USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 504 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 NoAdj-H: A 28 HIS HD1 : A 28 HIS ND1 : A 67 ZNZN :(H bumps) USER MOD NoAdj-H: A 31 HIS HD1 : A 31 HIS ND1 : A 67 ZNZN :(H bumps) USER MOD NoAdj-H: A 58 HIS HD1 : A 58 HIS ND1 : A 68 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.0867 (180deg=0) USER MOD Single : A 2 SER OG : rot -69:sc= 1.1 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -2.61! K(o=-2.6!,f=-0.32) USER MOD Single : A 23 MET CE :methyl -158:sc= -1.27 (180deg=-3.31!) USER MOD Single : A 25 LYS NZ :NH3+ 163:sc=-0.00141 (180deg=-0.149) USER MOD Single : A 26 GLN : amide:sc= -6.95! K(o=-7!,f=-1.7) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -160:sc= -0.0988 (180deg=-0.873) USER MOD Single : A 44 HIS : no HD1:sc= -0.134 X(o=-0.13,f=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.475 K(o=-0.48,f=-1.1) USER MOD Single : A 47 TYR OH : rot 4:sc= -0.725 USER MOD Single : A 50 LYS NZ :NH3+ 177:sc= -3.24! (180deg=-3.87!) USER MOD Single : A 54 TYR OH : rot 150:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -124:sc= 0.00169 USER MOD Single : A 60 ASN : amide:sc= 0.18 K(o=0.18,f=-4.2!) USER MOD Single : A 61 GLN : amide:sc= -1.07 K(o=-1.1,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.958 30.378 5.479 1.00 0.00 N ATOM 2 CA GLY A 1 8.331 29.037 5.657 1.00 0.00 C ATOM 3 C GLY A 1 8.176 28.361 4.293 1.00 0.00 C ATOM 4 O GLY A 1 8.211 29.003 3.263 1.00 0.00 O ATOM 0 H1 GLY A 1 9.919 30.367 5.876 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.005 30.608 4.466 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.388 31.096 5.971 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.946 28.420 6.313 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.358 29.140 6.137 1.00 0.00 H new ATOM 10 N SER A 2 8.006 27.067 4.278 1.00 0.00 N ATOM 11 CA SER A 2 7.850 26.350 2.981 1.00 0.00 C ATOM 12 C SER A 2 7.550 24.874 3.248 1.00 0.00 C ATOM 13 O SER A 2 8.078 23.996 2.594 1.00 0.00 O ATOM 14 CB SER A 2 9.142 26.471 2.174 1.00 0.00 C ATOM 15 OG SER A 2 9.115 25.538 1.102 1.00 0.00 O ATOM 0 H SER A 2 7.968 26.475 5.108 1.00 0.00 H new ATOM 0 HA SER A 2 7.028 26.791 2.417 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.249 27.484 1.787 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.003 26.282 2.814 1.00 0.00 H new ATOM 0 HG SER A 2 9.176 24.627 1.459 1.00 0.00 H new ATOM 21 N MET A 3 6.706 24.593 4.202 1.00 0.00 N ATOM 22 CA MET A 3 6.374 23.172 4.508 1.00 0.00 C ATOM 23 C MET A 3 5.351 22.659 3.494 1.00 0.00 C ATOM 24 O MET A 3 4.985 23.348 2.562 1.00 0.00 O ATOM 25 CB MET A 3 5.786 23.079 5.917 1.00 0.00 C ATOM 26 CG MET A 3 6.833 23.526 6.939 1.00 0.00 C ATOM 27 SD MET A 3 8.103 22.246 7.101 1.00 0.00 S ATOM 28 CE MET A 3 8.572 22.606 8.810 1.00 0.00 C ATOM 0 H MET A 3 6.232 25.285 4.783 1.00 0.00 H new ATOM 0 HA MET A 3 7.278 22.566 4.451 1.00 0.00 H new ATOM 0 HB2 MET A 3 4.897 23.706 5.993 1.00 0.00 H new ATOM 0 HB3 MET A 3 5.473 22.056 6.125 1.00 0.00 H new ATOM 0 HG2 MET A 3 7.287 24.466 6.624 1.00 0.00 H new ATOM 0 HG3 MET A 3 6.360 23.708 7.904 1.00 0.00 H new ATOM 0 HE1 MET A 3 9.359 21.920 9.123 1.00 0.00 H new ATOM 0 HE2 MET A 3 8.935 23.631 8.879 1.00 0.00 H new ATOM 0 HE3 MET A 3 7.705 22.484 9.459 1.00 0.00 H new ATOM 38 N GLY A 4 4.886 21.451 3.665 1.00 0.00 N ATOM 39 CA GLY A 4 3.886 20.894 2.709 1.00 0.00 C ATOM 40 C GLY A 4 3.159 19.716 3.358 1.00 0.00 C ATOM 41 O GLY A 4 3.251 19.497 4.549 1.00 0.00 O ATOM 0 H GLY A 4 5.155 20.826 4.425 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.170 21.665 2.425 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.383 20.569 1.795 1.00 0.00 H new ATOM 45 N VAL A 5 2.435 18.954 2.584 1.00 0.00 N ATOM 46 CA VAL A 5 1.701 17.790 3.157 1.00 0.00 C ATOM 47 C VAL A 5 1.469 16.741 2.063 1.00 0.00 C ATOM 48 O VAL A 5 1.009 17.070 0.988 1.00 0.00 O ATOM 49 CB VAL A 5 0.335 18.251 3.686 1.00 0.00 C ATOM 50 CG1 VAL A 5 -0.681 17.112 3.567 1.00 0.00 C ATOM 51 CG2 VAL A 5 0.438 18.656 5.156 1.00 0.00 C ATOM 0 H VAL A 5 2.320 19.087 1.579 1.00 0.00 H new ATOM 0 HA VAL A 5 2.291 17.363 3.968 1.00 0.00 H new ATOM 0 HB VAL A 5 0.013 19.107 3.093 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.648 17.446 3.944 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.780 16.821 2.521 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.339 16.257 4.151 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.539 18.980 5.514 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.776 17.804 5.745 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.151 19.474 5.259 1.00 0.00 H new ATOM 61 N PRO A 6 1.755 15.502 2.378 1.00 0.00 N ATOM 62 CA PRO A 6 1.539 14.400 1.441 1.00 0.00 C ATOM 63 C PRO A 6 0.052 14.156 1.326 1.00 0.00 C ATOM 64 O PRO A 6 -0.726 14.602 2.144 1.00 0.00 O ATOM 65 CB PRO A 6 2.232 13.191 2.077 1.00 0.00 C ATOM 66 CG PRO A 6 2.697 13.620 3.489 1.00 0.00 C ATOM 67 CD PRO A 6 2.328 15.095 3.673 1.00 0.00 C ATOM 0 HA PRO A 6 1.930 14.601 0.443 1.00 0.00 H new ATOM 0 HB2 PRO A 6 1.549 12.344 2.138 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.081 12.873 1.473 1.00 0.00 H new ATOM 0 HG2 PRO A 6 2.217 13.008 4.252 1.00 0.00 H new ATOM 0 HG3 PRO A 6 3.772 13.479 3.597 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.610 15.225 4.482 1.00 0.00 H new ATOM 0 HD3 PRO A 6 3.203 15.694 3.924 1.00 0.00 H new ATOM 75 N ILE A 7 -0.350 13.456 0.319 1.00 0.00 N ATOM 76 CA ILE A 7 -1.793 13.188 0.155 1.00 0.00 C ATOM 77 C ILE A 7 -1.998 11.720 -0.177 1.00 0.00 C ATOM 78 O ILE A 7 -1.480 11.197 -1.143 1.00 0.00 O ATOM 79 CB ILE A 7 -2.346 14.095 -0.935 1.00 0.00 C ATOM 80 CG1 ILE A 7 -2.527 15.482 -0.323 1.00 0.00 C ATOM 81 CG2 ILE A 7 -3.692 13.553 -1.403 1.00 0.00 C ATOM 82 CD1 ILE A 7 -2.931 16.503 -1.379 1.00 0.00 C ATOM 0 H ILE A 7 0.256 13.057 -0.398 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.330 13.400 1.079 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.672 14.140 -1.791 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.287 15.442 0.457 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.598 15.796 0.153 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.093 14.199 -2.184 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.561 12.545 -1.797 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.386 13.527 -0.563 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.052 17.481 -0.912 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.157 16.560 -2.145 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.873 16.200 -1.836 1.00 0.00 H new ATOM 94 N CYS A 8 -2.731 11.051 0.659 1.00 0.00 N ATOM 95 CA CYS A 8 -2.968 9.605 0.462 1.00 0.00 C ATOM 96 C CYS A 8 -3.622 9.363 -0.891 1.00 0.00 C ATOM 97 O CYS A 8 -4.720 9.807 -1.160 1.00 0.00 O ATOM 98 CB CYS A 8 -3.857 9.087 1.590 1.00 0.00 C ATOM 99 SG CYS A 8 -4.408 7.406 1.217 1.00 0.00 S ATOM 0 H CYS A 8 -3.182 11.452 1.482 1.00 0.00 H new ATOM 0 HA CYS A 8 -2.018 9.070 0.481 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -3.308 9.099 2.532 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -4.719 9.742 1.715 1.00 0.00 H new ATOM 104 N GLY A 9 -2.941 8.657 -1.743 1.00 0.00 N ATOM 105 CA GLY A 9 -3.494 8.370 -3.091 1.00 0.00 C ATOM 106 C GLY A 9 -4.755 7.522 -2.948 1.00 0.00 C ATOM 107 O GLY A 9 -5.397 7.177 -3.920 1.00 0.00 O ATOM 0 H GLY A 9 -2.018 8.263 -1.562 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.725 9.301 -3.608 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -2.755 7.844 -3.696 1.00 0.00 H new ATOM 111 N ALA A 10 -5.112 7.178 -1.742 1.00 0.00 N ATOM 112 CA ALA A 10 -6.329 6.345 -1.535 1.00 0.00 C ATOM 113 C ALA A 10 -7.556 7.250 -1.460 1.00 0.00 C ATOM 114 O ALA A 10 -8.525 7.060 -2.169 1.00 0.00 O ATOM 115 CB ALA A 10 -6.188 5.553 -0.231 1.00 0.00 C ATOM 0 H ALA A 10 -4.614 7.438 -0.891 