG1 THR A 61 -7.313 10.655 9.927 1.00 0.00 H new ATOM 0 HG21 THR A 61 -5.081 9.848 9.651 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.870 8.086 9.509 1.00 0.00 H new ATOM 0 HG23 THR A 61 -5.612 9.004 8.177 1.00 0.00 H new ATOM 795 N GLU A 62 -8.954 7.702 7.402 1.00 0.00 N ATOM 796 CA GLU A 62 -9.260 7.828 5.982 1.00 0.00 C ATOM 797 C GLU A 62 -8.281 8.776 5.298 1.00 0.00 C ATOM 798 O GLU A 62 -7.864 8.541 4.164 1.00 0.00 O ATOM 799 CB GLU A 62 -10.692 8.331 5.794 1.00 0.00 C ATOM 800 CG GLU A 62 -11.750 7.286 6.105 1.00 0.00 C ATOM 801 CD GLU A 62 -12.472 7.558 7.411 1.00 0.00 C ATOM 802 OE1 GLU A 62 -12.988 8.681 7.579 1.00 0.00 O ATOM 803 OE2 GLU A 62 -12.521 6.647 8.263 1.00 0.00 O ATOM 0 H GLU A 62 -9.768 7.751 8.015 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.164 6.844 5.524 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.851 9.198 6.435 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.818 8.668 4.765 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.476 7.256 5.292 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.282 6.303 6.151 1.00 0.00 H new ATOM 810 N GLU A 63 -7.918 9.847 5.995 1.00 0.00 N ATOM 811 CA GLU A 63 -6.987 10.830 5.455 1.00 0.00 C ATOM 812 C GLU A 63 -5.652 10.181 5.109 1.00 0.00 C ATOM 813 O GLU A 63 -4.927 10.657 4.235 1.00 0.00 O ATOM 814 CB GLU A 63 -6.771 11.963 6.460 1.00 0.00 C ATOM 815 CG GLU A 63 -7.674 13.163 6.228 1.00 0.00 C ATOM 816 CD GLU A 63 -7.143 14.427 6.876 1.00 0.00 C ATOM 817 OE1 GLU A 63 -7.322 14.585 8.102 1.00 0.00 O ATOM 818 OE2 GLU A 63 -6.548 15.257 6.158 1.00 0.00 O ATOM 0 H GLU A 63 -8.254 10.056 6.935 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.419 11.240 4.542 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.940 11.581 7.467 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.731 12.287 6.412 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.785 13.328 5.156 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.667 12.947 6.622 1.00 0.00 H new ATOM 825 N ALA A 64 -5.334 9.089 5.797 1.00 0.00 N ATOM 826 CA ALA A 64 -4.087 8.374 5.559 1.00 0.00 C ATOM 827 C ALA A 64 -4.166 7.545 4.282 1.00 0.00 C ATOM 828 O ALA A 64 -3.297 7.639 3.415 1.00 0.00 O ATOM 829 CB ALA A 64 -3.751 7.487 6.749 1.00 0.00 C ATOM 0 H ALA A 64 -5.923 8.681 6.523 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.292 9.110 5.434 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.817 6.959 6.557 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.643 8.102 7.642 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.552 6.764 6.901 1.00 0.00 H new ATOM 835 N ALA A 65 -5.215 6.738 4.170 1.00 0.00 N ATOM 836 CA ALA A 65 -5.409 5.895 2.996 1.00 0.00 C ATOM 837 C ALA A 65 -5.445 6.731 1.721 1.00 0.00 C ATOM 838 O ALA A 65 -4.578 6.601 0.856 1.00 0.00 O ATOM 839 CB ALA A 65 -6.689 5.086 3.134 1.00 0.00 C ATOM 0 H ALA A 65 -5.944 6.650 4.878 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.564 5.210 2.927 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.822 4.461 2.251 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.626 4.454 4.020 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.538 5.762 3.231 1.00 0.00 H new ATOM 845 N ASN A 66 -6.453 7.591 1.612 1.00 0.00 N ATOM 846 CA ASN A 66 -6.601 8.449 0.442 1.00 0.00 C ATOM 847 C ASN A 66 -5.264 9.070 0.055 1.00 0.00 C ATOM 848 O ASN A 66 -4.769 8.862 -1.052 1.00 0.00 O ATOM 849 CB ASN A 66 -7.626 9.551 0.718 1.00 0.00 C ATOM 850 CG ASN A 66 -8.935 9.318 -0.011 1.00 0.00 C ATOM 851 OD1 ASN A 66 -8.947 8.959 -1.189 1.00 0.00 O ATOM 852 ND2 ASN A 66 -10.046 9.522 0.686 1.00 0.00 N ATOM 0 H ASN A 66 -7.178 7.712 2.319 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.952 7.835 -0.387 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.815 9.607 1.790 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.211 10.513 0.416 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.956 9.382 0.248 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -9.990 9.819 1.660 1.00 0.00 H new ATOM 859 N THR A 67 -4.682 9.833 0.975 1.00 0.00 N ATOM 860 CA THR A 67 -3.401 10.480 0.729 1.00 0.00 C ATOM 861 C THR A 67 -2.392 9.494 0.151 1.00 0.00 C ATOM 862 O THR A 67 -1.571 9.850 -0.692 1.00 0.00 O ATOM 863 CB THR A 67 -2.822 11.092 2.018 1.00 0.00 C ATOM 864 OG1 THR A 67 -3.762 12.009 2.591 1.00 0.00 O ATOM 865 CG2 THR A 67 -1.512 11.813 1.735 1.00 0.00 C ATOM 0 H THR A 67 -5.078 10.017 