USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 860 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 22 MET CE :methyl 171:sc= -10.8! (180deg=-9.1!) USER MOD Set 1.2: A 74 ASN : amide:sc= -0.642 K(o=-14,f=-21!) USER MOD Set 1.3: A 76 GLN : amide:sc= -2.64 K(o=-14,f=-18!) USER MOD Set 1.4: A 77 TYR OH : rot -140:sc= -0.387 USER MOD Set 2.1: A 33 TYR OH : rot -130:sc= 0.616 USER MOD Set 2.2: A 64 LYS NZ :NH3+ -117:sc= 0.00797 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 165:sc= -0.583 (180deg=-0.969) USER MOD Single : A 15 LYS NZ :NH3+ -143:sc= -0.347 (180deg=-1.42!) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.363 USER MOD Single : A 25 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0537) USER MOD Single : A 26 LYS NZ :NH3+ 144:sc= -3.11! (180deg=-5.92!) USER MOD Single : A 37 CYS SG : rot 180:sc= -0.0155 USER MOD Single : A 39 HIS : no HD1:sc= -0.0803 X(o=-0.08,f=-0.08) USER MOD Single : A 40 CYS SG : rot 180:sc= -1.29 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -1.89 K(o=-1.9,f=-5.6!) USER MOD Single : A 47 TYR OH : rot -166:sc= -0.556 USER MOD Single : A 48 THR OG1 : rot 71:sc= 0.563 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 148:sc= -0.834 (180deg=-1.36) USER MOD Single : A 54 TYR OH : rot -156:sc= -0.949 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -163:sc= -0.124 (180deg=-0.848) USER MOD Single : A 68 THR OG1 : rot 150:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0.0372 K(o=0.037,f=-1.3) USER MOD Single : A 73 THR OG1 : rot -172:sc= 0.71 USER MOD Single : A 78 LYS NZ :NH3+ 161:sc= -0.0415 (180deg=-0.251) USER MOD Single : A 84 THR OG1 : rot -57:sc= 0.914 USER MOD Single : A 86 TYR OH : rot -154:sc= 0.228 USER MOD Single : A 90 SER OG : rot 4:sc= 0.897 USER MOD Single : A 93 LYS NZ :NH3+ 151:sc= -1.73 (180deg=-2.23) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.571) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 SER OG : rot -100:sc= 0.68 USER MOD Single : A 111 LYS NZ :NH3+ -163:sc= 1.27 (180deg=1.19) USER MOD Single : A 116 HIS :FLIP no HD1:sc= -5.26! C(o=-6.3!,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 7.954 4.404 -12.680 1.00 0.00 N ATOM 67 CA PRO A 8 7.881 2.955 -12.474 1.00 0.00 C ATOM 68 C PRO A 8 6.600 2.534 -11.762 1.00 0.00 C ATOM 69 O PRO A 8 5.975 1.537 -12.123 1.00 0.00 O ATOM 70 CB PRO A 8 9.101 2.659 -11.598 1.00 0.00 C ATOM 71 CG PRO A 8 9.375 3.939 -10.886 1.00 0.00 C ATOM 72 CD PRO A 8 8.985 5.035 -11.839 1.00 0.00 C ATOM 0 HA PRO A 8 7.874 2.410 -13.418 1.00 0.00 H new ATOM 0 HB2 PRO A 8 8.897 1.851 -10.895 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.955 2.350 -12.200 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.800 4.002 -9.962 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.427 4.016 -10.613 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.596 5.906 -11.312 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.835 5.374 -12.431 1.00 0.00 H new ATOM 80 N VAL A 9 6.213 3.302 -10.747 1.00 0.00 N ATOM 81 CA VAL A 9 5.005 3.009 -9.985 1.00 0.00 C ATOM 82 C VAL A 9 3.762 3.119 -10.862 1.00 0.00 C ATOM 83 O VAL A 9 3.435 4.195 -11.362 1.00 0.00 O ATOM 84 CB VAL A 9 4.856 3.960 -8.782 1.00 0.00 C ATOM 85 CG1 VAL A 9 3.622 3.603 -7.969 1.00 0.00 C ATOM 86 CG2 VAL A 9 6.106 3.920 -7.915 1.00 0.00 C ATOM 0 H VAL A 9 6.719 4.131 -10.434 1.00 0.00 H new ATOM 0 HA VAL A 9 5.101 1.986 -9.621 1.00 0.00 H new ATOM 0 HB VAL A 9 4.733 4.976 -9.157 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.533 4.285 -7.124 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.735 3.687 -8.598 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.711 2.581 -7.602 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.984 4.597 -7.070 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.262 2.906 -7.548 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.969 4.228 -8.506 1.00 0.00 H new ATOM 96 N LYS A 10 3.072 1.998 -11.043 1.00 0.00 N ATOM 97 CA LYS A 10 1.863 1.966 -11.858 1.00 0.00 C ATOM 98 C LYS A 10 0.700 2.632 -11.131 1.00 0.00 C ATOM 99 O LYS A 10 0.542 2.478 -9.919 1.00 0.00 O ATOM 100 CB LYS A 10 1.499 0.523 -12.211 1.00 0.00 C ATOM 101 CG LYS A 10 0.038 0.337 -12.583 1.00 0.00 C ATOM 102 CD LYS A 10 -0.147 -0.812 -13.560 1.00 0.00 C ATOM 103 CE LYS A 10 -0.067 -0.336 -15.002 1.00 0.00 C ATOM 104 NZ LYS A 10 1.315 0.077 -15.375 1.00 0.00 N ATOM 0 H LYS A 10 3.330 1.099 -10.636 1.00 0.00 H new ATOM 0 HA LYS A 10 2.059 2.519 -12.777 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.122 0.193 -13.043 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.734 -0.120 -11.363 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.546 0.148 -11.683 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.346 1.257 -13.025 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.617 -1.568 -13.383 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.112 -1.287 -13.386 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.399 -1.134 -15.666 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.748 0.503 -15.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.388 0.150 -16.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.529 1.000 -14.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.994 -0.631 -15.029 1.00 0.00 H new ATOM 118 N VAL A 11 -0.114 3.372 -11.878 1.00 0.00 N ATOM 119 CA VAL A 11 -1.265 4.058 -11.304 1.00 0.00 C ATOM 120 C VAL A 11 -2.543 3.250 -11.502 1.00 0.00 C ATOM 121 O VAL A 11 -2.815 2.758 -12.597 1.00 0.00 O ATOM 122 CB VAL A 11 -1.453 5.455 -11.926 1.00 0.00 C ATOM 123 CG1 VAL A 11 -0.109 6.049 -12.320 1.00 0.00 C ATOM 124 CG2 VAL A 11 -2.385 5.382 -13.126 1.00 0.00 C ATOM 0 H VAL A 11 0.003 3.511 -12.882 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.069 4.166 -10.237 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.907 6.108 -11.181 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.261 7.036 -12.758 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.523 6.138 -11.436 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.376 5.400 -13.049 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.507 6.377 -13.553 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.961 4.715 -13.876 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.356 5.002 -12.810 1.00 0.00 H new ATOM 134 N VAL A 12 -3.324 3.117 -10.435 1.00 0.00 N ATOM 135 CA VAL A 12 -4.574 2.369 -10.492 1.00 0.00 C ATOM 136 C VAL A 12 -5.757 3.246 -10.098 1.00 0.00 C ATOM 137 O VAL A 12 -5.779 3.828 -9.013 1.00 0.00 O ATOM 138 CB VAL A 12 -4.533 1.137 -9.569 1.00 0.00 C ATOM 139 CG1 VAL A 12 -5.891 0.451 -9.532 1.00 0.00 C ATOM 140 CG2 VAL A 12 -3.450 0.169 -10.020 1.00 0.00 C ATOM 0 H VAL A 12 -3.113 3.517 -9.521 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.698 2.038 -11.523 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.293 1.470 -8.559 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.842 -0.417 -8.875 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.641 1.148 -9.157 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.164 0.130 -10.537 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.435 -0.696 -9.356 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.656 -0.159 -11.039 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.481 0.667 -9.989 1.00 0.00 H new ATOM 150 N VAL A 13 -6.741 3.336 -10.987 1.00 0.00 N ATOM 151 CA VAL A 13 -7.930 4.142 -10.732 1.00 0.00 C ATOM 152 C VAL A 13 -9.032 3.307 -10.089 1.00 0.00 C ATOM 153 O VAL A 13 -8.840 2.128 -9.795 1.00 0.00 O ATOM 154 CB VAL A 13 -8.470 4.772 -12.029 1.00 0.00 C ATOM 155 CG1 VAL A 13 -7.499 5.816 -12.560 1.00 0.00 C ATOM 156 CG2 VAL A 13 -8.732 3.697 -13.074 1.00 0.00 C ATOM 0 H VAL A 13 -6.739 2.861 -11.890 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.633 4.936 -10.047 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.414 5.268 -11.806 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.897 6.250 -13.477 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.365 6.600 -11.815 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.538 5.346 -12.769 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.113 4.160 -13.984 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.803 3.171 -13.296 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.467 2.989 -12.691 1.00 0.00 H new ATOM 166 N GLY A 14 -10.188 3.928 -9.873 1.00 0.00 N ATOM 167 CA GLY A 14 -11.304 3.227 -9.266 1.00 0.00 C ATOM 168 C GLY A 14 -11.894 2.173 -10.182 1.00 0.00 C ATOM 169 O GLY A 14 -12.373 1.136 -9.721 1.00 0.00 O ATOM 0 H GLY A 14 -10.371 4.904 -10.108 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.973 2.756 -8.341 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.078 3.946 -8.998 1.00 0.00 H new ATOM 173 N LYS A 15 -11.861 2.437 -11.484 1.00 0.00 N ATOM 174 CA LYS A 15 -12.397 1.504 -12.468 1.00 0.00 C ATOM 175 C LYS A 15 -11.418 0.362 -12.724 1.00 0.00 C ATOM 176 O LYS A 15 -11.773 -0.650 -13.329 1.00 0.00 O ATOM 177 CB LYS A 15 -12.700 2.233 -13.779 1.00 0.00 C ATOM 178 CG LYS A 15 -11.496 2.362 -14.696 1.00 0.00 C ATOM 179 CD LYS A 15 -11.827 3.168 -15.941 1.00 0.00 C ATOM 180 CE LYS A 15 -11.545 4.649 -15.737 1.00 0.00 C ATOM 181 NZ LYS A 15 -12.591 5.303 -14.903 1.00 0.00 N ATOM 0 H LYS A 15 -11.468 3.290 -11.882 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.321 1.085 -12.070 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.492 1.701 -14.306 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -13.081 3.229 -13.552 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.678 2.841 -14.158 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.150 1.370 -14.985 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -11.241 2.797 -16.782 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -12.877 3.028 -16.198 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.572 4.771 -15.261 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.490 5.145 -16.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.767 6.265 -15.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.470 4.750 -14.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -12.267 5.352 -13.916 1.00 0.00 H new ATOM 195 N THR A 16 -10.185 0.530 -12.257 1.00 0.00 N ATOM 196 CA THR A 16 -9.156 -0.487 -12.435 1.00 0.00 C ATOM 197 C THR A 16 -8.579 -0.926 -11.094 1.00 0.00 C ATOM 198 O THR A 16 -7.535 -1.576 -11.038 1.00 0.00 O ATOM 199 CB THR A 16 -8.011 0.023 -13.330 1.00 0.00 C ATOM 200 OG1 THR A 16 -7.279 1.051 -12.653 1.00 0.00 O ATOM 201 CG2 THR A 16 -8.552 0.562 -14.646 1.00 0.00 C ATOM 0 H THR A 16 -9.875 1.361 -11.753 1.00 0.00 H new ATOM 0 HA THR A 16 -9.634 -1.339 -12.919 1.00 0.00 H new ATOM 0 HB THR A 16 -7.347 -0.814 -13.543 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.552 1.368 -13.229 1.00 0.00 H new ATOM 0 HG21 THR A 16 -7.725 0.916 -15.261 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.083 -0.231 -15.173 1.00 0.00 H new ATOM 0 HG23 THR A 16 -9.236 1.387 -14.448 1.00 0.00 H new ATOM 209 N PHE A 17 -9.266 -0.568 -10.014 1.00 0.00 N ATOM 210 CA PHE A 17 -8.822 -0.926 -8.672 1.00 0.00 C ATOM 211 C PHE A 17 -9.123 -2.391 -8.372 1.00 0.00 C ATOM 212 O PHE A 17 -8.247 -3.139 -7.936 1.00 0.00 O ATOM 213 CB PHE A 17 -9.500 -0.031 -7.632 1.00 0.00 C ATOM 214 CG PHE A 17 -9.277 -0.482 -6.217 1.00 0.00 C ATOM 215 CD1 PHE A 17 -10.048 -1.494 -5.669 1.00 0.00 C ATOM 216 CD2 PHE A 17 -8.297 0.107 -5.434 1.00 0.00 C ATOM 217 CE1 PHE A 17 -9.846 -1.911 -4.367 1.00 0.00 C ATOM 218 CE2 PHE A 17 -8.090 -0.307 -4.132 1.00 0.00 C ATOM 219 CZ PHE A 17 -8.866 -1.316 -3.597 1.00 0.00 C ATOM 0 H PHE A 17 -10.132 -0.030 -10.042 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.743 -0.777 -8.622 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.128 0.988 -7.743 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -10.571 -0.003 -7.831 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.816 -1.963 -6.266 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -7.688 0.898 -5.846 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -10.454 -2.701 -3.952 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.321 0.159 -3.533 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.707 -1.639 -2.579 1.00 0.00 H new ATOM 229 N ASP A 18 -10.367 -2.793 -8.607 1.00 0.00 N ATOM 230 CA ASP A 18 -10.785 -4.169 -8.362 1.00 0.00 C ATOM 231 C ASP A 18 -10.167 -5.115 -9.387 1.00 0.00 C ATOM 232 O ASP A 18 -10.288 -6.334 -9.274 1.00 0.00 O ATOM 233 CB ASP A 18 -12.310 -4.276 -8.405 1.00 0.00 C ATOM 234 CG ASP A 18 -12.952 -3.931 -7.075 1.00 0.00 C ATOM 235 OD1 ASP A 18 -13.267 -2.742 -6.860 1.00 0.00 O ATOM 236 OD2 ASP A 18 -13.139 -4.849 -6.251 1.00 0.00 O ATOM 0 H ASP A 18 -11.104 -2.186 -8.967 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.436 -4.458 -7.371 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -12.697 -3.609 -9.176 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -12.592 -5.290 -8.690 1.00 0.00 H new ATOM 241 N ALA A 19 -9.506 -4.544 -10.389 1.00 0.00 N ATOM 242 CA ALA A 19 -8.868 -5.336 -11.433 1.00 0.00 C ATOM 243 C ALA A 19 -7.379 -5.512 -11.157 1.00 0.00 C ATOM 244 