USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 713 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 17 MET CE :methyl 139:sc= -5.61! (180deg=-4.81!) USER MOD Set 1.2: A 50 TYR OH : rot 30:sc= -0.39 USER MOD Set 2.1: A 43 LYS NZ :NH3+ 158:sc= -0.63 (180deg=-0.213) USER MOD Set 2.2: A 44 LYS NZ :NH3+ 148:sc= -1.21 (180deg=-0.0619) USER MOD Set 3.1: A 26 THR OG1 : rot 180:sc= -0.0742 USER MOD Set 3.2: A 29 MET CE :methyl -147:sc= -3.03! (180deg=-1.52) USER MOD Single : A 1 MET CE :methyl 158:sc= -0.206 (180deg=-0.835) USER MOD Single : A 1 MET N :NH3+ -163:sc= -0.0643 (180deg=-0.46) USER MOD Single : A 2 SER OG : rot 110:sc= -0.658 USER MOD Single : A 5 LYS NZ :NH3+ -168:sc= -0.0258 (180deg=-0.193) USER MOD Single : A 9 LYS NZ :NH3+ 168:sc= -0.0196 (180deg=-0.193) USER MOD Single : A 10 ASN :FLIP amide:sc= -0.0682 F(o=-1.7,f=-0.068) USER MOD Single : A 13 MET CE :methyl -169:sc= -7.49! (180deg=-7.62!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -5.16! C(o=-5.2!,f=-9.6!) USER MOD Single : A 19 GLN : amide:sc= -2.1 K(o=-2.1,f=-5.7!) USER MOD Single : A 24 CYS SG : rot 85:sc= -1.27 USER MOD Single : A 27 GLN : amide:sc= -1.28 K(o=-1.3,f=-4!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.137 K(o=-0.14,f=-1.3) USER MOD Single : A 36 LYS NZ :NH3+ -135:sc= -2.65! (180deg=-5.57!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 138:sc= -2.56! (180deg=-5.63!) USER MOD Single : A 49 LYS NZ :NH3+ 167:sc= -0.0392 (180deg=-0.227) USER MOD Single : A 51 ASN : amide:sc= -0.133 K(o=-0.13,f=-1.9) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 HIS :FLIP no HD1:sc= -1.31 F(o=-2.6!,f=-1.3) USER MOD Single : A 56 CYS SG : rot -100:sc= -2.43 USER MOD Single : A 61 ASN :FLIP amide:sc= -0.954 F(o=-4.7!,f=-0.95) USER MOD Single : A 64 SER OG : rot -10:sc= -0.765 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -1.07 K(o=-1.1,f=-7.3!) USER MOD Single : A 70 THR OG1 : rot 11:sc= 0.105 USER MOD Single : A 71 LYS NZ :NH3+ -167:sc= -0.036 (180deg=-0.295) USER MOD Single : A 72 HIS : no HD1:sc= -6.09! C(o=-6.1!,f=-9!) USER MOD Single : A 75 TYR OH : rot -84:sc= 0.373 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.047 USER MOD Single : A 80 GLN :FLIP amide:sc= -1.61! C(o=-3.1!,f=-1.6!) USER MOD Single : A 87 LYS NZ :NH3+ 161:sc= -0.0992 (180deg=-0.465) USER MOD Single : A 88 SER OG : rot 180:sc= -1.53 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.052 11.103 5.636 1.00 0.00 N ATOM 2 CA MET A 1 19.001 10.053 5.612 1.00 0.00 C ATOM 3 C MET A 1 17.792 10.466 6.444 1.00 0.00 C ATOM 4 O MET A 1 17.935 10.951 7.567 1.00 0.00 O ATOM 5 CB MET A 1 19.598 8.754 6.157 1.00 0.00 C ATOM 6 CG MET A 1 20.780 8.243 5.349 1.00 0.00 C ATOM 7 SD MET A 1 21.464 6.712 6.012 1.00 0.00 S ATOM 8 CE MET A 1 20.042 5.631 5.898 1.00 0.00 C ATOM 0 H1 MET A 1 20.721 10.942 4.856 1.00 0.00 H new ATOM 0 H2 MET A 1 19.611 12.038 5.527 1.00 0.00 H new ATOM 0 H3 MET A 1 20.561 11.064 6.542 1.00 0.00 H new ATOM 0 HA MET A 1 18.661 9.909 4.586 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.915 8.914 7.188 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.823 7.988 6.177 1.00 0.00 H new ATOM 0 HG2 MET A 1 20.467 8.080 4.318 1.00 0.00 H new ATOM 0 HG3 MET A 1 21.559 9.006 5.329 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.374 4.593 5.889 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.390 5.796 6.756 1.00 0.00 H new ATOM 0 HE3 MET A 1 19.495 5.845 4.980 1.00 0.00 H new ATOM 20 N SER A 2 16.602 10.267 5.888 1.00 0.00 N ATOM 21 CA SER A 2 15.366 10.618 6.579 1.00 0.00 C ATOM 22 C SER A 2 14.248 9.648 6.214 1.00 0.00 C ATOM 23 O SER A 2 14.466 8.677 5.490 1.00 0.00 O ATOM 24 CB SER A 2 14.952 12.048 6.233 1.00 0.00 C ATOM 25 OG SER A 2 13.752 12.407 6.899 1.00 0.00 O ATOM 0 H SER A 2 16.467 9.864 4.961 1.00 0.00 H new ATOM 0 HA SER A 2 15.545 10.551 7.652 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.748 12.738 6.513 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.815 12.140 5.156 1.00 0.00 H new ATOM 0 HG SER A 2 13.949 13.071 7.592 1.00 0.00 H new ATOM 31 N ASP A 3 13.050 9.918 6.720 1.00 0.00 N ATOM 32 CA ASP A 3 11.897 9.068 6.446 1.00 0.00 C ATOM 33 C ASP A 3 10.595 9.783 6.795 1.00 0.00 C ATOM 34 O ASP A 3 9.932 9.445 7.777 1.00 0.00 O ATOM 35 CB ASP A 3 12.005 7.758 7.231 1.00 0.00 C ATOM 36 CG ASP A 3 10.843 6.820 6.962 1.00 0.00 C ATOM 37 OD1 ASP A 3 9.953 7.189 6.167 1.00 0.00 O ATOM 38 OD2 ASP A 3 10.823 5.717 7.549 1.00 0.00 O ATOM 0 H ASP A 3 12.852 10.718 7.321 1.00 0.00 H new ATOM 0 HA ASP A 3 11.888 8.843 5.379 1.00 0.00 H new ATOM 0 HB2 ASP A 3 12.938 7.259 6.971 1.00 0.00 H new ATOM 0 HB3 ASP A 3 12.049 7.980 8.297 1.00 0.00 H new ATOM 43 N ARG A 4 10.232 10.771 5.983 1.00 0.00 N ATOM 44 CA ARG A 4 9.008 11.530 6.205 1.00 0.00 C ATOM 45 C ARG A 4 7.919 11.086 5.239 1.00 0.00 C ATOM 46 O ARG A 4 6.744 11.008 5.600 1.00 0.00 O ATOM 47 CB ARG A 4 9.274 13.025 6.033 1.00 0.00 C ATOM 48 CG ARG A 4 10.398 13.547 6.910 1.00 0.00 C ATOM 49 CD ARG A 4 10.589 15.047 6.741 1.00 0.00 C ATOM 50 NE ARG A 4 10.919 15.408 5.365 1.00 0.00 N ATOM 51 CZ ARG A 4 12.054 15.066 4.758 1.00 0.00 C ATOM 52 NH1 ARG A 4 12.991 14.392 5.413 1.00 0.00 N ATOM 53 NH2 ARG A 4 12.257 15.410 3.493 1.00 0.00 N ATOM 0 H ARG A 4 10.768 11.064 5.166 1.00 0.00 H new ATOM 0 HA ARG A 4 8.670 11.342 7.224 1.00 0.00 H new ATOM 0 HB2 ARG A 4 9.516 13.225 4.989 1.00 0.00 H new ATOM 0 HB3 ARG A 4 8.361 13.576 6.260 1.00 0.00 H new ATOM 0 HG2 ARG A 4 10.180 13.323 7.954 1.00 0.00 H new ATOM 0 HG3 ARG A 4 11.325 13.031 6.660 1.00 0.00 H new ATOM 0 HD2 ARG A 4 9.678 15.564 7.042 1.00 0.00 H new ATOM 0 HD3 ARG A 4 11.383 15.388 7.405 1.00 0.00 H new ATOM 0 HE ARG A 4 10.239 15.955 4.837 1.00 0.00 H new ATOM 0 HH11 ARG A 4 12.845 14.132 6.388 1.00 0.00 H new ATOM 0 HH12 ARG A 4 13.858 14.134 4.941 1.00 0.00 H new ATOM 0 HH21 ARG A 4 11.544 15.936 2.987 1.00 0.00 H new ATOM 0 HH22 ARG A 4 13.126 15.149 3.027 1.00 0.00 H new ATOM 67 N LYS A 5 8.321 10.791 4.009 1.00 0.00 N ATOM 68 CA LYS A 5 7.386 10.349 2.981 1.00 0.00 C ATOM 69 C LYS A 5 7.264 8.829 2.977 1.00 0.00 C ATOM 70 O LYS A 5 7.313 8.194 1.923 1.00 0.00 O ATOM 71 CB LYS A 5 7.840 10.841 1.605 1.00 0.00 C ATOM 72 CG LYS A 5 7.952 12.354 1.505 1.00 0.00 C ATOM 73 CD LYS A 5 8.407 12.789 0.120 1.00 0.00 C ATOM 74 CE LYS A 5 9.773 12.217 -0.223 1.00 0.00 C ATOM 75 NZ LYS A 5 10.817 12.649 0.747 1.00 0.00 N ATOM 0 H LYS A 5 9.291 10.850 3.698 1.00 0.00 H new ATOM 0 HA LYS A 5 6.407 10.773 3.206 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.808 10.397 1.371 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.136 10.487 0.852 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.987 12.807 1.731 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.658 12.718 2.252 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.678 12.464 -0.622 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.445 13.877 0.074 1.00 0.00 H new ATOM 0 HE2 LYS A 5 9.718 11.128 -0.236 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.057 12.533 -1.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.758 12.412 0.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.751 13.677 0.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.672 12.160 1.654 1.00 0.00 H new ATOM 89 N ALA A 6 7.104 8.249 4.163 1.00 0.00 N ATOM 90 CA ALA A 6 6.976 6.804 4.298 1.00 0.00 C ATOM 91 C ALA A 6 6.741 6.409 5.752 1.00 0.00 C ATOM 92 O ALA A 6 7.690 6.228 6.516 1.00 0.00 O ATOM 93 CB ALA A 6 8.216 6.108 3.755 1.00 0.00 C ATOM 0 H ALA A 6 7.060 8.760 5.045 1.00 0.00 H new ATOM 0 HA ALA A 6 6.111 6.486 3.716 1.00 0.00 H new ATOM 0 HB1 ALA A 6 8.104 5.029 3.863 1.00 0.00 H new ATOM 0 HB2 ALA A 6 8.340 6.356 2.701 1.00 0.00 H new ATOM 0 HB3 ALA A 6 9.093 6.440 4.311 1.00 0.00 H new ATOM 99 N VAL A 7 5.474 6.279 6.127 1.00 0.00 N ATOM 100 CA VAL A 7 5.116 5.908 7.492 1.00 0.00 C ATOM 101 C VAL A 7 4.089 4.782 7.504 1.00 0.00 C ATOM 102 O VAL A 7 3.267 4.669 6.594 1.00 0.00 O ATOM 103 CB VAL A 7 4.548 7.112 8.265 1.00 0.00 C ATOM 104 CG1 VAL A 7 4.271 6.739 9.713 1.00 0.00 C ATOM 105 CG2 VAL A 7 5.498 8.296 8.183 1.00 0.00 C ATOM 0 H VAL A 7 4.678 6.425 5.506 1.00 0.00 H new ATOM 0 HA VAL A 7 6.029 5.567 7.979 1.00 0.00 H new ATOM 0 HB VAL A 7 3.604 7.401 7.804 1.00 0.00 H new ATOM 0 HG11 VAL A 7 3.870 7.604 10.241 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.546 5.925 9.747 1.00 0.00 H new ATOM 0 HG13 VAL A 7 5.198 6.420 10.190 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.079 9.137 8.735 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.460 8.021 8.615 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.637 8.580 7.140 1.00 0.00 H new ATOM 115 N ILE A 8 4.143 3.950 8.540 1.00 0.00 N ATOM 116 CA ILE A 8 3.219 2.833 8.673 1.00 0.00 C ATOM 117 C ILE A 8 2.204 3.089 9.782 1.00 0.00 C ATOM 118 O ILE A 8 2.551 3.591 10.851 1.00 0.00 O ATOM 119 CB ILE A 8 3.972 1.519 8.961 1.00 0.00 C ATOM 120 CG1 ILE A 8 5.037 1.279 7.890 1.00 0.00 C ATOM 121 CG2 ILE A 8 3.004 0.344 9.028 1.00 0.00 C ATOM 122 CD1 ILE A 8 6.232 2.202 8.001 1.00 0.00 C ATOM 0 H ILE A 8 4.819 4.030 9.300 1.00 0.00 H new ATOM 0 HA ILE A 8 2.691 2.737 7.724 1.00 0.00 H new ATOM 0 HB ILE A 8 4.463 1.606 9.930 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.380 0.246 7.956 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.584 1.402 6.906 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.558 -0.572 9.232 1.00 0.00 H new ATOM 0 HG22 ILE A 8 2.279 0.515 9.824 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.482 0.248 8.076 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.944 1.972 7.208 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.903 3.237 7.904 1.00 0.00 H new ATOM 0 HD13 ILE A 8 6.711 2.063 8.970 1.00 0.00 H new ATOM 134 N LYS A 9 0.948 2.743 9.519 1.00 0.00 N ATOM 135 CA LYS A 9 -0.119 2.938 10.496 1.00 0.00 C ATOM 136 C LYS A 9 -0.389 1.655 11.279 1.00 0.00 C ATOM 137 O LYS A 9 -1.510 1.418 11.724 1.00 0.00 O ATOM 138 CB LYS A 9 -1.399 3.402 9.797 1.00 0.00 C ATOM 139 CG LYS A 9 -1.229 4.698 9.021 1.00 0.00 C ATOM 140 CD LYS A 9 -2.517 5.104 8.321 1.00 0.00 C ATOM 141 CE LYS A 9 -3.645 5.330 9.315 1.00 0.00 C ATOM 142 NZ LYS A 9 -3.320 6.406 10.290 1.00 0.00 N ATOM 0 H LYS A 9 0.644 2.327 8.639 1.00 0.00 H new ATOM 0 HA LYS A 9 0.204 3.706 11.199 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.735 2.621 9.115 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.183 3.534 10.542 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.918 5.491 9.700 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.435 4.580 8.284 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.349 6.015 7.747 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.806 4.329 7.611 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.556 5.591 8.777 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.847 4.403 9.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.178 6.669 10.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.598 6.065 10.