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.444 5.650 -2.367 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.078 4.943 -0.078 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.311 4.908 -0.290 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.074 6.244 0.604 1.00 0.00 H new ATOM 121 N CYS A 11 -7.518 8.232 -0.606 1.00 0.00 N ATOM 122 CA CYS A 11 -8.675 9.162 -0.473 1.00 0.00 C ATOM 123 C CYS A 11 -8.273 10.541 -0.995 1.00 0.00 C ATOM 124 O CYS A 11 -9.023 11.492 -0.900 1.00 0.00 O ATOM 125 CB CYS A 11 -9.070 9.268 1.002 1.00 0.00 C ATOM 126 SG CYS A 11 -7.575 9.280 2.021 1.00 0.00 S ATOM 0 H CYS A 11 -6.731 8.433 0.010 1.00 0.00 H new ATOM 0 HA CYS A 11 -9.520 8.786 -1.049 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -9.647 10.177 1.172 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -9.708 8.429 1.281 1.00 0.00 H new ATOM 131 N ARG A 12 -7.089 10.663 -1.534 1.00 0.00 N ATOM 132 CA ARG A 12 -6.641 11.982 -2.046 1.00 0.00 C ATOM 133 C ARG A 12 -6.801 13.008 -0.930 1.00 0.00 C ATOM 134 O ARG A 12 -7.249 14.117 -1.146 1.00 0.00 O ATOM 135 CB ARG A 12 -7.493 12.394 -3.255 1.00 0.00 C ATOM 136 CG ARG A 12 -7.171 11.494 -4.458 1.00 0.00 C ATOM 137 CD ARG A 12 -8.113 10.287 -4.473 1.00 0.00 C ATOM 138 NE ARG A 12 -9.490 10.736 -4.823 1.00 0.00 N ATOM 139 CZ ARG A 12 -10.389 9.863 -5.188 1.00 0.00 C ATOM 140 NH1 ARG A 12 -10.082 8.597 -5.246 1.00 0.00 N ATOM 141 NH2 ARG A 12 -11.595 10.257 -5.496 1.00 0.00 N ATOM 0 H ARG A 12 -6.416 9.904 -1.640 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.599 11.925 -2.360 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.552 12.318 -3.007 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.299 13.436 -3.508 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.275 12.059 -5.384 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.136 11.158 -4.405 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.765 9.549 -5.196 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.114 9.801 -3.497 1.00 0.00 H new ATOM 0 HE ARG A 12 -9.730 11.726 -4.777 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.140 8.289 -5.006 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.784 7.914 -5.531 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -11.835 11.247 -5.451 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -12.297 9.574 -5.781 1.00 0.00 H new ATOM 155 N ARG A 13 -6.434 12.638 0.270 1.00 0.00 N ATOM 156 CA ARG A 13 -6.555 13.576 1.421 1.00 0.00 C ATOM 157 C ARG A 13 -5.152 13.867 1.968 1.00 0.00 C ATOM 158 O ARG A 13 -4.316 12.986 1.990 1.00 0.00 O ATOM 159 CB ARG A 13 -7.403 12.926 2.520 1.00 0.00 C ATOM 160 CG ARG A 13 -8.889 13.128 2.215 1.00 0.00 C ATOM 161 CD ARG A 13 -9.724 12.639 3.399 1.00 0.00 C ATOM 162 NE ARG A 13 -11.139 12.461 2.969 1.00 0.00 N ATOM 163 CZ ARG A 13 -11.966 11.778 3.712 1.00 0.00 C ATOM 164 NH1 ARG A 13 -11.553 11.251 4.833 1.00 0.00 N ATOM 165 NH2 ARG A 13 -13.205 11.622 3.335 1.00 0.00 N ATOM 0 H ARG A 13 -6.054 11.720 0.501 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.030 14.503 1.098 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.177 11.862 2.585 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.158 13.364 3.488 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.092 14.182 2.024 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.163 12.582 1.313 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.325 11.696 3.774 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.669 13.357 4.218 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.462 12.873 2.093 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.584 11.373 5.128 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.199 10.717 5.414 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.527 12.034 2.459 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.851 11.088 3.916 1.00 0.00 H new ATOM 179 N PRO A 14 -4.924 15.086 2.393 1.00 0.00 N ATOM 180 CA PRO A 14 -3.613 15.485 2.936 1.00 0.00 C ATOM 181 C PRO A 14 -3.201 14.565 4.087 1.00 0.00 C ATOM 182 O PRO A 14 -3.797 14.571 5.145 1.00 0.00 O ATOM 183 CB PRO A 14 -3.814 16.932 3.417 1.00 0.00 C ATOM 184 CG PRO A 14 -5.233 17.375 3.001 1.00 0.00 C ATOM 185 CD PRO A 14 -5.939 16.161 2.377 1.00 0.00 C ATOM 0 HA PRO A 14 -2.816 15.412 2.196 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -3.696 16.995 4.499 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.064 17.589 2.976 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.789 17.738 3.866 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.183 18.197 2.287 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.823 15.880 2.950 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -6.272 16.376 1.362 1.00 0.00 H new ATOM 193 N ILE A 15 -2.172 13.778 3.890 1.00 0.00 N ATOM 194 CA ILE A 15 -1.718 12.870 4.984 1.00 0.00 C ATOM 195 C ILE A 15 -1.052 13.716 6.071 1.00 0.00 C ATOM 196 O ILE A 15 -0.629 14.828 5.822 1.00 0.00 O ATOM 197 CB ILE A 15 -0.728 11.836 4.431 1.00 0.00 C ATOM 198 CG1 ILE A 15 -1.434 10.966 3.386 1.00 0.00 C ATOM 199 CG2 ILE A 15 -0.226 10.942 5.567 1.00 0.00 C ATOM 200 CD1 ILE A 15 -0.409 10.438 2.376 1.00 0.00 C ATOM 0 H ILE A 15 -1.632 13.726 3.026 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.570 12.335 5.404 1.00 0.00 H new ATOM 0 HB ILE A 15 0.115 12.355 3.975 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.940 10.133 3.874 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.199 11.547 2.872 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.477 10.209 5.170 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.274 11.554 6.318 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.070 10.425 6.023 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.914 9.820 1.634 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.077 11.277 1.878 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.340 9.841 2.896 1.00 0.00 H new ATOM 212 N GLU A 16 -0.964 13.223 7.278 1.00 0.00 N ATOM 213 CA GLU A 16 -0.331 14.049 8.353 1.00 0.00 C ATOM 214 C GLU A 16 0.096 13.170 9.533 1.00 0.00 C ATOM 215 O GLU A 16 -0.358 13.338 10.647 1.00 0.00 O ATOM 216 CB GLU A 16 -1.327 15.106 8.840 1.00 0.00 C ATOM 217 CG GLU A 16 -2.664 14.445 9.182 1.00 0.00 C ATOM 218 CD GLU A 16 -3.464 14.206 7.900 1.00 0.00 C ATOM 219 OE1 GLU A 16 -4.046 15.156 7.404 1.00 0.00 O ATOM 220 OE2 GLU A 16 -3.482 13.078 7.438 1.00 0.00 O ATOM 0 H GLU A 16 -1.295 12.302 7.565 1.00 0.00 H new ATOM 0 HA GLU A 16 0.554 14.534 7.941 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.929 15.616 9.717 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.473 15.863 8.070 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.492 13.500 9.696 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.231 15.080 9.863 1.00 0.00 H new ATOM 227 N GLY A 17 0.978 12.248 9.290 1.00 0.00 N ATOM 228 CA GLY A 17 1.467 11.355 10.377 1.00 0.00 C ATOM 229 C GLY A 17 2.563 10.478 9.796 1.00 0.00 C ATOM 230 O GLY A 17 3.673 10.917 9.571 1.00 0.00 O ATOM 0 H GLY A 17 1.388 12.070 8.373 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.849 11.943 11.212 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.653 10.743 10.765 1.00 0.00 H new ATOM 234 N ARG A 18 2.242 9.256 9.505 1.00 0.00 N ATOM 235 CA ARG A 18 3.237 8.345 8.882 1.00 0.00 C ATOM 236 C ARG A 18 2.766 8.085 7.458 1.00 0.00 C ATOM 237 O ARG A 18 1.658 7.645 7.230 1.00 0.00 O ATOM 238 CB ARG A 18 3.319 7.038 9.663 1.00 0.00 C ATOM 239 CG ARG A 18 4.134 7.257 10.939 1.00 0.00 C ATOM 240 CD ARG A 18 4.455 5.906 11.575 1.00 0.00 C ATOM 241 NE ARG A 18 3.229 5.354 12.218 1.00 0.00 N ATOM 242 CZ ARG A 18 3.180 4.096 12.559 1.00 0.00 C ATOM 243 NH1 ARG A 18 4.207 3.319 12.338 1.00 0.00 N ATOM 244 NH2 ARG A 18 2.107 3.613 13.122 1.00 0.00 N ATOM 0 H ARG A 18 1.325 8.843 9.673 1.00 0.00 H new ATOM 0 HA ARG A 18 4.232 8.791 8.886 1.00 0.00 H new ATOM 0 HB2 ARG A 18 2.318 6.688 9.914 