O ALA A 19 -6.842 -6.613 -11.279 1.00 0.00 O ATOM 245 CB ALA A 19 -9.082 -4.686 -12.793 1.00 0.00 C ATOM 0 H ALA A 19 -9.399 -3.536 -10.499 1.00 0.00 H new ATOM 0 HA ALA A 19 -9.328 -6.324 -11.438 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.600 -5.288 -13.564 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.150 -4.618 -13.000 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.649 -3.686 -12.790 1.00 0.00 H new ATOM 251 N ILE A 20 -6.718 -4.421 -10.786 1.00 0.00 N ATOM 252 CA ILE A 20 -5.290 -4.456 -10.493 1.00 0.00 C ATOM 253 C ILE A 20 -5.040 -4.671 -9.004 1.00 0.00 C ATOM 254 O ILE A 20 -4.571 -5.731 -8.589 1.00 0.00 O ATOM 255 CB ILE A 20 -4.592 -3.157 -10.937 1.00 0.00 C ATOM 256 CG1 ILE A 20 -4.686 -2.995 -12.455 1.00 0.00 C ATOM 257 CG2 ILE A 20 -3.139 -3.157 -10.487 1.00 0.00 C ATOM 258 CD1 ILE A 20 -4.336 -1.605 -12.938 1.00 0.00 C ATOM 0 H ILE A 20 -7.148 -3.502 -10.681 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.873 -5.292 -11.054 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.097 -2.312 -10.469 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.020 -3.715 -12.931 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.699 -3.238 -12.776 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.659 -2.233 -10.808 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.095 -3.231 -9.400 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.621 -4.008 -10.930 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.424 -1.564 -14.024 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.018 -0.882 -12.491 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.313 -1.366 -12.648 1.00 0.00 H new ATOM 270 N VAL A 21 -5.359 -3.658 -8.204 1.00 0.00 N ATOM 271 CA VAL A 21 -5.171 -3.737 -6.760 1.00 0.00 C ATOM 272 C VAL A 21 -5.799 -5.005 -6.193 1.00 0.00 C ATOM 273 O VAL A 21 -5.382 -5.502 -5.147 1.00 0.00 O ATOM 274 CB VAL A 21 -5.779 -2.514 -6.048 1.00 0.00 C ATOM 275 CG1 VAL A 21 -5.502 -2.573 -4.553 1.00 0.00 C ATOM 276 CG2 VAL A 21 -5.238 -1.225 -6.648 1.00 0.00 C ATOM 0 H VAL A 21 -5.748 -2.774 -8.531 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.096 -3.756 -6.581 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.859 -2.531 -6.194 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.939 -1.701 -4.067 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.943 -3.479 -4.137 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.425 -2.582 -4.382 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.678 -0.371 -6.133 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.154 -1.198 -6.535 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.493 -1.181 -7.707 1.00 0.00 H new ATOM 286 N MET A 22 -6.804 -5.525 -6.890 1.00 0.00 N ATOM 287 CA MET A 22 -7.488 -6.737 -6.457 1.00 0.00 C ATOM 288 C MET A 22 -7.232 -7.884 -7.430 1.00 0.00 C ATOM 289 O MET A 22 -8.120 -8.695 -7.696 1.00 0.00 O ATOM 290 CB MET A 22 -8.992 -6.483 -6.333 1.00 0.00 C ATOM 291 CG MET A 22 -9.349 -5.454 -5.274 1.00 0.00 C ATOM 292 SD MET A 22 -9.263 -6.120 -3.601 1.00 0.00 S ATOM 293 CE MET A 22 -8.643 -4.700 -2.702 1.00 0.00 C ATOM 0 H MET A 22 -7.163 -5.125 -7.757 1.00 0.00 H new ATOM 0 HA MET A 22 -7.093 -7.018 -5.481 1.00 0.00 H new ATOM 0 HB2 MET A 22 -9.376 -6.149 -7.297 1.00 0.00 H new ATOM 0 HB3 MET A 22 -9.493 -7.422 -6.098 1.00 0.00 H new ATOM 0 HG2 MET A 22 -8.673 -4.603 -5.357 1.00 0.00 H new ATOM 0 HG3 MET A 22 -10.356 -5.080 -5.461 1.00 0.00 H new ATOM 0 HE1 MET A 22 -8.686 -4.900 -1.631 1.00 0.00 H new ATOM 0 HE2 MET A 22 -7.611 -4.507 -2.994 1.00 0.00 H new ATOM 0 HE3 MET A 22 -9.254 -3.828 -2.933 1.00 0.00 H new ATOM 303 N ASP A 23 -6.015 -7.944 -7.959 1.00 0.00 N ATOM 304 CA ASP A 23 -5.643 -8.992 -8.902 1.00 0.00 C ATOM 305 C ASP A 23 -5.103 -10.217 -8.170 1.00 0.00 C ATOM 306 O ASP A 23 -4.003 -10.206 -7.619 1.00 0.00 O ATOM 307 CB ASP A 23 -4.597 -8.471 -9.889 1.00 0.00 C ATOM 308 CG ASP A 23 -4.691 -9.147 -11.243 1.00 0.00 C ATOM 309 OD1 ASP A 23 -4.905 -10.377 -11.279 1.00 0.00 O ATOM 310 OD2 ASP A 23 -4.552 -8.446 -12.267 1.00 0.00 O ATOM 0 H ASP A 23 -5.270 -7.280 -7.751 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.537 -9.285 -9.452 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.723 -7.396 -10.014 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.601 -8.629 -9.476 1.00 0.00 H new ATOM 315 N PRO A 24 -5.896 -11.299 -8.161 1.00 0.00 N ATOM 316 CA PRO A 24 -5.520 -12.551 -7.499 1.00 0.00 C ATOM 317 C PRO A 24 -4.383 -13.268 -8.220 1.00 0.00 C ATOM 318 O PRO A 24 -3.983 -14.366 -7.831 1.00 0.00 O ATOM 319 CB PRO A 24 -6.802 -13.384 -7.561 1.00 0.00 C ATOM 320 CG PRO A 24 -7.545 -12.850 -8.736 1.00 0.00 C ATOM 321 CD PRO A 24 -7.221 -11.382 -8.798 1.00 0.00 C ATOM 0 HA PRO A 24 -5.154 -12.383 -6.486 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.580 -14.444 -7.682 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -7.384 -13.283 -6.645 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.241 -13.356 -9.653 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.618 -13.009 -8.625 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.197 -11.019 -9.825 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.961 -10.784 -8.266 1.00 0.00 H new ATOM 329 N LYS A 25 -3.866 -12.642 -9.271 1.00 0.00 N ATOM 330 CA LYS A 25 -2.774 -13.219 -10.046 1.00 0.00 C ATOM 331 C LYS A 25 -1.423 -12.845 -9.444 1.00 0.00 C ATOM 332 O LYS A 25 -0.401 -13.451 -9.763 1.00 0.00 O ATOM 333 CB LYS A 25 -2.846 -12.744 -11.499 1.00 0.00 C ATOM 334 CG LYS A 25 -4.080 -13.233 -12.238 1.00 0.00 C ATOM 335 CD LYS A 25 -3.831 -13.334 -13.733 1.00 0.00 C ATOM 336 CE LYS A 25 -3.016 -14.570 -14.080 1.00 0.00 C ATOM 337 NZ LYS A 25 -3.828 -15.815 -13.988 1.00 0.00 N ATOM 0 H LYS A 25 -4.186 -11.733 -9.606 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.876 -14.304 -10.019 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.830 -11.654 -11.518 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.957 -13.085 -12.029 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.375 -14.208 -11.851 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.910 -12.552 -12.052 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.784 -13.366 -14.260 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.306 -12.443 -14.077 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.618 -14.470 -15.090 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.162 -14.643 -13.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.299 -16.606 -14.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.031 -16.024 -12.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.722 -15.685 -14.503 1.00 0.00 H new ATOM 351 N LYS A 26 -1.427 -11.843 -8.571 1.00 0.00 N ATOM 352 CA LYS A 26 -0.202 -11.389 -7.922 1.00 0.00 C ATOM 353 C LYS A 26 -0.506 -10.325 -6.872 1.00 0.00 C ATOM 354 O LYS A 26 -1.481 -9.583 -6.991 1.00 0.00 O ATOM 355 CB LYS A 26 0.774 -10.832 -8.961 1.00 0.00 C ATOM 356 CG LYS A 26 0.215 -9.665 -9.756 1.00 0.00 C ATOM 357 CD LYS A 26 1.321 -8.750 -10.255 1.00 0.00 C ATOM 358 CE LYS A 26 1.901 -9.242 -11.571 1.00 0.00 C ATOM 359 NZ LYS A 26 3.239 -8.648 -11.845 1.00 0.00 N ATOM 0 H LYS A 26 -2.265 -11.330 -8.297 1.00 0.00 H new ATOM 0 HA LYS A 26 0.256 -12.245 -7.425 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.686 -10.513 -8.456 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.053 -11.630 -9.650 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.357 -10.042 -10.604 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.476 -9.097 -9.133 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.929 -7.741 -10.384 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.112 -8.692 -9.507 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.984 -10.329 -11.547 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.219 -8.992 -12.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.842 -9.353 -12.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.131 -7.818 -12.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.680 -8.358 -10.949 1.00 0.00 H new ATOM 373 N ASP A 27 0.336 -10.256 -5.846 1.00 0.00 N ATOM 374 CA ASP A 27 0.159 -9.281 -4.777 1.00 0.00 C ATOM 375 C ASP A 27 0.474 -7.872 -5.268 1.00 0.00 C ATOM 376 O ASP A 27 1.556 -7.615 -5.797 1.00 0.00 O ATOM 377 CB ASP A 27 1.052 -9.631 -3.586 1.00 0.00 C ATOM 378 CG ASP A 27 0.935 -11.087 -3.182 1.00 0.00 C ATOM 379 OD1 ASP A 27 0.365 -11.876 -3.964 1.00 0.00 O ATOM 380 OD2 ASP A 27 1.413 -11.438 -2.083 1.00 0.00 O ATOM 0 H ASP A 27 1.147 -10.864 -5.733 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.884 -9.311 -4.461 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.089 -9.409 -3.836 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.786 -8.999 -2.738 1.00 0.00 H new ATOM 385 N VAL A 28 -0.478 -6.962 -5.091 1.00 0.00 N ATOM 386 CA VAL A 28 -0.302 -5.578 -5.517 1.00 0.00 C ATOM 387 C VAL A 28 -0.345 -4.627 -4.326 1.00 0.00 C ATOM 388 O VAL A 28 -1.293 -4.642 -3.539 1.00 0.00 O ATOM 389 CB VAL A 28 -1.384 -5.161 -6.532 1.00 0.00 C ATOM 390 CG1 VAL A 28 -1.209 -3.704 -6.930 1.00 0.00 C ATOM 391 CG2 VAL A 28 -1.343 -6.066 -7.754 1.00 0.00 C ATOM 0 H VAL A 28 -1.379 -7.158 -4.656 1.00 0.00 H new ATOM 0 HA VAL A 28 0.676 -5.515 -5.994 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.361 -5.268 -6.061 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.982 -3.427 -7.647 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.292 -3.073 -6.045 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.227 -3.566 -7.383 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.113 -5.758 -8.461 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.365 -5.992 -8.229 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.522 -7.097 -7.449 1.00 0.00 H new ATOM 401 N LEU A 29 0.687 -3.801 -4.199 1.00 0.00 N ATOM 402 CA LEU A 29 0.768 -2.841 -3.103 1.00 0.00 C ATOM 403 C LEU A 29 0.181 -1.494 -3.515 1.00 0.00 C ATOM 404 O LEU A 29 0.816 -0.723 -4.234 1.00 0.00 O ATOM 405 CB LEU A 29 2.222 -2.663 -2.662 1.00 0.00 C ATOM 406 CG LEU A 29 2.446 -1.785 -1.430 1.00 0.00 C ATOM 407 CD1 LEU A 29 2.173 -2.570 -0.157 1.00 0.00 C ATOM 408 CD2 LEU A 29 3.863 -1.229 -1.422 1.00 0.00 C ATOM 0 H LEU A 29 1.479 -3.776 -4.841 1.00 0.00 H new ATOM 0 HA LEU A 29 0.186 -3.230 -2.267 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.644 -3.648 -2.463 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.784 -2.238 -3.494 1.00 0.00 H new ATOM 0 HG LEU A 29 1.748 -0.949 -1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.338 -1.928 0.709 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.140 -2.919 -0.159 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.845 -3.427 -0.107 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.005 -0.607 -0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.577 -2.053 -1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.024 -0.629 -2.318 1.00 0.00 H new ATOM 420 N ILE A 30 -1.034 -1.218 -3.052 1.00 0.00 N ATOM 421 CA ILE A 30 -1.705 0.036 -3.369 1.00 0.00 C ATOM 422 C ILE A 30 -1.460 1.080 -2.284 1.00 0.00 C ATOM 423 O ILE A 30 -1.632 0.807 -1.097 1.00 0.00 O ATOM 424 CB ILE A 30 -3.222 -0.164 -3.539 1.00 0.00 C ATOM 425 CG1 ILE A 30 -3.857 1.084 -4.156 1.00 0.00 C ATOM 426 CG2 ILE A 30 -3.868 -0.487 -2.200 1.00 0.00 C ATOM 427 CD1 ILE A 30 -3.419 1.344 -5.580 1.00 0.00 C ATOM 0 H ILE A 30 -1.573 -1.846 -2.456 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.286 0.389 -4.311 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.389 -1.005 -4.212 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.942 0.980 -4.131 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.606 1.950 -3.543 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.940 -0.625 -2.337 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.433 -1.402 -1.797 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.694 0.334 -1.505 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.909 2.244 -5.953 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.338 1.481 -5.609 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.694 0.495 -6.206 1.00 0.00 H new ATOM 439 N GLU A 31 -1.059 2.277 -2.702 1.00 0.00 N ATOM 440 CA GLU A 31 -0.792 3.362 -1.765 1.00 0.00 C ATOM 441 C GLU A 31 -1.647 4.583 -2.089 1.00 0.00 C ATOM 442 O GLU A 31 -1.464 5.227 -3.123 1.00 0.00 O ATOM 443 CB GLU A 31 0.690 3.740 -1.798 1.00 0.00 C ATOM 444 CG GLU A 31 1.021 4.978 -0.981 1.00 0.00 C ATOM 445 CD GLU A 31 2.328 5.621 -1.399 1.00 0.00 C ATOM 446 OE1 GLU A 31 3.350 4.906 -1.453 1.00 0.00 O ATOM 447 OE2 GLU A 31 2.330 6.840 -1.673 1.00 0.00 O ATOM 0 H GLU A 31 -0.912 2.519 -3.682 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.049 3.015 -0.764 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.279 2.901 -1.426 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.991 3.906 -2.832 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.214 5.703 -1.085 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.074 4.709 0.074 1.00 0.00 H new ATOM 454 N PHE A 32 -2.583 4.896 -1.199 1.00 0.00 N ATOM 455 CA PHE A 32 -3.468 6.039 -1.390 1.00 0.00 