1.897 1.00 0.00 H new ATOM 0 HA THR A 67 -3.583 11.277 0.008 1.00 0.00 H new ATOM 0 HB THR A 67 -2.628 10.283 2.722 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.493 11.509 3.011 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.123 12.237 2.661 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.789 11.107 1.327 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.685 12.612 1.015 1.00 0.00 H new ATOM 873 N MET A 68 -2.464 8.248 0.612 1.00 0.00 N ATOM 874 CA MET A 68 -1.559 7.206 0.140 1.00 0.00 C ATOM 875 C MET A 68 -1.547 7.143 -1.384 1.00 0.00 C ATOM 876 O MET A 68 -0.514 7.365 -2.016 1.00 0.00 O ATOM 877 CB MET A 68 -1.970 5.849 0.715 1.00 0.00 C ATOM 878 CG MET A 68 -0.859 4.814 0.681 1.00 0.00 C ATOM 879 SD MET A 68 0.402 5.107 1.936 1.00 0.00 S ATOM 880 CE MET A 68 1.779 4.189 1.251 1.00 0.00 C ATOM 0 H MET A 68 -3.139 7.937 1.311 1.00 0.00 H new ATOM 0 HA MET A 68 -0.553 7.450 0.482 1.00 0.00 H new ATOM 0 HB2 MET A 68 -2.298 5.984 1.746 1.00 0.00 H new ATOM 0 HB3 MET A 68 -2.825 5.470 0.156 1.00 0.00 H new ATOM 0 HG2 MET A 68 -1.287 3.822 0.826 1.00 0.00 H new ATOM 0 HG3 MET A 68 -0.393 4.819 -0.304 1.00 0.00 H new ATOM 0 HE1 MET A 68 2.708 4.532 1.707 1.00 0.00 H new ATOM 0 HE2 MET A 68 1.645 3.127 1.455 1.00 0.00 H new ATOM 0 HE3 MET A 68 1.823 4.349 0.174 1.00 0.00 H new ATOM 890 N VAL A 69 -2.701 6.837 -1.965 1.00 0.00 N ATOM 891 CA VAL A 69 -2.826 6.741 -3.414 1.00 0.00 C ATOM 892 C VAL A 69 -2.903 8.122 -4.058 1.00 0.00 C ATOM 893 O VAL A 69 -2.724 8.264 -5.267 1.00 0.00 O ATOM 894 CB VAL A 69 -4.075 5.932 -3.815 1.00 0.00 C ATOM 895 CG1 VAL A 69 -4.143 5.769 -5.325 1.00 0.00 C ATOM 896 CG2 VAL A 69 -4.076 4.579 -3.123 1.00 0.00 C ATOM 0 H VAL A 69 -3.564 6.651 -1.454 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.934 6.228 -3.773 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.961 6.479 -3.493 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.031 5.195 -5.589 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.192 6.751 -5.795 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.254 5.243 -5.675 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.965 4.021 -3.417 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.185 4.022 -3.412 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.079 4.723 -2.043 1.00 0.00 H new ATOM 906 N ASN A 70 -3.175 9.135 -3.244 1.00 0.00 N ATOM 907 CA ASN A 70 -3.279 10.505 -3.738 1.00 0.00 C ATOM 908 C ASN A 70 -1.900 11.098 -4.009 1.00 0.00 C ATOM 909 O ASN A 70 -1.564 11.414 -5.151 1.00 0.00 O ATOM 910 CB ASN A 70 -4.031 11.375 -2.729 1.00 0.00 C ATOM 911 CG ASN A 70 -4.650 12.600 -3.372 1.00 0.00 C ATOM 912 OD1 ASN A 70 -4.035 13.251 -4.216 1.00 0.00 O ATOM 913 ND2 ASN A 70 -5.877 12.920 -2.975 1.00 0.00 N ATOM 0 H ASN A 70 -3.328 9.035 -2.240 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.833 10.483 -4.677 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -4.813 10.783 -2.254 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -3.346 11.688 -1.941 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.346 13.734 -3.373 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.350 12.352 -2.272 1.00 0.00 H new ATOM 920 N TYR A 71 -1.107 11.249 -2.954 1.00 0.00 N ATOM 921 CA TYR A 71 0.235 11.806 -3.079 1.00 0.00 C ATOM 922 C TYR A 71 1.073 11.004 -4.069 1.00 0.00 C ATOM 923 O TYR A 71 1.855 11.567 -4.834 1.00 0.00 O ATOM 924 CB TYR A 71 0.927 11.835 -1.715 1.00 0.00 C ATOM 925 CG TYR A 71 2.288 12.495 -1.740 1.00 0.00 C ATOM 926 CD1 TYR A 71 2.408 13.876 -1.825 1.00 0.00 C ATOM 927 CD2 TYR A 71 3.450 11.736 -1.681 1.00 0.00 C ATOM 928 CE1 TYR A 71 3.650 14.483 -1.849 1.00 0.00 C ATOM 929 CE2 TYR A 71 4.695 12.336 -1.704 1.00 0.00 C ATOM 930 CZ TYR A 71 4.789 13.709 -1.788 1.00 0.00 C ATOM 931 OH TYR A 71 6.027 14.310 -1.812 1.00 0.00 O ATOM 0 H TYR A 71 -1.370 10.993 -2.002 1.00 0.00 H new ATOM 0 HA TYR A 71 0.141 12.825 -3.455 1.00 0.00 H new ATOM 0 HB2 TYR A 71 0.290 12.362 -1.005 1.00 0.00 H new ATOM 0 HB3 TYR A 71 1.034 10.814 -1.350 1.00 0.00 H new ATOM 0 HD1 TYR A 71 1.517 14.485 -1.873 1.00 0.00 H new ATOM 0 HD2 TYR A 71 3.380 10.660 -1.616 1.00 0.00 H new ATOM 0 HE1 TYR A 71 3.727 15.558 -1.915 1.00 0.00 H new ATOM 0 HE2 TYR A 71 5.589 11.733 -1.656 1.00 0.00 H new ATOM 0 HH TYR A 71 6.725 13.624 -1.760 1.00 0.00 H new ATOM 941 N TYR A 72 0.907 9.686 -4.048 1.00 0.00 N ATOM 942 CA TYR A 72 1.651 8.808 -4.943 