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.957 7.237 9.781 1.00 0.00 H new ATOM 156 N ASN A 10 0.655 0.837 11.438 1.00 0.00 N ATOM 157 CA ASN A 10 0.571 -0.437 12.163 1.00 0.00 C ATOM 158 C ASN A 10 0.177 -1.565 11.219 1.00 0.00 C ATOM 159 O ASN A 10 -0.999 -1.898 11.085 1.00 0.00 O ATOM 160 CB ASN A 10 -0.424 -0.358 13.332 1.00 0.00 C ATOM 161 CG ASN A 10 -0.382 -1.571 14.256 1.00 0.00 C ATOM 162 OD1 ASN A 10 0.555 -2.492 14.029 1.00 0.00 O flip ATOM 163 ND2 ASN A 10 -1.188 -1.675 15.181 1.00 0.00 N flip ATOM 0 H ASN A 10 1.584 1.038 11.068 1.00 0.00 H new ATOM 0 HA ASN A 10 1.559 -0.645 12.574 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.216 0.539 13.915 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.433 -0.251 12.933 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -1.893 -0.952 15.327 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -1.151 -2.484 15.801 1.00 0.00 H new ATOM 170 N ALA A 11 1.178 -2.145 10.566 1.00 0.00 N ATOM 171 CA ALA A 11 0.950 -3.235 9.627 1.00 0.00 C ATOM 172 C ALA A 11 1.220 -4.586 10.276 1.00 0.00 C ATOM 173 O ALA A 11 1.827 -4.664 11.345 1.00 0.00 O ATOM 174 CB ALA A 11 1.828 -3.059 8.401 1.00 0.00 C ATOM 0 H ALA A 11 2.157 -1.877 10.671 1.00 0.00 H new ATOM 0 HA ALA A 11 -0.097 -3.209 9.325 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.650 -3.879 7.705 1.00 0.00 H new ATOM 0 HB2 ALA A 11 1.589 -2.113 7.915 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.876 -3.059 8.701 1.00 0.00 H new ATOM 180 N ASP A 12 0.770 -5.649 9.621 1.00 0.00 N ATOM 181 CA ASP A 12 0.968 -7.001 10.128 1.00 0.00 C ATOM 182 C ASP A 12 1.089 -7.995 8.972 1.00 0.00 C ATOM 183 O ASP A 12 0.867 -9.192 9.141 1.00 0.00 O ATOM 184 CB ASP A 12 -0.195 -7.389 11.050 1.00 0.00 C ATOM 185 CG ASP A 12 0.104 -8.614 11.896 1.00 0.00 C ATOM 186 OD1 ASP A 12 0.294 -9.707 11.324 1.00 0.00 O ATOM 187 OD2 ASP A 12 0.150 -8.477 13.137 1.00 0.00 O ATOM 0 H ASP A 12 0.265 -5.601 8.736 1.00 0.00 H new ATOM 0 HA ASP A 12 1.895 -7.029 10.700 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.428 -6.550 11.705 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.083 -7.578 10.446 1.00 0.00 H new ATOM 192 N MET A 13 1.442 -7.491 7.791 1.00 0.00 N ATOM 193 CA MET A 13 1.590 -8.342 6.616 1.00 0.00 C ATOM 194 C MET A 13 3.045 -8.775 6.438 1.00 0.00 C ATOM 195 O MET A 13 3.570 -8.773 5.326 1.00 0.00 O ATOM 196 CB MET A 13 1.109 -7.603 5.361 1.00 0.00 C ATOM 197 CG MET A 13 1.110 -8.453 4.104 1.00 0.00 C ATOM 198 SD MET A 13 0.789 -7.479 2.624 1.00 0.00 S ATOM 199 CE MET A 13 -0.854 -6.863 2.978 1.00 0.00 C ATOM 0 H MET A 13 1.630 -6.502 7.624 1.00 0.00 H new ATOM 0 HA MET A 13 0.979 -9.232 6.763 1.00 0.00 H new ATOM 0 HB2 MET A 13 0.099 -7.232 5.535 1.00 0.00 H new ATOM 0 HB3 MET A 13 1.745 -6.732 5.199 1.00 0.00 H new ATOM 0 HG2 MET A 13 2.074 -8.953 4.006 1.00 0.00 H new ATOM 0 HG3 MET A 13 0.354 -9.233 4.194 1.00 0.00 H new ATOM 0 HE1 MET A 13 -1.272 -6.406 2.081 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.491 -7.688 3.296 1.00 0.00 H new ATOM 0 HE3 MET A 13 -0.800 -6.119 3.773 1.00 0.00 H new ATOM 209 N SER A 14 3.700 -9.136 7.538 1.00 0.00 N ATOM 210 CA SER A 14 5.090 -9.558 7.489 1.00 0.00 C ATOM 211 C SER A 14 5.985 -8.385 7.128 1.00 0.00 C ATOM 212 O SER A 14 5.932 -7.871 6.011 1.00 0.00 O ATOM 213 CB SER A 14 5.281 -10.698 6.483 1.00 0.00 C ATOM 214 OG SER A 14 4.467 -11.810 6.813 1.00 0.00 O ATOM 0 H SER A 14 3.288 -9.144 8.471 1.00 0.00 H new ATOM 0 HA SER A 14 5.368 -9.924 8.477 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.035 -10.348 5.481 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.328 -11.001 6.467 1.00 0.00 H new ATOM 0 HG SER A 14 4.605 -12.523 6.155 1.00 0.00 H new ATOM 220 N GLU A 15 6.793 -7.965 8.094 1.00 0.00 N ATOM 221 CA GLU A 15 7.720 -6.839 7.920 1.00 0.00 C ATOM 222 C GLU A 15 8.266 -6.755 6.493 1.00 0.00 C ATOM 223 O GLU A 15 8.491 -5.665 5.968 1.00 0.00 O ATOM 224 CB GLU A 15 8.887 -6.939 8.909 1.00 0.00 C ATOM 225 CG GLU A 15 8.519 -6.579 10.343 1.00 0.00 C ATOM 226 CD GLU A 15 7.509 -7.528 10.956 1.00 0.00 C ATOM 227 OE1 GLU A 15 7.807 -8.738 11.043 1.00 0.00 O ATOM 228 OE2 GLU A 15 6.419 -7.062 11.348 1.00 0.00 O ATOM 0 H GLU A 15 6.829 -8.390 9.020 1.00 0.00 H new ATOM 0 HA GLU A 15 7.151 -5.931 8.118 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.279 -7.956 8.890 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.690 -6.281 8.575 1.00 0.00 H new ATOM 0 HG2 GLU A 15 9.422 -6.576 10.953 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.116 -5.566 10.365 1.00 0.00 H new ATOM 235 N ASP A 16 8.470 -7.908 5.867 1.00 0.00 N ATOM 236 CA ASP A 16 8.983 -7.952 4.502 1.00 0.00 C ATOM 237 C ASP A 16 8.098 -7.137 3.562 1.00 0.00 C ATOM 238 O ASP A 16 8.594 -6.362 2.744 1.00 0.00 O ATOM 239 CB ASP A 16 9.072 -9.400 4.016 1.00 0.00 C ATOM 240 CG ASP A 16 9.630 -9.508 2.609 1.00 0.00 C ATOM 241 OD1 ASP A 16 9.012 -8.946 1.682 1.00 0.00 O ATOM 242 OD2 ASP A 16 10.685 -10.154 2.436 1.00 0.00 O ATOM 0 H ASP A 16 8.289 -8.823 6.281 1.00 0.00 H new ATOM 0 HA ASP A 16 9.981 -7.515 4.499 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.702 -9.971 4.698 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.080 -9.851 4.046 1.00 0.00 H new ATOM 247 N MET A 17 6.785 -7.310 3.687 1.00 0.00 N ATOM 248 CA MET A 17 5.838 -6.582 2.849 1.00 0.00 C ATOM 249 C MET A 17 5.815 -5.107 3.218 1.00 0.00 C ATOM 250 O MET A 17 5.445 -4.266 2.403 1.00 0.00 O ATOM 251 CB MET A 17 4.434 -7.177 2.972 1.00 0.00 C ATOM 252 CG MET A 17 4.358 -8.638 2.558 1.00 0.00 C ATOM 253 SD MET A 17 4.939 -8.916 0.875 1.00 0.00 S ATOM 254 CE MET A 17 4.634 -10.672 0.700 1.00 0.00 C ATOM 0 H MET A 17 6.354 -7.946 4.358 1.00 0.00 H new ATOM 0 HA MET A 17 6.165 -6.677 1.814 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.096 -7.082 4.004 1.00 0.00 H new ATOM 0 HB3 MET A 17 3.746 -6.597 2.357 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.953 -9.238 3.247 1.00 0.00 H new ATOM 0 HG3 MET A 17 3.327 -8.982 2.644 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.234 -10.875 -0.293 1.00 0.00 H new ATOM 0 HE2 MET A 17 5.568 -11.219 0.833 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.915 -10.993 1.453 1.00 0.00 H new ATOM 264 N GLN A 18 6.236 -4.785 4.432 1.00 0.00 N ATOM 265 CA GLN A 18 6.283 -3.397 4.849 1.00 0.00 C ATOM 266 C GLN A 18 7.374 -2.692 4.060 1.00 0.00 C ATOM 267 O GLN A 18 7.209 -1.556 3.618 1.00 0.00 O ATOM 268 CB GLN A 18 6.540 -3.272 6.355 1.00 0.00 C ATOM 269 CG GLN A 18 5.326 -3.587 7.220 1.00 0.00 C ATOM 270 CD GLN A 18 4.890 -5.039 7.145 1.00 0.00 C ATOM 271 OE1 GLN A 18 4.547 -5.546 6.078 1.00 0.00 O ATOM 272 NE2 GLN A 18 4.892 -5.714 8.288 1.00 0.00 N ATOM 0 H GLN A 18 6.545 -5.457 5.135 1.00 0.00 H new ATOM 0 HA GLN A 18 5.318 -2.931 4.650 1.00 0.00 H new ATOM 0 HB2 GLN A 18 7.354 -3.943 6.631 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.875 -2.258 6.573 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.553 -3.337 8.256 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.496 -2.950 6.913 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.184 -5.255 9.151 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.602 -6.692 8.303 1.00 0.00 H new ATOM 281 N GLN A 19 8.484 -3.396 3.863 1.00 0.00 N ATOM 282 CA GLN A 19 9.603 -2.866 3.111 1.00 0.00 C ATOM 283 C GLN A 19 9.318 -2.908 1.612 1.00 0.00 C ATOM 284 O GLN A 19 9.674 -1.986 0.877 1.00 0.00 O ATOM 285 CB GLN A 19 10.865 -3.665 3.430 1.00 0.00 C ATOM 286 CG GLN A 19 12.091 -3.185 2.680 1.00 0.00 C ATOM 287 CD GLN A 19 12.486 -1.770 3.053 1.00 0.00 C ATOM 288 OE1 GLN A 19 11.703 -0.833 2.903 1.00 0.00 O ATOM 289 NE2 GLN A 19 13.711 -1.608 3.542 1.00 0.00 N ATOM 0 H GLN A 19 8.628 -4.341 4.219 1.00 0.00 H new ATOM 0 HA GLN A 19 9.754 -1.826 3.399 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.059 -3.609 4.501 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.691 -4.714 3.192 1.00 0.00 H new ATOM 0 HG2 GLN A 19 12.924 -3.857 2.886 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.899 -3.234 1.608 1.00 0.00 H new ATOM 0 HE21 GLN A 19 14.328 -2.413 3.650 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.034 -0.678 3.810 1.00 0.00 H new ATOM 298 N ASP A 20 8.670 -3.978 1.165 1.00 0.00 N ATOM 299 CA ASP A 20 8.340 -4.131 -0.248 1.00 0.00 C ATOM 300 C ASP A 20 7.214 -3.184 -0.639 1.00 0.00 C ATOM 301 O ASP A 20 7.344 -2.397 -1.577 1.00 0.00 O ATOM 302 CB ASP A 20 7.938 -5.575 -0.551 1.00 0.00 C ATOM 303 CG ASP A 20 9.053 -6.561 -0.262 1.00 0.00 C ATOM 304 OD1 ASP A 20 10.130 -6.124 0.196 1.00 0.00 O ATOM 305 OD2 ASP A 20 8.848 -7.772 -0.492 1.00 0.00 O ATOM 0 H ASP A 20 8.364 -4.750 1.758 1.00 0.00 H new ATOM 0 HA ASP A 20 9.225 -3.883 -0.834 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.062 -5.837 0.043 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.648 -5.656 -1.599 1.00 0.00 H new ATOM 310 N ALA A 21 6.108 -3.266 0.090 1.00 0.00 N ATOM 311 CA ALA A 21 4.950 -2.419 -0.169 1.00 0.00 C ATOM 312 C ALA A 21 5.329 -0.941 -0.148 1.00 0.00 C ATOM 313 O ALA A 21 4.992 -0.195 -1.068 1.00 0.00 O ATOM 314 CB ALA A 21 3.854 -2.698 0.847 1.00 0.00 C ATOM 0 H ALA A 21 5.988 -3.914 0.869 1.00 0.00 H new ATOM 0 HA ALA A 21 4.577 -2.656 -1.166 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.996 -2.058 0.641 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.552 -3.743 0.779 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.227 -2.493 1.850 1.00 0.00 H new ATOM 320 N VAL A 22 6.030 -0.519 0.903 1.00 0.00 N ATOM 321 CA VAL A 22 6.445 0.875 1.023 1.00 0.00 C ATOM 322 C VAL A 22 7.291 1.304 -0.173 1.00 0.00 C ATOM 323 O VAL A 22 6.974 2.286 -0.843 1.00 0.00 O ATOM 324 CB VAL A 22 7.224 1.128 2.332 1.00 0.00 C ATOM 325 CG1 VAL A 22 7.810 2.535 2.354 1.00 0.00 C ATOM 326 CG2 VAL A 22 6.318 0.915 3.534 1.00 0.00 C ATOM 0 H VAL A 22 6.320 -1.117 1.677 1.00 0.00 H new ATOM 0 HA VAL A 22 5.535 1.475 1.044 1.00 0.00 H new ATOM 0 HB VAL A 22 8.048 0.416 2.381 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.354 2.688 3.286 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.491 2.659 1.512 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.005 3.266 2.279 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.880 1.097 4.450 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.476 1.605 3.482 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.947 -0.110 3.533 1.00 0.00 H new ATOM 336 N ASP A 23 8.364 0.565 -0.446 1.00 0.00 N ATOM 337 CA ASP A 23 9.234 0.892 -1.570 1.00 0.00 C ATOM 338 C ASP A 23 8.507 0.691 -2.890 1.00 0.00 C ATOM 339 O ASP A 23 8.819 1.342 -3.887 1.00 0.00 O ATOM 340 CB ASP A 23 10.514 0.054 -1.536 1.00 0.00 C ATOM 341 CG ASP A 23 11.365 0.346 -0.317 1.00 0.00 C ATOM 342 OD1 ASP A 23 11.747 1.519 -0.126 1.00 0.00 O ATOM 343 OD2 ASP A 23 11.656 -0.600 0.445 1.00 0.00 O ATOM 0 H ASP A 23 8.649 -0.255 0.090 1.00 0.00 H new ATOM 0 HA ASP A 23 9.511 1.943 -1.482 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.252 -1.004 -1.548 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.096 0.248 -2.437 1.00 0.00 H new ATOM 348 N CYS A 24 7.519 -0.188 -2.897 1.00 0.00 N ATOM 349 CA CYS A 24 6.749 -0.420 -4.104 1.00 0.00 C ATOM 350 C CYS A 24 5.839 0.776 -4.341 1.00 0.00 C ATOM 351 O CYS A 24 5.519 1.117 -5.480 1.00 0.00 O ATOM 352 CB CYS A 24 5.929 -1.706 -3.990 1.00 0.00 C ATOM 353 SG CYS A 24 5.071 -2.167 -5.514 1.00 0.00 S ATOM 0 H CYS A 24 7.235 -0.745 -2.091 1.00 0.00 H new ATOM 0 HA CYS A 24 7.428 -0.538 -4.949 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.590 -2.522 -3.696 1.00 0.00 H new ATOM 0 HB3 CYS A 24 5.195 -1.587 -3.193 1.00 0.00 H new ATOM 0 HG CYS A 24 5.876 -2.846 -6.277 1.00 0.00 H new ATOM 359 N ALA A 25 5.452 1.429 -3.248 1.00 0.00 N ATOM 360 CA ALA A 25 4.607 2.606 -3.316 1.00 0.00 C ATOM 361 C ALA A 25 5.426 3.823 -3.727 1.00 0.00 C ATOM 362 O ALA A 25 4.921 4.721 -4.402 1.00 0.00 O ATOM 363 CB ALA A 25 3.923 2.850 -1.978 1.00 0.00 C ATOM 0 H ALA A 25 5.715 1.156 -2.301 1.00 0.00 H new ATOM 0 HA ALA A 25 3.837 2.437 -4.069 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.293 3.737 -2.048 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.308 1.988 -1.721 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.677 3.001 -1.206 1.00 0.00 H new ATOM 369 N THR A 26 6.702 3.845 -3.333 1.00 0.00 N ATOM 370 CA THR A 26 7.573 4.954 -3.691 1.00 0.00 C ATOM 371 C THR A 26 8.029 4.785 -5.128 1.00 0.00 C ATOM 372 O THR A 26 7.936 5.705 -5.937 1.00 0.00 O ATOM 373 CB THR A 26 8.779 5.033 -2.745 1.00 0.00 C ATOM 374 OG1 THR A 26 9.368 6.319 -2.794 1.00 0.00 O ATOM 375 CG2 THR A 26 9.873 4.032 -3.050 1.00 0.00 C ATOM 0 H THR A 26 7.145 3.116 -2.774 1.00 0.00 H new ATOM 0 HA THR A 26 7.019 5.888 -3.595 1.00 0.00 H new ATOM 0 HB THR A 26 8.371 4.807 -1.760 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.134 6.351 -2.184 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.688 4.154 -2.336 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.473 3.021 -2.974 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.248 4.199 -4.060 1.00 0.00 H new ATOM 383 N GLN A 27 8.497 3.584 -5.443 1.00 0.00 N ATOM 384 CA GLN A 27 8.943 3.277 -6.793 1.00 0.00 C ATOM 385 C GLN A 27 7.770 3.357 -7.764 1.00 0.00 C ATOM 386 O GLN A 27 7.954 3.609 -8.956 1.00 0.00 O ATOM 387 CB GLN A 27 9.580 1.887 -6.848 1.00 0.00 C ATOM 388 CG GLN A 27 10.844 1.760 -6.012 1.00 0.00 C ATOM 389 CD GLN A 27 11.955 2.677 -6.487 1.00 0.00 C ATOM 390 OE1 GLN A 27 11.806 3.899 -6.496 1.00 0.00 O ATOM 391 NE2 GLN A 27 13.076 2.090 -6.887 1.00 0.00 N ATOM 0 H GLN A 27 8.577 2.810 -4.784 1.00 0.00 H new ATOM 0 HA GLN A 27 9.694 4.011 -7.084 1.00 0.00 H new ATOM 0 HB2 GLN A 27 8.853 1.150 -6.506 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.815 1.645 -7.885 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.611 1.987 -4.972 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.193 0.728 -6.042 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.156 1.073 -6.863 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.857 2.655 -7.219 1.00 0.00 H new ATOM 400 N ALA A 28 6.562 3.151 -7.245 1.00 0.00 N ATOM 401 CA ALA A 28 5.360 3.210 -8.066 1.00 0.00 C ATOM 402 C ALA A 28 5.001 4.652 -8.405 1.00 0.00 C ATOM 403 O ALA A 28 4.669 4.965 -9.549 1.00 0.00 O ATOM 404 CB ALA A 28 4.200 2.527 -7.359 1.00 0.00 C ATOM 0 H ALA A 28 6.392 2.942 -6.261 1.00 0.00 H new ATOM 0 HA ALA A 28 5.560 2.682 -8.998 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.310 2.580 -7.986 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.451 1.483 -7.173 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.006 3.028 -6.411 1.00 0.00 H new ATOM 410 N MET A 29 5.064 5.530 -7.406 1.00 0.00 N ATOM 411 CA MET A 29 4.738 6.937 -7.612 1.00 0.00 C ATOM 412 C MET A 29 5.868 7.666 -8.336 1.00 0.00 C ATOM 413 O MET A 29 5.639 8.679 -8.996 1.00 0.00 O ATOM 414 CB MET A 29 4.414 7.618 -6.276 1.00 0.00 C ATOM 415 CG MET A 29 5.561 7.625 -5.275 1.00 0.00 C ATOM 416 SD MET A 29 6.812 8.870 -5.647 1.00 0.00 S ATOM 417 CE MET A 29 7.936 8.640 -4.272 1.00 0.00 C ATOM 0 H MET A 29 5.336 5.293 -6.452 1.00 0.00 H new ATOM 0 HA MET A 29 3.852 6.988 -8.245 1.00 0.00 H new ATOM 0 HB2 MET A 29 4.113 8.647 -6.471 1.00 0.00 H new ATOM 0 HB3 MET A 29 3.558 7.116 -5.825 1.00 0.00 H new ATOM 0 HG2 MET A 29 5.163 7.804 -4.276 1.00 0.00 H new ATOM 0 HG3 MET A 29 6.029 6.641 -5.260 1.00 0.00 H new ATOM 0 HE1 MET A 29 8.382 9.597 -4.003 1.00 0.00 H new ATOM 0 HE2 MET A 29 7.389 8.242 -3.418 1.00 0.00 H new ATOM 0 HE3 MET A 29 8.722 7.941 -4.558 1.00 0.00 H new ATOM 427 N GLU A 30 7.086 7.137 -8.227 1.00 0.00 N ATOM 428 CA GLU A 30 8.236 7.736 -8.895 1.00 0.00 C ATOM 429 C GLU A 30 8.222 7.381 -10.376 1.00 0.00 C ATOM 430 O GLU A 30 8.234 8.259 -11.238 1.00 0.00 O ATOM 431 CB GLU A 30 9.548 7.267 -8.260 1.00 0.00 C ATOM 432 CG GLU A 30 9.793 7.825 -6.867 1.00 0.00 C ATOM 433 CD GLU A 30 11.106 7.357 -6.272 1.00 0.00 C ATOM 434 OE1 GLU A 30 11.826 6.590 -6.946 1.00 0.00 O ATOM 435 OE2 GLU A 30 11.415 7.755 -5.128 1.00 0.00 O ATOM 0 H GLU A 30 7.299 6.300 -7.685 1.00 0.00 H new ATOM 0 HA GLU A 30 8.169 8.818 -8.781 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.547 6.178 -8.209 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.377 7.555 -8.907 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.786 8.914 -6.910 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.975 7.527 -6.211 1.00 0.00 H new ATOM 442 N LYS A 31 8.184 6.084 -10.661 1.00 0.00 N ATOM 443 CA LYS A 31 8.153 5.608 -12.039 1.00 0.00 C ATOM 444 C LYS A 31 6.864 6.039 -12.731 1.00 0.00 C ATOM 445 O LYS A 31 6.817 6.161 -13.955 1.00 0.00 O ATOM 446 CB LYS A 31 8.281 4.083 -12.076 1.00 0.00 C ATOM 447 CG LYS A 31 9.574 3.566 -11.467 1.00 0.00 C ATOM 448 CD LYS A 31 10.792 4.106 -12.200 1.00 0.00 C ATOM 449 CE LYS A 31 10.794 3.688 -13.661 1.00 0.00 C ATOM 450 NZ LYS A 31 11.988 4.208 -14.386 1.00 0.00 N ATOM 0 H LYS A 31 8.174 5.345 -9.958 1.00 0.00 H new ATOM 0 HA LYS A 31 8.996 6.049 -12.571 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.437 3.643 -11.544 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.216 3.746 -13.111 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.623 3.854 -10.417 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.582 2.477 -11.499 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.806 5.194 -12.132 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.699 3.744 -11.716 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.774 2.600 -13.727 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.888 4.053 -14.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.952 3.901 -15.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.994 5.247 -14.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.852 3.839 -13.941 1.00 0.00 H new ATOM 464 N TYR A 32 5.819 6.270 -11.940 1.00 0.00 N ATOM 465 CA TYR A 32 4.530 6.691 -12.478 1.00 0.00 C ATOM 466 C TYR A 32 3.882 7.731 -11.571 1.00 0.00 C ATOM 467 O TYR A 32 3.866 7.581 -10.351 1.00 0.00 O ATOM 468 CB TYR A 32 3.603 5.485 -12.638 1.00 0.00 C ATOM 469 CG TYR A 32 4.140 4.428 -13.577 1.00 0.00 C ATOM 470 CD1 TYR A 32 4.403 4.723 -14.909 1.00 0.00 C ATOM 471 CD2 TYR A 32 4.388 3.136 -13.129 1.00 0.00 C ATOM 472 CE1 TYR A 32 4.894 3.760 -15.770 1.00 0.00 C ATOM 473 CE2 TYR A 32 4.881 2.167 -13.985 1.00 0.00 C ATOM 474 CZ TYR A 32 5.132 2.483 -15.302 1.00 0.00 C ATOM 475 OH TYR A 32 5.623 1.523 -16.156 1.00 0.00 O ATOM 0 H TYR A 32 5.840 6.173 -10.925 1.00 0.00 H new ATOM 0 HA TYR A 32 4.698 7.141 -13.457 1.00 0.00 H new ATOM 0 HB2 TYR A 32 3.432 5.037 -11.659 1.00 0.00 H new ATOM 0 HB3 TYR A 32 2.635 5.827 -13.005 1.00 0.00 H new ATOM 0 HD1 TYR A 32 4.221 5.722 -15.278 1.00 0.00 H new ATOM 0 HD2 TYR A 32 4.193 2.884 -12.097 1.00 0.00 H new ATOM 0 HE1 TYR A 32 5.090 4.005 -16.803 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.068 1.167 -13.622 1.00 0.00 H new ATOM 0 HH TYR A 32 5.736 0.680 -15.670 1.00 0.00 H new ATOM 485 N ASN A 33 3.352 8.789 -12.175 1.00 0.00 N ATOM 486 CA ASN A 33 2.708 9.856 -11.418 1.00 0.00 C ATOM 487 C ASN A 33 1.187 9.744 -11.485 1.00 0.00 C ATOM 488 O ASN A 33 0.478 10.740 -11.346 1.00 0.00 O ATOM 489 CB ASN A 33 3.153 11.222 -11.944 1.00 0.00 C ATOM 490 CG ASN A 33 4.650 11.425 -11.831 1.00 0.00 C ATOM 491 OD1 ASN A 33 5.435 10.669 -12.403 1.00 0.00 O ATOM 492 ND2 ASN A 33 5.054 12.449 -11.089 1.00 0.00 N ATOM 0 H ASN A 33 3.356 8.931 -13.185 1.00 0.00 H new ATOM 0 HA ASN A 33 3.011 9.755 -10.376 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.853 11.322 -12.987 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.640 12.007 -11.389 1.00 0.00 H new ATOM 0 HD21 ASN A 33 6.051 12.635 -10.975 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.368 13.050 -10.633 1.00 0.00 H new ATOM 499 N ILE A 34 0.692 8.528 -11.697 1.00 0.00 N ATOM 500 CA ILE A 34 -0.741 8.294 -11.780 1.00 0.00 C ATOM 501 C ILE A 34 -1.258 7.777 -10.442 1.00 0.00 C ATOM 502 O ILE A 34 -0.478 7.567 -9.515 1.00 0.00 O ATOM 503 CB ILE A 34 -1.058 7.267 -12.888 1.00 0.00 C ATOM 504 CG1 ILE A 34 -0.123 7.473 -14.081 1.00 0.00 C ATOM 505 CG2 ILE A 34 -2.510 7.386 -13.332 1.00 0.00 C ATOM 506 CD1 ILE A 34 -0.315 8.803 -14.781 1.00 0.00 C ATOM 0 H ILE A 34 1.264 7.692 -11.814 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.233 9.236 -12.022 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.902 6.266 -12.485 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.909 7.397 -13.740 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.281 6.668 -14.799 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.713 6.654 -14.113 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.167 7.201 -12.482 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.691 8.389 -13.719 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.382 8.879 -15.616 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.337 8.874 -15.153 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.128 9.615 -14.078 1.00 0.00 H new ATOM 518 N GLU A 35 -2.564 7.569 -10.336 1.00 0.00 N ATOM 519 CA GLU A 35 -3.150 7.069 -9.098 1.00 0.00 C ATOM 520 C GLU A 35 -3.762 5.683 -9.304 1.00 0.00 C ATOM 521 O GLU A 35 -4.302 5.090 -8.370 1.00 0.00 O ATOM 522 CB GLU A 35 -4.215 8.039 -8.580 1.00 0.00 C ATOM 523 CG GLU A 35 -3.676 9.427 -8.278 1.00 0.00 C ATOM 524 CD GLU A 35 -4.747 10.368 -7.763 1.00 0.00 C ATOM 525 OE1 GLU A 35 -5.733 10.603 -8.494 1.00 0.00 O ATOM 526 OE2 GLU A 35 -4.602 10.870 -6.629 1.00 0.00 O ATOM 0 H GLU A 35 -3.234 7.737 -11.086 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.354 6.989 -8.358 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.011 8.120 -9.320 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.661 7.627 -7.675 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.879 9.350 -7.539 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.234 9.846 -9.182 1.00 0.00 H new ATOM 533 N LYS A 36 -3.665 5.168 -10.527 1.00 0.00 N ATOM 534 CA LYS A 36 -4.197 3.852 -10.849 1.00 0.00 C ATOM 535 C LYS A 36 -3.062 2.879 -11.130 1.00 0.00 C ATOM 536 O LYS A 36 -3.034 1.771 -10.591 1.00 0.00 O ATOM 537 CB LYS A 36 -5.134 3.933 -12.056 1.00 0.00 C ATOM 538 CG LYS A 36 -6.330 4.846 -11.838 1.00 0.00 C ATOM 539 CD LYS A 36 -7.175 4.996 -13.096 1.00 0.00 C ATOM 540 CE LYS A 36 -7.816 3.681 -13.519 1.00 0.00 C ATOM 541 NZ LYS A 36 -6.825 2.720 -14.080 1.00 0.00 N ATOM 0 H LYS A 36 -3.221 5.646 -11.311 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.766 3.490 -9.992 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.571 4.286 -12.920 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.491 2.932 -12.296 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.947 4.448 -11.033 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.982 5.828 -11.517 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.954 5.738 -12.922 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.552 5.372 -13.907 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.311 3.228 -12.660 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.587 3.879 -14.