C ATOM 456 C PHE A 32 -2.743 7.346 -1.086 1.00 0.00 C ATOM 457 O PHE A 32 -2.459 7.657 0.072 1.00 0.00 O ATOM 458 CB PHE A 32 -4.704 5.909 -0.497 1.00 0.00 C ATOM 459 CG PHE A 32 -5.358 4.559 -0.571 1.00 0.00 C ATOM 460 CD1 PHE A 32 -5.690 4.002 -1.795 1.00 0.00 C ATOM 461 CD2 PHE A 32 -5.640 3.846 0.583 1.00 0.00 C ATOM 462 CE1 PHE A 32 -6.292 2.759 -1.868 1.00 0.00 C ATOM 463 CE2 PHE A 32 -6.241 2.603 0.518 1.00 0.00 C ATOM 464 CZ PHE A 32 -6.568 2.060 -0.709 1.00 0.00 C ATOM 0 H PHE A 32 -2.748 4.374 -0.338 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.782 6.053 -2.434 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -4.419 6.110 0.536 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.429 6.671 -0.781 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.476 4.545 -2.704 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.387 4.267 1.545 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.546 2.336 -2.829 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.455 2.057 1.425 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.039 1.090 -0.762 1.00 0.00 H new ATOM 474 N TYR A 33 -2.444 8.108 -2.132 1.00 0.00 N ATOM 475 CA TYR A 33 -1.749 9.380 -1.979 1.00 0.00 C ATOM 476 C TYR A 33 -2.691 10.551 -2.240 1.00 0.00 C ATOM 477 O TYR A 33 -3.644 10.435 -3.010 1.00 0.00 O ATOM 478 CB TYR A 33 -0.554 9.450 -2.931 1.00 0.00 C ATOM 479 CG TYR A 33 -0.945 9.545 -4.388 1.00 0.00 C ATOM 480 CD1 TYR A 33 -1.255 10.770 -4.966 1.00 0.00 C ATOM 481 CD2 TYR A 33 -1.006 8.410 -5.187 1.00 0.00 C ATOM 482 CE1 TYR A 33 -1.614 10.861 -6.297 1.00 0.00 C ATOM 483 CE2 TYR A 33 -1.363 8.492 -6.519 1.00 0.00 C ATOM 484 CZ TYR A 33 -1.666 9.720 -7.069 1.00 0.00 C ATOM 485 OH TYR A 33 -2.023 9.805 -8.395 1.00 0.00 O ATOM 0 H TYR A 33 -2.673 7.866 -3.096 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.391 9.448 -0.952 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.057 10.314 -2.670 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.067 8.566 -2.787 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.215 11.666 -4.365 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.770 7.447 -4.759 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.853 11.821 -6.730 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.405 7.600 -7.126 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.723 9.147 -8.588 1.00 0.00 H new ATOM 495 N ALA A 34 -2.416 11.679 -1.593 1.00 0.00 N ATOM 496 CA ALA A 34 -3.237 12.873 -1.756 1.00 0.00 C ATOM 497 C ALA A 34 -2.452 13.989 -2.438 1.00 0.00 C ATOM 498 O ALA A 34 -1.364 14.369 -2.006 1.00 0.00 O ATOM 499 CB ALA A 34 -3.761 13.342 -0.407 1.00 0.00 C ATOM 0 H ALA A 34 -1.631 11.791 -0.951 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.084 12.618 -2.393 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.372 14.234 -0.544 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.365 12.554 0.043 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.922 13.575 0.248 1.00 0.00 H new ATOM 505 N PRO A 35 -3.015 14.526 -3.531 1.00 0.00 N ATOM 506 CA PRO A 35 -2.385 15.606 -4.296 1.00 0.00 C ATOM 507 C PRO A 35 -2.372 16.926 -3.532 1.00 0.00 C ATOM 508 O PRO A 35 -1.887 17.940 -4.035 1.00 0.00 O ATOM 509 CB PRO A 35 -3.265 15.718 -5.543 1.00 0.00 C ATOM 510 CG PRO A 35 -4.593 15.195 -5.117 1.00 0.00 C ATOM 511 CD PRO A 35 -4.310 14.122 -4.103 1.00 0.00 C ATOM 0 HA PRO A 35 -1.338 15.394 -4.514 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -3.337 16.750 -5.885 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -2.857 15.136 -6.369 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -5.204 15.988 -4.686 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -5.145 14.793 -5.967 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.088 14.074 -3.341 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.255 13.137 -4.565 1.00 0.00 H new ATOM 519 N TRP A 36 -2.907 16.907 -2.317 1.00 0.00 N ATOM 520 CA TRP A 36 -2.957 18.103 -1.485 1.00 0.00 C ATOM 521 C TRP A 36 -2.237 17.875 -0.160 1.00 0.00 C ATOM 522 O TRP A 36 -2.399 18.646 0.786 1.00 0.00 O ATOM 523 CB TRP A 36 -4.409 18.510 -1.226 1.00 0.00 C ATOM 524 CG TRP A 36 -5.304 17.349 -0.913 1.00 0.00 C ATOM 525 CD1 TRP A 36 -6.151 16.711 -1.774 1.00 0.00 C ATOM 526 CD2 TRP A 36 -5.442 16.691 0.351 1.00 0.00 C ATOM 527 NE1 TRP A 36 -6.807 15.696 -1.121 1.00 0.00 N ATOM 528 CE2 TRP A 36 -6.390 15.662 0.183 1.00 0.00 C ATOM 529 CE3 TRP A 36 -4.857 16.869 1.607 1.00 0.00 C ATOM 530 CZ2 TRP A 36 -6.763 14.817 1.225 1.00 0.00 C ATOM 531 CZ3 TRP A 36 -5.229 16.030 2.640 1.00 0.00 C ATOM 532 CH2 TRP A 36 -6.174 15.014 2.444 1.00 0.00 C ATOM 0 H TRP A 36 -3.312 16.076 -1.886 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.451 18.907 -2.019 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.438 19.216 -0.396 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.795 19.031 -2.102 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -6.285 16.967 -2.815 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.494 15.069 -1.540 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.127 17.648 1.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -7.492 14.034 1.076 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.784 16.160 3.615 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -6.443 14.374 3.271 1.00 0.00 H new ATOM 543 N CYS A 37 -1.441 16.813 -0.100 1.00 0.00 N ATOM 544 CA CYS A 37 -0.696 16.484 1.110 1.00 0.00 C ATOM 545 C CYS A 37 0.806 16.517 0.850 1.00 0.00 C ATOM 546 O CYS A 37 1.271 16.112 -0.215 1.00 0.00 O ATOM 547 CB CYS A 37 -1.106 15.103 1.626 1.00 0.00 C ATOM 548 SG CYS A 37 -0.255 14.599 3.140 1.00 0.00 S ATOM 0 H CYS A 37 -1.295 16.166 -0.875 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.932 17.232 1.867 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.181 15.099 1.807 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.911 14.364 0.849 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.670 13.420 3.499 1.00 0.00 H new ATOM 554 N GLY A 38 1.561 17.005 1.829 1.00 0.00 N ATOM 555 CA GLY A 38 3.003 17.085 1.686 1.00 0.00 C ATOM 556 C GLY A 38 3.670 15.727 1.779 1.00 0.00 C ATOM 557 O GLY A 38 4.460 15.354 0.911 1.00 0.00 O ATOM 0 H GLY A 38 1.200 17.347 2.719 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.245 17.541 0.726 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.406 17.738 2.460 1.00 0.00 H new ATOM 561 N HIS A 39 3.355 14.985 2.836 1.00 0.00 N ATOM 562 CA HIS A 39 3.931 13.661 3.041 1.00 0.00 C ATOM 563 C HIS A 39 3.929 12.861 1.741 1.00 0.00 C ATOM 564 O HIS A 39 4.706 11.920 1.579 1.00 0.00 O ATOM 565 CB HIS A 39 3.155 12.905 4.120 1.00 0.00 C ATOM 566 CG HIS A 39 3.095 13.627 5.431 1.00 0.00 C ATOM 567 ND1 HIS A 39 1.991 13.596 6.257 1.00 0.00 N ATOM 568 CD2 HIS A 39 4.011 14.401 6.058 1.00 0.00 C ATOM 569 CE1 HIS A 39 2.230 14.321 7.335 1.00 0.00 C ATOM 570 NE2 HIS A 39 3.450 14.820 7.239 1.00 0.00 N ATOM 0 H HIS A 39 2.704 15.278 3.564 1.00 0.00 H new ATOM 0 HA HIS A 39 4.963 13.787 3.368 1.00 0.00 H new ATOM 0 HB2 HIS A 39 2.140 12.725 3.767 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.617 11.930 4.272 1.00 0.00 H new ATOM 0 HD2 HIS A 39 4.999 14.644 5.697 1.00 0.00 H new ATOM 0 HE1 HIS A 39 1.545 14.479 8.155 1.00 0.00 H new ATOM 0 HE2 HIS A 39 3.902 15.419 7.930 1.00 0.00 H new ATOM 579 N CYS A 40 3.051 13.241 0.820 1.00 0.00 N ATOM 580 CA CYS A 40 2.947 12.559 -0.465 1.00 0.00 C ATOM 581 C CYS A 40 4.077 12.980 -1.398 1.00 0.00 C ATOM 582 O CYS A 40 4.666 12.151 -2.092 1.00 0.00 O ATOM 583 CB CYS A 40 1.595 12.855 -1.115 1.00 0.00 C ATOM 584 SG CYS A 40 1.521 12.460 -2.878 1.00 0.00 S ATOM 0 H CYS A 40 2.401 14.018 0.939 1.00 0.00 H new ATOM 0 HA CYS A 40 3.029 11.487 -0.287 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.822 12.290 -0.594 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.363 13.911 -0.980 1.00 0.00 H new ATOM 0 HG CYS A 40 0.338 12.743 -3.337 1.00 0.00 H new ATOM 590 N LYS A 41 4.374 14.275 -1.411 1.00 0.00 N ATOM 591 CA LYS A 41 5.434 14.809 -2.259 1.00 0.00 C ATOM 592 C LYS A 41 6.798 14.291 -1.816 1.00 0.00 C ATOM 593 O LYS A 41 7.642 13.951 -2.645 1.00 0.00 O ATOM 594 CB LYS A 41 5.421 16.338 -2.224 1.00 0.00 C ATOM 595 CG LYS A 41 4.029 16.933 -2.104 1.00 0.00 C ATOM 596 CD LYS A 41 4.028 18.420 -2.417 1.00 0.00 C ATOM 597 CE LYS A 41 4.836 19.205 -1.396 1.00 0.00 C ATOM 598 NZ LYS A 41 4.885 20.657 -1.724 1.00 0.00 N ATOM 0 H LYS A 41 3.895 14.975 -0.844 1.00 0.00 H new ATOM 0 HA LYS A 41 5.252 14.474 -3.280 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.026 16.679 -1.384 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.892 16.718 -3.131 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.352 16.417 -2.785 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.650 16.773 -1.095 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.441 18.584 -3.413 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.002 18.789 -2.432 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.399 19.071 -0.406 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.850 18.808 -1.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.445 21.157 -1.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.325 20.787 -2.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.919 21.042 -1.740 1.00 0.00 H new ATOM 612 N GLN A 42 7.006 14.232 -0.504 1.00 0.00 N ATOM 613 CA GLN A 42 8.269 13.754 0.048 1.00 0.00 C ATOM 614 C GLN A 42 8.448 12.263 -0.216 1.00 0.00 C ATOM 615 O GLN A 42 9.573 11.764 -0.282 1.00 0.00 O ATOM 616 CB GLN A 42 8.328 14.029 1.551 1.00 0.00 C ATOM 617 CG GLN A 42 7.127 13.496 2.315 1.00 0.00 C ATOM 618 CD GLN A 42 7.374 12.123 2.907 1.00 0.00 C ATOM 619 OE1 GLN A 42 8.215 11.367 2.422 1.00 0.00 O ATOM 620 NE2 GLN A 42 6.639 11.792 3.963 1.00 0.00 N ATOM 0 H GLN A 42 6.317 14.509 0.196 1.00 0.00 H new ATOM 0 HA GLN A 42 9.079 14.291 -0.445 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.235 13.582 1.958 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.403 15.104 1.712 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.872 14.192 3.115 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.267 13.450 1.646 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.953 12.450 4.333 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.761 10.880 4.404 1.00 0.00 H new ATOM 629 N LEU A 43 7.334 11.555 -0.367 1.00 0.00 N ATOM 630 CA LEU A 43 7.369 10.119 -0.624 1.00 0.00 C ATOM 631 C LEU A 43 7.382 9.835 -2.122 1.00 0.00 C ATOM 632 O LEU A 43 7.867 8.792 -2.561 1.00 0.00 O ATOM 633 CB LEU A 43 6.164 9.436 0.026 1.00 0.00 C ATOM 634 CG LEU A 43 6.075 7.920 -0.153 1.00 0.00 C ATOM 635 CD1 LEU A 43 7.107 7.219 0.717 1.00 0.00 C ATOM 636 CD2 LEU A 43 4.674 7.426 0.176 1.00 0.00 C ATOM 0 H LEU A 43 6.396 11.951 -0.316 1.00 0.00 H new ATOM 0 HA LEU A 43 8.285 9.718 -0.189 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.179 9.655 1.094 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.256 9.884 -0.378 1.00 0.00 H new ATOM 0 HG LEU A 43 6.287 7.683 -1.196 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.029 6.141 0.577 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.106 7.550 0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.926 7.463 1.764 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.629 6.345 0.043 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.434 7.675 1.210 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.954 7.904 -0.489 1.00 0.00 H new ATOM 648 N GLU A 44 6.847 10.769 -2.902 1.00 0.00 N ATOM 649 CA GLU A 44 6.800 10.618 -4.352 1.00 0.00 C ATOM 650 C GLU A 44 8.005 9.830 -4.857 1.00 0.00 C ATOM 651 O GLU A 44 7.873 8.797 -5.513 1.00 0.00 O ATOM 652 CB GLU A 44 6.753 11.989 -5.029 1.00 0.00 C ATOM 653 CG GLU A 44 5.343 12.493 -5.287 1.00 0.00 C ATOM 654 CD GLU A 44 4.538 11.550 -6.160 1.00 0.00 C ATOM 655 OE1 GLU A 44 4.988 11.253 -7.286 1.00 0.00 O ATOM 656 OE2 GLU A 44 3.457 11.110 -5.716 1.00 0.00 O ATOM 0 H GLU A 44 6.440 11.638 -2.555 1.00 0.00 H new ATOM 0 HA GLU A 44 5.895 10.065 -4.604 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.279 12.711 -4.405 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.290 11.936 -5.976 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.830 12.629 -4.335 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.392 13.472 -5.765 1.00 0.00 H new ATOM 663 N PRO A 45 9.210 10.329 -4.544 1.00 0.00 N ATOM 664 CA PRO A 45 10.463 9.688 -4.956 1.00 0.00 C ATOM 665 C PRO A 45 10.709 8.373 -4.224 1.00 0.00 C ATOM 666 O PRO A 45 11.048 7.363 -4.842 1.00 0.00 O ATOM 667 CB PRO A 45 11.530 10.719 -4.577 1.00 0.00 C ATOM 668 CG PRO A 45 10.917 11.509 -3.472 1.00 0.00 C ATOM 669 CD PRO A 45 9.443 11.556 -3.765 1.00 0.00 C ATOM 0 HA PRO A 45 10.459 9.428 -6.014 1.00 0.00 H new ATOM 0 HB2 PRO A 45 12.451 10.235 -4.254 1.00 0.00 H new ATOM 0 HB3 PRO A 45 11.785 11.355 -5.425 1.00 0.00 H new ATOM 0 HG2 PRO A 45 11.108 11.042 -2.506 1.00 0.00 H new ATOM 0 HG3 PRO A 45 11.339 12.513 -3.430 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.852 11.569 -2.849 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.174 