1.00 0.00 C ATOM 943 C TYR A 72 0.962 8.696 -6.299 1.00 0.00 C ATOM 944 O TYR A 72 1.299 7.832 -7.108 1.00 0.00 O ATOM 945 CB TYR A 72 1.803 7.419 -4.317 1.00 0.00 C ATOM 946 CG TYR A 72 2.660 7.407 -3.073 1.00 0.00 C ATOM 947 CD1 TYR A 72 3.883 8.067 -3.042 1.00 0.00 C ATOM 948 CD2 TYR A 72 2.248 6.737 -1.928 1.00 0.00 C ATOM 949 CE1 TYR A 72 4.670 8.058 -1.906 1.00 0.00 C ATOM 950 CE2 TYR A 72 3.029 6.725 -0.787 1.00 0.00 C ATOM 951 CZ TYR A 72 4.238 7.386 -0.783 1.00 0.00 C ATOM 952 OH TYR A 72 5.020 7.377 0.351 1.00 0.00 O ATOM 0 H TYR A 72 0.264 9.202 -3.421 1.00 0.00 H new ATOM 0 HA TYR A 72 2.639 9.241 -5.096 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.815 7.030 -4.071 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.237 6.743 -5.054 1.00 0.00 H new ATOM 0 HD1 TYR A 72 4.224 8.595 -3.920 1.00 0.00 H new ATOM 0 HD2 TYR A 72 1.302 6.217 -1.929 1.00 0.00 H new ATOM 0 HE1 TYR A 72 5.618 8.575 -1.898 1.00 0.00 H new ATOM 0 HE2 TYR A 72 2.693 6.201 0.096 1.00 0.00 H new ATOM 0 HH TYR A 72 4.445 7.368 1.145 1.00 0.00 H new ATOM 962 N THR A 73 -0.004 9.578 -6.542 1.00 0.00 N ATOM 963 CA THR A 73 -0.737 9.577 -7.802 1.00 0.00 C ATOM 964 C THR A 73 0.164 9.988 -8.962 1.00 0.00 C ATOM 965 O THR A 73 0.020 9.489 -10.078 1.00 0.00 O ATOM 966 CB THR A 73 -1.949 10.527 -7.747 1.00 0.00 C ATOM 967 OG1 THR A 73 -2.815 10.155 -6.668 1.00 0.00 O ATOM 968 CG2 THR A 73 -2.722 10.494 -9.057 1.00 0.00 C ATOM 0 H THR A 73 -0.296 10.300 -5.884 1.00 0.00 H new ATOM 0 HA THR A 73 -1.090 8.558 -7.962 1.00 0.00 H new ATOM 0 HB THR A 73 -1.581 11.540 -7.585 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.656 9.218 -6.429 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.573 11.172 -8.995 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.069 10.805 -9.873 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.078 9.481 -9.244 1.00 0.00 H new ATOM 976 N SER A 74 1.092 10.899 -8.689 1.00 0.00 N ATOM 977 CA SER A 74 2.018 11.376 -9.710 1.00 0.00 C ATOM 978 C SER A 74 3.445 10.941 -9.395 1.00 0.00 C ATOM 979 O SER A 74 4.196 10.548 -10.289 1.00 0.00 O ATOM 980 CB SER A 74 1.949 12.900 -9.819 1.00 0.00 C ATOM 981 OG SER A 74 0.717 13.393 -9.321 1.00 0.00 O ATOM 0 H SER A 74 1.223 11.322 -7.770 1.00 0.00 H new ATOM 0 HA SER A 74 1.726 10.937 -10.664 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.774 13.345 -9.262 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.069 13.199 -10.860 1.00 0.00 H new ATOM 0 HG SER A 74 0.699 14.370 -9.401 1.00 0.00 H new ATOM 987 N VAL A 75 3.813 11.013 -8.121 1.00 0.00 N ATOM 988 CA VAL A 75 5.150 10.627 -7.688 1.00 0.00 C ATOM 989 C VAL A 75 5.182 9.165 -7.247 1.00 0.00 C ATOM 990 O VAL A 75 4.155 8.594 -6.880 1.00 0.00 O ATOM 991 CB VAL A 75 5.659 11.529 -6.540 1.00 0.00 C ATOM 992 CG1 VAL A 75 5.141 12.949 -6.711 1.00 0.00 C ATOM 993 CG2 VAL A 75 5.259 10.972 -5.181 1.00 0.00 C ATOM 0 H VAL A 75 3.203 11.335 -7.369 1.00 0.00 H new ATOM 0 HA VAL A 75 5.812 10.754 -8.545 1.00 0.00 H new ATOM 0 HB VAL A 75 6.748 11.547 -6.584 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.508 13.571 -5.895 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.492 13.352 -7.661 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.051 12.942 -6.700 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.632 11.629 -4.395 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.173 10.911 -5.118 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.686 9.977 -5.056 1.00 0.00 H new ATOM 1003 N THR A 76 6.367 8.567 -7.287 1.00 0.00 N ATOM 1004 CA THR A 76 6.535 7.179 -6.896 1.00 0.00 C ATOM 1005 C THR A 76 7.563 7.053 -5.773 1.00 0.00 C ATOM 1006 O THR A 76 8.520 7.825 -5.707 1.00 0.00 O ATOM 1007 CB THR A 76 6.979 6.322 -8.097 1.00 0.00 C ATOM 1008 OG1 THR A 76 5.853 6.023 -8.929 1.00 0.00 O ATOM 1009 CG2 THR A 76 7.627 5.031 -7.633 1.00 0.00 C ATOM 0 H THR A 76 7.226 9.027 -7.588 1.00 0.00 H new ATOM 0 HA THR A 76 5.571 6.817 -6.538 1.00 0.00 H new ATOM 0 HB THR A 76 7.712 6.892 -8.668 1.00 0.00 H new ATOM 0 HG1 THR A 76 6.028 5.201 -9.433 1.00 0.00 H new ATOM 0 HG21 THR A 76 7.931 4.445 -8.500 1.00 0.00 H new ATOM 0 HG22 THR A 76 8.502 5.261 -7.025 1.00 0.00 H new ATOM 0 HG23 THR A 76 6.914 4.459 -7.040 1.00 0.00 H new ATOM 1017 N PRO A 77 7.379 6.073 -4.871 1.00 0.00 N ATOM 1018 CA PRO A 77 8.275 5.838 -3.756 1.00 0.00 C ATOM 1019 C PRO A 77 9.304 4.750 -4.056 1.00 0.00 C ATOM 1020 O PRO