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.210 2.291 -14.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.943 3.223 -14.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.630 1.975 -13.381 1.00 0.00 H new ATOM 555 N ASP A 37 -2.113 3.305 -11.958 1.00 0.00 N ATOM 556 CA ASP A 37 -0.963 2.470 -12.284 1.00 0.00 C ATOM 557 C ASP A 37 -0.194 2.133 -11.011 1.00 0.00 C ATOM 558 O ASP A 37 0.478 1.105 -10.928 1.00 0.00 O ATOM 559 CB ASP A 37 -0.047 3.185 -13.279 1.00 0.00 C ATOM 560 CG ASP A 37 1.152 2.342 -13.670 1.00 0.00 C ATOM 561 OD1 ASP A 37 1.934 1.970 -12.769 1.00 0.00 O ATOM 562 OD2 ASP A 37 1.309 2.055 -14.875 1.00 0.00 O ATOM 0 H ASP A 37 -2.117 4.218 -12.413 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.317 1.547 -12.744 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.615 3.440 -14.173 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.298 4.122 -12.842 1.00 0.00 H new ATOM 567 N ILE A 38 -0.314 3.010 -10.016 1.00 0.00 N ATOM 568 CA ILE A 38 0.350 2.819 -8.736 1.00 0.00 C ATOM 569 C ILE A 38 -0.187 1.572 -8.041 1.00 0.00 C ATOM 570 O ILE A 38 0.561 0.638 -7.746 1.00 0.00 O ATOM 571 CB ILE A 38 0.138 4.040 -7.817 1.00 0.00 C ATOM 572 CG1 ILE A 38 0.582 5.325 -8.522 1.00 0.00 C ATOM 573 CG2 ILE A 38 0.896 3.861 -6.508 1.00 0.00 C ATOM 574 CD1 ILE A 38 2.057 5.363 -8.841 1.00 0.00 C ATOM 0 H ILE A 38 -0.869 3.863 -10.076 1.00 0.00 H new ATOM 0 HA ILE A 38 1.416 2.700 -8.929 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.925 4.120 -7.591 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.016 5.436 -9.447 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.333 6.179 -7.892 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.735 4.732 -5.872 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.535 2.968 -5.998 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.961 3.755 -6.716 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.297 6.302 -9.339 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.631 5.285 -7.918 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.309 4.530 -9.497 1.00 0.00 H new ATOM 586 N ALA A 39 -1.494 1.562 -7.792 1.00 0.00 N ATOM 587 CA ALA A 39 -2.137 0.427 -7.138 1.00 0.00 C ATOM 588 C ALA A 39 -2.016 -0.833 -7.987 1.00 0.00 C ATOM 589 O ALA A 39 -2.155 -1.948 -7.483 1.00 0.00 O ATOM 590 CB ALA A 39 -3.600 0.740 -6.860 1.00 0.00 C ATOM 0 H ALA A 39 -2.127 2.325 -8.033 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.629 0.246 -6.191 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.069 -0.115 -6.372 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.668 1.612 -6.209 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.113 0.947 -7.799 1.00 0.00 H new ATOM 596 N ALA A 40 -1.754 -0.652 -9.279 1.00 0.00 N ATOM 597 CA ALA A 40 -1.613 -1.777 -10.194 1.00 0.00 C ATOM 598 C ALA A 40 -0.243 -2.420 -10.061 1.00 0.00 C ATOM 599 O ALA A 40 -0.122 -3.641 -10.036 1.00 0.00 O ATOM 600 CB ALA A 40 -1.856 -1.329 -11.627 1.00 0.00 C ATOM 0 H ALA A 40 -1.635 0.263 -9.714 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.362 -2.524 -9.931 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.747 -2.181 -12.298 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.864 -0.924 -11.716 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.131 -0.560 -11.896 1.00 0.00 H new ATOM 606 N TYR A 41 0.789 -1.596 -9.967 1.00 0.00 N ATOM 607 CA TYR A 41 2.148 -2.102 -9.826 1.00 0.00 C ATOM 608 C TYR A 41 2.324 -2.751 -8.457 1.00 0.00 C ATOM 609 O TYR A 41 3.120 -3.674 -8.291 1.00 0.00 O ATOM 610 CB TYR A 41 3.164 -0.970 -10.010 1.00 0.00 C ATOM 611 CG TYR A 41 4.610 -1.426 -10.060 1.00 0.00 C ATOM 612 CD1 TYR A 41 4.942 -2.775 -10.147 1.00 0.00 C ATOM 613 CD2 TYR A 41 5.646 -0.500 -10.027 1.00 0.00 C ATOM 614 CE1 TYR A 41 6.261 -3.184 -10.196 1.00 0.00 C ATOM 615 CE2 TYR A 41 6.967 -0.903 -10.077 1.00 0.00 C ATOM 616 CZ TYR A 41 7.269 -2.245 -10.160 1.00 0.00 C ATOM 617 OH TYR A 41 8.585 -2.649 -10.210 1.00 0.00 O ATOM 0 H TYR A 41 0.714 -0.579 -9.985 1.00 0.00 H new ATOM 0 HA TYR A 41 2.323 -2.851 -10.598 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.932 -0.437 -10.932 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.048 -0.258 -9.192 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.155 -3.514 -10.177 1.00 0.00 H new ATOM 0 HD2 TYR A 41 5.415 0.553 -9.961 1.00 0.00 H new ATOM 0 HE1 TYR A 41 6.501 -4.235 -10.262 1.00 0.00 H new ATOM 0 HE2 TYR A 41 7.759 -0.169 -10.051 1.00 0.00 H new ATOM 0 HH TYR A 41 9.170 -1.863 -10.176 1.00 0.00 H new ATOM 627 N ILE A 42 1.555 -2.276 -7.487 1.00 0.00 N ATOM 628 CA ILE A 42 1.603 -2.820 -6.140 1.00 0.00 C ATOM 629 C ILE A 42 0.738 -4.068 -6.066 1.00 0.00 C ATOM 630 O ILE A 42 1.156 -5.106 -5.546 1.00 0.00 O ATOM 631 CB ILE A 42 1.111 -1.793 -5.100 1.00 0.00 C ATOM 632 CG1 ILE A 42 1.939 -0.509 -5.189 1.00 0.00 C ATOM 633 CG2 ILE A 42 1.183 -2.376 -3.696 1.00 0.00 C ATOM 634 CD1 ILE A 42 1.405 0.611 -4.324 1.00 0.00 C ATOM 0 H ILE A 42 0.889 -1.513 -7.610 1.00 0.00 H new ATOM 0 HA ILE A 42 2.640 -3.067 -5.911 1.00 0.00 H new ATOM 0 HB ILE A 42 0.071 -1.552 -5.318 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.966 -0.727 -4.896 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.968 -0.175 -6.226 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.832 -1.636 -2.976 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.555 -3.265 -3.639 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.214 -2.645 -3.466 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.039 1.491 -4.435 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.388 0.855 -4.632 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.402 0.295 -3.281 1.00 0.00 H new ATOM 646 N LYS A 43 -0.468 -3.961 -6.612 1.00 0.00 N ATOM 647 CA LYS A 43 -1.398 -5.077 -6.634 1.00 0.00 C ATOM 648 C LYS A 43 -0.879 -6.175 -7.553 1.00 0.00 C ATOM 649 O LYS A 43 -1.128 -7.356 -7.323 1.00 0.00 O ATOM 650 CB LYS A 43 -2.783 -4.612 -7.090 1.00 0.00 C ATOM 651 CG LYS A 43 -3.824 -5.718 -7.095 1.00 0.00 C ATOM 652 CD LYS A 43 -5.196 -5.190 -7.485 1.00 0.00 C ATOM 653 CE LYS A 43 -5.181 -4.577 -8.877 1.00 0.00 C ATOM 654 NZ LYS A 43 -4.783 -5.566 -9.915 1.00 0.00 N ATOM 0 H LYS A 43 -0.823 -3.109 -7.046 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.485 -5.477 -5.624 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.121 -3.809 -6.435 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.705 -4.194 -8.093 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.522 -6.500 -7.792 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.876 -6.175 -6.107 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.923 -6.002 -7.451 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.519 -4.443 -6.760 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.170 -4.183 -9.111 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.490 -3.734 -8.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.130 -5.253 -10.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.746 -5.644 -9.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.194 -6.494 -9.686 1.00 0.00 H new ATOM 668 N LYS A 44 -0.144 -5.783 -8.592 1.00 0.00 N ATOM 669 CA LYS A 44 0.416 -6.754 -9.526 1.00 0.00 C ATOM 670 C LYS A 44 1.666 -7.403 -8.946 1.00 0.00 C ATOM 671 O LYS A 44 1.879 -8.604 -9.091 1.00 0.00 O ATOM 672 CB LYS A 44 0.743 -6.097 -10.870 1.00 0.00 C ATOM 673 CG LYS A 44 -0.482 -5.777 -11.712 1.00 0.00 C ATOM 674 CD LYS A 44 -1.192 -7.045 -12.162 1.00 0.00 C ATOM 675 CE LYS A 44 -2.348 -6.740 -13.101 1.00 0.00 C ATOM 676 NZ LYS A 44 -3.407 -5.926 -12.443 1.00 0.00 N ATOM 0 H LYS A 44 0.075 -4.810 -8.806 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.335 -7.526 -9.691 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.298 -5.176 -10.688 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.399 -6.758 -11.437 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.170 -5.158 -11.136 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.184 -5.196 -12.585 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.481 -7.702 -12.662 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.564 -7.583 -11.290 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.973 -6.207 -13.975 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.780 -7.675 -13.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.856 -5.306 -13.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.123 -6.557 -12.