12.448 -4.331 1.00 0.00 H new ATOM 677 N ILE A 46 10.536 8.393 -2.907 1.00 0.00 N ATOM 678 CA ILE A 46 10.738 7.201 -2.093 1.00 0.00 C ATOM 679 C ILE A 46 9.968 6.012 -2.657 1.00 0.00 C ATOM 680 O ILE A 46 10.460 4.883 -2.657 1.00 0.00 O ATOM 681 CB ILE A 46 10.302 7.435 -0.634 1.00 0.00 C ATOM 682 CG1 ILE A 46 11.167 8.518 0.012 1.00 0.00 C ATOM 683 CG2 ILE A 46 10.387 6.139 0.158 1.00 0.00 C ATOM 684 CD1 ILE A 46 10.536 9.145 1.236 1.00 0.00 C ATOM 0 H ILE A 46 10.257 9.221 -2.381 1.00 0.00 H new ATOM 0 HA ILE A 46 11.806 6.982 -2.114 1.00 0.00 H new ATOM 0 HB ILE A 46 9.266 7.774 -0.629 1.00 0.00 H new ATOM 0 HG12 ILE A 46 12.128 8.086 0.290 1.00 0.00 H new ATOM 0 HG13 ILE A 46 11.368 9.297 -0.723 1.00 0.00 H new ATOM 0 HG21 ILE A 46 10.076 6.320 1.187 1.00 0.00 H new ATOM 0 HG22 ILE A 46 9.732 5.393 -0.293 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.414 5.773 0.149 1.00 0.00 H new ATOM 0 HD11 ILE A 46 11.205 9.904 1.642 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.588 9.607 0.960 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.360 8.377 1.989 1.00 0.00 H new ATOM 696 N TYR A 47 8.758 6.273 -3.140 1.00 0.00 N ATOM 697 CA TYR A 47 7.919 5.225 -3.708 1.00 0.00 C ATOM 698 C TYR A 47 8.373 4.869 -5.120 1.00 0.00 C ATOM 699 O TYR A 47 8.384 3.699 -5.506 1.00 0.00 O ATOM 700 CB TYR A 47 6.455 5.669 -3.728 1.00 0.00 C ATOM 701 CG TYR A 47 5.474 4.528 -3.586 1.00 0.00 C ATOM 702 CD1 TYR A 47 5.501 3.696 -2.474 1.00 0.00 C ATOM 703 CD2 TYR A 47 4.519 4.282 -4.565 1.00 0.00 C ATOM 704 CE1 TYR A 47 4.607 2.652 -2.341 1.00 0.00 C ATOM 705 CE2 TYR A 47 3.620 3.241 -4.440 1.00 0.00 C ATOM 706 CZ TYR A 47 3.668 2.428 -3.327 1.00 0.00 C ATOM 707 OH TYR A 47 2.774 1.390 -3.197 1.00 0.00 O ATOM 0 H TYR A 47 8.337 7.202 -3.149 1.00 0.00 H new ATOM 0 HA TYR A 47 8.015 4.339 -3.081 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.289 6.382 -2.920 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.256 6.194 -4.662 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.234 3.869 -1.700 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.479 4.916 -5.439 1.00 0.00 H new ATOM 0 HE1 TYR A 47 4.643 2.014 -1.470 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.883 3.065 -5.210 1.00 0.00 H new ATOM 0 HH TYR A 47 2.334 1.227 -4.058 1.00 0.00 H new ATOM 717 N THR A 48 8.749 5.886 -5.888 1.00 0.00 N ATOM 718 CA THR A 48 9.205 5.682 -7.258 1.00 0.00 C ATOM 719 C THR A 48 10.217 4.545 -7.337 1.00 0.00 C ATOM 720 O THR A 48 9.988 3.544 -8.015 1.00 0.00 O ATOM 721 CB THR A 48 9.840 6.962 -7.835 1.00 0.00 C ATOM 722 OG1 THR A 48 8.819 7.908 -8.169 1.00 0.00 O ATOM 723 CG2 THR A 48 10.668 6.644 -9.070 1.00 0.00 C ATOM 0 H THR A 48 8.747 6.860 -5.585 1.00 0.00 H new ATOM 0 HA THR A 48 8.326 5.423 -7.849 1.00 0.00 H new ATOM 0 HB THR A 48 10.496 7.390 -7.077 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.428 8.272 -7.347 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.107 7.562 -9.460 1.00 0.00 H new ATOM 0 HG22 THR A 48 11.462 5.946 -8.806 1.00 0.00 H new ATOM 0 HG23 THR A 48 10.029 6.195 -9.831 1.00 0.00 H new ATOM 731 N SER A 49 11.337 4.707 -6.640 1.00 0.00 N ATOM 732 CA SER A 49 12.386 3.694 -6.634 1.00 0.00 C ATOM 733 C SER A 49 11.868 2.378 -6.063 1.00 0.00 C ATOM 734 O SER A 49 12.144 1.303 -6.598 1.00 0.00 O ATOM 735 CB SER A 49 13.587 4.179 -5.820 1.00 0.00 C ATOM 736 OG SER A 49 14.267 5.227 -6.488 1.00 0.00 O ATOM 0 H SER A 49 11.541 5.530 -6.072 1.00 0.00 H new ATOM 0 HA SER A 49 12.699 3.524 -7.664 1.00 0.00 H new ATOM 0 HB2 SER A 49 13.252 4.524 -4.842 1.00 0.00 H new ATOM 0 HB3 SER A 49 14.272 3.349 -5.647 1.00 0.00 H new ATOM 0 HG SER A 49 15.029 5.520 -5.946 1.00 0.00 H new ATOM 742 N LEU A 50 11.115 2.469 -4.972 1.00 0.00 N ATOM 743 CA LEU A 50 10.557 1.286 -4.327 1.00 0.00 C ATOM 744 C LEU A 50 9.855 0.391 -5.343 1.00 0.00 C ATOM 745 O LEU A 50 9.752 -0.820 -5.152 1.00 0.00 O ATOM 746 CB LEU A 50 9.574 1.696 -3.228 1.00 0.00 C ATOM 747 CG LEU A 50 9.019 0.561 -2.367 1.00 0.00 C ATOM 748 CD1 LEU A 50 10.063 0.090 -1.366 1.00 0.00 C ATOM 749 CD2 LEU A 50 7.753 1.007 -1.649 1.00 0.00 C ATOM 0 H LEU A 50 10.877 3.350 -4.516 1.00 0.00 H new ATOM 0 HA LEU A 50 11.378 0.724 -3.882 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.070 2.413 -2.573 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.736 2.216 -3.693 1.00 0.00 H new ATOM 0 HG LEU A 50 8.768 -0.275 -3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.650 -0.718 -0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.943 -0.269 -1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.346 0.919 -0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.372 0.187 -1.041 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.979 1.859 -1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.000 1.295 -2.383 1.00 0.00 H new ATOM 761 N GLY A 51 9.376 0.996 -6.426 1.00 0.00 N ATOM 762 CA GLY A 51 8.693 0.238 -7.458 1.00 0.00 C ATOM 763 C GLY A 51 9.648 -0.324 -8.493 1.00 0.00 C ATOM 764 O GLY A 51 9.728 -1.539 -8.680 1.00 0.00 O ATOM 0 H GLY A 51 9.449 1.997 -6.607 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.139 -0.580 -6.997 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.963 0.879 -7.952 1.00 0.00 H new ATOM 768 N LYS A 52 10.373 0.560 -9.168 1.00 0.00 N ATOM 769 CA LYS A 52 11.327 0.147 -10.191 1.00 0.00 C ATOM 770 C LYS A 52 12.288 -0.905 -9.645 1.00 0.00 C ATOM 771 O LYS A 52 12.822 -1.722 -10.395 1.00 0.00 O ATOM 772 CB LYS A 52 12.115 1.356 -10.701 1.00 0.00 C ATOM 773 CG LYS A 52 13.253 1.771 -9.785 1.00 0.00 C ATOM 774 CD LYS A 52 13.830 3.117 -10.188 1.00 0.00 C ATOM 775 CE LYS A 52 15.223 3.323 -9.611 1.00 0.00 C ATOM 776 NZ LYS A 52 16.267 2.645 -10.428 1.00 0.00 N ATOM 0 H LYS A 52 10.319 1.569 -9.025 1.00 0.00 H new ATOM 0 HA LYS A 52 10.768 -0.290 -11.018 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.519 1.126 -11.687 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.433 2.198 -10.824 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.894 1.821 -8.757 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.038 1.015 -9.812 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.872 3.185 -11.275 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.171 3.914 -9.844 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.440 4.390 -9.557 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.254 2.940 -8.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.202 2.809 -10.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 16.075 1.623 -10.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 16.255 3.029 -11.395 1.00 0.00 H new ATOM 790 N LYS A 53 12.502 -0.881 -8.334 1.00 0.00 N ATOM 791 CA LYS A 53 13.396 -1.834 -7.686 1.00 0.00 C ATOM 792 C LYS A 53 12.680 -3.153 -7.415 1.00 0.00 C ATOM 793 O LYS A 53 13.235 -4.229 -7.637 1.00 0.00 O ATOM 794 CB LYS A 53 13.932 -1.253 -6.376 1.00 0.00 C ATOM 795 CG LYS A 53 12.978 -1.414 -5.205 1.00 0.00 C ATOM 796 CD LYS A 53 13.589 -0.896 -3.913 1.00 0.00 C ATOM 797 CE LYS A 53 13.962 0.575 -4.024 1.00 0.00 C ATOM 798 NZ LYS A 53 15.382 0.758 -4.435 1.00 0.00 N ATOM 0 H LYS A 53 12.068 -0.211 -7.699 1.00 0.00 H new ATOM 0 HA LYS A 53 14.232 -2.026 -8.359 1.00 0.00 H new ATOM 0 HB2 LYS A 53 14.878 -1.738 -6.133 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.144 -0.193 -6.518 1.00 0.00 H new ATOM 0 HG2 LYS A 53 12.052 -0.877 -5.412 1.00 0.00 H new ATOM 0 HG3 LYS A 53 12.717 -2.466 -5.089 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.882 -1.033 -3.095 1.00 0.00 H new ATOM 0 HD3 LYS A 53 14.476 -1.480 -3.669 1.00 0.00 H new ATOM 0 HE2 LYS A 53 13.309 1.062 -4.748 1.00 0.00 H new ATOM 0 HE3 LYS A 53 13.796 1.065 -3.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 15.470 1.625 -5.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 15.981 0.837 -3.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 15.688 -0.059 -5.001 1.00 0.00 H new ATOM 812 N TYR A 54 11.445 -3.062 -6.934 1.00 0.00 N ATOM 813 CA TYR A 54 10.653 -4.249 -6.631 1.00 0.00 C ATOM 814 C TYR A 54 10.007 -4.809 -7.894 1.00 0.00 C ATOM 815 O TYR A 54 9.377 -5.867 -7.867 1.00 0.00 O ATOM 816 CB TYR A 54 9.576 -3.919 -5.597 1.00 0.00 C ATOM 817 CG TYR A 54 10.033 -4.101 -4.167 1.00 0.00 C ATOM 818 CD1 TYR A 54 10.782 -3.123 -3.526 1.00 0.00 C ATOM 819 CD2 TYR A 54 9.714 -5.252 -3.457 1.00 0.00 C ATOM 820 CE1 TYR A 54 11.202 -3.286 -2.220 1.00 0.00 C ATOM 821 CE2 TYR A 54 10.128 -5.423 -2.150 1.00 0.00 C ATOM 822 CZ TYR A 54 10.873 -4.438 -1.536 1.00 0.00 C ATOM 823 OH TYR A 54 11.288 -4.603 -0.235 1.00 0.00 O ATOM 0 H TYR A 54 10.971 -2.179 -6.745 1.00 0.00 H new ATOM 0 HA TYR A 54 11.321 -5.006 -6.220 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.253 -2.888 -5.738 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.707 -4.552 -5.775 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.041 -2.219 -4.058 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.132 -6.026 -3.935 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.785 -2.516 -1.737 1.00 0.00 H new ATOM 0 HE2 TYR A 54 9.870 -6.323 -1.612 1.00 0.00 H new ATOM 0 HH TYR A 54 11.319 -5.559 -0.020 1.00 0.00 H new ATOM 833 N LYS A 55 10.169 -4.093 -9.001 1.00 0.00 N ATOM 834 CA LYS A 55 9.604 -4.517 -10.277 1.00 0.00 C ATOM 835 C LYS A 55 10.213 -5.841 -10.728 1.00 0.00 C ATOM 836 O LYS A 55 9.629 -6.560 -11.538 1.00 0.00 O ATOM 837 CB LYS A 55 9.838 -3.445 -11.343 1.00 0.00 C ATOM 838 CG LYS A 55 8.734 -2.405 -11.413 1.00 0.00 C ATOM 839 CD LYS A 55 8.578 -1.851 -12.820 1.00 0.00 C ATOM 840 CE LYS A 55 7.513 -0.766 -12.877 1.00 0.00 C ATOM 841 NZ LYS A 55 7.297 -0.273 -14.265 1.00 0.00 N ATOM 0 H LYS A 55 10.687 -3.215 -9.041 1.00 0.00 H new ATOM 0 HA LYS A 55 8.532 -4.658 -10.143 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.785 -2.944 -11.141 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.934 -3.927 -12.316 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.793 -2.850 -11.090 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.955 -1.591 -10.723 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.531 -1.445 -13.160 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.313 -2.658 -13.503 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.576 -1.156 -12.480 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.808 0.066 -12.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.564 0.465 -14.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.185 0.123 -14.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.991 -1.062 -14.870 1.00 0.00 H new ATOM 855 N GLY A 56 11.390 -6.157 -10.198 1.00 0.00 N ATOM 856 CA GLY A 56 12.058 -7.394 -10.557 1.00 0.00 C ATOM 857 C GLY A 56 11.585 -8.571 -9.727 1.00 0.00 C ATOM 858 O GLY A 56 11.987 -9.709 -9.967 1.00 0.00 O ATOM 0 H GLY A 56 11.893 -5.578 -9.526 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.884 -7.604 -11.612 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.134 -7.273 -10.430 1.00 0.00 H new ATOM 862 N GLN A 57 10.730 -8.296 -8.747 1.00 0.00 N ATOM 863 CA GLN A 57 10.204 -9.341 -7.877 1.00 0.00 C ATOM 864 C GLN A 57 9.275 -10.274 -8.648 1.00 0.00 C ATOM 865 O GLN A 57 8.938 -10.017 -9.804 1.00 0.00 O ATOM 866 CB GLN A 57 9.458 -8.722 -6.694 1.00 0.00 C ATOM 867 CG GLN A 57 10.368 -8.315 -5.547 1.00 0.00 C ATOM 868 CD GLN A 57 10.775 -9.490 -4.680 1.00 0.00 C ATOM 869 OE1 GLN A 57 11.767 -10.165 -4.955 1.00 0.00 O ATOM 870 NE2 GLN A 57 10.009 -9.740 -3.624 1.00 0.00 N ATOM 0 H GLN A 57 10.387 -7.359 -8.536 1.00 0.00 H new ATOM 0 HA GLN A 57 11.045 -9.924 -7.501 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.909 -7.846 -7.040 1.00 0.00 H new ATOM 0 HB3 GLN A 57 8.721 -9.436 -6.326 1.00 0.00 H new ATOM 0 HG2 GLN A 57 11.262 -7.838 -5.949 1.00 0.00 H new ATOM 0 HG3 GLN A 57 9.860 -7.573 -4.931 1.00 0.00 H new ATOM 0 HE21 GLN A 57 9.196 -9.154 -3.434 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.234 -10.518 -3.003 1.00 0.00 H new ATOM 879 N LYS A 58 8.864 -11.359 -8.000 1.00 0.00 N ATOM 880 CA LYS A 58 7.973 -12.331 -8.623 1.00 0.00 C ATOM 881 C LYS A 58 6.517 -12.035 -8.276 1.00 0.00 C ATOM 882 O LYS A 58 6.136 -12.038 -7.105 1.00 0.00 O ATOM 883 CB LYS A 58 8.338 -13.748 -8.175 1.00 0.00 C ATOM 884 CG LYS A 58 9.710 -14.200 -8.643 1.00 0.00 C ATOM 885 CD LYS A 58 9.661 -14.756 -10.056 1.00 0.00 C ATOM 886 CE LYS A 58 9.107 -16.172 -10.080 1.00 0.00 C ATOM 887 NZ LYS A 58 9.474 -16.891 -11.331 1.00 0.00 N ATOM 0 H LYS A 58 9.134 -11.587 -7.043 1.00 0.00 H new ATOM 0 HA LYS A 58 8.093 -12.256 -9.704 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.300 -13.797 -7.087 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.588 -14.443 -8.551 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.403 -13.360 -8.605 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.094 -14.961 -7.964 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.042 -14.112 -10.680 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.663 -14.749 -10.486 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.485 -16.724 -9.220 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.022 -16.139 -9.