A 77 9.185 3.623 -3.576 1.00 0.00 O ATOM 1021 CB PRO A 77 7.315 5.378 -2.656 1.00 0.00 C ATOM 1022 CG PRO A 77 6.073 4.898 -3.363 1.00 0.00 C ATOM 1023 CD PRO A 77 6.284 5.105 -4.842 1.00 0.00 C ATOM 0 HA PRO A 77 8.866 6.718 -3.501 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.758 4.580 -2.060 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.084 6.195 -1.973 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.891 3.846 -3.145 1.00 0.00 H new ATOM 0 HG3 PRO A 77 5.199 5.451 -3.019 1.00 0.00 H new ATOM 0 HD2 PRO A 77 6.549 4.177 -5.348 1.00 0.00 H new ATOM 0 HD3 PRO A 77 5.389 5.490 -5.330 1.00 0.00 H new ATOM 1031 N VAL A 78 10.310 5.094 -4.853 1.00 0.00 N ATOM 1032 CA VAL A 78 11.356 4.144 -5.213 1.00 0.00 C ATOM 1033 C VAL A 78 12.260 3.841 -4.023 1.00 0.00 C ATOM 1034 O VAL A 78 12.338 4.625 -3.076 1.00 0.00 O ATOM 1035 CB VAL A 78 12.216 4.670 -6.376 1.00 0.00 C ATOM 1036 CG1 VAL A 78 13.109 3.569 -6.924 1.00 0.00 C ATOM 1037 CG2 VAL A 78 11.331 5.244 -7.473 1.00 0.00 C ATOM 0 H VAL A 78 10.423 6.022 -5.261 1.00 0.00 H new ATOM 0 HA VAL A 78 10.855 3.228 -5.526 1.00 0.00 H new ATOM 0 HB VAL A 78 12.856 5.468 -5.999 1.00 0.00 H new ATOM 0 HG11 VAL A 78 13.709 3.962 -7.745 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.768 3.208 -6.134 1.00 0.00 H new ATOM 0 HG13 VAL A 78 12.492 2.747 -7.286 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.954 5.612 -8.288 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.665 4.466 -7.848 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.739 6.066 -7.070 1.00 0.00 H new ATOM 1047 N LEU A 79 12.939 2.700 -4.075 1.00 0.00 N ATOM 1048 CA LEU A 79 13.835 2.293 -2.997 1.00 0.00 C ATOM 1049 C LEU A 79 15.133 1.712 -3.551 1.00 0.00 C ATOM 1050 O LEU A 79 15.134 0.648 -4.171 1.00 0.00 O ATOM 1051 CB LEU A 79 13.149 1.264 -2.098 1.00 0.00 C ATOM 1052 CG LEU A 79 11.776 1.677 -1.571 1.00 0.00 C ATOM 1053 CD1 LEU A 79 11.151 0.545 -0.772 1.00 0.00 C ATOM 1054 CD2 LEU A 79 11.887 2.933 -0.719 1.00 0.00 C ATOM 0 H LEU A 79 12.886 2.041 -4.851 1.00 0.00 H new ATOM 0 HA LEU A 79 14.077 3.179 -2.410 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.042 0.332 -2.654 1.00 0.00 H new ATOM 0 HB3 LEU A 79 13.799 1.056 -1.249 1.00 0.00 H new ATOM 0 HG LEU A 79 11.131 1.895 -2.422 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.173 0.856 -0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.036 -0.331 -1.410 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.794 0.297 0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.899 3.212 -0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 79 12.547 2.742 0.127 1.00 0.00 H new ATOM 0 HD23 LEU A 79 12.294 3.746 -1.320 1.00 0.00 H new ATOM 1066 N ARG A 80 16.236 2.414 -3.318 1.00 0.00 N ATOM 1067 CA ARG A 80 17.543 1.967 -3.788 1.00 0.00 C ATOM 1068 C ARG A 80 17.509 1.640 -5.277 1.00 0.00 C ATOM 1069 O ARG A 80 18.368 0.919 -5.784 1.00 0.00 O ATOM 1070 CB ARG A 80 17.998 0.738 -2.996 1.00 0.00 C ATOM 1071 CG ARG A 80 19.055 1.046 -1.949 1.00 0.00 C ATOM 1072 CD ARG A 80 18.989 0.069 -0.787 1.00 0.00 C ATOM 1073 NE ARG A 80 20.185 -0.764 -0.703 1.00 0.00 N ATOM 1074 CZ ARG A 80 20.558 -1.409 0.399 1.00 0.00 C ATOM 1075 NH1 ARG A 80 19.827 -1.319 1.501 1.00 0.00 N ATOM 1076 NH2 ARG A 80 21.660 -2.145 0.397 1.00 0.00 N ATOM 0 H ARG A 80 16.252 3.296 -2.806 1.00 0.00 H new ATOM 0 HA ARG A 80 18.253 2.779 -3.631 1.00 0.00 H new ATOM 0 HB2 ARG A 80 17.133 0.291 -2.506 1.00 0.00 H new ATOM 0 HB3 ARG A 80 18.391 -0.006 -3.689 1.00 0.00 H new ATOM 0 HG2 ARG A 80 20.044 1.004 -2.405 1.00 0.00 H new ATOM 0 HG3 ARG A 80 18.917 2.062 -1.580 1.00 0.00 H new ATOM 0 HD2 ARG A 80 18.866 0.622 0.144 1.00 0.00 H new ATOM 0 HD3 ARG A 80 18.111 -0.568 -0.898 1.00 0.00 H new ATOM 0 HE ARG A 80 20.767 -0.857 -1.536 1.00 0.00 H new ATOM 0 HH11 ARG A 80 18.977 -0.755 1.505 1.00 0.00 H new ATOM 0 HH12 ARG A 80 20.114 -1.814 2.345 1.00 0.00 H new ATOM 0 HH21 ARG A 80 22.223 -2.217 -0.450 1.00 0.00 H new ATOM 0 HH22 ARG A 80 21.945 -2.639 1.243 1.00 0.00 H new ATOM 1090 N GLY A 81 16.514 2.178 -5.975 1.00 0.00 N ATOM 1091 CA GLY A 81 16.393 1.932 -7.400 1.00 0.00 C ATOM 1092 C GLY A 81 15.267 0.972 -7.734 1.00 0.00 C ATOM 1093 O GLY A 81 15.134 0.536 -8.877 1.00 0.00 O ATOM 0 H GLY A 81 15.791 2.779 -5.580 1.00 0.00 H new ATOM 0 HA2 GLY A 81 16.224 2.878 -7.915 1.00 0.00 H new ATOM 0 HA3 GLY A 81 17.333 1.528 -7.776 1.00 0.00 H new