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.982 -5.345 -11.692 1.00 0.00 H new ATOM 690 N GLU A 45 2.492 -6.600 -8.283 1.00 0.00 N ATOM 691 CA GLU A 45 3.724 -7.097 -7.682 1.00 0.00 C ATOM 692 C GLU A 45 3.433 -8.205 -6.672 1.00 0.00 C ATOM 693 O GLU A 45 4.138 -9.212 -6.623 1.00 0.00 O ATOM 694 CB GLU A 45 4.482 -5.957 -7.001 1.00 0.00 C ATOM 695 CG GLU A 45 5.788 -6.392 -6.357 1.00 0.00 C ATOM 696 CD GLU A 45 6.525 -5.243 -5.699 1.00 0.00 C ATOM 697 OE1 GLU A 45 6.880 -4.280 -6.410 1.00 0.00 O ATOM 698 OE2 GLU A 45 6.748 -5.306 -4.471 1.00 0.00 O ATOM 0 H GLU A 45 2.330 -5.602 -8.148 1.00 0.00 H new ATOM 0 HA GLU A 45 4.343 -7.511 -8.478 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.691 -5.180 -7.737 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.842 -5.511 -6.240 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.583 -7.161 -5.612 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.429 -6.844 -7.114 1.00 0.00 H new ATOM 705 N PHE A 46 2.396 -8.011 -5.862 1.00 0.00 N ATOM 706 CA PHE A 46 2.024 -8.996 -4.849 1.00 0.00 C ATOM 707 C PHE A 46 1.186 -10.129 -5.441 1.00 0.00 C ATOM 708 O PHE A 46 1.425 -11.301 -5.152 1.00 0.00 O ATOM 709 CB PHE A 46 1.262 -8.320 -3.706 1.00 0.00 C ATOM 710 CG PHE A 46 2.126 -7.456 -2.829 1.00 0.00 C ATOM 711 CD1 PHE A 46 2.856 -6.407 -3.365 1.00 0.00 C ATOM 712 CD2 PHE A 46 2.205 -7.696 -1.467 1.00 0.00 C ATOM 713 CE1 PHE A 46 3.651 -5.614 -2.556 1.00 0.00 C ATOM 714 CE2 PHE A 46 2.998 -6.907 -0.654 1.00 0.00 C ATOM 715 CZ PHE A 46 3.721 -5.865 -1.199 1.00 0.00 C ATOM 0 H PHE A 46 1.800 -7.184 -5.886 1.00 0.00 H new ATOM 0 HA PHE A 46 2.945 -9.432 -4.460 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.462 -7.710 -4.126 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.790 -9.087 -3.092 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.804 -6.206 -4.425 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.641 -8.509 -1.035 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.216 -4.800 -2.985 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.052 -7.106 0.406 1.00 0.00 H new ATOM 0 HZ PHE A 46 4.340 -5.247 -0.566 1.00 0.00 H new ATOM 725 N ASP A 47 0.198 -9.779 -6.259 1.00 0.00 N ATOM 726 CA ASP A 47 -0.675 -10.777 -6.873 1.00 0.00 C ATOM 727 C ASP A 47 0.069 -11.635 -7.894 1.00 0.00 C ATOM 728 O ASP A 47 -0.323 -12.770 -8.164 1.00 0.00 O ATOM 729 CB ASP A 47 -1.872 -10.099 -7.543 1.00 0.00 C ATOM 730 CG ASP A 47 -2.818 -9.469 -6.539 1.00 0.00 C ATOM 731 OD1 ASP A 47 -2.353 -8.665 -5.704 1.00 0.00 O ATOM 732 OD2 ASP A 47 -4.028 -9.774 -6.593 1.00 0.00 O ATOM 0 H ASP A 47 -0.019 -8.815 -6.512 1.00 0.00 H new ATOM 0 HA ASP A 47 -1.026 -11.432 -6.076 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.514 -9.333 -8.231 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -2.415 -10.833 -8.138 1.00 0.00 H new ATOM 737 N LYS A 48 1.137 -11.089 -8.467 1.00 0.00 N ATOM 738 CA LYS A 48 1.918 -11.815 -9.465 1.00 0.00 C ATOM 739 C LYS A 48 2.714 -12.957 -8.835 1.00 0.00 C ATOM 740 O LYS A 48 3.115 -13.894 -9.524 1.00 0.00 O ATOM 741 CB LYS A 48 2.867 -10.862 -10.195 1.00 0.00 C ATOM 742 CG LYS A 48 3.718 -11.544 -11.256 1.00 0.00 C ATOM 743 CD LYS A 48 4.736 -10.594 -11.873 1.00 0.00 C ATOM 744 CE LYS A 48 4.074 -9.460 -12.644 1.00 0.00 C ATOM 745 NZ LYS A 48 3.425 -8.465 -11.743 1.00 0.00 N ATOM 0 H LYS A 48 1.481 -10.151 -8.260 1.00 0.00 H new ATOM 0 HA LYS A 48 1.217 -12.246 -10.180 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.283 -10.070 -10.663 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.523 -10.386 -9.466 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.238 -12.393 -10.812 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.071 -11.940 -12.039 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.364 -10.177 -11.086 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.391 -11.152 -12.542 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.821 -8.957 -13.258 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.328 -9.873 -13.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.621 -7.504 -12.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.398 -8.626 -11.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.803 -8.570 -10.780 1.00 0.00 H new ATOM 759 N LYS A 49 2.950 -12.874 -7.528 1.00 0.00 N ATOM 760 CA LYS A 49 3.710 -13.908 -6.831 1.00 0.00 C ATOM 761 C LYS A 49 2.939 -14.484 -5.642 1.00 0.00 C ATOM 762 O LYS A 49 3.405 -15.421 -4.994 1.00 0.00 O ATOM 763 CB LYS A 49 5.050 -13.344 -6.354 1.00 0.00 C ATOM 764 CG LYS A 49 5.928 -12.828 -7.484 1.00 0.00 C ATOM 765 CD LYS A 49 7.249 -12.289 -6.962 1.00 0.00 C ATOM 766 CE LYS A 49 8.051 -13.369 -6.252 1.00 0.00 C ATOM 767 NZ LYS A 49 8.352 -14.518 -7.149 1.00 0.00 N ATOM 0 H LYS A 49 2.629 -12.109 -6.935 1.00 0.00 H new ATOM 0 HA LYS A 49 3.882 -14.719 -7.539 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.864 -12.533 -5.650 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.589 -14.120 -5.811 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.118 -13.632 -8.195 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.402 -12.042 -8.025 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.832 -11.887 -7.791 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.060 -11.464 -6.275 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.984 -12.944 -5.881 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.495 -13.722 -5.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.075 -15.122 -6.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.486 -15.072 -7.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.706 -14.163 -8.060 1.00 0.00 H new ATOM 781 N TYR A 50 1.765 -13.926 -5.352 1.00 0.00 N ATOM 782 CA TYR A 50 0.958 -14.404 -4.233 1.00 0.00 C ATOM 783 C TYR A 50 -0.489 -14.663 -4.649 1.00 0.00 C ATOM 784 O TYR A 50 -1.330 -14.990 -3.811 1.00 0.00 O ATOM 785 CB TYR A 50 1.001 -13.400 -3.080 1.00 0.00 C ATOM 786 CG TYR A 50 2.390 -13.179 -2.522 1.00 0.00 C ATOM 787 CD1 TYR A 50 3.403 -12.650 -3.312 1.00 0.00 C ATOM 788 CD2 TYR A 50 2.689 -13.507 -1.204 1.00 0.00 C ATOM 789 CE1 TYR A 50 4.674 -12.453 -2.806 1.00 0.00 C ATOM 790 CE2 TYR A 50 3.956 -13.311 -0.691 1.00 0.00 C ATOM 791 CZ TYR A 50 4.945 -12.784 -1.495 1.00 0.00 C ATOM 792 OH TYR A 50 6.209 -12.589 -0.988 1.00 0.00 O ATOM 0 H TYR A 50 1.355 -13.150 -5.871 1.00 0.00 H new ATOM 0 HA TYR A 50 1.384 -15.351 -3.902 1.00 0.00 H new ATOM 0 HB2 TYR A 50 0.601 -12.446 -3.424 1.00 0.00 H new ATOM 0 HB3 TYR A 50 0.348 -13.750 -2.280 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.194 -12.388 -4.339 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.918 -13.922 -0.572 1.00 0.00 H new ATOM 0 HE1 TYR A 50 5.451 -12.042 -3.434 1.00 0.00 H new ATOM 0 HE2 TYR A 50 4.172 -13.569 0.335 1.00 0.00 H new ATOM 0 HH TYR A 50 6.631 -11.831 -1.444 1.00 0.00 H new ATOM 802 N ASN A 51 -0.777 -14.525 -5.942 1.00 0.00 N ATOM 803 CA ASN A 51 -2.125 -14.754 -6.450 1.00 0.00 C ATOM 804 C ASN A 51 -3.130 -13.808 -5.793 1.00 0.00 C ATOM 805 O ASN A 51 -2.892 -13.304 -4.695 1.00 0.00 O ATOM 806 CB ASN A 51 -2.540 -16.208 -6.203 1.00 0.00 C ATOM 807 CG ASN A 51 -1.628 -17.195 -6.902 1.00 0.00 C ATOM 808 OD1 ASN A 51 -0.425 -17.235 -6.647 1.00 0.00 O ATOM 809 ND2 ASN A 51 -2.199 -18.001 -7.790 1.00 0.00 N ATOM 0 H ASN A 51 -0.097 -14.257 -6.653 1.00 0.00 H new ATOM 0 HA ASN A 51 -2.120 -14.556 -7.522 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.534 -16.408 -5.131 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.563 -16.355 -6.549 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -1.636 -18.688 -8.292 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.201 -17.933 -7.970 1.00 0.00 H new ATOM 816 N PRO A 52 -4.270 -13.556 -6.459 1.00 0.00 N ATOM 817 CA PRO A 52 -5.313 -12.665 -5.932 1.00 0.00 C ATOM 818 C PRO A 52 -5.873 -13.161 -4.598 1.00 0.00 C ATOM 819 O PRO A 52 -5.513 -14.245 -4.140 1.00 0.00 O ATOM 820 CB PRO A 52 -6.400 -12.692 -7.015 1.00 0.00 C ATOM 821 CG PRO A 52 -6.123 -13.921 -7.815 1.00 0.00 C ATOM 822 CD PRO A 52 -4.636 -14.113 -7.770 1.00 0.00 C ATOM 0 HA PRO A 52 -4.929 -11.665 -5.729 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -7.396 -12.726 -6.573 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.358 -11.799 -7.638 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -6.641 -14.784 -7.397 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.471 -13.806 -8.841 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.362 -15.165 -7.852 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -4.137 -13.589 -8.585 1.00 0.00 H new ATOM 830 N THR A 53 -6.754 -12.372 -3.965 1.00 0.00 N ATOM 831 CA THR A 53 -7.194 -11.079 -4.493 1.00 0.00 C ATOM 832 C THR A 53 -6.900 -9.958 -3.501 1.00 0.00 C ATOM 833 O THR A 53 -7.315 -10.014 -2.343 1.00 0.00 O ATOM 834 CB THR A 53 -8.692 -11.118 -4.802 1.00 0.00 C ATOM 835 OG1 THR A 53 -9.130 -9.871 -5.316 1.00 0.00 O ATOM 836 CG2 THR A 53 -9.544 -11.441 -3.595 1.00 0.00 C ATOM 0 H THR A 53 -7.180 -12.616 -3.071 1.00 0.00 H new ATOM 0 HA THR A 53 -6.642 -10.882 -5.412 1.00 0.00 H new ATOM 0 HB THR A 53 -8.815 -11.914 -5.536 1.00 0.00 H new ATOM 0 HG1 THR A 53 -10.090 -9.916 -5.509 1.00 0.00 H new ATOM 0 HG21 THR A 53 -10.595 -11.453 -3.884 1.00 0.00 H new ATOM 0 HG22 THR A 53 -9.264 -12.419 -3.204 1.00 0.00 H new ATOM 0 HG23 THR A 53 -9.388 -10.684 -2.826 1.00 0.00 H new ATOM 844 N TRP A 54 -6.184 -8.941 -3.966 1.00 0.00 N ATOM 845 CA TRP A 54 -5.832 -7.801 -3.125 1.00 0.00 C ATOM 846 C TRP A 54 -6.456 -6.526 -3.679 1.00 0.00 C ATOM 847 O TRP A 54 -7.262 -6.572 -4.608 1.00 0.00 O ATOM 848 CB TRP A 54 -4.311 -7.641 -3.057 1.00 0.00 C ATOM 849 CG TRP A 54 -3.578 -8.923 -2.793 1.00 0.00 C ATOM 850 CD1 TRP A 54 -3.630 -10.063 -3.543 1.00 0.00 C ATOM 851 CD2 TRP A 54 -2.679 -9.196 -1.711 1.00 0.00 C ATOM 852 NE1 TRP A 54 -2.821 -11.027 -2.995 1.00 0.00 N ATOM 853 CE2 TRP A 54 -2.226 -10.521 -1.870 1.00 0.00 C ATOM 854 CE3 TRP A 54 -2.211 -8.451 -0.623 1.00 0.00 C ATOM 855 CZ2 TRP A 54 -1.330 -11.113 -0.984 1.00 0.00 C ATOM 856 CZ3 TRP A 54 -1.324 -9.043 0.253 1.00 0.00 C ATOM 857 CH2 TRP A 54 -0.892 -10.362 0.070 1.00 0.00 C ATOM 0 H TRP A 54 -5.835 -8.882 -4.923 1.00 0.00 H new ATOM 0 HA TRP A 54 -6.217 -7.981 -2.121 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.957 -7.218 -3.997 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.065 -6.925 -2.273 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.222 -10.188 -4.438 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.685 -11.968 -3.366 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.537 -7.433 -0.472 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.993 -12.129 -1.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.956 -8.478 1.096 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.199 -10.795 0.776 1.00 0.00 H new ATOM 868 N HIS A 55 -6.077 -5.388 -3.111 1.00 0.00 N ATOM 869 CA HIS A 55 -6.601 -4.106 -3.564 1.00 0.00 C ATOM 870 C HIS A 55 -5.908 -2.953 -2.849 1.00 0.00 C ATOM 871 O HIS A 55 -6.494 -2.297 -1.989 1.00 0.00 O ATOM 872 CB HIS A 55 -8.112 -4.041 -3.333 1.00 0.00 C ATOM 873 CG HIS A 55 -8.746 -2.793 -3.865 1.00 0.00 C ATOM 874 ND1 HIS A 55 -9.492 -1.846 -3.249 1.00 0.00 N flip ATOM 875 CD2 HIS A 55 -8.655 -2.407 -5.186 1.00 0.00 C flip ATOM 876 CE1 HIS A 55 -9.834 -0.915 -4.199 1.00 0.00 C flip ATOM 877 NE2 HIS A 55 -9.317 -1.277 -5.358 1.00 0.00 N flip ATOM 0 H HIS A 55 -5.412 -5.326 -2.340 1.00 0.00 H new ATOM 0 HA HIS A 55 -6.402 -4.014 -4.632 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -8.581 -4.906 -3.803 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -8.311 -4.113 -2.264 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -8.125 -2.944 -5.959 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -10.429 -0.031 -4.026 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -9.412 -0.770 -6.238 1.00 0.00 H new ATOM 886 N CYS A 56 -4.653 -2.713 -3.215 1.00 0.00 N ATOM 887 CA CYS A 56 -3.874 -1.638 -2.611 1.00 0.00 C ATOM 888 C CYS A 56 -4.549 -0.290 -2.831 1.00 0.00 C ATOM 889 O CYS A 56 -4.905 0.061 -3.956 1.00 0.00 O ATOM 890 CB CYS A 56 -2.460 -1.616 -3.195 1.00 0.00 C ATOM 891 SG CYS A 56 -1.396 -0.325 -2.507 1.00 0.00 S ATOM 0 H CYS A 56 -4.154 -3.248 -3.926 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.814 -1.823 -1.539 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -1.993 -2.586 -3.024 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -2.526 -1.480 -4.274 