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.077 -17.852 -11.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.092 -16.378 -12.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.510 -16.946 -11.409 1.00 0.00 H new ATOM 901 N ASP A 59 5.710 -11.782 -9.299 1.00 0.00 N ATOM 902 CA ASP A 59 4.295 -11.487 -9.102 1.00 0.00 C ATOM 903 C ASP A 59 4.110 -10.377 -8.072 1.00 0.00 C ATOM 904 O ASP A 59 3.382 -10.541 -7.092 1.00 0.00 O ATOM 905 CB ASP A 59 3.547 -12.744 -8.656 1.00 0.00 C ATOM 906 CG ASP A 59 4.233 -14.018 -9.111 1.00 0.00 C ATOM 907 OD1 ASP A 59 4.610 -14.096 -10.299 1.00 0.00 O ATOM 908 OD2 ASP A 59 4.392 -14.935 -8.280 1.00 0.00 O ATOM 0 H ASP A 59 6.011 -11.775 -10.274 1.00 0.00 H new ATOM 0 HA ASP A 59 3.884 -11.148 -10.053 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.464 -12.748 -7.569 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.532 -12.719 -9.053 1.00 0.00 H new ATOM 913 N LEU A 60 4.773 -9.249 -8.300 1.00 0.00 N ATOM 914 CA LEU A 60 4.683 -8.112 -7.391 1.00 0.00 C ATOM 915 C LEU A 60 4.791 -6.795 -8.153 1.00 0.00 C ATOM 916 O LEU A 60 5.824 -6.497 -8.754 1.00 0.00 O ATOM 917 CB LEU A 60 5.782 -8.192 -6.330 1.00 0.00 C ATOM 918 CG LEU A 60 5.604 -7.290 -5.109 1.00 0.00 C ATOM 919 CD1 LEU A 60 4.749 -7.978 -4.057 1.00 0.00 C ATOM 920 CD2 LEU A 60 6.957 -6.903 -4.529 1.00 0.00 C ATOM 0 H LEU A 60 5.379 -9.097 -9.106 1.00 0.00 H new ATOM 0 HA LEU A 60 3.710 -8.148 -6.900 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.853 -9.224 -5.987 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.733 -7.947 -6.802 1.00 0.00 H new ATOM 0 HG LEU A 60 5.093 -6.381 -5.425 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.633 -7.321 -3.195 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.768 -8.203 -4.476 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.232 -8.904 -3.745 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.810 -6.261 -3.661 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.495 -7.802 -4.229 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.536 -6.368 -5.282 1.00 0.00 H new ATOM 932 N VAL A 61 3.719 -6.010 -8.123 1.00 0.00 N ATOM 933 CA VAL A 61 3.695 -4.723 -8.809 1.00 0.00 C ATOM 934 C VAL A 61 3.249 -3.608 -7.870 1.00 0.00 C ATOM 935 O VAL A 61 2.097 -3.572 -7.436 1.00 0.00 O ATOM 936 CB VAL A 61 2.758 -4.756 -10.031 1.00 0.00 C ATOM 937 CG1 VAL A 61 2.820 -3.437 -10.787 1.00 0.00 C ATOM 938 CG2 VAL A 61 3.113 -5.920 -10.943 1.00 0.00 C ATOM 0 H VAL A 61 2.856 -6.242 -7.631 1.00 0.00 H new ATOM 0 HA VAL A 61 4.712 -4.525 -9.146 1.00 0.00 H new ATOM 0 HB VAL A 61 1.736 -4.898 -9.680 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.152 -3.479 -11.647 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.513 -2.625 -10.128 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.840 -3.261 -11.128 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.441 -5.928 -11.801 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.141 -5.811 -11.288 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.012 -6.856 -10.394 1.00 0.00 H new ATOM 948 N ILE A 62 4.168 -2.700 -7.560 1.00 0.00 N ATOM 949 CA ILE A 62 3.868 -1.582 -6.673 1.00 0.00 C ATOM 950 C ILE A 62 3.132 -0.473 -7.416 1.00 0.00 C ATOM 951 O ILE A 62 3.734 0.284 -8.178 1.00 0.00 O ATOM 952 CB ILE A 62 5.149 -1.002 -6.046 1.00 0.00 C ATOM 953 CG1 ILE A 62 5.707 -1.962 -4.993 1.00 0.00 C ATOM 954 CG2 ILE A 62 4.868 0.361 -5.432 1.00 0.00 C ATOM 955 CD1 ILE A 62 6.935 -1.433 -4.284 1.00 0.00 C ATOM 0 H ILE A 62 5.126 -2.716 -7.909 1.00 0.00 H new ATOM 0 HA ILE A 62 3.229 -1.971 -5.880 1.00 0.00 H new ATOM 0 HB ILE A 62 5.896 -0.878 -6.830 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.932 -2.169 -4.255 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.953 -2.910 -5.471 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.783 0.758 -4.993 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.512 1.042 -6.205 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.108 0.261 -4.658 1.00 0.00 H new ATOM 0 HD11 ILE A 62 7.276 -2.165 -3.552 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.726 -1.252 -5.012 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.689 -0.500 -3.777 1.00 0.00 H new ATOM 967 N ALA A 63 1.826 -0.381 -7.188 1.00 0.00 N ATOM 968 CA ALA A 63 1.007 0.638 -7.833 1.00 0.00 C ATOM 969 C ALA A 63 0.429 1.608 -6.807 1.00 0.00 C ATOM 970 O ALA A 63 0.425 1.330 -5.608 1.00 0.00 O ATOM 971 CB ALA A 63 -0.110 -0.011 -8.636 1.00 0.00 C ATOM 0 H ALA A 63 1.312 -1.000 -6.561 1.00 0.00 H new ATOM 0 HA ALA A 63 1.645 1.204 -8.512 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.713 0.763 -9.112 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.320 -0.658 -9.401 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.739 -0.604 -7.972 1.00 0.00 H new ATOM 977 N LYS A 64 -0.057 2.748 -7.286 1.00 0.00 N ATOM 978 CA LYS A 64 -0.639 3.759 -6.412 1.00 0.00 C ATOM 979 C LYS A 64 -1.972 4.254 -6.964 1.00 0.00 C ATOM 980 O LYS A 64 -2.203 4.226 -8.172 1.00 0.00 O ATOM 981 CB LYS A 64 0.326 4.936 -6.247 1.00 0.00 C ATOM 982 CG LYS A 64 0.586 5.694 -7.538 1.00 0.00 C ATOM 983 CD LYS A 64 1.494 6.890 -7.308 1.00 0.00 C ATOM 984 CE LYS A 64 2.060 7.420 -8.617 1.00 0.00 C ATOM 985 NZ LYS A 64 1.166 8.438 -9.236 1.00 0.00 N ATOM 0 H LYS A 64 -0.059 2.995 -8.276 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.817 3.303 -5.438 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.078 5.625 -5.506 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.274 4.566 -5.855 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.041 5.025 -8.268 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.361 6.030 -7.961 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.936 7.680 -6.805 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.312 6.605 -6.646 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.041 7.860 -8.437 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.204 6.593 -9.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.826 8.089 -10.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.354 8.613 -8.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.693 9.324 -9.376 1.00 0.00 H new ATOM 999 N MET A 65 -2.845 4.709 -6.071 1.00 0.00 N ATOM 1000 CA MET A 65 -4.154 5.213 -6.470 1.00 0.00 C ATOM 1001 C MET A 65 -4.542 6.434 -5.642 1.00 0.00 C ATOM 1002 O MET A 65 -4.066 6.612 -4.520 1.00 0.00 O ATOM 1003 CB MET A 65 -5.213 4.120 -6.317 1.00 0.00 C ATOM 1004 CG MET A 65 -6.617 4.580 -6.676 1.00 0.00 C ATOM 1005 SD MET A 65 -7.515 5.240 -5.259 1.00 0.00 S ATOM 1006 CE MET A 65 -8.968 4.193 -5.261 1.00 0.00 C ATOM 0 H MET A 65 -2.670 4.739 -5.067 1.00 0.00 H new ATOM 0 HA MET A 65 -4.098 5.510 -7.517 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.944 3.274 -6.949 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.209 3.763 -5.287 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.558 5.344 -7.451 1.00 0.00 H new ATOM 0 HG3 MET A 65 -7.174 3.742 -7.096 1.00 0.00 H new ATOM 0 HE1 MET A 65 -9.749 4.653 -4.655 1.00 0.00 H new ATOM 0 HE2 MET A 65 -9.327 4.071 -6.283 1.00 0.00 H new ATOM 0 HE3 MET A 65 -8.714 3.217 -4.847 1.00 0.00 H new ATOM 1016 N ASP A 66 -5.408 7.271 -6.201 1.00 0.00 N ATOM 1017 CA ASP A 66 -5.861 8.475 -5.513 1.00 0.00 C ATOM 1018 C ASP A 66 -7.221 8.248 -4.859 1.00 0.00 C ATOM 1019 O ASP A 66 -8.249 8.222 -5.535 1.00 0.00 O ATOM 1020 CB ASP A 66 -5.941 9.648 -6.492 1.00 0.00 C ATOM 1021 CG ASP A 66 -4.697 9.773 -7.348 1.00 0.00 C ATOM 1022 OD1 ASP A 66 -4.213 8.735 -7.846 1.00 0.00 O ATOM 1023 OD2 ASP A 66 -4.206 10.909 -7.520 1.00 0.00 O ATOM 0 H ASP A 66 -5.811 7.139 -7.129 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.138 8.712 -4.733 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.811 9.521 -7.137 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.090 10.573 -5.935 1.00 0.00 H new ATOM 1028 N ALA A 67 -7.217 8.084 -3.540 1.00 0.00 N ATOM 1029 CA ALA A 67 -8.450 7.861 -2.795 1.00 0.00 C ATOM 1030 C ALA A 67 -9.242 9.155 -2.644 1.00 0.00 C ATOM 1031 O ALA A 67 -10.440 9.132 -2.358 1.00 0.00 O ATOM 1032 CB ALA A 67 -8.140 7.267 -1.429 1.00 0.00 C ATOM 0 H ALA A 67 -6.374 8.101 -2.966 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.062 7.155 -3.356 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.069 7.105 -0.883 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.623 6.316 -1.555 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.505 7.954 -0.869 1.00 0.00 H new ATOM 1038 N THR A 68 -8.567 10.283 -2.838 1.00 0.00 N ATOM 1039 CA THR A 68 -9.208 11.587 -2.722 1.00 0.00 C ATOM 1040 C THR A 68 -10.144 11.846 -3.897 1.00 0.00 C ATOM 1041 O THR A 68 -10.995 12.733 -3.840 1.00 0.00 O ATOM 1042 CB THR A 68 -8.167 12.720 -2.651 1.00 0.00 C ATOM 1043 OG1 THR A 68 -7.419 12.777 -3.871 1.00 0.00 O ATOM 1044 CG2 THR A 68 -7.219 12.512 -1.479 1.00 0.00 C ATOM 0 H THR A 68 -7.576 10.320 -3.076 1.00 0.00 H new ATOM 0 HA THR A 68 -9.785 11.574 -1.797 1.00 0.00 H new ATOM 0 HB THR A 68 -8.698 13.661 -2.507 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.136 13.700 -4.038 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.493 13.325 -1.450 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.787 12.499 -0.549 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.696 11.563 -1.598 1.00 0.00 H new ATOM 1052 N ALA A 69 -9.982 11.066 -4.960 1.00 0.00 N ATOM 1053 CA ALA A 69 -10.815 11.209 -6.148 1.00 0.00 C ATOM 1054 C ALA A 69 -11.575 9.921 -6.444 1.00 0.00 C ATOM 1055 O ALA A 69 -12.763 9.950 -6.764 1.00 0.00 O ATOM 1056 CB ALA A 69 -9.964 11.609 -7.344 1.00 0.00 C ATOM 0 H ALA A 69 -9.281 10.328 -5.023 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.546 11.995 -5.957 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.599 11.712 -8.224 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.471 12.559 -7.138 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.211 10.842 -7.528 1.00 0.00 H new ATOM 1062 N ASN A 70 -10.882 8.792 -6.336 1.00 0.00 N ATOM 1063 CA ASN A 70 -11.492 7.493 -6.594 1.00 0.00 C ATOM 1064 C ASN A 70 -12.030 6.879 -5.305 1.00 0.00 C ATOM 1065 O ASN A 70 -11.288 6.679 -4.344 1.00 0.00 O ATOM 1066 CB ASN A 70 -10.475 6.547 -7.236 1.00 0.00 C ATOM 1067 CG ASN A 70 -10.103 6.968 -8.645 1.00 0.00 C ATOM 1068 OD1 ASN A 70 -10.924 6.907 -9.560 1.00 0.00 O ATOM 1069 ND2 ASN A 70 -8.860 7.398 -8.825 1.00 0.00 N ATOM 0 H ASN A 70 -9.898 8.751 -6.072 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.325 7.641 -7.281 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.576 6.513 -6.621 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.885 5.537 -7.258 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.552 7.695 -9.751 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.213 7.432 -8.037 1.00 0.00 H new ATOM 1076 N ASP A 71 -13.325 6.583 -5.293 1.00 0.00 N ATOM 1077 CA ASP A 71 -13.963 5.990 -4.124 1.00 0.00 C ATOM 1078 C ASP A 71 -13.656 4.499 -4.034 1.00 0.00 C ATOM 1079 O ASP A 71 -14.085 3.715 -4.882 1.00 0.00 O ATOM 1080 CB ASP A 71 -15.476 6.210 -4.175 1.00 0.00 C ATOM 1081 CG ASP A 71 -15.866 7.635 -3.833 1.00 0.00 C ATOM 1082 OD1 ASP A 71 -15.206 8.568 -4.337 1.00 0.00 O ATOM 1083 OD2 ASP A 71 -16.832 7.817 -3.063 1.00 0.00 O ATOM 0 H ASP A 71 -13.954 6.744 -6.080 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.562 6.479 -3.236 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.842 5.966 -5.172 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -15.963 5.526 -3.480 1.00 0.00 H new ATOM 1088 N ILE A 72 -12.912 4.114 -3.003 1.00 0.00 N ATOM 1089 CA ILE A 72 -12.548 2.717 -2.804 1.00 0.00 C ATOM 1090 C ILE A 72 -13.788 1.842 -2.654 1.00 0.00 C ATOM 1091 O ILE A 72 -14.277 1.622 -1.546 1.00 0.00 O ATOM 1092 CB ILE A 72 -11.655 2.539 -1.562 1.00 0.00 C ATOM 1093 CG1 ILE A 72 -10.358 3.335 -1.720 1.00 0.00 C ATOM 1094 CG2 ILE A 72 -11.354 1.065 -1.333 1.00 0.00 C ATOM 1095 CD1 ILE A 72 -9.671 3.639 -0.408 1.00 0.00 C ATOM 0 H ILE A 72 -12.550 4.750 -2.293 1.00 0.00 H new ATOM 0 HA ILE A 72 -11.992 2.407 -3.689 1.00 0.00 H new ATOM 0 HB ILE A 72 -12.189 2.920 -0.692 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.674 2.776 -2.358 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -10.577 4.272 -2.232 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -10.722 0.955 -0.452 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -12.287 0.523 -1.180 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -10.837 0.660 -2.203 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -8.759 4.205 -0.597 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.338 4.225 0.224 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -9.420 2.706 0.096 1.00 0.00 H new ATOM 1107 N THR A 73 -14.292 1.342 -3.779 1.00 0.00 N ATOM 1108 CA THR A 73 -15.475 0.490 -3.774 1.00 0.00 C ATOM 1109 C THR A 73 -15.423 -0.516 -2.629 1.00 0.00 C ATOM 1110 O THR A 73 -16.452 -0.873 -2.057 1.00 0.00 O ATOM 1111 CB THR A 73 -15.624 -0.271 -5.104 1.00 0.00 C ATOM 1112 OG1 THR A 73 -14.502 -1.138 -5.302 1.00 0.00 O ATOM 1113 CG2 THR A 73 -15.735 0.697 -6.272 1.00 0.00 