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.783 6.265 9.051 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.056 7.790 10.708 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.574 7.877 11.639 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.824 5.214 10.818 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.247 6.020 12.315 1.00 0.00 H new ATOM 0 HE ARG A 18 2.428 5.961 12.392 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.047 3.696 11.899 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.169 2.335 12.605 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.305 4.219 13.296 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.070 2.629 13.388 1.00 0.00 H new ATOM 258 N VAL A 19 3.579 8.405 6.496 1.00 0.00 N ATOM 259 CA VAL A 19 3.159 8.234 5.075 1.00 0.00 C ATOM 260 C VAL A 19 3.743 6.961 4.476 1.00 0.00 C ATOM 261 O VAL A 19 4.742 6.440 4.934 1.00 0.00 O ATOM 262 CB VAL A 19 3.662 9.433 4.265 1.00 0.00 C ATOM 263 CG1 VAL A 19 3.143 9.348 2.823 1.00 0.00 C ATOM 264 CG2 VAL A 19 3.160 10.731 4.904 1.00 0.00 C ATOM 0 H VAL A 19 4.519 8.779 6.629 1.00 0.00 H new ATOM 0 HA VAL A 19 2.072 8.167 5.041 1.00 0.00 H new ATOM 0 HB VAL A 19 4.752 9.423 4.258 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.506 10.205 2.255 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.501 8.428 2.361 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.053 9.351 2.828 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.519 11.583 4.327 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.070 10.733 4.915 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.534 10.802 5.926 1.00 0.00 H new ATOM 274 N VAL A 20 3.136 6.481 3.423 1.00 0.00 N ATOM 275 CA VAL A 20 3.649 5.269 2.737 1.00 0.00 C ATOM 276 C VAL A 20 3.919 5.657 1.291 1.00 0.00 C ATOM 277 O VAL A 20 3.019 6.019 0.563 1.00 0.00 O ATOM 278 CB VAL A 20 2.611 4.146 2.792 1.00 0.00 C ATOM 279 CG1 VAL A 20 2.894 3.128 1.682 1.00 0.00 C ATOM 280 CG2 VAL A 20 2.695 3.450 4.151 1.00 0.00 C ATOM 0 H VAL A 20 2.297 6.885 3.007 1.00 0.00 H new ATOM 0 HA VAL A 20 4.556 4.907 3.222 1.00 0.00 H new ATOM 0 HB VAL A 20 1.614 4.565 2.653 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.153 2.329 1.723 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.840 3.623 0.712 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.890 2.707 1.820 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.957 2.649 4.196 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.693 3.032 4.285 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.495 4.172 4.943 1.00 0.00 H new ATOM 290 N ASN A 21 5.145 5.614 0.870 1.00 0.00 N ATOM 291 CA ASN A 21 5.454 6.009 -0.528 1.00 0.00 C ATOM 292 C ASN A 21 5.365 4.788 -1.439 1.00 0.00 C ATOM 293 O ASN A 21 6.220 3.925 -1.428 1.00 0.00 O ATOM 294 CB ASN A 21 6.857 6.602 -0.590 1.00 0.00 C ATOM 295 CG ASN A 21 6.877 7.948 0.135 1.00 0.00 C ATOM 296 OD1 ASN A 21 7.401 8.919 -0.375 1.00 0.00 O ATOM 297 ND2 ASN A 21 6.325 8.049 1.313 1.00 0.00 N ATOM 0 H ASN A 21 5.946 5.324 1.430 1.00 0.00 H new ATOM 0 HA ASN A 21 4.733 6.755 -0.863 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.572 5.919 -0.131 1.00 0.00 H new ATOM 0 HB3 ASN A 21 7.162 6.732 -1.628 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.333 8.942 1.805 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.885 7.235 1.742 1.00 0.00 H new ATOM 304 N ALA A 22 4.331 4.713 -2.227 1.00 0.00 N ATOM 305 CA ALA A 22 4.168 3.554 -3.146 1.00 0.00 C ATOM 306 C ALA A 22 3.502 4.033 -4.433 1.00 0.00 C ATOM 307 O ALA A 22 2.872 5.072 -4.463 1.00 0.00 O ATOM 308 CB ALA A 22 3.286 2.499 -2.479 1.00 0.00 C ATOM 0 H ALA A 22 3.587 5.409 -2.274 1.00 0.00 H new ATOM 0 HA ALA A 22 5.142 3.120 -3.373 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.165 1.649 -3.150 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.754 2.166 -1.553 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.309 2.929 -2.258 1.00 0.00 H new ATOM 314 N MET A 23 3.637 3.295 -5.500 1.00 0.00 N ATOM 315 CA MET A 23 3.011 3.724 -6.778 1.00 0.00 C ATOM 316 C MET A 23 3.569 5.087 -7.145 1.00 0.00 C ATOM 317 O MET A 23 3.017 5.813 -7.949 1.00 0.00 O ATOM 318 CB MET A 23 1.494 3.835 -6.604 1.00 0.00 C ATOM 319 CG MET A 23 0.954 2.617 -5.847 1.00 0.00 C ATOM 320 SD MET A 23 0.837 1.214 -6.983 1.00 0.00 S ATOM 321 CE MET A 23 1.365 -0.078 -5.831 1.00 0.00 C ATOM 0 H MET A 23 4.153 2.416 -5.541 1.00 0.00 H new ATOM 0 HA MET A 23 3.227 2.996 -7.560 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.250 4.747 -6.060 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.014 3.907 -7.580 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.612 2.371 -5.013 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.026 2.841 -5.425 1.00 0.00 H new ATOM 0 HE1 MET A 23 1.737 -0.935 -6.392 1.00 0.00 H new ATOM 0 HE2 MET A 23 2.157 0.308 -5.190 1.00 0.00 H new ATOM 0 HE3 MET A 23 0.519 -0.386 -5.217 1.00 0.00 H new ATOM 331 N GLY A 24 4.654 5.440 -6.536 1.00 0.00 N ATOM 332 CA GLY A 24 5.265 6.766 -6.807 1.00 0.00 C ATOM 333 C GLY A 24 4.360 7.831 -6.198 1.00 0.00 C ATOM 334 O GLY A 24 4.302 8.958 -6.650 1.00 0.00 O ATOM 0 H GLY A 24 5.151 4.865 -5.856 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.264 6.821 -6.375 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.373 6.925 -7.880 1.00 0.00 H new ATOM 338 N LYS A 25 3.638 7.457 -5.181 1.00 0.00 N ATOM 339 CA LYS A 25 2.697 8.403 -4.518 1.00 0.00 C ATOM 340 C LYS A 25 2.894 8.356 -3.004 1.00 0.00 C ATOM 341 O LYS A 25 3.944 8.011 -2.504 1.00 0.00 O ATOM 342 CB LYS A 25 1.261 7.971 -4.837 1.00 0.00 C ATOM 343 CG LYS A 25 0.993 8.091 -6.346 1.00 0.00 C ATOM 344 CD LYS A 25 -0.330 8.834 -6.578 1.00 0.00 C ATOM 345 CE LYS A 25 -0.105 10.342 -6.442 1.00 0.00 C ATOM 346 NZ LYS A 25 0.559 10.857 -7.672 1.00 0.00 N ATOM 0 H LYS A 25 3.660 6.522 -4.774 1.00 0.00 H new ATOM 0 HA LYS A 25 2.885 9.414 -4.879 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.102 6.942 -4.513 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.556 8.592 -4.285 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.811 8.625 -6.829 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.949 7.100 -6.797 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.719 8.603 -7.569 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.076 8.501 -5.857 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.057 10.850 -6.290 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.512 10.551 -5.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.456 11.891 -7.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.569 10.610 -7.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.116 10.430 -8.510 1.00 0.00 H new ATOM 360 N GLN A 26 1.866 8.696 -2.288 1.00 0.00 N ATOM 361 CA GLN A 26 1.903 8.683 -0.805 1.00 0.00 C ATOM 362 C GLN A 26 0.593 8.043 -0.348 1.00 0.00 C ATOM 363 O GLN A 26 -0.429 8.229 -0.978 1.00 0.00 O ATOM 364 CB GLN A 26 2.000 10.127 -0.309 1.00 0.00 C ATOM 365 CG GLN A 26 3.455 10.614 -0.455 1.00 0.00 C ATOM 366 CD GLN A 26 3.493 12.090 -0.875 1.00 0.00 C ATOM 367 OE1 GLN A 26 4.554 12.639 -1.096 1.00 0.00 O ATOM 368 NE2 GLN A 26 2.380 12.760 -0.998 1.00 0.00 N ATOM 0 H GLN A 26 0.973 8.992 -2.682 1.00 0.00 H new ATOM 0 HA GLN A 26 2.755 8.128 -0.413 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.330 10.767 -0.883 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.686 10.189 0.733 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.983 10.486 0.490 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.975 10.006 -1.196 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.487 12.303 -0.814 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.403 13.740 -1.279 1.00 0.00 H new ATOM 377 N TRP A 27 0.596 7.262 0.696 1.00 0.00 N ATOM 378 CA TRP A 27 -0.678 6.604 1.106 1.00 0.00 C ATOM 379 C TRP A 27 -0.799 6.575 2.624 1.00 0.00 C ATOM 380 O TRP A 27 0.150 6.279 3.322 1.00 0.00 O ATOM 381 CB TRP A 27 -0.667 5.170 0.572 1.00 0.00 C ATOM 382 CG TRP A 27 -0.442 5.188 -0.906 1.00 0.00 C ATOM 383 CD1 TRP A 27 0.764 5.267 -1.514 1.00 0.00 C ATOM 384 CD2 TRP A 27 -1.429 5.126 -1.967 1.00 0.00 C ATOM 385 NE1 TRP A 27 0.573 5.266 -2.886 1.00 0.00 N ATOM 386 CE2 TRP A 27 -0.764 5.181 -3.213 1.00 0.00 C ATOM 387 CE3 TRP A 27 -2.825 5.032 -1.965 1.00 0.00 C ATOM 388 CZ2 TRP A 27 -1.467 5.144 -4.418 1.00 0.00 C ATOM 389 CZ3 TRP A 27 -3.538 4.993 -3.170 1.00 0.00 C ATOM 390 CH2 TRP A 27 -2.862 5.051 -4.396 1.00 0.00 C ATOM 0 H TRP A 27 1.409 7.053 1.275 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.524 7.161 0.703 1.00 0.00 H new ATOM 0 HB2 TRP A 27 0.118 4.594 1.063 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -1.613 4.679 0.800 1.00 0.00 H new ATOM 0 HD1 TRP A 27 1.719 5.322 -1.012 1.00 0.00 H new ATOM 0 HE1 TRP A 27 1.328 5.321 -3.570 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -3.357 4.989 -1.