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.347 0.681 -3.329 1.00 0.00 H new ATOM 897 N ILE A 57 -4.725 0.461 -1.750 1.00 0.00 N ATOM 898 CA ILE A 57 -5.358 1.771 -1.828 1.00 0.00 C ATOM 899 C ILE A 57 -4.315 2.875 -1.858 1.00 0.00 C ATOM 900 O ILE A 57 -3.255 2.753 -1.248 1.00 0.00 O ATOM 901 CB ILE A 57 -6.302 2.012 -0.637 1.00 0.00 C ATOM 902 CG1 ILE A 57 -7.273 0.846 -0.488 1.00 0.00 C ATOM 903 CG2 ILE A 57 -7.066 3.314 -0.811 1.00 0.00 C ATOM 904 CD1 ILE A 57 -8.043 0.537 -1.753 1.00 0.00 C ATOM 0 H ILE A 57 -4.439 0.185 -0.811 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.938 1.789 -2.751 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.700 2.086 0.268 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.719 -0.042 -0.184 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.979 1.071 0.312 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.727 3.465 0.042 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.362 4.143 -0.875 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.658 3.269 -1.725 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.714 -0.303 -1.574 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -8.625 1.410 -2.047 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.345 0.281 -2.550 1.00 0.00 H new ATOM 916 N VAL A 58 -4.631 3.952 -2.564 1.00 0.00 N ATOM 917 CA VAL A 58 -3.724 5.088 -2.676 1.00 0.00 C ATOM 918 C VAL A 58 -4.436 6.389 -2.312 1.00 0.00 C ATOM 919 O VAL A 58 -4.615 7.270 -3.154 1.00 0.00 O ATOM 920 CB VAL A 58 -3.142 5.206 -4.099 1.00 0.00 C ATOM 921 CG1 VAL A 58 -2.151 6.357 -4.184 1.00 0.00 C ATOM 922 CG2 VAL A 58 -2.485 3.897 -4.515 1.00 0.00 C ATOM 0 H VAL A 58 -5.510 4.064 -3.069 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.906 4.916 -1.977 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.961 5.414 -4.788 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.754 6.421 -5.197 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.655 7.290 -3.932 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.334 6.186 -3.484 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.079 3.997 -5.522 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.679 3.658 -3.821 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.226 3.097 -4.500 1.00 0.00 H new ATOM 932 N GLY A 59 -4.840 6.501 -1.051 1.00 0.00 N ATOM 933 CA GLY A 59 -5.527 7.693 -0.595 1.00 0.00 C ATOM 934 C GLY A 59 -5.838 7.647 0.887 1.00 0.00 C ATOM 935 O GLY A 59 -4.985 7.965 1.716 1.00 0.00 O ATOM 0 H GLY A 59 -4.703 5.786 -0.337 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.912 8.568 -0.808 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.455 7.811 -1.155 1.00 0.00 H new ATOM 939 N ARG A 60 -7.063 7.253 1.225 1.00 0.00 N ATOM 940 CA ARG A 60 -7.481 7.170 2.613 1.00 0.00 C ATOM 941 C ARG A 60 -7.978 5.762 2.951 1.00 0.00 C ATOM 942 O ARG A 60 -7.229 4.943 3.480 1.00 0.00 O ATOM 943 CB ARG A 60 -8.569 8.210 2.891 1.00 0.00 C ATOM 944 CG ARG A 60 -9.157 8.111 4.283 1.00 0.00 C ATOM 945 CD ARG A 60 -10.189 9.199 4.532 1.00 0.00 C ATOM 946 NE ARG A 60 -10.746 9.129 5.882 1.00 0.00 N ATOM 947 CZ ARG A 60 -11.655 9.978 6.353 1.00 0.00 C ATOM 948 NH1 ARG A 60 -12.113 10.964 5.590 1.00 0.00 N ATOM 949 NH2 ARG A 60 -12.108 9.843 7.592 1.00 0.00 N ATOM 0 H ARG A 60 -7.782 6.987 0.552 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.621 7.380 3.249 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.152 9.207 2.751 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.368 8.093 2.159 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.619 7.133 4.415 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.360 8.189 5.022 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.730 10.176 4.380 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -10.994 9.108 3.803 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.418 8.386 6.499 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -11.768 11.074 4.637 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -12.810 11.612 5.958 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.759 9.088 8.183 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -12.805 10.494 7.954 1.00 0.00 H new ATOM 963 N ASN A 61 -9.245 5.492 2.648 1.00 0.00 N ATOM 964 CA ASN A 61 -9.835 4.182 2.929 1.00 0.00 C ATOM 965 C ASN A 61 -10.971 3.850 1.959 1.00 0.00 C ATOM 966 O ASN A 61 -11.736 2.913 2.187 1.00 0.00 O ATOM 967 CB ASN A 61 -10.376 4.147 4.364 1.00 0.00 C ATOM 968 CG ASN A 61 -11.647 4.977 4.576 1.00 0.00 C ATOM 969 OD1 ASN A 61 -12.073 5.745 3.567 1.00 0.00 O flip ATOM 970 ND2 ASN A 61 -12.238 4.937 5.654 1.00 0.00 N flip ATOM 0 H ASN A 61 -9.882 6.158 2.210 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.049 3.438 2.804 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -10.581 3.112 4.638 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -9.602 4.508 5.041 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.889 4.342 6.405 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.077 5.499 5.797 1.00 0.00 H new ATOM 977 N PHE A 62 -11.106 4.646 0.904 1.00 0.00 N ATOM 978 CA PHE A 62 -12.179 4.458 -0.060 1.00 0.00 C ATOM 979 C PHE A 62 -12.289 3.007 -0.534 1.00 0.00 C ATOM 980 O PHE A 62 -13.351 2.576 -0.982 1.00 0.00 O ATOM 981 CB PHE A 62 -11.994 5.383 -1.268 1.00 0.00 C ATOM 982 CG PHE A 62 -10.661 5.239 -1.949 1.00 0.00 C ATOM 983 CD1 PHE A 62 -9.525 5.824 -1.413 1.00 0.00 C ATOM 984 CD2 PHE A 62 -10.544 4.506 -3.120 1.00 0.00 C ATOM 985 CE1 PHE A 62 -8.299 5.681 -2.032 1.00 0.00 C ATOM 986 CE2 PHE A 62 -9.319 4.362 -3.744 1.00 0.00 C ATOM 987 CZ PHE A 62 -8.194 4.952 -3.199 1.00 0.00 C ATOM 0 H PHE A 62 -10.484 5.428 0.696 1.00 0.00 H new ATOM 0 HA PHE A 62 -13.106 4.712 0.453 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -12.784 5.181 -1.992 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -12.115 6.416 -0.943 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -9.599 6.398 -0.501 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -11.420 4.042 -3.549 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -7.421 6.140 -1.602 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -9.241 3.789 -4.656 1.00 0.00 H new ATOM 0 HZ PHE A 62 -7.236 4.843 -3.685 1.00 0.00 H new ATOM 997 N GLY A 63 -11.192 2.259 -0.444 1.00 0.00 N ATOM 998 CA GLY A 63 -11.207 0.873 -0.883 1.00 0.00 C ATOM 999 C GLY A 63 -10.850 -0.104 0.221 1.00 0.00 C ATOM 1000 O GLY A 63 -10.071 -1.032 0.010 1.00 0.00 O ATOM 0 H GLY A 63 -10.298 2.585 -0.077 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -12.197 0.631 -1.268 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.505 0.752 -1.708 1.00 0.00 H new ATOM 1004 N SER A 64 -11.423 0.102 1.400 1.00 0.00 N ATOM 1005 CA SER A 64 -11.164 -0.771 2.537 1.00 0.00 C ATOM 1006 C SER A 64 -12.215 -1.873 2.623 1.00 0.00 C ATOM 1007 O SER A 64 -12.962 -1.960 3.599 1.00 0.00 O ATOM 1008 CB SER A 64 -11.143 0.040 3.835 1.00 0.00 C ATOM 1009 OG SER A 64 -10.135 1.035 3.798 1.00 0.00 O ATOM 0 H SER A 64 -12.070 0.866 1.594 1.00 0.00 H new ATOM 0 HA SER A 64 -10.188 -1.236 2.395 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.115 0.508 3.991 1.00 0.00 H new ATOM 0 HB3 SER A 64 -10.971 -0.626 4.681 1.00 0.00 H new ATOM 0 HG SER A 64 -9.560 0.890 3.018 1.00 0.00 H new ATOM 1015 N TYR A 65 -12.274 -2.711 1.592 1.00 0.00 N ATOM 1016 CA TYR A 65 -13.242 -3.804 1.553 1.00 0.00 C ATOM 1017 C TYR A 65 -12.552 -5.158 1.713 1.00 0.00 C ATOM 1018 O TYR A 65 -13.021 -6.167 1.190 1.00 0.00 O ATOM 1019 CB TYR A 65 -14.039 -3.773 0.242 1.00 0.00 C ATOM 1020 CG TYR A 65 -13.335 -4.412 -0.942 1.00 0.00 C ATOM 1021 CD1 TYR A 65 -12.100 -3.953 -1.389 1.00 0.00 C ATOM 1022 CD2 TYR A 65 -13.916 -5.482 -1.613 1.00 0.00 C ATOM 1023 CE1 TYR A 65 -11.469 -4.542 -2.469 1.00 0.00 C ATOM 1024 CE2 TYR A 65 -13.289 -6.074 -2.692 1.00 0.00 C ATOM 1025 CZ TYR A 65 -12.066 -5.601 -3.115 1.00 0.00 C ATOM 1026 OH TYR A 65 -11.440 -6.187 -4.190 1.00 0.00 O ATOM 0 H TYR A 65 -11.666 -2.655 0.775 1.00 0.00 H new ATOM 0 HA TYR A 65 -13.929 -3.668 2.388 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -14.991 -4.280 0.399 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -14.267 -2.736 -0.004 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -11.627 -3.124 -0.884 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -14.874 -5.857 -1.285 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -10.511 -4.173 -2.805 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -13.755 -6.904 -3.202 1.00 0.00 H new ATOM 0 HH TYR A 65 -11.993 -6.921 -4.531 1.00 0.00 H new ATOM 1036 N VAL A 66 -11.437 -5.170 2.432 1.00 0.00 N ATOM 1037 CA VAL A 66 -10.686 -6.400 2.651 1.00 0.00 C ATOM 1038 C VAL A 66 -10.613 -6.756 4.134 1.00 0.00 C ATOM 1039 O VAL A 66 -10.405 -7.915 4.491 1.00 0.00 O ATOM 1040 CB VAL A 66 -9.255 -6.292 2.091 1.00 0.00 C ATOM 1041 CG1 VAL A 66 -8.508 -7.606 2.260 1.00 0.00 C ATOM 1042 CG2 VAL A 66 -9.287 -5.871 0.629 1.00 0.00 C ATOM 0 H VAL A 66 -11.033 -4.344 2.873 1.00 0.00 H new ATOM 0 HA VAL A 66 -11.221 -7.188 2.121 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.722 -5.528 2.656 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.500 -7.506 1.857 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.452 -7.859 3.319 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -9.035 -8.396 1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -8.268 -5.799 0.249 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -9.840 -6.611 0.049 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -9.776 -4.901 0.540 1.00 0.00 H new ATOM 1052 N THR A 67 -10.787 -5.756 4.996 1.00 0.00 N ATOM 1053 CA THR A 67 -10.739 -5.975 6.439 1.00 0.00 C ATOM 1054 C THR A 67 -11.606 -7.163 6.837 1.00 0.00 C ATOM 1055 O THR A 67 -11.336 -7.835 7.833 1.00 0.00 O ATOM 1056 CB THR A 67 -11.202 -4.721 7.182 1.00 0.00 C ATOM 1057 OG1 THR A 67 -10.389 -3.611 6.845 1.00 0.00 O ATOM 1058 CG2 THR A 67 -11.174 -4.870 8.688 1.00 0.00 C ATOM 0 H THR A 67 -10.962 -4.789 4.721 1.00 0.00 H new ATOM 0 HA THR A 67 -9.707 -6.192 6.714 1.00 0.00 H new ATOM 0 HB THR A 67 -12.234 -4.566 6.869 1.00 0.00 H new ATOM 0 HG1 THR A 67 -10.701 -2.818 7.329 1.00 0.00 H new ATOM 0 HG21 THR A 67 -11.514 -3.944 9.152 1.00 0.00 H new ATOM 0 HG22 THR A 67 -11.831 -5.687 8.985 1.00 0.00 H new ATOM 0 HG23 THR A 67 -10.156 -5.086 9.013 1.00 0.00 H new ATOM 1066 N HIS A 68 -12.641 -7.425 6.042 1.00 0.00 N ATOM 1067 CA HIS A 68 -13.543 -8.544 6.297 1.00 0.00 C ATOM 1068 C HIS A 68 -12.753 -9.809 6.630 1.00 0.00 C ATOM 1069 O HIS A 68 -13.228 -10.678 7.360 1.00 0.00 O ATOM 1070 CB HIS A 68 -14.434 -8.782 5.078 1.00 0.00 C ATOM 1071 CG HIS A 68 -15.417 -9.900 5.258 1.00 0.00 C ATOM 1072 ND1 HIS A 68 -15.039 -11.210 5.475 1.00 0.00 N ATOM 1073 CD2 HIS A 68 -16.770 -9.897 5.256 1.00 0.00 C ATOM 1074 CE1 HIS A 68 -16.118 -11.962 5.596 1.00 0.00 C ATOM 1075 NE2 HIS A 68 -17.181 -11.191 5.469 1.00 0.00 N ATOM 0 H HIS A 68 -12.875 -6.876 5.215 1.00 0.00 H new ATOM 0 HA HIS A 68 -14.170 -8.298 7.154 