C ATOM 0 H THR A 73 -13.899 1.513 -4.705 1.00 0.00 H new ATOM 0 HA THR A 73 -16.336 1.145 -3.640 1.00 0.00 H new ATOM 0 HB THR A 73 -16.537 -0.865 -5.056 1.00 0.00 H new ATOM 0 HG1 THR A 73 -14.543 -1.526 -6.201 1.00 0.00 H new ATOM 0 HG21 THR A 73 -15.839 0.136 -7.201 1.00 0.00 H new ATOM 0 HG22 THR A 73 -16.607 1.336 -6.134 1.00 0.00 H new ATOM 0 HG23 THR A 73 -14.838 1.314 -6.320 1.00 0.00 H new ATOM 1121 N ASN A 74 -14.217 -0.968 -2.299 1.00 0.00 N ATOM 1122 CA ASN A 74 -14.032 -1.933 -1.222 1.00 0.00 C ATOM 1123 C ASN A 74 -14.500 -1.358 0.111 1.00 0.00 C ATOM 1124 O ASN A 74 -14.964 -0.219 0.178 1.00 0.00 O ATOM 1125 CB ASN A 74 -12.561 -2.343 -1.124 1.00 0.00 C ATOM 1126 CG ASN A 74 -12.391 -3.799 -0.733 1.00 0.00 C ATOM 1127 OD1 ASN A 74 -12.966 -4.259 0.253 1.00 0.00 O ATOM 1128 ND2 ASN A 74 -11.597 -4.530 -1.507 1.00 0.00 N ATOM 0 H ASN A 74 -13.354 -0.681 -2.762 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.634 -2.813 -1.449 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -12.073 -2.168 -2.083 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.059 -1.712 -0.391 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -11.443 -5.516 -1.294 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -11.141 -4.106 -2.315 1.00 0.00 H new ATOM 1135 N ASP A 75 -14.375 -2.152 1.169 1.00 0.00 N ATOM 1136 CA ASP A 75 -14.785 -1.721 2.501 1.00 0.00 C ATOM 1137 C ASP A 75 -13.654 -1.916 3.506 1.00 0.00 C ATOM 1138 O ASP A 75 -13.484 -1.115 4.425 1.00 0.00 O ATOM 1139 CB ASP A 75 -16.024 -2.496 2.952 1.00 0.00 C ATOM 1140 CG ASP A 75 -17.283 -2.037 2.244 1.00 0.00 C ATOM 1141 OD1 ASP A 75 -17.476 -0.810 2.112 1.00 0.00 O ATOM 1142 OD2 ASP A 75 -18.077 -2.904 1.822 1.00 0.00 O ATOM 0 H ASP A 75 -13.993 -3.097 1.130 1.00 0.00 H new ATOM 0 HA ASP A 75 -15.027 -0.659 2.455 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -15.872 -3.559 2.765 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -16.152 -2.377 4.028 1.00 0.00 H new ATOM 1147 N GLN A 76 -12.885 -2.984 3.324 1.00 0.00 N ATOM 1148 CA GLN A 76 -11.771 -3.284 4.217 1.00 0.00 C ATOM 1149 C GLN A 76 -10.695 -2.208 4.125 1.00 0.00 C ATOM 1150 O GLN A 76 -9.954 -1.973 5.080 1.00 0.00 O ATOM 1151 CB GLN A 76 -11.173 -4.651 3.879 1.00 0.00 C ATOM 1152 CG GLN A 76 -10.790 -4.802 2.415 1.00 0.00 C ATOM 1153 CD GLN A 76 -10.930 -6.228 1.920 1.00 0.00 C ATOM 1154 OE1 GLN A 76 -10.024 -6.768 1.285 1.00 0.00 O ATOM 1155 NE2 GLN A 76 -12.069 -6.845 2.208 1.00 0.00 N ATOM 0 H GLN A 76 -13.012 -3.656 2.567 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.152 -3.304 5.238 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -10.289 -4.814 4.496 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -11.892 -5.428 4.140 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -11.418 -4.148 1.810 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.760 -4.473 2.277 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -12.793 -6.359 2.737 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -12.221 -7.806 1.900 1.00 0.00 H new ATOM 1164 N TYR A 77 -10.613 -1.557 2.970 1.00 0.00 N ATOM 1165 CA TYR A 77 -9.625 -0.507 2.753 1.00 0.00 C ATOM 1166 C TYR A 77 -10.183 0.857 3.147 1.00 0.00 C ATOM 1167 O TYR A 77 -11.049 1.408 2.467 1.00 0.00 O ATOM 1168 CB TYR A 77 -9.186 -0.486 1.287 1.00 0.00 C ATOM 1169 CG TYR A 77 -8.470 -1.744 0.852 1.00 0.00 C ATOM 1170 CD1 TYR A 77 -9.167 -2.928 0.644 1.00 0.00 C ATOM 1171 CD2 TYR A 77 -7.096 -1.749 0.647 1.00 0.00 C ATOM 1172 CE1 TYR A 77 -8.517 -4.080 0.247 1.00 0.00 C ATOM 1173 CE2 TYR A 77 -6.437 -2.896 0.248 1.00 0.00 C ATOM 1174 CZ TYR A 77 -7.152 -4.059 0.050 1.00 0.00 C ATOM 1175 OH TYR A 77 -6.500 -5.204 -0.347 1.00 0.00 O ATOM 0 H TYR A 77 -11.219 -1.738 2.170 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.761 -0.721 3.382 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -10.063 -0.340 0.656 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.531 0.370 1.125 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -10.236 -2.948 0.796 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.533 -0.840 0.802 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.074 -4.992 0.092 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.368 -2.882 0.092 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.645 -5.275 0.127 1.00 0.00 H new ATOM 1185 N LYS A 78 -9.681 1.397 4.253 1.00 0.00 N ATOM 1186 CA LYS A 78 -10.126 2.697 4.740 1.00 0.00 C ATOM 1187 C LYS A 78 -8.959 3.677 4.818 1.00 0.00 C ATOM 1188 O LYS A 78 -7.867 3.324 5.262 1.00 0.00 O ATOM 1189 CB LYS A 78 -10.777 2.553 6.117 1.00 0.00 C ATOM 1190 CG LYS A 78 -12.264 2.248 6.058 1.00 0.00 C ATOM 1191 CD LYS A 78 -12.964 2.633 7.350 1.00 0.00 C ATOM 1192 CE LYS A 78 -13.347 4.105 7.360 1.00 0.00 C ATOM 1193 NZ LYS A 78 -14.454 4.396 6.408 1.00 0.00 N ATOM 0 H LYS A 78 -8.965 0.954 4.829 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.861 3.089 4.037 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.273 1.758 6.666 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.626 3.474 6.679 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.714 2.787 5.225 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -12.411 1.185 5.866 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -13.858 2.023 7.476 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -12.311 2.420 8.196 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -13.648 4.395 8.367 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.477 4.708 7.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -14.900 5.301 6.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -14.074 4.455 5.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -15.162 3.635 6.456 1.00 0.00 H new ATOM 1207 N VAL A 79 -9.199 4.911 4.384 1.00 0.00 N ATOM 1208 CA VAL A 79 -8.169 5.943 4.407 1.00 0.00 C ATOM 1209 C VAL A 79 -8.382 6.905 5.571 1.00 0.00 C ATOM 1210 O VAL A 79 -9.313 7.709 5.561 1.00 0.00 O ATOM 1211 CB VAL A 79 -8.146 6.742 3.091 1.00 0.00 C ATOM 1212 CG1 VAL A 79 -7.069 7.816 3.137 1.00 0.00 C ATOM 1213 CG2 VAL A 79 -7.934 5.812 1.907 1.00 0.00 C ATOM 0 H VAL A 79 -10.097 5.220 4.012 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.213 5.434 4.530 1.00 0.00 H new ATOM 0 HB VAL A 79 -9.111 7.234 2.968 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.068 8.370 2.199 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.272 8.499 3.962 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.095 7.349 3.284 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.920 6.394 0.985 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.984 5.289 2.020 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -8.745 5.085 1.865 1.00 0.00 H new ATOM 1223 N GLU A 80 -7.511 6.817 6.571 1.00 0.00 N ATOM 1224 CA GLU A 80 -7.604 7.681 7.742 1.00 0.00 C ATOM 1225 C GLU A 80 -6.395 8.608 7.832 1.00 0.00 C ATOM 1226 O GLU A 80 -6.090 9.147 8.895 1.00 0.00 O ATOM 1227 CB GLU A 80 -7.712 6.840 9.016 1.00 0.00 C ATOM 1228 CG GLU A 80 -8.887 5.877 9.012 1.00 0.00 C ATOM 1229 CD GLU A 80 -9.402 5.580 10.407 1.00 0.00 C ATOM 1230 OE1 GLU A 80 -9.753 6.538 11.128 1.00 0.00 O ATOM 1231 OE2 GLU A 80 -9.455 4.389 10.778 1.00 0.00 O ATOM 0 H GLU A 80 -6.734 6.157 6.594 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.501 8.292 7.641 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.790 6.274 9.147 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.802 7.506 9.874 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.694 6.297 8.412 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.587 4.945 8.533 1.00 0.00 H new ATOM 1238 N GLY A 81 -5.709 8.787 6.707 1.00 0.00 N ATOM 1239 CA GLY A 81 -4.541 9.648 6.680 1.00 0.00 C ATOM 1240 C GLY A 81 -3.513 9.198 5.661 1.00 0.00 C ATOM 1241 O GLY A 81 -3.089 8.042 5.664 1.00 0.00 O ATOM 0 H GLY A 81 -5.941 8.351 5.814 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.851 10.668 6.453 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.084 9.666 7.669 1.00 0.00 H new ATOM 1245 N PHE A 82 -3.112 10.113 4.785 1.00 0.00 N ATOM 1246 CA PHE A 82 -2.129 9.804 3.753 1.00 0.00 C ATOM 1247 C PHE A 82 -0.733 10.249 4.180 1.00 0.00 C ATOM 1248 O PHE A 82 -0.565 11.180 4.968 1.00 0.00 O ATOM 1249 CB PHE A 82 -2.511 10.481 2.435 1.00 0.00 C ATOM 1250 CG PHE A 82 -3.995 10.583 2.222 1.00 0.00 C ATOM 1251 CD1 PHE A 82 -4.739 11.542 2.890 1.00 0.00 C ATOM 1252 CD2 PHE A 82 -4.645 9.720 1.355 1.00 0.00 C ATOM 1253 CE1 PHE A 82 -6.104 11.640 2.696 1.00 0.00 C ATOM 1254 CE2 PHE A 82 -6.010 9.813 1.158 1.00 0.00 C ATOM 1255 CZ PHE A 82 -6.740 10.773 1.830 1.00 0.00 C ATOM 0 H PHE A 82 -3.452 11.074 4.769 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.119 8.724 3.609 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.079 11.481 2.411 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.071 9.924 1.608 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.247 12.221 3.570 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.079 8.966 0.827 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.672 12.394 3.221 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -6.505 9.135 0.479 1.00 0.00 H new ATOM 0 HZ PHE A 82 -7.807 10.846 1.678 1.00 0.00 H new ATOM 1265 N PRO A 83 0.293 9.569 3.647 1.00 0.00 N ATOM 1266 CA PRO A 83 0.105 8.460 2.708 1.00 0.00 C ATOM 1267 C PRO A 83 -0.491 7.227 3.379 1.00 0.00 C ATOM 1268 O PRO A 83 -0.382 7.054 4.594 1.00 0.00 O ATOM 1269 CB PRO A 83 1.525 8.167 2.217 1.00 0.00 C ATOM 1270 CG PRO A 83 2.412 8.645 3.314 1.00 0.00 C ATOM 1271 CD PRO A 83 1.716 9.831 3.922 1.00 0.00 C ATOM 0 HA PRO A 83 -0.593 8.715 1.910 1.00 0.00 H new ATOM 0 HB2 PRO A 83 1.667 7.103 2.029 1.00 0.00 H new ATOM 0 HB3 PRO A 83 1.736 8.687 1.283 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.571 7.863 4.056 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.393 8.923 2.929 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.911 9.907 4.992 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.047 10.766 3.471 1.00 0.00 H new ATOM 1279 N THR A 84 -1.122 6.371 2.581 1.00 0.00 N ATOM 1280 CA THR A 84 -1.736 5.155 3.098 1.00 0.00 C ATOM 1281 C THR A 84 -1.398 3.954 2.222 1.00 0.00 C ATOM 1282 O THR A 84 -2.007 3.749 1.171 1.00 0.00 O ATOM 1283 CB THR A 84 -3.267 5.294 3.190 1.00 0.00 C ATOM 1284 OG1 THR A 84 -3.610 6.544 3.799 1.00 0.00 O ATOM 1285 CG2 THR A 84 -3.867 4.151 3.995 1.00 0.00 C ATOM 0 H THR A 84 -1.221 6.498 1.574 1.00 0.00 H new ATOM 0 HA THR A 84 -1.332 4.997 4.098 1.00 0.00 H new ATOM 0 HB THR A 84 -3.674 5.259 2.179 1.00 0.00 H new ATOM 0 HG1 THR A 84 -3.186 6.606 4.681 1.00 0.00 H new ATOM 0 HG21 THR A 84 -4.949 4.271 4.046 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.629 3.203 3.513 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.453 4.159 5.003 1.00 0.00 H new ATOM 1293 N ILE A 85 -0.426 3.162 2.662 1.00 0.00 N ATOM 1294 CA ILE A 85 -0.010 1.979 1.918 1.00 0.00 C ATOM 1295 C ILE A 85 -0.812 0.753 2.340 1.00 0.00 C ATOM 1296 O ILE A 85 -1.108 0.568 3.521 1.00 0.00 O ATOM 1297 CB ILE A 85 1.490 1.690 2.115 1.00 0.00 C ATOM 1298 CG1 ILE A 85 2.327 2.886 1.657 1.00 0.00 C ATOM 1299 CG2 ILE A 85 1.891 0.434 1.355 1.00 0.00 C ATOM 1300 CD1 ILE A 85 3.667 2.987 2.352 1.00 0.00 C ATOM 0 H ILE A 85 0.088 3.318 3.529 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.197 2.187 0.864 1.00 0.00 H new ATOM 0 HB ILE A 85 1.677 1.525 3.176 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.489 2.815 0.581 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.764 3.802 1.835 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.954 0.242 1.504 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.314 -0.414 1.724 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.693 0.573 0.292 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.206 3.857 1.978 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.513 3.089 3.426 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.249 2.087 2.153 1.00 0.00 H new ATOM 1312 N TYR A 86 -1.161 -0.082 1.368 1.00 0.00 N ATOM 1313 CA TYR A 86 -1.930 -1.291 1.638 1.00 0.00 C ATOM 1314 C TYR A 86 -1.449 -2.449 0.768 1.00 0.00 C ATOM 1315 O TYR A 86 -1.413 -2.346 -0.459 1.00 0.00 O ATOM 1316 CB TYR A 86 -3.418 -1.039 1.393 1.00 0.00 C ATOM 1317 CG TYR A 86 -4.159 -0.551 2.617 1.00 0.00 C ATOM 1318 CD1 TYR A 86 -4.508 -1.427 3.638 1.00 0.00 C ATOM 1319 CD2 TYR A 86 -4.512 0.786 2.753 1.00 0.00 C ATOM 1320 CE1 TYR A 86 -5.185 -0.986 4.758 1.00 0.00 C ATOM 1321 CE2 TYR A 86 -5.188 1.236 3.870 1.00 0.00 C ATOM 1322 CZ TYR A 86 -5.523 0.346 4.870 1.00 0.00 C ATOM 1323 OH TYR A 86 -6.198 0.791 5.984 1.00 0.00 O ATOM 0 H TYR A 86 -0.924 0.056 0.386 1.00 0.00 H new ATOM 0 HA TYR A 86 -1.781 -1.560 2.684 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -3.527 -0.304 0.596 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -3.881 -1.961 1.042 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -4.245 -2.471 3.554 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.253 1.485 1.972 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -5.448 -1.681 5.542 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -5.453 