ATOM 1097 N GLN A 82 14.456 0.643 -6.734 1.00 0.00 N ATOM 1098 CA GLN A 82 13.336 -0.270 -6.931 1.00 0.00 C ATOM 1099 C GLN A 82 12.008 0.476 -6.853 1.00 0.00 C ATOM 1100 O GLN A 82 11.489 0.731 -5.767 1.00 0.00 O ATOM 1101 CB GLN A 82 13.370 -1.385 -5.884 1.00 0.00 C ATOM 1102 CG GLN A 82 12.438 -2.544 -6.199 1.00 0.00 C ATOM 1103 CD GLN A 82 12.733 -3.180 -7.542 1.00 0.00 C ATOM 1104 OE1 GLN A 82 12.245 -2.727 -8.578 1.00 0.00 O ATOM 1105 NE2 GLN A 82 13.534 -4.239 -7.533 1.00 0.00 N ATOM 0 H GLN A 82 14.553 0.994 -5.781 1.00 0.00 H new ATOM 0 HA GLN A 82 13.428 -0.711 -7.924 1.00 0.00 H new ATOM 0 HB2 GLN A 82 14.389 -1.762 -5.800 1.00 0.00 H new ATOM 0 HB3 GLN A 82 13.103 -0.968 -4.913 1.00 0.00 H new ATOM 0 HG2 GLN A 82 12.525 -3.298 -5.417 1.00 0.00 H new ATOM 0 HG3 GLN A 82 11.407 -2.190 -6.187 1.00 0.00 H new ATOM 0 HE21 GLN A 82 13.917 -4.581 -6.652 1.00 0.00 H new ATOM 0 HE22 GLN A 82 13.767 -4.710 -8.407 1.00 0.00 H new ATOM 1114 N PRO A 83 11.445 0.839 -8.015 1.00 0.00 N ATOM 1115 CA PRO A 83 10.175 1.565 -8.095 1.00 0.00 C ATOM 1116 C PRO A 83 8.985 0.703 -7.686 1.00 0.00 C ATOM 1117 O PRO A 83 8.786 -0.390 -8.216 1.00 0.00 O ATOM 1118 CB PRO A 83 10.062 1.952 -9.578 1.00 0.00 C ATOM 1119 CG PRO A 83 11.406 1.678 -10.169 1.00 0.00 C ATOM 1120 CD PRO A 83 12.005 0.578 -9.344 1.00 0.00 C ATOM 0 HA PRO A 83 10.161 2.419 -7.417 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.288 1.369 -10.077 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.792 3.002 -9.689 1.00 0.00 H new ATOM 0 HG2 PRO A 83 11.319 1.379 -11.214 1.00 0.00 H new ATOM 0 HG3 PRO A 83 12.032 2.570 -10.144 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.725 -0.407 -9.716 1.00 0.00 H new ATOM 0 HD3 PRO A 83 13.094 0.620 -9.341 1.00 0.00 H new ATOM 1128 N ILE A 84 8.194 1.205 -6.744 1.00 0.00 N ATOM 1129 CA ILE A 84 7.018 0.482 -6.270 1.00 0.00 C ATOM 1130 C ILE A 84 5.817 1.416 -6.157 1.00 0.00 C ATOM 1131 O ILE A 84 5.755 2.259 -5.263 1.00 0.00 O ATOM 1132 CB ILE A 84 7.279 -0.186 -4.906 1.00 0.00 C ATOM 1133 CG1 ILE A 84 7.734 0.849 -3.875 1.00 0.00 C ATOM 1134 CG2 ILE A 84 8.319 -1.287 -5.048 1.00 0.00 C ATOM 1135 CD1 ILE A 84 8.234 0.235 -2.584 1.00 0.00 C ATOM 0 H ILE A 84 8.345 2.108 -6.294 1.00 0.00 H new ATOM 0 HA ILE A 84 6.801 -0.296 -7.002 1.00 0.00 H new ATOM 0 HB ILE A 84 6.347 -0.629 -4.556 1.00 0.00 H new ATOM 0 HG12 ILE A 84 8.526 1.459 -4.309 1.00 0.00 H new ATOM 0 HG13 ILE A 84 6.903 1.518 -3.652 1.00 0.00 H new ATOM 0 HG21 ILE A 84 8.493 -1.750 -4.077 1.00 0.00 H new ATOM 0 HG22 ILE A 84 7.959 -2.040 -5.749 1.00 0.00 H new ATOM 0 HG23 ILE A 84 9.251 -0.861 -5.420 1.00 0.00 H new ATOM 0 HD11 ILE A 84 8.540 1.026 -1.899 1.00 0.00 H new ATOM 0 HD12 ILE A 84 7.437 -0.352 -2.127 1.00 0.00 H new ATOM 0 HD13 ILE A 84 9.086 -0.412 -2.795 1.00 0.00 H new ATOM 1147 N TYR A 85 4.868 1.262 -7.076 1.00 0.00 N ATOM 1148 CA TYR A 85 3.671 2.097 -7.090 1.00 0.00 C ATOM 1149 C TYR A 85 2.697 1.692 -5.988 1.00 0.00 C ATOM 1150 O TYR A 85 2.650 0.531 -5.581 1.00 0.00 O ATOM 1151 CB TYR A 85 2.978 2.008 -8.451 1.00 0.00 C ATOM 1152 CG TYR A 85 3.663 2.811 -9.535 1.00 0.00 C ATOM 1153 CD1 TYR A 85 5.038 2.734 -9.718 1.00 0.00 C ATOM 1154 CD2 TYR A 85 2.935 3.645 -10.373 1.00 0.00 C ATOM 1155 CE1 TYR A 85 5.667 3.467 -10.706 1.00 0.00 C ATOM 1156 CE2 TYR A 85 3.557 4.381 -11.364 1.00 0.00 C ATOM 1157 CZ TYR A 85 4.923 4.287 -11.527 1.00 0.00 C ATOM 1158 OH TYR A 85 5.547 5.019 -12.512 1.00 0.00 O ATOM 0 H TYR A 85 4.905 0.566 -7.821 1.00 0.00 H new ATOM 0 HA TYR A 85 3.983 3.126 -6.909 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.933 0.963 -8.758 1.00 0.00 H new ATOM 0 HB3 TYR A 85 1.950 2.355 -8.349 1.00 0.00 H new ATOM 0 HD1 TYR A 85 5.624 2.091 -9.078 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.865 3.720 -10.248 1.00 0.00 H new ATOM 0 HE1 TYR A 85 6.737 3.398 -10.834 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.976 5.026 -12.007 1.00 0.00 H new ATOM 0 HH TYR A 85 4.880 5.544 -13.002 1.00 0.00 H new ATOM 1168 N ILE A 86 1.921 2.661 -5.513 1.00 0.00 N ATOM 1169 CA ILE A 86 0.945 2.422 -4.462 1.00 0.00 C ATOM 1170 C ILE A 86 -0.442 2.893 -4.900 1.00 0.00 C ATOM 1171 O ILE A 86 -0.632 4.062 -5.235 1.00 0.00 O ATOM 1172 CB ILE A 86 1.354 3.142 -3.159 1.00 0.00 C ATOM 1173 CG1 ILE A 86 2.468 2.367 -2.454 1.00 0.00 C ATOM 1174 CG2 ILE A 86 0.159 3.316 -2.237 1.00 0.00 C ATOM 1175 CD1 ILE A 86 3.563 3.252 -1.899 1.00 0.00 C ATOM 0 H ILE A 86 1.952 3.625 -5.844 1.00 0.00 H new ATOM 0 HA ILE A 86 0.912 1.349 -4.273 1.00 0.00 H new ATOM 0 HB ILE A 86 1.727 4.133 -3.417 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.036 1.785 -1.640 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.906 1.658 -3.156 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.473 3.826 -1.326 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.605 3.909 -2.740 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.250 2.338 -1.983 1.00 0.00 H new ATOM 0 HD11 ILE A 86 4.319 2.635 -1.413 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.022 3.815 -2.711 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.138 3.944 -1.172 1.00 0.00 H new ATOM 1187 N GLN A 87 -1.405 1.976 -4.897 1.00 0.00 N ATOM 1188 CA GLN A 87 -2.770 2.302 -5.296 1.00 0.00 C ATOM 1189 C GLN A 87 -3.779 1.796 -4.270 1.00 0.00 C ATOM 1190 O GLN A 87 -3.430 1.044 -3.360 1.00 0.00 O ATOM 1191 CB GLN A 87 -3.079 1.703 -6.669 1.00 0.00 C ATOM 1192 CG GLN A 87 -3.314 2.745 -7.750 1.00 0.00 C ATOM 1193 CD GLN A 87 -2.273 2.686 -8.851 1.00 0.00 C ATOM 1194 OE1 GLN A 87 -1.236 3.344 -8.778 1.00 0.00 O ATOM 1195 NE2 GLN A 87 -2.548 1.894 -9.882 1.00 0.00 N ATOM 0 H GLN A 87 -1.266 1.003 -4.623 1.00 0.00 H new ATOM 0 HA GLN A 87 -2.853 3.387 -5.352 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -2.252 1.060 -6.970 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.962 1.069 -6.589 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -4.304 2.598 -8.182 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -3.307 3.738 -7.300 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -3.421 1.366 -9.901 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -1.886 1.814 -10.654 1.00 0.00 H new ATOM 1204 N PHE A 88 -5.031 2.214 -4.424 1.00 0.00 N ATOM 1205 CA PHE A 88 -6.095 1.804 -3.514 1.00 0.00 C ATOM 1206 C PHE A 88 -6.332 0.300 -3.592 1.00 0.00 C ATOM 1207 O PHE A 88 -5.660 -0.406 -4.345 1.00 0.00 O ATOM 1208 CB PHE A 88 -7.389 2.552 -3.837 1.00 0.00 C ATOM 1209 CG PHE A 88 -7.363 3.999 -3.436 1.00 0.00 C ATOM 1210 CD1 PHE A 88 -7.370 4.361 -2.098 1.00 0.00 C ATOM 1211 CD2 PHE A 88 -7.331 4.998 -4.396 1.00 0.00 C ATOM 1212 CE1 PHE A 88 -7.346 5.692 -1.727 1.00 0.00 C ATOM 1213 CE2 PHE A 88 -7.307 6.330 -4.031 1.00 0.00 C ATOM 1214 CZ PHE A 88 -7.314 6.677 -2.694 1.00 0.00 C ATOM 0 H PHE A 88 -5.334 2.838 -5.172 1.00 0.00 H new ATOM 0 HA PHE A 88 -5.783 2.052 -2.499 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.581 2.484 -4.908 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -8.220 2.059 -3.332 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -7.394 3.595 -1.337 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -7.325 4.732 -5.443 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -7.352 5.962 -0.681 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -7.283 7.099 -4.789 1.00 0.00 H new ATOM 0 HZ PHE A 88 -7.294 7.718 -2.405 1.00 0.00 H new ATOM 1224 N SER A 89 -7.292 -0.184 -2.812 1.00 0.00 N ATOM 1225 CA SER A 89 -7.619 -1.605 -2.793 1.00 0.00 C ATOM 1226 C SER A 89 -9.018 -1.850 -3.348 1.00 0.00 C ATOM 1227 O SER A 89 -9.653 -0.942 -3.884 1.00 0.00 O ATOM 1228 CB SER A 89 -7.520 -2.153 -1.368 1.00 0.00 C ATOM 1229 OG SER A 89 -8.501 -1.571 -0.528 1.00 0.00 O ATOM 0 H SER A 89 -7.858 0.387 -2.184 1.00 0.00 H new ATOM 0 HA SER A 89 -6.901 -2.126 -3.427 1.00 0.00 H new ATOM 0 HB2 SER A 89 -7.645 -3.236 -1.382 1.00 0.00 H new ATOM 0 HB3 SER A 89 -6.527 -1.952 -0.966 1.00 0.00 H new ATOM 0 HG SER A 89 -9.073 -2.275 -0.157 1.00 0.00 H new ATOM 1235 N ASN A 90 -9.493 -3.085 -3.216 1.00 0.00 N ATOM 1236 CA ASN A 90 -10.817 -3.451 -3.704 1.00 0.00 C ATOM 1237 C ASN A 90 -11.651 -4.082 -2.593 1.00 0.00 C ATOM 1238 O ASN A 90 -12.849 -3.825 -2.480 1.00 0.00 O ATOM 1239 CB ASN A 90 -10.699 -4.420 -4.882 1.00 0.00 C ATOM 1240 CG ASN A 90 -9.786 -5.591 -4.578 1.00 0.00 C ATOM 1241 OD1 ASN A 90 -8.688 -5.416 -4.048 1.00 0.00 O ATOM 1242 ND2 ASN A 90 -10.236 -6.795 -4.912 1.00 0.00 N ATOM 0 H ASN A 90 -8.980 -3.849 -2.775 1.00 0.00 H new ATOM 0 HA ASN A 90 -11.318 -2.542 -4.038 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -11.689 -4.793 -5.143 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -10.321 -3.885 -5.753 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -9.665 -7.621 -4.731 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -11.152 -6.894 -5.349 1.00 0.00 H new ATOM 1249 N HIS A 91 -11.008 -4.910 -1.775 1.00 0.00 N ATOM 1250 CA HIS A 91 -11.690 -5.578 -0.673 1.00 0.00 C ATOM 1251 C HIS A 91 -12.106 -4.575 0.399 1.00 0.00 C ATOM 1252 O HIS A 91 -11.976 -3.365 0.214 1.00 0.00 O ATOM 1253 CB HIS A 91 -10.788 -6.651 -0.062 1.00 0.00 C ATOM 1254 CG HIS A 91 -10.855 -7.966 -0.774 1.00 0.00 C ATOM 1255 ND1 HIS A 91 -11.803 -8.927 -0.494 1.00 0.00 N ATOM 1256 CD2 HIS A 91 -10.085 -8.478 -1.764 1.00 0.00 C ATOM 1257 CE1 HIS A 91 -11.614 -9.973 -1.278 1.00 0.00 C ATOM 1258 NE2 HIS A 91 -10.578 -9.726 -2.059 1.00 0.00 N ATOM 0 H HIS A 91 -10.016 -5.134 -1.855 1.00 0.00 H new ATOM 0 HA HIS A 91 -12.588 -6.051 -1.069 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.758 -6.295 -0.069 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -11.067 -6.798 0.981 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -9.241 -7.995 -2.234 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -12.206 -10.876 -1.280 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -10.205 -10.359 -2.766 1.00 0.00 H new ATOM 1267 N LYS A 92 -12.604 -5.087 1.519 1.00 0.00 N ATOM 1268 CA LYS A 92 -13.039 -4.237 2.622 1.00 0.00 C ATOM 1269 C LYS A 92 -12.118 -4.396 3.828 1.00 0.00 C ATOM 1270 O LYS A 92 -11.737 -3.414 4.464 1.00 0.00 O ATOM 1271 CB LYS A 92 -14.477 -4.573 3.016 1.00 0.00 C ATOM 1272 CG LYS A 92 -14.934 -5.943 2.542 1.00 0.00 C ATOM 1273 CD LYS A 92 -16.220 -6.371 3.230 1.00 0.00 C ATOM 1274 CE LYS A 92 -16.059 -7.712 3.928 1.00 0.00 C ATOM 1275 NZ LYS A 92 -14.716 -7.854 4.557 1.00 0.00 N ATOM 0 H LYS A 92 -12.717 -6.087 1.687 1.00 0.00 H new ATOM 0 HA LYS A 92 -12.994 -3.200 2.288 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -14.568 -4.524 4.101 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -15.144 -3.815 2.606 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -15.087 -5.923 1.463 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -14.153 -6.677 2.740 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -16.514 -5.614 3.957 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -17.023 -6.436 2.495 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -16.830 -7.819 4.691 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -16.209 -8.516 3.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -14.797 -8.425 5.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -14.069 -8.323 3.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -14.344 -6.913 4.796 1.00 0.00 H new ATOM 1289 N GLU A 93 -11.766 -5.639 4.136 1.00 0.00 N ATOM 1290 CA GLU A 93 -10.891 -5.927 5.267 1.00 0.00 C ATOM 1291 C GLU A 93 -9.752 -6.855 4.853 1.00 0.00 C ATOM 1292 O GLU A 93 -9.815 -7.501 3.807 1.00 0.00 O ATOM 1293 CB GLU A 93 -11.688 -6.559 6.410 1.00 0.00 C ATOM 1294 CG GLU A 93 -11.223 -6.122 7.790 1.00 0.00 C ATOM 1295 CD GLU A 93 -12.208 -5.190 8.468 1.00 0.00 C ATOM 1296 OE1 GLU A 93 -12.957 -4.494 7.751 1.00 0.00 O ATOM 1297 OE2 GLU A 93 -12.229 -5.156 9.717 1.00 0.00 O ATOM 0 H GLU A 93 -12.073 -6.463 3.619 1.00 0.00 H new ATOM 0 HA GLU A 93 -10.463 -4.985 5.610 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -12.741 -6.303 6.293 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -11.614 -7.644 6.337 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -11.072 -7.003 8.415 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -10.257 -5.624 7.703 1.00 0.00 H new ATOM 1304 N LEU A 94 -8.715 -6.915 5.680 1.00 0.00 N ATOM 1305 CA LEU A 94 -7.562 -7.764 5.400 1.00 0.00 C ATOM 1306 C LEU A 94 -7.859 -9.218 5.752 1.00 0.00 C ATOM 1307 O LEU A 94 -8.130 -9.545 6.908 1.00 0.00 O ATOM 1308 CB LEU A 94 -6.341 -7.276 6.184 1.00 0.00 C ATOM 1309 CG LEU A 94 -5.095 -7.007 5.339 1.00 0.00 C ATOM 1310 CD1 LEU A 94 -4.906 -8.103 4.302 1.00 0.00 C ATOM 1311 CD2 LEU A 94 -5.192 -5.646 4.667 1.00 0.00 C ATOM 0 H LEU A 94 -8.648 -6.386 6.550 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.348 -7.704 4.333 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.609 -6.360 6.711 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.094 -8.019 6.942 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.226 -7.005 5.997 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -4.015 -7.894 3.710 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.791 -9.063 4.804 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.776 -8.138 3.647 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.297 -5.471 4.070 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.070 -5.621 4.022 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.278 -4.870 5.428 1.00 0.00 H new ATOM 1323 N LYS A 95 -7.807 -10.086 4.747 1.00 0.00 N ATOM 1324 CA LYS A 95 -8.070 -11.506 4.951 1.00 0.00 C ATOM 1325 C LYS A 95 -7.031 -12.125 5.880 1.00 0.00 C ATOM 1326 O LYS A 95 -5.835 -12.102 5.594 1.00 0.00 O ATOM 1327 CB LYS A 95 -8.075 -12.243 3.610 1.00 0.00 C ATOM 1328 CG LYS A 95 -9.441 -12.294 2.947 1.00 0.00 C ATOM 1329 CD LYS A 95 -9.432 -13.185 1.717 1.00 0.00 C ATOM 1330 CE LYS A 95 -10.841 -13.553 1.284 1.00 0.00 C ATOM 1331 NZ LYS A 95 -11.574 -12.384 0.723 1.00 0.00 N ATOM 0 H LYS A 95 -7.585 -9.832 3.784 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.051 -11.604 5.416 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.371 -11.756 2.935 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -7.717 -13.261 3.763 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -10.178 -12.664 3.659 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -9.747 -11.287 2.665 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -8.921 -12.674 0.901 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -8.867 -14.093 1.928 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -10.796 -14.345 0.537 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -11.391 -13.950 2.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.476 -12.265 1.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -10.998 -11.526 0.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -11.761 -12.544 -0.288 1.00 0.00 H new ATOM 1345 N THR A 96 -7.498 -12.676 6.997 1.00 0.00 N ATOM 1346 CA THR A 96 -6.609 -13.301 7.969 1.00 0.00 C ATOM 1347 C THR A 96 -6.990 -14.759 8.204 1.00 0.00 C ATOM 1348 O THR A 96 -8.167 -15.086 8.359 1.00 0.00 O ATOM 1349 CB THR A 96 -6.634 -12.553 9.314 1.00 0.00 C ATOM 1350 OG1 THR A 96 -7.910 -11.932 9.507 1.00 0.00 O ATOM 1351 CG2 THR A 96 -5.539 -11.498 9.367 1.00 0.00 C ATOM 0 H THR A 96 -8.486 -12.702 7.250 1.00 0.00 H new ATOM 0 HA THR A 96 -5.602 -13.254 7.554 1.00 0.00 H new ATOM 0 HB THR A 96 -6.459 -13.277 10.110 1.00 0.00 H new ATOM 0 HG1 THR A 96 -7.918 -11.460 10.366 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.576 -10.983 10.327 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.567 -11.977 9.250 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.688 -10.778 8.562 1.00 0.00 H new ATOM 1359 N ASP A 97 -5.986 -15.630 8.231 1.00 0.00 N ATOM 1360 CA ASP A 97 -6.216 -17.053 8.448 1.00 0.00 C ATOM 1361 C ASP A 97 -5.905 -17.441 9.890 1.00 0.00 C ATOM 1362 O ASP A 97 -5.152 -18.383 10.141 1.00 0.00 O ATOM 1363 CB ASP A 97 -5.360 -17.881 7.488 1.00 0.00 C ATOM 1364 CG ASP A 97 -6.054 -19.155 7.047 1.00 0.00 C ATOM 1365 OD1 ASP A 97 -7.243 -19.332 7.385 1.00 0.00 O ATOM 1366 OD2 ASP A 97 -5.408 -19.976 6.362 1.00 0.00 O ATOM 0 H ASP A 97 -5.006 -15.375 8.105 1.00 0.00 H new ATOM 0 HA ASP A 97 -7.269 -17.259 8.255 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -5.118 -17.280 6.611 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -4.417 -18.133 7.972 1.00 0.00 H new ATOM 1371 N SER A 98 -6.488 -16.710 10.834 1.00 0.00 N ATOM 1372 CA SER A 98 -6.272 -16.978 12.251 1.00 0.00 C ATOM 1373 C SER A 98 -7.595 -16.985 13.010 1.00 0.00 C ATOM 1374 O SER A 98 -8.096 -15.936 13.416 1.00 0.00 O ATOM 1375 CB SER A 98 -5.332 -15.931 12.851 1.00 0.00 C ATOM 1376 OG SER A 98 -4.253 -16.546 13.534 1.00 0.00 O ATOM 0 H SER A 98 -7.114 -15.927 10.643 1.00 0.00 H new ATOM 0 HA SER A 98 -5.815 -17.963 12.344 1.00 0.00 H new ATOM 0 HB2 SER A 98 -4.946 -15.288 12.060 1.00 0.00 H new ATOM 0 HB3 SER A 98 -5.886 -15.293 13.539 1.00 0.00 H new ATOM 0 HG SER A 98 -3.666 -15.856 13.907 1.00 0.00 H new ATOM 1382 N SER A 99 -8.156 -18.176 13.200 1.00 0.00 N ATOM 1383 CA SER A 99 -9.421 -18.319 13.911 1.00 0.00 C ATOM 1384 C SER A 99 -10.597 -17.963 13.008 1.00 0.00 C ATOM 1385 O SER A 99 -10.425 -18.002 11.771 1.00 0.00 O ATOM 1386 CB SER A 99 -9.433 -17.433 15.157 1.00 0.00 C ATOM 1387 OG SER A 99 -9.727 -18.189 16.319 1.00 0.00 O ATOM 0 H SER A 99 -7.755 -19.054 12.872 1.00 0.00 H new ATOM 0 HA SER A 99 -9.522 -19.361 14.214 1.00 0.00 H new ATOM 0 HB2 SER A 99 -8.464 -16.948 15.271 1.00 0.00 H new ATOM 0 HB3 SER A 99 -10.173 -16.642 15.037 1.00 0.00 H new ATOM 0 HG SER A 99 -9.727 -17.599 17.102 1.00 0.00 H new TER 1393 SER A 99