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -14.978 -7.865 4.852 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -13.804 -9.000 4.216 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -14.077 -11.545 5.533 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -17.408 -9.038 5.114 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -16.128 -13.028 5.770 1.00 0.00 H new ATOM 1084 N GLU A 69 -11.535 -9.892 6.096 1.00 0.00 N ATOM 1085 CA GLU A 69 -10.667 -11.033 6.340 1.00 0.00 C ATOM 1086 C GLU A 69 -9.514 -10.632 7.251 1.00 0.00 C ATOM 1087 O GLU A 69 -9.427 -11.082 8.393 1.00 0.00 O ATOM 1088 CB GLU A 69 -10.125 -11.586 5.021 1.00 0.00 C ATOM 1089 CG GLU A 69 -11.209 -12.055 4.065 1.00 0.00 C ATOM 1090 CD GLU A 69 -12.055 -13.173 4.646 1.00 0.00 C ATOM 1091 OE1 GLU A 69 -11.488 -14.237 4.974 1.00 0.00 O ATOM 1092 OE2 GLU A 69 -13.282 -12.983 4.775 1.00 0.00 O ATOM 0 H GLU A 69 -11.130 -9.178 5.490 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.251 -11.812 6.830 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.529 -10.816 4.531 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.455 -12.419 5.234 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.852 -11.213 3.809 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.748 -12.397 3.138 1.00 0.00 H new ATOM 1099 N THR A 70 -8.635 -9.780 6.727 1.00 0.00 N ATOM 1100 CA THR A 70 -7.471 -9.288 7.469 1.00 0.00 C ATOM 1101 C THR A 70 -6.344 -10.312 7.453 1.00 0.00 C ATOM 1102 O THR A 70 -5.286 -10.095 8.044 1.00 0.00 O ATOM 1103 CB THR A 70 -7.845 -8.973 8.914 1.00 0.00 C ATOM 1104 OG1 THR A 70 -9.038 -8.210 8.970 1.00 0.00 O ATOM 1105 CG2 THR A 70 -6.778 -8.202 9.658 1.00 0.00 C ATOM 0 H THR A 70 -8.707 -9.411 5.779 1.00 0.00 H new ATOM 0 HA THR A 70 -7.130 -8.376 6.979 1.00 0.00 H new ATOM 0 HB THR A 70 -7.971 -9.944 9.393 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.455 -8.189 8.083 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.111 -8.013 10.679 1.00 0.00 H new ATOM 0 HG22 THR A 70 -5.857 -8.784 9.679 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.596 -7.253 9.154 1.00 0.00 H new ATOM 1113 N LYS A 71 -6.581 -11.436 6.786 1.00 0.00 N ATOM 1114 CA LYS A 71 -5.592 -12.500 6.706 1.00 0.00 C ATOM 1115 C LYS A 71 -4.211 -11.946 6.349 1.00 0.00 C ATOM 1116 O LYS A 71 -3.187 -12.510 6.732 1.00 0.00 O ATOM 1117 CB LYS A 71 -6.023 -13.549 5.678 1.00 0.00 C ATOM 1118 CG LYS A 71 -5.231 -14.844 5.757 1.00 0.00 C ATOM 1119 CD LYS A 71 -5.446 -15.547 7.087 1.00 0.00 C ATOM 1120 CE LYS A 71 -4.657 -16.845 7.164 1.00 0.00 C ATOM 1121 NZ LYS A 71 -5.052 -17.798 6.091 1.00 0.00 N ATOM 0 H LYS A 71 -7.452 -11.632 6.293 1.00 0.00 H new ATOM 0 HA LYS A 71 -5.524 -12.971 7.687 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.081 -13.771 5.820 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.917 -13.129 4.678 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.529 -15.504 4.943 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.170 -14.632 5.623 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.145 -14.888 7.901 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.507 -15.756 7.222 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.592 -16.628 7.083 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.815 -17.309 8.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.663 -18.739 6.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.089 -17.856 6.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.681 -17.466 5.178 1.00 0.00 H new ATOM 1135 N HIS A 72 -4.198 -10.830 5.625 1.00 0.00 N ATOM 1136 CA HIS A 72 -2.952 -10.178 5.223 1.00 0.00 C ATOM 1137 C HIS A 72 -3.196 -8.704 4.926 1.00 0.00 C ATOM 1138 O HIS A 72 -3.583 -8.343 3.815 1.00 0.00 O ATOM 1139 CB HIS A 72 -2.342 -10.847 3.985 1.00 0.00 C ATOM 1140 CG HIS A 72 -1.876 -12.252 4.204 1.00 0.00 C ATOM 1141 ND1 HIS A 72 -2.736 -13.320 4.353 1.00 0.00 N ATOM 1142 CD2 HIS A 72 -0.625 -12.763 4.300 1.00 0.00 C ATOM 1143 CE1 HIS A 72 -2.034 -14.426 4.530 1.00 0.00 C ATOM 1144 NE2 HIS A 72 -0.751 -14.115 4.502 1.00 0.00 N ATOM 0 H HIS A 72 -5.041 -10.355 5.302 1.00 0.00 H new ATOM 0 HA HIS A 72 -2.251 -10.276 6.052 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -3.082 -10.844 3.184 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.499 -10.247 3.642 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.300 -12.209 4.231 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.441 -15.416 4.673 1.00 0.00 H new ATOM 0 HE2 HIS A 72 0.021 -14.772 4.612 1.00 0.00 H new ATOM 1153 N PHE A 73 -2.985 -7.858 5.926 1.00 0.00 N ATOM 1154 CA PHE A 73 -3.199 -6.424 5.762 1.00 0.00 C ATOM 1155 C PHE A 73 -1.915 -5.636 6.040 1.00 0.00 C ATOM 1156 O PHE A 73 -1.073 -6.066 6.829 1.00 0.00 O ATOM 1157 CB PHE A 73 -4.316 -5.957 6.709 1.00 0.00 C ATOM 1158 CG PHE A 73 -3.824 -5.508 8.059 1.00 0.00 C ATOM 1159 CD1 PHE A 73 -3.118 -4.324 8.180 1.00 0.00 C ATOM 1160 CD2 PHE A 73 -4.053 -6.266 9.195 1.00 0.00 C ATOM 1161 CE1 PHE A 73 -2.649 -3.898 9.402 1.00 0.00 C ATOM 1162 CE2 PHE A 73 -3.586 -5.845 10.428 1.00 0.00 C ATOM 1163 CZ PHE A 73 -2.883 -4.659 10.531 1.00 0.00 C ATOM 0 H PHE A 73 -2.668 -8.137 6.855 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.492 -6.237 4.729 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.857 -5.136 6.239 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.028 -6.771 6.845 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -2.932 -3.724 7.301 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -4.601 -7.194 9.118 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -2.100 -2.971 9.478 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -3.771 -6.442 11.309 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.518 -4.328 11.492 1.00 0.00 H new ATOM 1173 N ILE A 74 -1.785 -4.469 5.412 1.00 0.00 N ATOM 1174 CA ILE A 74 -0.613 -3.617 5.622 1.00 0.00 C ATOM 1175 C ILE A 74 -0.952 -2.141 5.391 1.00 0.00 C ATOM 1176 O ILE A 74 -1.376 -1.760 4.297 1.00 0.00 O ATOM 1177 CB ILE A 74 0.553 -4.026 4.695 1.00 0.00 C ATOM 1178 CG1 ILE A 74 1.813 -3.227 5.036 1.00 0.00 C ATOM 1179 CG2 ILE A 74 0.174 -3.824 3.235 1.00 0.00 C ATOM 1180 CD1 ILE A 74 2.978 -3.506 4.110 1.00 0.00 C ATOM 0 H ILE A 74 -2.471 -4.092 4.758 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.304 -3.752 6.658 1.00 0.00 H new ATOM 0 HB ILE A 74 0.761 -5.084 4.852 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.579 -2.163 5.001 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.111 -3.454 6.060 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.009 -4.118 2.598 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.697 -4.435 2.997 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.062 -2.774 3.062 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.835 -2.905 4.412 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.240 -4.563 4.163 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.699 -3.252 3.087 1.00 0.00 H new ATOM 1192 N TYR A 75 -0.763 -1.308 6.421 1.00 0.00 N ATOM 1193 CA TYR A 75 -1.048 0.122 6.307 1.00 0.00 C ATOM 1194 C TYR A 75 0.235 0.942 6.262 1.00 0.00 C ATOM 1195 O TYR A 75 1.182 0.677 7.004 1.00 0.00 O ATOM 1196 CB TYR A 75 -1.903 0.615 7.480 1.00 0.00 C ATOM 1197 CG TYR A 75 -3.313 0.070 7.509 1.00 0.00 C ATOM 1198 CD1 TYR A 75 -3.555 -1.276 7.728 1.00 0.00 C ATOM 1199 CD2 TYR A 75 -4.403 0.912 7.322 1.00 0.00 C ATOM 1200 CE1 TYR A 75 -4.846 -1.774 7.762 1.00 0.00 C ATOM 1201 CE2 TYR A 75 -5.694 0.424 7.354 1.00 0.00 C ATOM 1202 CZ TYR A 75 -5.911 -0.918 7.575 1.00 0.00 C ATOM 1203 OH TYR A 75 -7.197 -1.408 7.610 1.00 0.00 O ATOM 0 H TYR A 75 -0.417 -1.599 7.335 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.597 0.257 5.375 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.405 0.347 8.412 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.950 1.703 7.445 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -2.723 -1.948 7.875 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -4.237 1.965 7.149 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -5.018 -2.826 7.934 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -6.530 1.092 7.206 1.00 0.00 H new ATOM 0 HH TYR A 75 -7.437 -1.761 6.728 1.00 0.00 H new ATOM 1213 N PHE A 76 0.251 1.956 5.403 1.00 0.00 N ATOM 1214 CA PHE A 76 1.405 2.838 5.276 1.00 0.00 C ATOM 1215 C PHE A 76 1.064 4.040 4.405 1.00 0.00 C ATOM 1216 O PHE A 76 0.649 3.889 3.256 1.00 0.00 O ATOM 1217 CB PHE A 76 2.613 2.085 4.709 1.00 0.00 C ATOM 1218 CG PHE A 76 2.390 1.494 3.346 1.00 0.00 C ATOM 1219 CD1 PHE A 76 1.412 0.533 3.141 1.00 0.00 C ATOM 1220 CD2 PHE A 76 3.165 1.893 2.269 1.00 0.00 C ATOM 1221 CE1 PHE A 76 1.214 -0.017 1.889 1.00 0.00 C ATOM 1222 CE2 PHE A 76 2.970 1.349 1.015 1.00 0.00 C ATOM 1223 CZ PHE A 76 1.993 0.392 0.825 1.00 0.00 C ATOM 0 H PHE A 76 -0.525 2.188 4.783 1.00 0.00 H new ATOM 0 HA PHE A 76 1.669 3.196 6.271 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.462 2.767 4.662 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.884 1.286 5.399 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.798 0.211 3.969 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.932 2.640 2.412 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.450 -0.766 1.743 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.580 1.671 0.184 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.838 -0.036 -0.154 1.00 0.00 H new ATOM 1233 N TYR A 77 1.224 5.239 4.964 1.00 0.00 N ATOM 1234 CA TYR A 77 0.912 6.461 4.230 1.00 0.00 C ATOM 1235 C TYR A 77 2.175 7.175 3.772 1.00 0.00 C ATOM 1236 O TYR A 77 3.191 7.177 4.467 1.00 0.00 O ATOM 1237 CB TYR A 77 0.049 7.399 5.085 1.00 0.00 C ATOM 1238 CG TYR A 77 0.757 8.004 6.278 1.00 0.00 C ATOM 1239 CD1 TYR A 77 1.774 8.937 6.111 1.00 0.00 C ATOM 1240 CD2 TYR A 77 0.397 7.650 7.571 1.00 0.00 C ATOM 1241 CE1 TYR A 77 2.410 9.497 7.202 1.00 0.00 C ATOM 1242 CE2 TYR A 77 1.030 8.206 8.664 1.00 0.00 C ATOM 1243 CZ TYR A 77 2.036 9.130 8.476 1.00 0.00 C ATOM 1244 OH TYR A 77 2.668 9.686 9.564 1.00 0.00 O ATOM 0 H TYR A 77 1.565 5.388 5.914 1.00 0.00 H new ATOM 0 HA TYR A 77 0.348 6.177 3.342 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.321 8.206 4.453 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.821 6.847 5.439 1.00 0.00 H new ATOM 0 HD1 TYR A 77 2.071 9.228 5.114 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -0.391 6.928 7.724 1.00 0.00 H new ATOM 0 HE1 TYR A 77 3.198 10.221 7.056 1.00 0.00 H new ATOM 0 HE2 TYR A 77 0.738 7.918 9.663 1.00 0.00 H new ATOM 0 HH TYR A 77 2.284 9.320 10.388 1.00 0.00 H new ATOM 1254 N LEU A 78 2.098 7.786 2.595 1.00 0.00 N ATOM 1255 CA LEU A 78 3.228 8.513 2.029 1.00 0.00 C ATOM 1256 C LEU A 78 2.935 10.009 1.995 1.00 0.00 C ATOM 1257 O LEU A 78 2.081 10.465 1.234 1.00 0.00 O ATOM 1258 CB LEU A 78 3.531 8.008 0.617 1.00 0.00 C ATOM 1259 CG LEU A 78 3.798 6.506 0.509 1.00 0.00 C ATOM 1260 CD1 LEU A 78 4.121 6.125 -0.929 1.00 0.00 C ATOM 1261 CD2 LEU A 78 4.930 6.097 1.438 1.00 0.00 C ATOM 0 H LEU A 78 1.261 7.792 2.012 1.00 0.00 H