2.279 3.960 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.712 1.594 5.756 1.00 0.00 H new ATOM 1333 N PHE A 87 -1.080 -3.550 1.412 1.00 0.00 N ATOM 1334 CA PHE A 87 -0.600 -4.729 0.699 1.00 0.00 C ATOM 1335 C PHE A 87 -1.730 -5.731 0.483 1.00 0.00 C ATOM 1336 O PHE A 87 -2.249 -6.313 1.436 1.00 0.00 O ATOM 1337 CB PHE A 87 0.542 -5.390 1.474 1.00 0.00 C ATOM 1338 CG PHE A 87 1.265 -6.447 0.689 1.00 0.00 C ATOM 1339 CD1 PHE A 87 0.602 -7.585 0.261 1.00 0.00 C ATOM 1340 CD2 PHE A 87 2.609 -6.302 0.381 1.00 0.00 C ATOM 1341 CE1 PHE A 87 1.265 -8.560 -0.462 1.00 0.00 C ATOM 1342 CE2 PHE A 87 3.276 -7.273 -0.342 1.00 0.00 C ATOM 1343 CZ PHE A 87 2.604 -8.404 -0.763 1.00 0.00 C ATOM 0 H PHE A 87 -1.104 -3.652 2.427 1.00 0.00 H new ATOM 0 HA PHE A 87 -0.231 -4.409 -0.275 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.255 -4.624 1.779 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.142 -5.835 2.385 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.445 -7.713 0.494 1.00 0.00 H new ATOM 0 HD2 PHE A 87 3.140 -5.421 0.709 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.736 -9.442 -0.791 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.322 -7.147 -0.578 1.00 0.00 H new ATOM 0 HZ PHE A 87 3.124 -9.165 -1.326 1.00 0.00 H new ATOM 1353 N ALA A 88 -2.106 -5.927 -0.776 1.00 0.00 N ATOM 1354 CA ALA A 88 -3.173 -6.859 -1.119 1.00 0.00 C ATOM 1355 C ALA A 88 -2.607 -8.164 -1.669 1.00 0.00 C ATOM 1356 O ALA A 88 -2.288 -8.279 -2.853 1.00 0.00 O ATOM 1357 CB ALA A 88 -4.123 -6.228 -2.125 1.00 0.00 C ATOM 0 H ALA A 88 -1.687 -5.453 -1.576 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.727 -7.089 -0.209 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -4.914 -6.936 -2.372 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.562 -5.328 -1.695 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.574 -5.968 -3.030 1.00 0.00 H new ATOM 1363 N PRO A 89 -2.476 -9.170 -0.793 1.00 0.00 N ATOM 1364 CA PRO A 89 -1.947 -10.484 -1.169 1.00 0.00 C ATOM 1365 C PRO A 89 -2.906 -11.260 -2.066 1.00 0.00 C ATOM 1366 O PRO A 89 -4.057 -11.499 -1.700 1.00 0.00 O ATOM 1367 CB PRO A 89 -1.777 -11.197 0.175 1.00 0.00 C ATOM 1368 CG PRO A 89 -2.759 -10.537 1.080 1.00 0.00 C ATOM 1369 CD PRO A 89 -2.835 -9.103 0.634 1.00 0.00 C ATOM 0 HA PRO A 89 -1.024 -10.402 -1.743 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -1.977 -12.265 0.085 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -0.760 -11.094 0.552 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -3.735 -11.018 1.014 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -2.439 -10.606 2.120 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -3.833 -8.690 0.778 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -2.145 -8.471 1.193 1.00 0.00 H new ATOM 1377 N SER A 90 -2.424 -11.651 -3.241 1.00 0.00 N ATOM 1378 CA SER A 90 -3.240 -12.397 -4.192 1.00 0.00 C ATOM 1379 C SER A 90 -3.866 -13.620 -3.528 1.00 0.00 C ATOM 1380 O SER A 90 -3.181 -14.597 -3.229 1.00 0.00 O ATOM 1381 CB SER A 90 -2.395 -12.831 -5.391 1.00 0.00 C ATOM 1382 OG SER A 90 -1.545 -13.912 -5.052 1.00 0.00 O ATOM 0 H SER A 90 -1.473 -11.464 -3.557 1.00 0.00 H new ATOM 0 HA SER A 90 -4.040 -11.743 -4.538 1.00 0.00 H new ATOM 0 HB2 SER A 90 -3.048 -13.122 -6.214 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.797 -11.990 -5.741 1.00 0.00 H new ATOM 0 HG SER A 90 -1.727 -14.195 -4.132 1.00 0.00 H new ATOM 1388 N GLY A 91 -5.175 -13.556 -3.299 1.00 0.00 N ATOM 1389 CA GLY A 91 -5.873 -14.663 -2.672 1.00 0.00 C ATOM 1390 C GLY A 91 -6.379 -14.319 -1.286 1.00 0.00 C ATOM 1391 O GLY A 91 -7.473 -14.728 -0.897 1.00 0.00 O ATOM 0 H GLY A 91 -5.764 -12.758 -3.537 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.714 -14.960 -3.299 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -5.204 -15.521 -2.608 1.00 0.00 H new ATOM 1395 N ASP A 92 -5.580 -13.566 -0.537 1.00 0.00 N ATOM 1396 CA ASP A 92 -5.953 -13.167 0.816 1.00 0.00 C ATOM 1397 C ASP A 92 -6.214 -11.666 0.887 1.00 0.00 C ATOM 1398 O ASP A 92 -6.103 -11.055 1.950 1.00 0.00 O ATOM 1399 CB ASP A 92 -4.852 -13.553 1.806 1.00 0.00 C ATOM 1400 CG ASP A 92 -4.620 -15.050 1.858 1.00 0.00 C ATOM 1401 OD1 ASP A 92 -5.574 -15.787 2.184 1.00 0.00 O ATOM 1402 OD2 ASP A 92 -3.484 -15.485 1.575 1.00 0.00 O ATOM 0 H ASP A 92 -4.671 -13.220 -0.843 1.00 0.00 H new ATOM 0 HA ASP A 92 -6.871 -13.690 1.083 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -3.924 -13.054 1.526 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.119 -13.195 2.800 1.00 0.00 H new ATOM 1407 N LYS A 93 -6.562 -11.077 -0.252 1.00 0.00 N ATOM 1408 CA LYS A 93 -6.840 -9.647 -0.321 1.00 0.00 C ATOM 1409 C LYS A 93 -7.883 -9.245 0.717 1.00 0.00 C ATOM 1410 O LYS A 93 -7.780 -8.188 1.338 1.00 0.00 O ATOM 1411 CB LYS A 93 -7.326 -9.268 -1.722 1.00 0.00 C ATOM 1412 CG LYS A 93 -6.511 -9.896 -2.839 1.00 0.00 C ATOM 1413 CD LYS A 93 -6.511 -9.027 -4.086 1.00 0.00 C ATOM 1414 CE LYS A 93 -5.420 -9.448 -5.058 1.00 0.00 C ATOM 1415 NZ LYS A 93 -4.060 -9.153 -4.527 1.00 0.00 N ATOM 0 H LYS A 93 -6.658 -11.568 -1.141 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.915 -9.111 -0.107 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.368 -9.570 -1.830 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.296 -8.183 -1.827 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.486 -10.049 -2.501 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.917 -10.878 -3.079 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -7.482 -9.093 -4.577 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -6.366 -7.984 -3.804 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -5.507 -10.515 -5.261 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -5.560 -8.930 -6.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -3.380 -9.838 -4.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.779 -8.191 -4.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -4.070 -9.224 -3.489 1.00 0.00 H new ATOM 1429 N LYS A 94 -8.887 -10.096 0.900 1.00 0.00 N ATOM 1430 CA LYS A 94 -9.948 -9.832 1.864 1.00 0.00 C ATOM 1431 C LYS A 94 -9.397 -9.131 3.102 1.00 0.00 C ATOM 1432 O LYS A 94 -10.044 -8.252 3.668 1.00 0.00 O ATOM 1433 CB LYS A 94 -10.635 -11.139 2.269 1.00 0.00 C ATOM 1434 CG LYS A 94 -11.341 -11.836 1.119 1.00 0.00 C ATOM 1435 CD LYS A 94 -12.785 -11.380 0.992 1.00 0.00 C ATOM 1436 CE LYS A 94 -12.895 -10.100 0.177 1.00 0.00 C ATOM 1437 NZ LYS A 94 -14.248 -9.942 -0.425 1.00 0.00 N ATOM 0 H LYS A 94 -8.988 -10.975 0.393 1.00 0.00 H new ATOM 0 HA LYS A 94 -10.679 -9.176 1.391 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.891 -11.815 2.691 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.359 -10.930 3.056 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -10.811 -11.632 0.189 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -11.311 -12.915 1.273 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -13.376 -12.165 0.520 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -13.205 -11.218 1.985 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -12.679 -9.243 0.815 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -12.144 -10.107 -0.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -14.283 -9.058 -0.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -14.444 -10.747 -1.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -14.962 -9.910 0.330 1.00 0.00 H new ATOM 1451 N ASN A 95 -8.197 -9.526 3.515 1.00 0.00 N ATOM 1452 CA ASN A 95 -7.558 -8.935 4.685 1.00 0.00 C ATOM 1453 C ASN A 95 -6.386 -8.048 4.275 1.00 0.00 C ATOM 1454 O ASN A 95 -5.261 -8.511 4.090 1.00 0.00 O ATOM 1455 CB ASN A 95 -7.075 -10.031 5.637 1.00 0.00 C ATOM 1456 CG ASN A 95 -8.167 -10.501 6.578 1.00 0.00 C ATOM 1457 OD1 ASN A 95 -8.369 -9.927 7.649 1.00 0.00 O ATOM 1458 ND2 ASN A 95 -8.877 -11.552 6.183 1.00 0.00 N ATOM 0 H ASN A 95 -7.648 -10.253 3.057 1.00 0.00 H new ATOM 0 HA ASN A 95 -8.296 -8.318 5.198 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -6.710 -10.878 5.056 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.233 -9.657 6.220 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -9.624 -11.914 6.775 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -8.675 -11.997 5.287 1.00 0.00 H new ATOM 1465 N PRO A 96 -6.655 -6.742 4.130 1.00 0.00 N ATOM 1466 CA PRO A 96 -5.635 -5.763 3.742 1.00 0.00 C ATOM 1467 C PRO A 96 -4.606 -5.530 4.843 1.00 0.00 C ATOM 1468 O PRO A 96 -4.938 -5.548 6.029 1.00 0.00 O ATOM 1469 CB PRO A 96 -6.445 -4.489 3.488 1.00 0.00 C ATOM 1470 CG PRO A 96 -7.671 -4.648 4.320 1.00 0.00 C ATOM 1471 CD PRO A 96 -7.974 -6.121 4.335 1.00 0.00 C ATOM 0 HA PRO A 96 -5.057 -6.096 2.880 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.884 -3.599 3.775 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -6.694 -4.382 2.432 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -7.508 -4.273 5.330 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -8.503 -4.083 3.900 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -8.421 -6.430 5.280 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -8.674 -6.395 3.546 1.00 0.00 H new ATOM 1479 N ILE A 97 -3.358 -5.311 4.443 1.00 0.00 N ATOM 1480 CA ILE A 97 -2.282 -5.072 5.397 1.00 0.00 C ATOM 1481 C ILE A 97 -1.748 -3.649 5.279 1.00 0.00 C ATOM 1482 O ILE A 97 -1.014 -3.324 4.345 1.00 0.00 O ATOM 1483 CB ILE A 97 -1.120 -6.063 5.195 1.00 0.00 C ATOM 1484 CG1 ILE A 97 -1.642 -7.501 5.193 1.00 0.00 C ATOM 1485 CG2 ILE A 97 -0.070 -5.876 6.279 1.00 0.00 C ATOM 1486 CD1 ILE A 97 -0.758 -8.464 4.433 1.00 0.00 C ATOM 0 H ILE A 97 -3.067 -5.294 3.466 1.00 0.00 H new ATOM 0 HA ILE A 97 -2.704 -5.217 6.391 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.656 -5.864 4.229 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -1.739 -7.845 6.223 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.641 -7.516 4.757 1.00 0.00 H new ATOM 0 HG21 ILE A 97 0.744 -6.583 6.123 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.320 -4.859 6.237 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -0.520 -6.052 7.256 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -1.190 -9.464 4.474 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.681 -8.144 3.394 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.235 -8.479 4.883 1.00 0.00 H new ATOM 1498 N LYS A 98 -2.119 -2.802 6.233 1.00 0.00 N ATOM 1499 CA LYS A 98 -1.676 -1.413 6.240 1.00 0.00 C ATOM 1500 C LYS A 98 -0.290 -1.287 6.863 1.00 0.00 C ATOM 1501 O LYS A 98 0.017 -1.946 7.857 1.00 0.00 O ATOM 1502 CB LYS A 98 -2.673 -0.542 7.007 1.00 0.00 C ATOM 1503 CG LYS A 98 -2.150 0.850 7.319 1.00 0.00 C ATOM 1504 CD LYS A 98 -3.285 1.839 7.526 1.00 0.00 C ATOM 1505 CE LYS A 98 -2.794 3.123 8.176 1.00 0.00 C ATOM 1506 NZ LYS A 98 -2.765 3.016 9.661 1.00 0.00 N ATOM 0 H LYS A 98 -2.727 -3.054 7.013 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.623 -1.070 5.207 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.590 -0.454 6.424 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.935 -1.040 7.940 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.530 0.814 8.214 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.513 1.192 6.503 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.748 2.070 6.566 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.055 1.385 8.150 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.795 3.357 7.809 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.442 3.949 7.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.043 3.660 10.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.696 3.274 10.