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -0.938 5.187 -5.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.615 4.918 -3.154 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -3.417 5.024 -5.322 1.00 0.00 H new ATOM 401 N HIS A 28 -1.968 6.842 3.155 1.00 0.00 N ATOM 402 CA HIS A 28 -2.106 6.773 4.635 1.00 0.00 C ATOM 403 C HIS A 28 -1.627 5.384 5.046 1.00 0.00 C ATOM 404 O HIS A 28 -1.923 4.403 4.392 1.00 0.00 O ATOM 405 CB HIS A 28 -3.568 6.946 5.062 1.00 0.00 C ATOM 406 CG HIS A 28 -3.940 8.403 5.082 1.00 0.00 C ATOM 407 ND1 HIS A 28 -4.899 8.928 4.234 1.00 0.00 N ATOM 408 CD2 HIS A 28 -3.507 9.450 5.855 1.00 0.00 C ATOM 409 CE1 HIS A 28 -5.013 10.240 4.510 1.00 0.00 C ATOM 410 NE2 HIS A 28 -4.186 10.610 5.491 1.00 0.00 N ATOM 0 H HIS A 28 -2.810 7.098 2.640 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.528 7.567 5.107 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.220 6.407 4.375 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -3.718 6.512 6.051 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -2.755 9.385 6.627 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -5.690 10.911 4.001 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -4.075 11.543 5.889 1.00 0.00 H new ATOM 418 N VAL A 29 -0.887 5.280 6.098 1.00 0.00 N ATOM 419 CA VAL A 29 -0.392 3.947 6.514 1.00 0.00 C ATOM 420 C VAL A 29 -1.580 3.012 6.731 1.00 0.00 C ATOM 421 O VAL A 29 -1.437 1.805 6.756 1.00 0.00 O ATOM 422 CB VAL A 29 0.401 4.099 7.809 1.00 0.00 C ATOM 423 CG1 VAL A 29 0.495 2.750 8.524 1.00 0.00 C ATOM 424 CG2 VAL A 29 1.804 4.605 7.471 1.00 0.00 C ATOM 0 H VAL A 29 -0.600 6.058 6.692 1.00 0.00 H new ATOM 0 HA VAL A 29 0.252 3.526 5.742 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.100 4.809 8.466 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.062 2.866 9.447 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.507 2.391 8.757 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.997 2.030 7.878 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.381 4.718 8.389 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.301 3.890 6.816 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.732 5.569 6.967 1.00 0.00 H new ATOM 434 N GLU A 30 -2.750 3.560 6.901 1.00 0.00 N ATOM 435 CA GLU A 30 -3.945 2.703 7.131 1.00 0.00 C ATOM 436 C GLU A 30 -4.702 2.465 5.817 1.00 0.00 C ATOM 437 O GLU A 30 -5.446 1.512 5.694 1.00 0.00 O ATOM 438 CB GLU A 30 -4.877 3.383 8.138 1.00 0.00 C ATOM 439 CG GLU A 30 -5.062 4.852 7.755 1.00 0.00 C ATOM 440 CD GLU A 30 -6.257 5.431 8.515 1.00 0.00 C ATOM 441 OE1 GLU A 30 -7.335 4.872 8.399 1.00 0.00 O ATOM 442 OE2 GLU A 30 -6.073 6.424 9.200 1.00 0.00 O ATOM 0 H GLU A 30 -2.930 4.564 6.891 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.613 1.742 7.523 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.842 2.877 8.155 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.460 3.308 9.142 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.160 5.417 7.990 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.223 4.941 6.681 1.00 0.00 H new ATOM 449 N HIS A 31 -4.535 3.318 4.837 1.00 0.00 N ATOM 450 CA HIS A 31 -5.269 3.117 3.546 1.00 0.00 C ATOM 451 C HIS A 31 -4.383 2.392 2.538 1.00 0.00 C ATOM 452 O HIS A 31 -4.848 1.955 1.504 1.00 0.00 O ATOM 453 CB HIS A 31 -5.702 4.471 2.972 1.00 0.00 C ATOM 454 CG HIS A 31 -6.663 5.133 3.926 1.00 0.00 C ATOM 455 ND1 HIS A 31 -6.852 6.512 3.975 1.00 0.00 N ATOM 456 CD2 HIS A 31 -7.505 4.609 4.877 1.00 0.00 C ATOM 457 CE1 HIS A 31 -7.775 6.757 4.924 1.00 0.00 C ATOM 458 NE2 HIS A 31 -8.204 5.634 5.502 1.00 0.00 N ATOM 0 H HIS A 31 -3.929 4.138 4.872 1.00 0.00 H new ATOM 0 HA HIS A 31 -6.153 2.509 3.741 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -4.831 5.108 2.815 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -6.175 4.332 2.000 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -7.608 3.558 5.104 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -8.126 7.744 5.186 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -8.898 5.546 6.245 1.00 0.00 H new ATOM 466 N PHE A 32 -3.124 2.220 2.828 1.00 0.00 N ATOM 467 CA PHE A 32 -2.266 1.478 1.868 1.00 0.00 C ATOM 468 C PHE A 32 -2.528 0.001 2.093 1.00 0.00 C ATOM 469 O PHE A 32 -2.136 -0.565 3.094 1.00 0.00 O ATOM 470 CB PHE A 32 -0.785 1.785 2.089 1.00 0.00 C ATOM 471 CG PHE A 32 -0.008 1.279 0.893 1.00 0.00 C ATOM 472 CD1 PHE A 32 -0.275 1.792 -0.384 1.00 0.00 C ATOM 473 CD2 PHE A 32 0.963 0.283 1.054 1.00 0.00 C ATOM 474 CE1 PHE A 32 0.427 1.314 -1.493 1.00 0.00 C ATOM 475 CE2 PHE A 32 1.663 -0.197 -0.059 1.00 0.00 C ATOM 476 CZ PHE A 32 1.395 0.319 -1.332 1.00 0.00 C ATOM 0 H PHE A 32 -2.660 2.555 3.672 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.504 1.776 0.847 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.634 2.857 2.213 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.431 1.306 3.002 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.025 2.559 -0.511 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.172 -0.115 2.036 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.222 1.713 -2.475 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.411 -0.966 0.065 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.936 -0.052 -2.190 1.00 0.00 H new ATOM 486 N VAL A 33 -3.239 -0.614 1.197 1.00 0.00 N ATOM 487 CA VAL A 33 -3.591 -2.044 1.379 1.00 0.00 C ATOM 488 C VAL A 33 -3.338 -2.837 0.106 1.00 0.00 C ATOM 489 O VAL A 33 -3.004 -2.305 -0.934 1.00 0.00 O ATOM 490 CB VAL A 33 -5.082 -2.140 1.697 1.00 0.00 C ATOM 491 CG1 VAL A 33 -5.420 -1.324 2.954 1.00 0.00 C ATOM 492 CG2 VAL A 33 -5.878 -1.598 0.503 1.00 0.00 C ATOM 0 H VAL A 33 -3.594 -0.186 0.342 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.978 -2.450 2.184 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.343 -3.182 1.882 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.486 -1.405 3.164 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.853 -1.709 3.801 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.161 -0.278 2.789 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.945 -1.661 0.718 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.605 -0.558 0.325 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.651 -2.189 -0.384 1.00 0.00 H new ATOM 502 N CYS A 34 -3.536 -4.117 0.196 1.00 0.00 N ATOM 503 CA CYS A 34 -3.361 -5.000 -0.981 1.00 0.00 C ATOM 504 C CYS A 34 -4.368 -4.602 -2.058 1.00 0.00 C ATOM 505 O CYS A 34 -5.449 -4.131 -1.766 1.00 0.00 O ATOM 506 CB CYS A 34 -3.612 -6.437 -0.541 1.00 0.00 C ATOM 507 SG CYS A 34 -4.020 -7.470 -1.970 1.00 0.00 S ATOM 0 H CYS A 34 -3.817 -4.597 1.051 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.353 -4.907 -1.385 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.728 -6.831 -0.040 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.427 -6.466 0.182 1.00 0.00 H new ATOM 512 N ALA A 35 -4.022 -4.777 -3.301 1.00 0.00 N ATOM 513 CA ALA A 35 -4.955 -4.397 -4.393 1.00 0.00 C ATOM 514 C ALA A 35 -5.830 -5.598 -4.779 1.00 0.00 C ATOM 515 O ALA A 35 -6.333 -5.677 -5.882 1.00 0.00 O ATOM 516 CB ALA A 35 -4.135 -3.942 -5.595 1.00 0.00 C ATOM 0 H ALA A 35 -3.131 -5.168 -3.608 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.606 -3.589 -4.060 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.805 -3.659 -6.407 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.523 -3.085 -5.314 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.490 -4.756 -5.925 1.00 0.00 H new ATOM 522 N LYS A 36 -6.019 -6.530 -3.877 1.00 0.00 N ATOM 523 CA LYS A 36 -6.869 -7.725 -4.191 1.00 0.00 C ATOM 524 C LYS A 36 -7.834 -7.998 -3.033 1.00 0.00 C ATOM 525 O LYS A 36 -8.934 -8.473 -3.233 1.00 0.00 O ATOM 526 CB LYS A 36 -5.981 -8.963 -4.396 1.00 0.00 C ATOM 527 CG LYS A 36 -6.842 -10.228 -4.539 1.00 0.00 C ATOM 528 CD LYS A 36 -7.869 -10.064 -5.668 1.00 0.00 C ATOM 529 CE LYS A 36 -7.159 -9.720 -6.982 1.00 0.00 C ATOM 530 NZ LYS A 36 -8.067 -10.013 -8.126 1.00 0.00 N ATOM 0 H LYS A 36 -5.623 -6.517 -2.937 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.432 -7.521 -5.102 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.366 -8.833 -5.286 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.301 -9.073 -3.552 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.203 -11.087 -4.745 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.357 -10.431 -3.600 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.442 -10.984 -5.785 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.579 -9.277 -5.413 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.874 -8.668 -6.990 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.241 -10.300 -7.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.587 -9.780 -9.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.318 -11.022 -8.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.931 -9.441 -8.038 1.00 0.00 H new ATOM 544 N CYS A 37 -7.421 -7.730 -1.823 1.00 0.00 N ATOM 545 CA CYS A 37 -8.304 -8.004 -0.647 1.00 0.00 C ATOM 546 C CYS A 37 -8.467 -6.741 0.200 1.00 0.00 C ATOM 547 O CYS A 37 -9.391 -6.625 0.978 1.00 0.00 O ATOM 548 CB CYS A 37 -7.658 -9.095 0.201 1.00 0.00 C ATOM 549 SG CYS A 37 -6.067 -8.497 0.806 1.00 0.00 S ATOM 0 H CYS A 37 -6.509 -7.333 -1.596 1.00 0.00 H new ATOM 0 HA CYS A 37 -9.286 -8.322 -0.997 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -8.306 -9.356 1.038 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -7.521 -10.001 -0.390 1.00 0.00 H new ATOM 554 N GLU A 38 -7.578 -5.797 0.058 1.00 0.00 N ATOM 555 CA GLU A 38 -7.674 -4.543 0.848 1.00 0.00 C ATOM 556 C GLU A 38 -7.221 -4.783 2.288 1.00 0.00 C ATOM 557 O GLU A 38 -7.853 -4.340 3.225 1.00 0.00 O ATOM 558 CB GLU A 38 -9.113 -4.007 0.837 1.00 0.00 C ATOM 559 CG GLU A 38 -9.727 -4.184 -0.560 1.00 0.00 C ATOM 560 CD GLU A 38 -10.706 -3.041 -0.840 1.00 0.00 C ATOM 561 OE1 GLU A 38 -11.189 -2.452 0.113 1.00 0.00 O ATOM 562 OE2 GLU A 38 -10.955 -2.774 -2.005 1.00 0.00 O ATOM 0 H GLU A 38 -6.782 -5.844 -0.579 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.019 -3.802 0.390 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.713 -4.536 1.577 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.120 -2.953 1.116 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.941 -4.196 -1.315 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.243 -5.142 -0.623 1.00 0.00 H new ATOM 569 N LYS A 39 -6.109 -5.448 2.469 1.00 0.00 N ATOM 570 CA LYS A 39 -5.589 -5.675 3.848 1.00 0.00 C ATOM 571 C LYS A 39 -4.465 -4.651 4.092 1.00 0.00 C ATOM 572 O LYS A 39 -3.426 -4.734 3.467 1.00 0.00 O ATOM 573 CB LYS A 39 -5.028 -7.100 3.967 1.00 0.00 C ATOM 574 CG LYS A 39 -5.446 -7.723 5.311 1.00 0.00 C ATOM 575 CD LYS A 39 -6.634 -8.666 5.101 1.00 0.00 C ATOM 576 CE LYS A 39 -7.033 -9.292 6.438 1.00 0.00 C ATOM 577 NZ LYS A 39 -5.842 -9.940 7.057 1.00 0.00 N ATOM 0 H LYS A 39 -5.540 -5.843 1.721 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.385 -5.557 4.583 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.394 -7.713 3.144 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.941 -7.079 3.890 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.609 -8.270 5.744 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.714 -6.938 6.018 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.476 -8.118 4.678 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.371 -9.446 4.387 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.433 -8.528 7.105 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.823 -10.027 6.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.154 -10.637 7.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.286 -10.419 6.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.255 -9.217 7.519 1.00 0.00 H new ATOM 591 N PRO A 40 -4.707 -3.689 4.954 1.00 0.00 N ATOM 592 CA PRO A 40 -3.721 -2.627 5.228 1.00 0.00 C ATOM 593 C PRO A 40 -2.497 -3.157 5.961 1.00 0.00 C ATOM 594 O PRO A 40 -2.590 -3.929 6.895 1.00 0.00 O ATOM 595 CB PRO A 40 -4.460 -1.623 6.117 1.00 0.00 C ATOM 596 CG PRO A 40 -5.816 -2.251 6.502 1.00 0.00 C ATOM 597 CD PRO A 40 -5.961 -3.571 5.723 1.00 0.00 C ATOM 0 HA PRO A 40 -3.353 -2.190 4.300 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.875 -1.398 7.009 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.610 -0.682 5.589 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.861 -2.434 7.576 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.634 -1.572 6.260 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.093 -4.417 6.398 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.829 -3.549 5.064 1.00 0.00 H new ATOM 605 N PHE A 41 -1.348 -2.703 5.556 1.00 0.00 N ATOM 606 CA PHE A 41 -0.089 -3.128 6.239 1.00 0.00 C ATOM 607 C PHE A 41 0.290 -2.075 7.280 1.00 0.00 C ATOM 608 O PHE A 41 1.363 -1.506 7.235 1.00 0.00 O ATOM 609 CB PHE A 41 1.056 -3.262 5.233 1.00 0.00 C ATOM 610 CG PHE A 41 0.519 -3.702 3.899 1.00 0.00 C ATOM 611 CD1 PHE A 41 -0.061 -2.770 3.035 1.00 0.00 C ATOM 612 CD2 PHE A 41 0.617 -5.043 3.521 1.00 0.00 C ATOM 613 CE1 PHE A 41 -0.545 -3.181 1.787 1.00 0.00 C ATOM 614 CE2 PHE A 41 0.132 -5.455 2.280 1.00 0.00 C ATOM 615 CZ PHE A 41 -0.448 -4.526 1.410 1.00 0.00 C ATOM 0 H PHE A 41 -1.221 -2.054 4.780 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.257 -4.095 6.712 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.574 -2.308 5.129 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.788 -3.984 5.596 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.136 -1.734 3.329 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.068 -5.761 4.190 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.992 -2.462 1.117 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.204 -6.493 1.990 1.00 0.00 H new ATOM 0 HZ PHE A 41 -0.821 -4.846 0.448 1.00 0.00 H new ATOM 625 N LEU A 42 -0.579 -1.803 8.212 1.00 0.00 N ATOM 626 CA LEU A 42 -0.262 -0.778 9.251 1.00 0.00 C ATOM 627 C LEU A 42 1.205 -0.909 9.657 1.00 0.00 C ATOM 628 O LEU A 42 1.970 0.033 9.584 1.00 0.00 O ATOM 629 CB LEU A 42 -1.150 -1.014 10.476 1.00 0.00 C ATOM 630 CG LEU A 42 -2.476 -0.268 10.297 1.00 0.00 C ATOM 631 CD1 LEU A 42 -3.146 -0.757 9.026 1.00 0.00 C ATOM 632 CD2 LEU A 42 -3.397 -0.540 11.487 1.00 0.00 C ATOM 0 H LEU A 42 -1.494 -2.244 8.302 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.443 0.220 8.852 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.335 -2.081 10.604 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.644 -0.667 11.377 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.283 0.803 10.234 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.092 -0.233 8.888 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.495 -0.562 8.174 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.333 -1.828 9.102 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.337 -0.005 11.350 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.595 -1.610 11.557 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.916 -0.200 12.404 1.00 0.00 H new ATOM 644 N GLY A 43 1.601 -2.077 10.074 1.00 0.00 N ATOM 645 CA GLY A 43 3.020 -2.296 10.479 1.00 0.00 C ATOM 646 C GLY A 43 3.526 -3.599 9.860 1.00 0.00 C ATOM 647 O GLY A 43 4.379 -4.267 10.408 1.00 0.00 O ATOM 0 H GLY A 43 1.000 -2.897 10.153 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.637 -1.460 10.150 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.097 -2.342 11.565 1.00 0.00 H new ATOM 651 N HIS A 44 2.998 -3.967 8.722 1.00 0.00 N ATOM 652 CA HIS A 44 3.438 -5.235 8.060 1.00 0.00 C ATOM 653 C HIS A 44 4.132 -4.918 6.732 1.00 0.00 C ATOM 654 O HIS A 44 4.300 -3.772 6.362 1.00 0.00 O ATOM 655 CB HIS A 44 2.216 -6.122 7.793 1.00 0.00 C ATOM 656 CG HIS A 44 1.878 -6.909 9.030 1.00 0.00 C ATOM 657 ND1 HIS A 44 1.439 -8.223 8.973 1.00 0.00 N ATOM 658 CD2 HIS A 44 1.908 -6.580 10.362 1.00 0.00 C ATOM 659 CE1 HIS A 44 1.225 -8.633 10.237 1.00 0.00 C ATOM 660 NE2 HIS A 44 1.496 -7.671 11.123 1.00 0.00 N ATOM 0 H HIS A 44 2.280 -3.445 8.220 1.00 0.00 H new ATOM 0 HA HIS A 44 4.136 -5.756 8.715 1.00 0.00 H new ATOM 0 HB2 HIS A 44 1.366 -5.507 7.499 1.00 0.00 H new ATOM 0 HB3 HIS A 44 2.421 -6.800 6.964 1.00 0.00 H new ATOM 0 HD2 HIS A 44 2.206 -5.621 10.760 1.00 0.00 H new ATOM 0 HE1 HIS A 44 0.876 -9.620 10.503 1.00 0.00 H new ATOM 0 HE2 HIS A 44 1.418 -7.724 12.139 1.00 0.00 H new ATOM 668 N ARG A 45 4.533 -5.933 6.014 1.00 0.00 N ATOM 669 CA ARG A 45 5.217 -5.715 4.705 1.00 0.00 C ATOM 670 C ARG A 45 4.197 -5.845 3.572 1.00 0.00 C ATOM 671 O ARG A 45 3.281 -6.641 3.642 1.00 0.00 O ATOM 672 CB ARG A 45 6.316 -6.774 4.528 1.00 0.00 C ATOM 673 CG ARG A 45 6.733 -6.860 3.055 1.00 0.00 C ATOM 674 CD ARG A 45 8.039 -7.647 2.936 1.00 0.00 C ATOM 675 NE ARG A 45 8.557 -7.541 1.543 1.00 0.00 N ATOM 676 CZ ARG A 45 9.790 -7.875 1.278 1.00 0.00 C ATOM 677 NH1 ARG A 45 10.570 -8.302 2.233 1.00 0.00 N ATOM 678 NH2 ARG A 45 10.244 -7.782 0.058 1.00 0.00 N ATOM 0 H ARG A 45 4.415 -6.911 6.280 1.00 0.00 H new ATOM 0 HA ARG A 45 5.660 -4.719 4.682 1.00 0.00 H new ATOM 0 HB2 ARG A 45 7.179 -6.520 5.144 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.955 -7.744 4.869 1.00 0.00 H new ATOM 0 HG2 ARG A 45 5.950 -7.346 2.473 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.861 -5.859 2.644 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.775 -7.259 3.640 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.871 -8.693 3.194 1.00 0.00 H new ATOM 0 HE ARG A 45 7.947 -7.207 0.796 1.00 0.00 H new ATOM 0 HH11 ARG A 45 10.216 -8.375 3.187 1.00 0.00 H new ATOM 0 HH12 ARG A 45 11.534 -8.563 2.026 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.635 -7.448 -0.689 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.208 -8.043 -0.149 1.00 0.00 H new ATOM 692 N HIS A 46 4.354 -5.079 2.522 1.00 0.00 N ATOM 693 CA HIS A 46 3.400 -5.171 1.377 1.00 0.00 C ATOM 694 C HIS A 46 4.140 -5.649 0.135 1.00 0.00 C ATOM 695 O HIS A 46 5.350 -5.747 0.113 1.00 0.00 O ATOM 696 CB HIS A 46 2.787 -3.805 1.085 1.00 0.00 C ATOM 697 CG HIS A 46 3.858 -2.752 1.151 1.00 0.00 C ATOM 698 ND1 HIS A 46 4.201 -2.117 2.334 1.00 0.00 N ATOM 699 CD2 HIS A 46 4.672 -2.215 0.186 1.00 0.00 C ATOM 700 CE1 HIS A 46 5.184 -1.242 2.053 1.00 0.00 C ATOM 701 NE2 HIS A 46 5.509 -1.261 0.757 1.00 0.00 N ATOM 0 H HIS A 46 5.102 -4.394 2.409 1.00 0.00 H new ATOM 0 HA HIS A 46 2.610 -5.874 1.640 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.323 -3.806 0.099 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.001 -3.585 1.807 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.664 -2.491 -0.858 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.653 -0.602 2.786 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.218 -0.698 0.287 1.00 0.00 H new ATOM 709 N TYR A 47 3.407 -5.966 -0.891 1.00 0.00 N ATOM 710 CA TYR A 47 4.029 -6.466 -2.142 1.00 0.00 C ATOM 711 C TYR A 47 3.419 -5.719 -3.335 1.00 0.00 C ATOM 712 O TYR A 47 2.232 -5.470 -3.378 1.00 0.00 O ATOM 713 CB TYR A 47 3.756 -7.964 -2.216 1.00 0.00 C ATOM 714 CG TYR A 47 4.097 -8.565 -0.868 1.00 0.00 C ATOM 715 CD1 TYR A 47 3.290 -8.290 0.248 1.00 0.00 C ATOM 716 CD2 TYR A 47 5.236 -9.362 -0.719 1.00 0.00 C ATOM 717 CE1 TYR A 47 3.623 -8.810 1.500 1.00 0.00 C ATOM 718 CE2 TYR A 47 5.568 -9.877 0.541 1.00 0.00 C ATOM 719 CZ TYR A 47 4.764 -9.601 1.646 1.00 0.00 C ATOM 720 OH TYR A 47 5.102 -10.106 2.886 1.00 0.00 O ATOM 0 H TYR A 47 2.390 -5.899 -0.915 1.00 0.00 H new ATOM 0 HA TYR A 47 5.105 -6.294 -2.160 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.711 -8.150 -2.464 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.356 -8.423 -3.002 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.409 -7.675 0.137 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.859 -9.580 -1.574 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.998 -8.600 2.355 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.450 -10.490 0.657 1.00 0.00 H new ATOM 0 HH TYR A 47 4.408 -9.869 3.536 1.00 0.00 H new ATOM 730 N GLU A 48 4.232 -5.323 -4.284 1.00 0.00 N ATOM 731 CA GLU A 48 3.707 -4.547 -5.453 1.00 0.00 C ATOM 732 C GLU A 48 3.671 -5.402 -6.719 1.00 0.00 C ATOM 733 O GLU A 48 4.500 -6.265 -6.930 1.00 0.00 O ATOM 734 CB GLU A 48 4.618 -3.339 -5.695 1.00 0.00 C ATOM 735 CG GLU A 48 4.207 -2.192 -4.770 1.00 0.00 C ATOM 736 CD GLU A 48 5.193 -1.033 -4.922 1.00 0.00 C ATOM 737 OE1 GLU A 48 5.627 -0.792 -6.037 1.00 0.00 O ATOM 738 OE2 GLU A 48 5.498 -0.406 -3.921 1.00 0.00 O ATOM 0 H GLU A 48 5.236 -5.503 -4.300 1.00 0.00 H new ATOM 0 HA GLU A 48 2.690 -4.228 -5.225 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.657 -3.612 -5.512 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.550 -3.022 -6.736 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.198 -1.859 -5.013 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.189 -2.534 -3.735 1.00 0.00 H new ATOM 745 N ARG A 49 2.714 -5.145 -7.573 1.00 0.00 N ATOM 746 CA ARG A 49 2.615 -5.915 -8.848 1.00 0.00 C ATOM 747 C ARG A 49 1.956 -5.059 -9.933 1.00 0.00 C ATOM 748 O ARG A 49 0.904 -4.482 -9.738 1.00 0.00 O ATOM 749 CB ARG A 49 1.777 -7.174 -8.638 1.00 0.00 C ATOM 750 CG ARG A 49 1.791 -8.024 -9.920 1.00 0.00 C ATOM 751 CD ARG A 49 0.358 -8.266 -10.398 1.00 0.00 C ATOM 752 NE ARG A 49 -0.366 -6.966 -10.495 1.00 0.00 N ATOM 753 CZ ARG A 49 -1.500 -6.898 -11.138 1.00 0.00 C ATOM 754 NH1 ARG A 49 -1.998 -7.967 -11.698 1.00 0.00 N ATOM 755 NH2 ARG A 49 -2.134 -5.761 -11.223 1.00 0.00 N ATOM 0 H ARG A 49 1.995 -4.433 -7.441 1.00 0.00 H new ATOM 0 HA ARG A 49 3.622 -6.191 -9.160 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.173 -7.751 -7.803 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.753 -6.903 -8.381 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.362 -7.517 -10.697 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.286 -8.976 -9.730 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.367 -8.761 -11.369 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.159 -8.930 -9.706 1.00 0.00 H new ATOM 0 HE ARG A 49 0.025 -6.131 -10.059 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.501 -8.855 -11.633 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.884 -7.914 -12.200 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.744 -4.926 -10.787 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.020 -5.707 -11.725 1.00 0.00 H new ATOM 769 N LYS A 50 2.574 -4.982 -11.078 1.00 0.00 N ATOM 770 CA LYS A 50 2.011 -4.180 -12.197 1.00 0.00 C ATOM 771 C LYS A 50 1.693 -2.780 -11.707 1.00 0.00 C ATOM 772 O LYS A 50 0.876 -2.081 -12.272 1.00 0.00 O ATOM 773 CB LYS A 50 0.734 -4.839 -12.724 1.00 0.00 C ATOM 774 CG LYS A 50 1.080 -6.161 -13.416 1.00 0.00 C ATOM 775 CD LYS A 50 -0.089 -6.600 -14.303 1.00 0.00 C ATOM 776 CE LYS A 50 0.347 -7.780 -15.174 1.00 0.00 C ATOM 777 NZ LYS A 50 0.773 -8.910 -14.303 1.00 0.00 N ATOM 0 H LYS A 50 3.457 -5.447 -11.288 1.00 0.00 H new ATOM 0 HA LYS A 50 2.744 -4.128 -13.002 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.041 -5.019 -11.902 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.232 -4.172 -13.425 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.981 -6.043 -14.018 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.292 -6.928 -12.671 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.941 -6.885 -13.686 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.414 -5.771 -14.931 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.475 -8.093 -15.818 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.167 -7.481 -15.