new ATOM 0 HA LEU A 78 4.100 8.340 2.660 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.691 8.259 -0.030 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.400 8.544 0.235 1.00 0.00 H new ATOM 0 HG LEU A 78 2.897 5.973 0.812 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.308 5.053 -0.988 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.279 6.382 -1.571 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.007 6.667 -1.259 1.00 0.00 H new ATOM 0 HD21 LEU A 78 5.106 5.025 1.347 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.837 6.638 1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.660 6.335 2.467 1.00 0.00 H new ATOM 1273 N GLY A 79 3.643 10.767 2.824 1.00 0.00 N ATOM 1274 CA GLY A 79 3.437 12.203 2.869 1.00 0.00 C ATOM 1275 C GLY A 79 2.077 12.575 3.427 1.00 0.00 C ATOM 1276 O GLY A 79 1.964 12.993 4.579 1.00 0.00 O ATOM 0 H GLY A 79 4.354 10.414 3.464 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.215 12.660 3.481 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.539 12.614 1.864 1.00 0.00 H new ATOM 1280 N GLN A 80 1.042 12.421 2.608 1.00 0.00 N ATOM 1281 CA GLN A 80 -0.318 12.744 3.024 1.00 0.00 C ATOM 1282 C GLN A 80 -1.333 11.846 2.323 1.00 0.00 C ATOM 1283 O GLN A 80 -2.493 12.220 2.152 1.00 0.00 O ATOM 1284 CB GLN A 80 -0.633 14.215 2.732 1.00 0.00 C ATOM 1285 CG GLN A 80 -0.552 14.581 1.258 1.00 0.00 C ATOM 1286 CD GLN A 80 0.847 14.437 0.692 1.00 0.00 C ATOM 1287 OE1 GLN A 80 0.991 13.593 -0.323 1.00 0.00 O flip ATOM 1288 NE2 GLN A 80 1.789 15.077 1.162 1.00 0.00 N flip ATOM 0 H GLN A 80 1.119 12.074 1.652 1.00 0.00 H new ATOM 0 HA GLN A 80 -0.389 12.572 4.098 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.634 14.442 3.098 1.00 0.00 H new ATOM 0 HB3 GLN A 80 0.061 14.843 3.291 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -1.235 13.946 0.693 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -0.889 15.609 1.125 1.00 0.00 H new ATOM 0 HE21 GLN A 80 1.633 15.715 1.943 1.00 0.00 H new ATOM 0 HE22 GLN A 80 2.725 14.969 0.771 1.00 0.00 H new ATOM 1297 N VAL A 81 -0.890 10.657 1.919 1.00 0.00 N ATOM 1298 CA VAL A 81 -1.763 9.709 1.239 1.00 0.00 C ATOM 1299 C VAL A 81 -1.618 8.310 1.830 1.00 0.00 C ATOM 1300 O VAL A 81 -0.664 7.592 1.528 1.00 0.00 O ATOM 1301 CB VAL A 81 -1.464 9.652 -0.274 1.00 0.00 C ATOM 1302 CG1 VAL A 81 -2.417 8.699 -0.981 1.00 0.00 C ATOM 1303 CG2 VAL A 81 -1.539 11.044 -0.883 1.00 0.00 C ATOM 0 H VAL A 81 0.067 10.330 2.052 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.785 10.058 1.384 1.00 0.00 H new ATOM 0 HB VAL A 81 -0.451 9.272 -0.409 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.186 8.677 -2.046 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.306 7.698 -0.564 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.443 9.039 -0.840 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.326 10.986 -1.950 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.538 11.453 -0.734 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.807 11.692 -0.401 1.00 0.00 H new ATOM 1313 N ALA A 82 -2.569 7.932 2.678 1.00 0.00 N ATOM 1314 CA ALA A 82 -2.549 6.624 3.318 1.00 0.00 C ATOM 1315 C ALA A 82 -2.825 5.507 2.320 1.00 0.00 C ATOM 1316 O ALA A 82 -3.819 5.532 1.596 1.00 0.00 O ATOM 1317 CB ALA A 82 -3.557 6.578 4.455 1.00 0.00 C ATOM 0 H ALA A 82 -3.364 8.515 2.938 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.549 6.467 3.722 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.531 5.595 4.924 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.307 7.339 5.194 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.556 6.767 4.063 1.00 0.00 H new ATOM 1323 N ILE A 83 -1.932 4.522 2.297 1.00 0.00 N ATOM 1324 CA ILE A 83 -2.069 3.385 1.399 1.00 0.00 C ATOM 1325 C ILE A 83 -2.548 2.155 2.162 1.00 0.00 C ATOM 1326 O ILE A 83 -2.096 1.891 3.278 1.00 0.00 O ATOM 1327 CB ILE A 83 -0.736 3.062 0.690 1.00 0.00 C ATOM 1328 CG1 ILE A 83 -0.228 4.294 -0.060 1.00 0.00 C ATOM 1329 CG2 ILE A 83 -0.902 1.886 -0.265 1.00 0.00 C ATOM 1330 CD1 ILE A 83 1.107 4.079 -0.738 1.00 0.00 C ATOM 0 H ILE A 83 -1.104 4.490 2.892 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.807 3.654 0.644 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.001 2.783 1.445 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -0.965 4.583 -0.809 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.142 5.126 0.639 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.050 1.677 -0.753 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.225 1.007 0.293 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.650 2.132 -1.019 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.406 4.993 -1.250 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.857 3.820 0.009 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.021 3.269 -1.462 1.00 0.00 H new ATOM 1342 N LEU A 84 -3.465 1.411 1.557 1.00 0.00 N ATOM 1343 CA LEU A 84 -4.010 0.210 2.183 1.00 0.00 C ATOM 1344 C LEU A 84 -3.927 -0.999 1.265 1.00 0.00 C ATOM 1345 O LEU A 84 -4.732 -1.150 0.347 1.00 0.00 O ATOM 1346 CB LEU A 84 -5.467 0.431 2.596 1.00 0.00 C ATOM 1347 CG LEU A 84 -5.661 1.075 3.966 1.00 0.00 C ATOM 1348 CD1 LEU A 84 -5.003 2.444 4.013 1.00 0.00 C ATOM 1349 CD2 LEU A 84 -7.142 1.178 4.299 1.00 0.00 C ATOM 0 H LEU A 84 -3.848 1.617 0.634 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.403 0.011 3.066 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.950 1.057 1.846 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.981 -0.530 2.588 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.183 0.443 4.715 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.153 2.886 4.998 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.935 2.341 3.820 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.448 3.088 3.255 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.263 1.639 5.279 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.643 1.787 3.547 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -7.583 0.181 4.310 1.00 0.00 H new ATOM 1361 N LEU A 85 -2.969 -1.873 1.539 1.00 0.00 N ATOM 1362 CA LEU A 85 -2.804 -3.089 0.758 1.00 0.00 C ATOM 1363 C LEU A 85 -3.239 -4.283 1.595 1.00 0.00 C ATOM 1364 O LEU A 85 -2.625 -4.598 2.615 1.00 0.00 O ATOM 1365 CB LEU A 85 -1.354 -3.251 0.298 1.00 0.00 C ATOM 1366 CG LEU A 85 -1.045 -4.560 -0.431 1.00 0.00 C ATOM 1367 CD1 LEU A 85 -1.881 -4.681 -1.695 1.00 0.00 C ATOM 1368 CD2 LEU A 85 0.438 -4.648 -0.760 1.00 0.00 C ATOM 0 H LEU A 85 -2.295 -1.762 2.296 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.427 -3.027 -0.135 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.103 -2.419 -0.360 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.703 -3.176 1.169 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.302 -5.389 0.228 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.646 -5.619 -2.198 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.939 -4.664 -1.434 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.658 -3.847 -2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.641 -5.585 -1.278 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.719 -3.811 -1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.018 -4.611 0.162 1.00 0.00 H new ATOM 1380 N PHE A 86 -4.322 -4.927 1.182 1.00 0.00 N ATOM 1381 CA PHE A 86 -4.845 -6.062 1.926 1.00 0.00 C ATOM 1382 C PHE A 86 -5.030 -7.284 1.029 1.00 0.00 C ATOM 1383 O PHE A 86 -4.739 -7.242 -0.165 1.00 0.00 O ATOM 1384 CB PHE A 86 -6.182 -5.699 2.572 1.00 0.00 C ATOM 1385 CG PHE A 86 -6.196 -4.367 3.275 1.00 0.00 C ATOM 1386 CD1 PHE A 86 -5.177 -4.006 4.142 1.00 0.00 C ATOM 1387 CD2 PHE A 86 -7.250 -3.485 3.091 1.00 0.00 C ATOM 1388 CE1 PHE A 86 -5.208 -2.798 4.807 1.00 0.00 C ATOM 1389 CE2 PHE A 86 -7.284 -2.273 3.751 1.00 0.00 C ATOM 1390 CZ PHE A 86 -6.261 -1.930 4.612 1.00 0.00 C ATOM 0 H PHE A 86 -4.851 -4.685 0.344 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.118 -6.311 2.699 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -6.954 -5.697 1.803 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.448 -6.476 3.288 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.347 -4.680 4.299 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -8.055 -3.750 2.422 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.407 -2.532 5.481 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -8.109 -1.594 3.594 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.286 -0.984 5.132 1.00 0.00 H new ATOM 1400 N LYS A 87 -5.522 -8.369 1.623 1.00 0.00 N ATOM 1401 CA LYS A 87 -5.760 -9.609 0.892 1.00 0.00 C ATOM 1402 C LYS A 87 -6.894 -10.392 1.545 1.00 0.00 C ATOM 1403 O LYS A 87 -6.683 -11.095 2.533 1.00 0.00 O ATOM 1404 CB LYS A 87 -4.493 -10.465 0.865 1.00 0.00 C ATOM 1405 CG LYS A 87 -4.491 -11.548 -0.207 1.00 0.00 C ATOM 1406 CD LYS A 87 -5.606 -12.561 0.002 1.00 0.00 C ATOM 1407 CE LYS A 87 -5.508 -13.709 -0.991 1.00 0.00 C ATOM 1408 NZ LYS A 87 -4.219 -14.445 -0.862 1.00 0.00 N ATOM 0 H LYS A 87 -5.764 -8.413 2.613 1.00 0.00 H new ATOM 0 HA LYS A 87 -6.038 -9.358 -0.132 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.632 -9.815 0.709 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -4.365 -10.935 1.840 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.600 -11.086 -1.188 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.529 -12.061 -0.201 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -5.558 -12.952 1.018 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -6.572 -12.068 -0.104 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.337 -14.398 -0.832 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.605 -13.321 -2.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.309 -15.383 -1.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.465 -13.910 -1.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.982 -14.557 0.145 1.00 0.00 H new ATOM 1422 N SER A 88 -8.094 -10.268 0.992 1.00 0.00 N ATOM 1423 CA SER A 88 -9.251 -10.970 1.534 1.00 0.00 C ATOM 1424 C SER A 88 -9.179 -12.460 1.217 1.00 0.00 C ATOM 1425 O SER A 88 -9.808 -12.935 0.271 1.00 0.00 O ATOM 1426 CB SER A 88 -10.548 -10.382 0.969 1.00 0.00 C ATOM 1427 OG SER A 88 -11.681 -11.059 1.483 1.00 0.00 O ATOM 0 H SER A 88 -8.291 -9.692 0.174 1.00 0.00 H new ATOM 0 HA SER A 88 -9.244 -10.843 2.617 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.609 -9.323 1.218 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.540 -10.454 -0.119 1.00 0.00 H new ATOM 0 HG SER A 88 -12.496 -10.664 1.108 1.00 0.00 H new ATOM 1433 N GLY A 89 -8.406 -13.193 2.013 1.00 0.00 N ATOM 1434 CA GLY A 89 -8.267 -14.622 1.799 1.00 0.00 C ATOM 1435 C GLY A 89 -7.264 -15.254 2.743 1.00 0.00 C ATOM 1436 O GLY A 89 -6.049 -15.058 2.537 1.00 0.00 O ATOM 1437 OXT GLY A 89 -7.695 -15.947 3.689 1.00 0.00 O ATOM 0 H GLY A 89 -7.874 -12.823 2.801 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -9.237 -15.102 1.930 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.957 -14.804 0.770 1.00 0.00 H new TER 1441 GLY A 89