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.536 2.039 9.934 1.00 0.00 H new ATOM 1520 N PHE A 99 0.544 -0.437 6.274 1.00 0.00 N ATOM 1521 CA PHE A 99 1.898 -0.225 6.772 1.00 0.00 C ATOM 1522 C PHE A 99 1.910 0.819 7.885 1.00 0.00 C ATOM 1523 O PHE A 99 1.794 2.017 7.628 1.00 0.00 O ATOM 1524 CB PHE A 99 2.820 0.217 5.634 1.00 0.00 C ATOM 1525 CG PHE A 99 4.123 0.796 6.107 1.00 0.00 C ATOM 1526 CD1 PHE A 99 5.214 -0.024 6.345 1.00 0.00 C ATOM 1527 CD2 PHE A 99 4.255 2.159 6.315 1.00 0.00 C ATOM 1528 CE1 PHE A 99 6.414 0.506 6.780 1.00 0.00 C ATOM 1529 CE2 PHE A 99 5.453 2.694 6.750 1.00 0.00 C ATOM 1530 CZ PHE A 99 6.533 1.867 6.984 1.00 0.00 C ATOM 0 H PHE A 99 0.306 0.116 5.451 1.00 0.00 H new ATOM 0 HA PHE A 99 2.261 -1.169 7.178 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.024 -0.638 4.990 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.302 0.958 5.025 1.00 0.00 H new ATOM 0 HD1 PHE A 99 5.126 -1.089 6.189 1.00 0.00 H new ATOM 0 HD2 PHE A 99 3.413 2.811 6.135 1.00 0.00 H new ATOM 0 HE1 PHE A 99 7.258 -0.143 6.960 1.00 0.00 H new ATOM 0 HE2 PHE A 99 5.544 3.759 6.907 1.00 0.00 H new ATOM 0 HZ PHE A 99 7.469 2.283 7.326 1.00 0.00 H new ATOM 1540 N GLU A 100 2.051 0.355 9.123 1.00 0.00 N ATOM 1541 CA GLU A 100 2.077 1.248 10.275 1.00 0.00 C ATOM 1542 C GLU A 100 3.494 1.384 10.826 1.00 0.00 C ATOM 1543 O GLU A 100 3.734 1.161 12.012 1.00 0.00 O ATOM 1544 CB GLU A 100 1.140 0.732 11.369 1.00 0.00 C ATOM 1545 CG GLU A 100 -0.303 1.173 11.192 1.00 0.00 C ATOM 1546 CD GLU A 100 -1.138 0.952 12.438 1.00 0.00 C ATOM 1547 OE1 GLU A 100 -0.753 1.465 13.509 1.00 0.00 O ATOM 1548 OE2 GLU A 100 -2.177 0.266 12.341 1.00 0.00 O ATOM 0 H GLU A 100 2.149 -0.634 9.353 1.00 0.00 H new ATOM 0 HA GLU A 100 1.737 2.231 9.949 1.00 0.00 H new ATOM 0 HB2 GLU A 100 1.179 -0.357 11.385 1.00 0.00 H new ATOM 0 HB3 GLU A 100 1.501 1.078 12.338 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -0.326 2.230 10.927 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -0.747 0.626 10.360 1.00 0.00 H new ATOM 1583 N ARG A 104 8.411 6.406 7.447 1.00 0.00 N ATOM 1584 CA ARG A 104 8.044 6.098 6.070 1.00 0.00 C ATOM 1585 C ARG A 104 9.197 6.404 5.118 1.00 0.00 C ATOM 1586 O ARG A 104 9.305 7.513 4.595 1.00 0.00 O ATOM 1587 CB ARG A 104 6.805 6.895 5.659 1.00 0.00 C ATOM 1588 CG ARG A 104 5.496 6.179 5.950 1.00 0.00 C ATOM 1589 CD ARG A 104 4.306 6.949 5.399 1.00 0.00 C ATOM 1590 NE ARG A 104 3.782 7.912 6.364 1.00 0.00 N ATOM 1591 CZ ARG A 104 4.274 9.135 6.522 1.00 0.00 C ATOM 1592 NH1 ARG A 104 5.296 9.543 5.782 1.00 0.00 N ATOM 1593 NH2 ARG A 104 3.744 9.954 7.422 1.00 0.00 N ATOM 0 HA ARG A 104 7.819 5.033 6.011 1.00 0.00 H new ATOM 0 HB2 ARG A 104 6.810 7.852 6.181 1.00 0.00 H new ATOM 0 HB3 ARG A 104 6.861 7.113 4.592 1.00 0.00 H new ATOM 0 HG2 ARG A 104 5.520 5.182 5.511 1.00 0.00 H new ATOM 0 HG3 ARG A 104 5.381 6.051 7.026 1.00 0.00 H new ATOM 0 HD2 ARG A 104 4.602 7.472 4.490 1.00 0.00 H new ATOM 0 HD3 ARG A 104 3.518 6.249 5.122 1.00 0.00 H new ATOM 0 HE ARG A 104 2.995 7.630 6.948 1.00 0.00 H new ATOM 0 HH11 ARG A 104 5.706 8.917 5.089 1.00 0.00 H new ATOM 0 HH12 ARG A 104 5.672 10.483 5.906 1.00 0.00 H new ATOM 0 HH21 ARG A 104 2.958 9.644 7.993 1.00 0.00 H new ATOM 0 HH22 ARG A 104 4.123 10.893 7.542 1.00 0.00 H new ATOM 1607 N ASP A 105 10.055 5.414 4.899 1.00 0.00 N ATOM 1608 CA ASP A 105 11.200 5.576 4.011 1.00 0.00 C ATOM 1609 C ASP A 105 11.377 4.349 3.123 1.00 0.00 C ATOM 1610 O ASP A 105 10.630 3.376 3.234 1.00 0.00 O ATOM 1611 CB ASP A 105 12.472 5.822 4.823 1.00 0.00 C ATOM 1612 CG ASP A 105 12.295 6.914 5.859 1.00 0.00 C ATOM 1613 OD1 ASP A 105 11.472 7.825 5.628 1.00 0.00 O ATOM 1614 OD2 ASP A 105 12.979 6.858 6.903 1.00 0.00 O ATOM 0 H ASP A 105 9.979 4.490 5.325 1.00 0.00 H new ATOM 0 HA ASP A 105 11.014 6.440 3.373 1.00 0.00 H new ATOM 0 HB2 ASP A 105 12.767 4.898 5.320 1.00 0.00 H new ATOM 0 HB3 ASP A 105 13.284 6.094 4.148 1.00 0.00 H new ATOM 1619 N LEU A 106 12.370 4.401 2.242 1.00 0.00 N ATOM 1620 CA LEU A 106 12.646 3.293 1.333 1.00 0.00 C ATOM 1621 C LEU A 106 13.270 2.119 2.080 1.00 0.00 C ATOM 1622 O LEU A 106 13.341 1.007 1.558 1.00 0.00 O ATOM 1623 CB LEU A 106 13.577 3.749 0.209 1.00 0.00 C ATOM 1624 CG LEU A 106 13.787 2.755 -0.934 1.00 0.00 C ATOM 1625 CD1 LEU A 106 12.580 2.743 -1.860 1.00 0.00 C ATOM 1626 CD2 LEU A 106 15.053 3.092 -1.708 1.00 0.00 C ATOM 0 H LEU A 106 12.998 5.198 2.138 1.00 0.00 H new ATOM 0 HA LEU A 106 11.700 2.965 0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.182 4.675 -0.209 1.00 0.00 H new ATOM 0 HB3 LEU A 106 14.549 3.984 0.642 1.00 0.00 H new ATOM 0 HG LEU A 106 13.901 1.759 -0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.748 2.030 -2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 106 11.693 2.452 -1.298 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.434 3.738 -2.280 1.00 0.00 H new ATOM 0 HD21 LEU A 106 15.186 2.374 -2.517 1.00 0.00 H new ATOM 0 HD22 LEU A 106 14.969 4.096 -2.124 1.00 0.00 H new ATOM 0 HD23 LEU A 106 15.912 3.047 -1.038 1.00 0.00 H new ATOM 1638 N GLU A 107 13.718 2.374 3.305 1.00 0.00 N ATOM 1639 CA GLU A 107 14.335 1.337 4.124 1.00 0.00 C ATOM 1640 C GLU A 107 13.291 0.632 4.986 1.00 0.00 C ATOM 1641 O GLU A 107 13.375 -0.574 5.222 1.00 0.00 O ATOM 1642 CB GLU A 107 15.425 1.938 5.013 1.00 0.00 C ATOM 1643 CG GLU A 107 16.798 1.960 4.363 1.00 0.00 C ATOM 1644 CD GLU A 107 17.698 3.036 4.937 1.00 0.00 C ATOM 1645 OE1 GLU A 107 17.291 4.216 4.934 1.00 0.00 O ATOM 1646 OE2 GLU A 107 18.812 2.697 5.391 1.00 0.00 O ATOM 0 H GLU A 107 13.665 3.289 3.752 1.00 0.00 H new ATOM 0 HA GLU A 107 14.786 0.603 3.456 1.00 0.00 H new ATOM 0 HB2 GLU A 107 15.143 2.956 5.281 1.00 0.00 H new ATOM 0 HB3 GLU A 107 15.481 1.368 5.941 1.00 0.00 H new ATOM 0 HG2 GLU A 107 17.273 0.987 4.493 1.00 0.00 H new ATOM 0 HG3 GLU A 107 16.686 2.120 3.291 1.00 0.00 H new ATOM 1653 N HIS A 108 12.307 1.394 5.455 1.00 0.00 N ATOM 1654 CA HIS A 108 11.247 0.843 6.291 1.00 0.00 C ATOM 1655 C HIS A 108 10.170 0.180 5.437 1.00 0.00 C ATOM 1656 O HIS A 108 9.603 -0.844 5.820 1.00 0.00 O ATOM 1657 CB HIS A 108 10.625 1.943 7.153 1.00 0.00 C ATOM 1658 CG HIS A 108 11.549 2.473 8.206 1.00 0.00 C ATOM 1659 ND1 HIS A 108 11.853 3.812 8.335 1.00 0.00 N ATOM 1660 CD2 HIS A 108 12.236 1.836 9.183 1.00 0.00 C ATOM 1661 CE1 HIS A 108 12.689 3.975 9.346 1.00 0.00 C ATOM 1662 NE2 HIS A 108 12.936 2.792 9.878 1.00 0.00 N ATOM 0 H HIS A 108 12.222 2.394 5.270 1.00 0.00 H new ATOM 0 HA HIS A 108 11.687 0.087 6.941 1.00 0.00 H new ATOM 0 HB2 HIS A 108 10.312 2.765 6.509 1.00 0.00 H new ATOM 0 HB3 HIS A 108 9.727 1.554 7.632 1.00 0.00 H new ATOM 0 HD2 HIS A 108 12.234 0.774 9.379 1.00 0.00 H new ATOM 0 HE1 HIS A 108 13.100 4.916 9.680 1.00 0.00 H new ATOM 0 HE2 HIS A 108 13.547 2.617 10.675 1.00 0.00 H new ATOM 1671 N LEU A 109 9.893 0.771 4.280 1.00 0.00 N ATOM 1672 CA LEU A 109 8.883 0.238 3.372 1.00 0.00 C ATOM 1673 C LEU A 109 9.280 -1.146 2.869 1.00 0.00 C ATOM 1674 O LEU A 109 8.495 -2.091 2.938 1.00 0.00 O ATOM 1675 CB LEU A 109 8.683 1.186 2.188 1.00 0.00 C ATOM 1676 CG LEU A 109 7.942 2.489 2.489 1.00 0.00 C ATOM 1677 CD1 LEU A 109 8.054 3.450 1.315 1.00 0.00 C ATOM 1678 CD2 LEU A 109 6.482 2.209 2.814 1.00 0.00 C ATOM 0 H LEU A 109 10.353 1.619 3.948 1.00 0.00 H new ATOM 0 HA LEU A 109 7.946 0.150 3.921 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.662 1.435 1.778 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.137 0.653 1.410 1.00 0.00 H new ATOM 0 HG LEU A 109 8.404 2.955 3.359 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.521 4.372 1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 109 9.104 3.675 1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.618 2.992 0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.970 3.148 3.026 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.007 1.720 1.963 1.00 0.00 H new ATOM 0 HD23 LEU A 109 6.422 1.558 3.686 1.00 0.00 H new ATOM 1690 N SER A 110 10.504 -1.258 2.364 1.00 0.00 N ATOM 1691 CA SER A 110 11.005 -2.527 1.847 1.00 0.00 C ATOM 1692 C SER A 110 10.930 -3.615 2.914 1.00 0.00 C ATOM 1693 O SER A 110 10.606 -4.766 2.622 1.00 0.00 O ATOM 1694 CB SER A 110 12.448 -2.370 1.362 1.00 0.00 C ATOM 1695 OG SER A 110 13.263 -1.791 2.366 1.00 0.00 O ATOM 0 H SER A 110 11.167 -0.486 2.302 1.00 0.00 H new ATOM 0 HA SER A 110 10.377 -2.823 1.006 1.00 0.00 H new ATOM 0 HB2 SER A 110 12.849 -3.344 1.081 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.469 -1.747 0.468 1.00 0.00 H new ATOM 0 HG SER A 110 13.376 -0.835 2.185 1.00 0.00 H new ATOM 1701 N LYS A 111 11.233 -3.242 4.153 1.00 0.00 N ATOM 1702 CA LYS A 111 11.199 -4.183 5.266 1.00 0.00 C ATOM 1703 C LYS A 111 9.769 -4.621 5.566 1.00 0.00 C ATOM 1704 O LYS A 111 9.544 -5.570 6.317 1.00 0.00 O ATOM 1705 CB LYS A 111 11.824 -3.553 6.513 1.00 0.00 C ATOM 1706 CG LYS A 111 13.342 -3.550 6.497 1.00 0.00 C ATOM 1707 CD LYS A 111 13.913 -3.092 7.829 1.00 0.00 C ATOM 1708 CE LYS A 111 15.296 -2.483 7.664 1.00 0.00 C ATOM 1709 NZ LYS A 111 15.228 -1.068 7.204 1.00 0.00 N ATOM 0 H LYS A 111 11.505 -2.294 4.412 1.00 0.00 H new ATOM 0 HA LYS A 111 11.777 -5.063 4.983 1.00 0.00 H new ATOM 0 HB2 LYS A 111 11.468 -2.527 6.609 1.00 0.00 H new ATOM 0 HB3 LYS A 111 11.479 -4.094 7.395 1.00 0.00 H new ATOM 0 HG2 LYS A 111 13.706 -4.552 6.269 1.00 0.00 H new ATOM 0 HG3 LYS A 111 13.697 -2.893 5.703 1.00 0.00 H new ATOM 0 HD2 LYS A 111 13.244 -2.360 8.280 1.00 0.00 H new ATOM 0 HD3 LYS A 111 13.967 -3.939 8.513 1.00 0.00 H new ATOM 0 HE2 LYS A 111 15.829 -2.531 8.613 1.00 0.00 H new ATOM 0 HE3 LYS A 111 15.868 -3.071 6.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 16.155 -0.779 6.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 14.511 -0.980 6.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 14.971 -0.455 8.004 1.00 0.00 H new ATOM 1723 N PHE A 112 8.806 -3.923 4.973 1.00 0.00 N ATOM 1724 CA PHE A 112 7.397 -4.240 5.177 1.00 0.00 C ATOM 1725 C PHE A 112 6.875 -5.142 4.061 1.00 0.00 C ATOM 1726 O PHE A 112 6.057 -6.031 4.299 1.00 0.00 O ATOM 1727 CB PHE A 112 6.567 -2.956 5.240 1.00 0.00 C ATOM 1728 CG PHE A 112 5.114 -3.165 4.921 1.00 0.00 C ATOM 1729 CD1 PHE A 112 4.663 -3.100 3.612 1.00 0.00 C ATOM 1730 CD2 PHE A 112 4.201 -3.427 5.929 1.00 0.00 C ATOM 1731 CE1 PHE A 112 3.326 -3.291 3.316 1.00 0.00 C ATOM 1732 CE2 PHE A 112 2.863 -3.619 5.638 1.00 0.00 C ATOM 1733 CZ PHE A 112 2.426 -3.551 4.330 1.00 0.00 C ATOM 0 H PHE A 112 8.975 -3.135 4.348 1.00 0.00 H new ATOM 0 HA PHE A 112 7.304 -4.772 6.124 1.00 0.00 H new ATOM 0 HB2 PHE A 112 6.653 -2.526 6.238 1.00 0.00 H new ATOM 0 HB3 PHE A 112 6.983 -2.229 4.542 1.00 0.00 H new ATOM 0 HD1 PHE A 112 5.363 -2.898 2.815 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.538 -3.482 6.954 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.986 -3.237 2.292 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.161 -3.822 6.433 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.381 -3.701 4.100 1.00 0.00 H new ATOM 1743 N ILE A 113 7.355 -4.905 2.845 1.00 0.00 N ATOM 1744 CA ILE A 113 6.938 -5.695 1.693 1.00 0.00 C ATOM 1745 C ILE A 113 7.479 -7.118 1.778 1.00 0.00 C ATOM 1746 O ILE A 113 6.716 -8.083 1.807 1.00 0.00 O ATOM 1747 CB ILE A 113 7.407 -5.056 0.373 1.00 0.00 C ATOM 1748 CG1 ILE A 113 6.668 -3.740 0.126 1.00 0.00 C ATOM 1749 CG2 ILE A 113 7.190 -6.017 -0.787 1.00 0.00 C ATOM 1750 CD1 ILE A 113 7.304 -2.880 -0.943 1.00 0.00 C ATOM 0 H ILE A 113 8.033 -4.173 2.632 1.00 0.00 H new ATOM 0 HA ILE A 113 5.848 -5.722 1.706 1.00 0.00 H new ATOM 0 HB ILE A 113 8.473 -4.843 0.449 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.639 -3.959 -0.160 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.627 -3.176 1.058 1.00 0.00 H new ATOM 0 HG21 ILE A 113 7.526 -5.551 -1.713 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.758 -6.931 -0.613 1.00 0.00 H new ATOM 0 HG23 ILE A 113 6.130 -6.258 -0.866 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.726 -1.964 -1.064 1.00 0.00 H new ATOM 0 HD12 ILE A 113 8.324 -2.630 -0.650 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.321 -3.425 -1.887 1.00 0.00 H new ATOM 1762 N ASP A 114 8.802 -7.240 1.818 1.00 0.00 N ATOM 1763 CA ASP A 114 9.447 -8.546 1.902 1.00 0.00 C ATOM 1764 C ASP A 114 8.757 -9.426 2.940 1.00 0.00 C ATOM 1765 O ASP A 114 8.295 -10.523 2.627 1.00 0.00 O ATOM 1766 CB ASP A 114 10.926 -8.385 2.253 1.00 0.00 C ATOM 1767 CG ASP A 114 11.785 -8.115 1.033 1.00 0.00 C ATOM 1768 OD1 ASP A 114 11.215 -7.896 -0.057 1.00 0.00 O ATOM 1769 OD2 ASP A 114 13.026 -8.121 1.168 1.00 0.00 O ATOM 0 H ASP A 114 9.448 -6.451 1.794 1.00 0.00 H new ATOM 0 HA ASP A 114 9.363 -9.030 0.929 1.00 0.00 H new ATOM 0 HB2 ASP A 114 11.041 -7.566 2.963 1.00 0.00 H new ATOM 0 HB3 ASP A 114 11.279 -9.289 2.749 1.00 0.00 H new ATOM 1774 N GLU A 115 8.694 -8.938 4.175 1.00 0.00 N ATOM 1775 CA GLU A 115 8.063 -9.683 5.258 1.00 0.00 C ATOM 1776 C GLU A 115 6.731 -10.274 4.808 1.00 0.00 C ATOM 1777 O GLU A 115 6.534 -11.489 4.844 1.00 0.00 O ATOM 1778 CB GLU A 115 7.848 -8.776 6.472 1.00 0.00 C ATOM 1779 CG GLU A 115 9.072 -8.649 7.362 1.00 0.00 C ATOM 1780 CD GLU A 115 9.523 -9.981 7.928 1.00 0.00 C ATOM 1781 OE1 GLU A 115 8.883 -10.466 8.884 1.00 0.00 O ATOM 1782 OE2 GLU A 115 10.516 -10.539 7.416 1.00 0.00 O ATOM 0 H GLU A 115 9.072 -8.031 4.450 1.00 0.00 H new ATOM 0 HA GLU A 115 8.727 -10.501 5.538 1.00 0.00 H new ATOM 0 HB2 GLU A 115 7.556 -7.784 6.127 1.00 0.00 H new ATOM 0 HB3 GLU A 115 7.019 -9.165 7.063 1.00 0.00 H new ATOM 0 HG2 GLU A 115 9.888 -8.207 6.790 1.00 0.00 H new ATOM 0 HG3 GLU A 115 8.851 -7.966 8.182 1.00 0.00 H new ATOM 1789 N HIS A 116 5.817 -9.406 4.385 1.00 0.00 N ATOM 1790 CA HIS A 116 4.503 -9.841 3.927 1.00 0.00 C ATOM 1791 C HIS A 116 4.605 -10.562 2.587 1.00 0.00 C ATOM 1792 O HIS A 116 3.686 -11.273 2.181 1.00 0.00 O ATOM 1793 CB HIS A 116 3.560 -8.644 3.805 1.00 0.00 C ATOM 1794 CG HIS A 116 3.223 -8.010 5.119 1.00 0.00 C ATOM 1795 ND1 HIS A 116 2.650 -8.527 6.231 1.00 0.00 N flip ATOM 1796 CD2 HIS A 116 3.474 -6.683 5.401 1.00 0.00 C flip ATOM 1797 CE1 HIS A 116 2.568 -7.515 7.155 1.00 0.00 C flip ATOM 1798 NE2 HIS A 116 3.072 -6.413 6.630 1.00 0.00 N flip ATOM 0 H HIS A 116 5.963 -8.397 4.350 1.00 0.00 H new ATOM 0 HA HIS A 116 4.101 -10.537 4.664 1.00 0.00 H new ATOM 0 HB2 HIS A 116 4.017 -7.896 3.157 1.00 0.00 H new ATOM 0 HB3 HIS A 116 2.639 -8.966 3.319 1.00 0.00 H new ATOM 0 HD2 HIS A 116 3.928 -5.976 4.723 1.00 0.00 H new ATOM 0 HE1 HIS A 116 2.158 -7.605 8.150 1.00 0.00 H new ATOM 0 HE2 HIS A 116 3.139 -5.507 7.094 1.00 0.00 H new