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.021 -9.729 -14.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.601 -8.624 -13.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.005 -9.168 -13.663 1.00 0.00 H new ATOM 791 N GLY A 51 2.337 -2.359 -10.663 1.00 0.00 N ATOM 792 CA GLY A 51 2.073 -0.995 -10.145 1.00 0.00 C ATOM 793 C GLY A 51 0.873 -1.030 -9.209 1.00 0.00 C ATOM 794 O GLY A 51 0.133 -0.074 -9.090 1.00 0.00 O ATOM 0 H GLY A 51 3.033 -2.897 -10.147 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.949 -0.620 -9.616 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.883 -0.311 -10.972 1.00 0.00 H new ATOM 798 N LEU A 52 0.681 -2.127 -8.541 1.00 0.00 N ATOM 799 CA LEU A 52 -0.460 -2.244 -7.593 1.00 0.00 C ATOM 800 C LEU A 52 -0.012 -3.051 -6.381 1.00 0.00 C ATOM 801 O LEU A 52 0.764 -3.979 -6.491 1.00 0.00 O ATOM 802 CB LEU A 52 -1.637 -2.948 -8.271 1.00 0.00 C ATOM 803 CG LEU A 52 -2.445 -1.951 -9.101 1.00 0.00 C ATOM 804 CD1 LEU A 52 -3.585 -2.700 -9.793 1.00 0.00 C ATOM 805 CD2 LEU A 52 -3.020 -0.857 -8.186 1.00 0.00 C ATOM 0 H LEU A 52 1.270 -2.957 -8.610 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.778 -1.249 -7.282 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.270 -3.751 -8.911 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.277 -3.408 -7.518 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.803 -1.483 -9.847 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.171 -2.000 -10.389 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.172 -3.473 -10.442 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.226 -3.161 -9.042 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.595 -0.149 -8.783 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.669 -1.312 -7.438 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.204 -0.333 -7.688 1.00 0.00 H new ATOM 817 N ALA A 53 -0.479 -2.692 -5.223 1.00 0.00 N ATOM 818 CA ALA A 53 -0.060 -3.425 -4.000 1.00 0.00 C ATOM 819 C ALA A 53 -0.780 -4.762 -3.898 1.00 0.00 C ATOM 820 O ALA A 53 -1.883 -4.931 -4.379 1.00 0.00 O ATOM 821 CB ALA A 53 -0.405 -2.600 -2.763 1.00 0.00 C ATOM 0 H ALA A 53 -1.132 -1.924 -5.069 1.00 0.00 H new ATOM 0 HA ALA A 53 1.015 -3.595 -4.060 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.097 -3.140 -1.868 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.115 -1.643 -2.807 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.481 -2.427 -2.730 1.00 0.00 H new ATOM 827 N TYR A 54 -0.165 -5.705 -3.247 1.00 0.00 N ATOM 828 CA TYR A 54 -0.802 -7.030 -3.071 1.00 0.00 C ATOM 829 C TYR A 54 -0.241 -7.673 -1.816 1.00 0.00 C ATOM 830 O TYR A 54 0.932 -7.572 -1.540 1.00 0.00 O ATOM 831 CB TYR A 54 -0.493 -7.916 -4.269 1.00 0.00 C ATOM 832 CG TYR A 54 -1.340 -7.485 -5.428 1.00 0.00 C ATOM 833 CD1 TYR A 54 -2.666 -7.915 -5.532 1.00 0.00 C ATOM 834 CD2 TYR A 54 -0.795 -6.650 -6.399 1.00 0.00 C ATOM 835 CE1 TYR A 54 -3.446 -7.498 -6.621 1.00 0.00 C ATOM 836 CE2 TYR A 54 -1.566 -6.238 -7.478 1.00 0.00 C ATOM 837 CZ TYR A 54 -2.893 -6.659 -7.595 1.00 0.00 C ATOM 838 OH TYR A 54 -3.657 -6.249 -8.667 1.00 0.00 O ATOM 0 H TYR A 54 0.760 -5.611 -2.827 1.00 0.00 H new ATOM 0 HA TYR A 54 -1.882 -6.910 -2.986 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.563 -7.844 -4.528 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.691 -8.960 -4.026 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -3.087 -8.564 -4.779 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.230 -6.322 -6.313 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.472 -7.824 -6.708 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.139 -5.590 -8.229 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.356 -5.365 -8.964 1.00 0.00 H new ATOM 848 N CYS A 55 -1.050 -8.331 -1.046 1.00 0.00 N ATOM 849 CA CYS A 55 -0.499 -8.963 0.176 1.00 0.00 C ATOM 850 C CYS A 55 0.619 -9.925 -0.233 1.00 0.00 C ATOM 851 O CYS A 55 0.875 -10.135 -1.401 1.00 0.00 O ATOM 852 CB CYS A 55 -1.581 -9.767 0.898 1.00 0.00 C ATOM 853 SG CYS A 55 -2.825 -8.656 1.582 1.00 0.00 S ATOM 0 H CYS A 55 -2.050 -8.458 -1.203 1.00 0.00 H new ATOM 0 HA CYS A 55 -0.125 -8.183 0.840 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.048 -10.467 0.205 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.133 -10.360 1.696 1.00 0.00 H new ATOM 858 N GLU A 56 1.268 -10.527 0.721 1.00 0.00 N ATOM 859 CA GLU A 56 2.355 -11.498 0.394 1.00 0.00 C ATOM 860 C GLU A 56 1.761 -12.685 -0.368 1.00 0.00 C ATOM 861 O GLU A 56 2.388 -13.260 -1.235 1.00 0.00 O ATOM 862 CB GLU A 56 2.974 -12.028 1.692 1.00 0.00 C ATOM 863 CG GLU A 56 4.228 -12.846 1.369 1.00 0.00 C ATOM 864 CD GLU A 56 5.052 -13.041 2.644 1.00 0.00 C ATOM 865 OE1 GLU A 56 4.490 -12.892 3.717 1.00 0.00 O ATOM 866 OE2 GLU A 56 6.229 -13.338 2.525 1.00 0.00 O ATOM 0 H GLU A 56 1.095 -10.391 1.717 1.00 0.00 H new ATOM 0 HA GLU A 56 3.112 -10.997 -0.210 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.229 -11.198 2.350 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.252 -12.647 2.225 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.947 -13.814 0.953 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.824 -12.335 0.613 1.00 0.00 H new ATOM 873 N THR A 57 0.565 -13.070 -0.020 1.00 0.00 N ATOM 874 CA THR A 57 -0.078 -14.240 -0.683 1.00 0.00 C ATOM 875 C THR A 57 -0.808 -13.825 -1.954 1.00 0.00 C ATOM 876 O THR A 57 -0.718 -14.490 -2.964 1.00 0.00 O ATOM 877 CB THR A 57 -1.073 -14.886 0.285 1.00 0.00 C ATOM 878 OG1 THR A 57 -0.369 -15.416 1.400 1.00 0.00 O ATOM 879 CG2 THR A 57 -1.825 -16.011 -0.427 1.00 0.00 C ATOM 0 H THR A 57 0.000 -12.621 0.701 1.00 0.00 H new ATOM 0 HA THR A 57 0.702 -14.951 -0.954 1.00 0.00 H new ATOM 0 HB THR A 57 -1.786 -14.136 0.627 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.004 -15.829 2.022 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.533 -16.470 0.264 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.364 -15.604 -1.282 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.115 -16.763 -0.771 1.00 0.00 H new ATOM 887 N HIS A 58 -1.534 -12.748 -1.930 1.00 0.00 N ATOM 888 CA HIS A 58 -2.254 -12.344 -3.153 1.00 0.00 C ATOM 889 C HIS A 58 -1.229 -11.953 -4.194 1.00 0.00 C ATOM 890 O HIS A 58 -1.288 -12.380 -5.328 1.00 0.00 O ATOM 891 CB HIS A 58 -3.188 -11.179 -2.837 1.00 0.00 C ATOM 892 CG HIS A 58 -4.229 -11.654 -1.850 1.00 0.00 C ATOM 893 ND1 HIS A 58 -4.677 -10.888 -0.773 1.00 0.00 N ATOM 894 CD2 HIS A 58 -4.918 -12.841 -1.767 1.00 0.00 C ATOM 895 CE1 HIS A 58 -5.587 -11.623 -0.107 1.00 0.00 C ATOM 896 NE2 HIS A 58 -5.771 -12.818 -0.669 1.00 0.00 N ATOM 0 H HIS A 58 -1.657 -12.137 -1.122 1.00 0.00 H new ATOM 0 HA HIS A 58 -2.862 -13.165 -3.534 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.625 -10.344 -2.421 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -3.666 -10.819 -3.748 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -4.812 -13.669 -2.453 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -6.106 -11.285 0.778 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -6.402 -13.557 -0.360 1.00 0.00 H new ATOM 904 N TYR A 59 -0.255 -11.186 -3.813 1.00 0.00 N ATOM 905 CA TYR A 59 0.790 -10.813 -4.774 1.00 0.00 C ATOM 906 C TYR A 59 1.262 -12.077 -5.442 1.00 0.00 C ATOM 907 O TYR A 59 1.252 -12.221 -6.648 1.00 0.00 O ATOM 908 CB TYR A 59 1.960 -10.209 -4.014 1.00 0.00 C ATOM 909 CG TYR A 59 3.141 -10.066 -4.937 1.00 0.00 C ATOM 910 CD1 TYR A 59 2.944 -9.691 -6.268 1.00 0.00 C ATOM 911 CD2 TYR A 59 4.435 -10.313 -4.464 1.00 0.00 C ATOM 912 CE1 TYR A 59 4.033 -9.560 -7.121 1.00 0.00 C ATOM 913 CE2 TYR A 59 5.530 -10.180 -5.322 1.00 0.00 C ATOM 914 CZ TYR A 59 5.330 -9.802 -6.654 1.00 0.00 C ATOM 915 OH TYR A 59 6.408 -9.671 -7.504 1.00 0.00 O ATOM 0 H TYR A 59 -0.143 -10.804 -2.874 1.00 0.00 H new ATOM 0 HA TYR A 59 0.409 -10.098 -5.504 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.681 -9.236 -3.610 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.222 -10.842 -3.167 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.945 -9.503 -6.634 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.587 -10.606 -3.436 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.878 -9.270 -8.150 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.529 -10.369 -4.957 1.00 0.00 H new ATOM 0 HH TYR A 59 6.915 -10.509 -7.521 1.00 0.00 H new ATOM 925 N ASN A 60 1.680 -12.996 -4.639 1.00 0.00 N ATOM 926 CA ASN A 60 2.165 -14.275 -5.180 1.00 0.00 C ATOM 927 C ASN A 60 1.005 -15.007 -5.843 1.00 0.00 C ATOM 928 O ASN A 60 1.126 -15.503 -6.945 1.00 0.00 O ATOM 929 CB ASN A 60 2.752 -15.129 -4.057 1.00 0.00 C ATOM 930 CG ASN A 60 4.151 -14.621 -3.702 1.00 0.00 C ATOM 931 OD1 ASN A 60 5.125 -15.005 -4.318 1.00 0.00 O ATOM 932 ND2 ASN A 60 4.292 -13.765 -2.726 1.00 0.00 N ATOM 0 H ASN A 60 1.707 -12.915 -3.623 1.00 0.00 H new ATOM 0 HA ASN A 60 2.946 -14.087 -5.917 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.106 -15.088 -3.180 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.801 -16.173 -4.368 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.220 -13.419 -2.481 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.474 -13.442 -2.209 1.00 0.00 H new ATOM 939 N GLN A 61 -0.131 -15.066 -5.199 1.00 0.00 N ATOM 940 CA GLN A 61 -1.284 -15.753 -5.846 1.00 0.00 C ATOM 941 C GLN A 61 -1.488 -15.097 -7.201 1.00 0.00 C ATOM 942 O GLN A 61 -1.865 -15.721 -8.173 1.00 0.00 O ATOM 943 CB GLN A 61 -2.553 -15.591 -5.002 1.00 0.00 C ATOM 944 CG GLN A 61 -3.560 -16.681 -5.379 1.00 0.00 C ATOM 945 CD GLN A 61 -3.088 -18.027 -4.827 1.00 0.00 C ATOM 946 OE1 GLN A 61 -3.165 -19.034 -5.502 1.00 0.00 O ATOM 947 NE2 GLN A 61 -2.598 -18.087 -3.620 1.00 0.00 N ATOM 0 H GLN A 61 -0.308 -14.677 -4.273 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.083 -16.820 -5.945 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.308 -15.658 -3.942 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -2.989 -14.606 -5.167 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -4.543 -16.436 -4.978 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -3.663 -16.737 -6.463 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -2.533 -17.241 -3.053 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -2.279 -18.979 -3.243 1.00 0.00 H new ATOM 956 N LEU A 62 -1.213 -13.828 -7.258 1.00 0.00 N ATOM 957 CA LEU A 62 -1.352 -13.077 -8.530 1.00 0.00 C ATOM 958 C LEU A 62 -0.142 -13.367 -9.418 1.00 0.00 C ATOM 959 O LEU A 62 -0.246 -13.433 -10.627 1.00 0.00 O ATOM 960 CB LEU A 62 -1.404 -11.573 -8.222 1.00 0.00 C ATOM 961 CG LEU A 62 -2.859 -11.110 -8.012 1.00 0.00 C ATOM 962 CD1 LEU A 62 -3.197 -11.057 -6.520 1.00 0.00 C ATOM 963 CD2 LEU A 62 -3.034 -9.715 -8.603 1.00 0.00 C ATOM 0 H LEU A 62 -0.893 -13.272 -6.465 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.265 -13.381 -9.042 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.817 -11.359 -7.329 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.954 -11.013 -9.042 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.524 -11.819 -8.505 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.228 -10.728 -6.392 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.076 -12.049 -6.084 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.528 -10.357 -6.020 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.062 -9.384 -8.456 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.355 -9.022 -8.106 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.810 -9.741 -9.669 1.00 0.00 H new ATOM 975 N PHE A 63 1.007 -13.530 -8.826 1.00 0.00 N ATOM 976 CA PHE A 63 2.231 -13.801 -9.634 1.00 0.00 C ATOM 977 C PHE A 63 3.297 -14.464 -8.762 1.00 0.00 C ATOM 978 O PHE A 63 3.483 -15.665 -8.790 1.00 0.00 O ATOM 979 CB PHE A 63 2.777 -12.475 -10.175 1.00 0.00 C ATOM 980 CG PHE A 63 2.103 -12.149 -11.485 1.00 0.00 C ATOM 981 CD1 PHE A 63 2.598 -12.680 -12.681 1.00 0.00 C ATOM 982 CD2 PHE A 63 0.980 -11.320 -11.497 1.00 0.00 C ATOM 983 CE1 PHE A 63 1.966 -12.378 -13.894 1.00 0.00 C ATOM 984 CE2 PHE A 63 0.346 -11.018 -12.709 1.00 0.00 C ATOM 985 CZ PHE A 63 0.840 -11.547 -13.908 1.00 0.00 C ATOM 0 H PHE A 63 1.153 -13.488 -7.817 1.00 0.00 H new ATOM 0 HA PHE A 63 1.978 -14.467 -10.459 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.601 -11.676 -9.455 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.856 -12.544 -10.316 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.466 -13.322 -12.669 1.00 0.00 H new ATOM 0 HD2 PHE A 63 0.600 -10.912 -10.572 1.00 0.00 H new ATOM 0 HE1 PHE A 63 2.348 -12.786 -14.818 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -0.523 -10.377 -12.719 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.352 -11.314 -14.843 1.00 0.00 H new ATOM 995 N GLY A 64 3.999 -13.684 -7.998 1.00 0.00 N ATOM 996 CA GLY A 64 5.068 -14.249 -7.124 1.00 0.00 C ATOM 997 C GLY A 64 6.357 -14.403 -7.929 1.00 0.00 C ATOM 998 O GLY A 64 7.408 -14.686 -7.390 1.00 0.00 O ATOM 0 H GLY A 64 3.881 -12.673 -7.937 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.237 -13.594 -6.269 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.756 -15.216 -6.729 1.00 0.00 H new ATOM 1002 N ASP A 65 6.278 -14.217 -9.217 1.00 0.00 N ATOM 1003 CA ASP A 65 7.489 -14.349 -10.079 1.00 0.00 C ATOM 1004 C ASP A 65 8.319 -15.556 -9.630 1.00 0.00 C ATOM 1005 O ASP A 65 9.521 -15.473 -9.479 1.00 0.00 O ATOM 1006 CB ASP A 65 8.334 -13.076 -9.974 1.00 0.00 C ATOM 1007 CG ASP A 65 8.944 -12.975 -8.574 1.00 0.00 C ATOM 1008 OD1 ASP A 65 8.274 -12.461 -7.694 1.00 0.00 O ATOM 1009 OD2 ASP A 65 10.070 -13.415 -8.406 1.00 0.00 O ATOM 0 H ASP A 65 5.420 -13.977 -9.715 1.00 0.00 H new ATOM 0 HA ASP A 65 7.178 -14.494 -11.114 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.124 -13.089 -10.725 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.717 -12.201 -10.176 1.00 0.00 H new ATOM 1014 N VAL A 66 7.685 -16.676 -9.415 1.00 0.00 N ATOM 1015 CA VAL A 66 8.436 -17.886 -8.976 1.00 0.00 C ATOM 1016 C VAL A 66 9.150 -18.506 -10.178 1.00 0.00 C ATOM 1017 O VAL A 66 8.639 -18.376 -11.278 1.00 0.00 O ATOM 1018 CB VAL A 66 7.462 -18.903 -8.380 1.00 0.00 C ATOM 1019 CG1 VAL A 66 6.381 -19.238 -9.408 1.00 0.00 C ATOM 1020 CG2 VAL A 66 8.223 -20.177 -8.007 1.00 0.00 C ATOM 1021 OXT VAL A 66 10.196 -19.103 -9.977 1.00 0.00 O ATOM 0 H VAL A 66 6.679 -16.806 -9.524 1.00 0.00 H new ATOM 0 HA VAL A 66 9.171 -17.604 -8.222 1.00 0.00 H new ATOM 0 HB VAL A 66 6.997 -18.482 -7.489 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.687 -19.963 -8.983 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.839 -18.331 -9.675 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.845 -19.660 -10.300 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.530 -20.903 -7.582 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.688 -20.598 -8.899 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.994 -19.939 -7.274 1.00 0.00 H new TER 1031 VAL A 66 HETATM 1032 ZN ZN A 67 -5.934 7.905 2.865 1.00 0.00 ZN HETATM 1033 ZN ZN A 68 -4.118 -9.028 -0.284 1.00 0.00 ZN