USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 478 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 35 HIS HD1 : A 35 HIS ND1 : A 81 ZNZN :(H bumps) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN :FLIP amide:sc= -0.89 F(o=-1.4,f=-0.89) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ -132:sc= 0.0222 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0507) USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 32:sc= 1.18 USER MOD Single : A 22 SER OG : rot 32:sc= -0.926! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -127:sc= -8.51! (180deg=-9.28!) USER MOD Single : A 25 MET CE :methyl -149:sc= -4.05! (180deg=-8.05!) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 29 LYS NZ :NH3+ -136:sc= -0.528 (180deg=-4.67!) USER MOD Single : A 36 SER OG : rot -70:sc= 0.405 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 171:sc= -7.52! (180deg=-7.66!) USER MOD Single : A 46 TYR OH : rot 101:sc= 0.371 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -1.39 K(o=-1.4,f=-2.5) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 37:sc= -4.39! USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN :FLIP amide:sc= -0.0401 F(o=-0.54,f=-0.04) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0034 USER MOD Single : A 67 HIS :FLIP no HD1:sc= -0.551 F(o=-2.5,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 0.311 16.009 13.518 1.00 0.00 N ATOM 2 CA GLY A -2 -0.609 14.937 13.047 1.00 0.00 C ATOM 3 C GLY A -2 -0.504 14.696 11.554 1.00 0.00 C ATOM 4 O GLY A -2 0.550 14.912 10.955 1.00 0.00 O ATOM 0 H1 GLY A -2 0.828 15.679 14.358 1.00 0.00 H new ATOM 0 H2 GLY A -2 0.988 16.241 12.764 1.00 0.00 H new ATOM 0 H3 GLY A -2 -0.240 16.857 13.762 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -0.385 14.012 13.578 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -1.635 15.208 13.297 1.00 0.00 H new ATOM 10 N SER A -1 -1.601 14.250 10.952 1.00 0.00 N ATOM 11 CA SER A -1 -1.633 13.982 9.518 1.00 0.00 C ATOM 12 C SER A -1 -0.596 12.934 9.130 1.00 0.00 C ATOM 13 O SER A -1 0.554 13.261 8.832 1.00 0.00 O ATOM 14 CB SER A -1 -1.386 15.268 8.730 1.00 0.00 C ATOM 15 OG SER A -1 -2.567 16.047 8.616 1.00 0.00 O ATOM 0 H SER A -1 -2.481 14.066 11.435 1.00 0.00 H new ATOM 0 HA SER A -1 -2.622 13.595 9.274 1.00 0.00 H new ATOM 0 HB2 SER A -1 -0.610 15.853 9.222 1.00 0.00 H new ATOM 0 HB3 SER A -1 -1.016 15.020 7.735 1.00 0.00 H new ATOM 0 HG SER A -1 -2.373 16.862 8.108 1.00 0.00 H new ATOM 21 N ALA A 3 -1.016 11.675 9.135 1.00 0.00 N ATOM 22 CA ALA A 3 -0.137 10.565 8.782 1.00 0.00 C ATOM 23 C ALA A 3 -0.889 9.492 7.994 1.00 0.00 C ATOM 24 O ALA A 3 -0.306 8.796 7.163 1.00 0.00 O ATOM 25 CB ALA A 3 0.484 9.963 10.032 1.00 0.00 C ATOM 0 H ALA A 3 -1.966 11.395 9.381 1.00 0.00 H new ATOM 0 HA ALA A 3 0.657 10.956 8.146 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.137 9.136 9.752 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.065 10.724 10.552 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -0.304 9.596 10.689 1.00 0.00 H new ATOM 31 N LYS A 4 -2.184 9.363 8.266 1.00 0.00 N ATOM 32 CA LYS A 4 -3.019 8.377 7.591 1.00 0.00 C ATOM 33 C LYS A 4 -3.043 8.609 6.083 1.00 0.00 C ATOM 34 O LYS A 4 -2.482 9.585 5.586 1.00 0.00 O ATOM 35 CB LYS A 4 -4.441 8.432 8.149 1.00 0.00 C ATOM 36 CG LYS A 4 -4.674 7.455 9.289 1.00 0.00 C ATOM 37 CD LYS A 4 -5.156 8.160 10.548 1.00 0.00 C ATOM 38 CE LYS A 4 -4.748 7.400 11.802 1.00 0.00 C ATOM 39 NZ LYS A 4 -4.887 8.230 13.032 1.00 0.00 N ATOM 0 H LYS A 4 -2.679 9.932 8.953 1.00 0.00 H new ATOM 0 HA LYS A 4 -2.593 7.390 7.774 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -4.649 9.444 8.498 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -5.148 8.220 7.347 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -5.410 6.711 8.985 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -3.749 6.920 9.504 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.744 9.169 10.582 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -6.241 8.260 10.518 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -5.362 6.505 11.898 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -3.714 7.069 11.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -4.598 7.673 13.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -4.282 9.072 12.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -5.878 8.525 13.141 1.00 0.00 H new ATOM 53 N GLY A 5 -3.697 7.702 5.361 1.00 0.00 N ATOM 54 CA GLY A 5 -3.786 7.817 3.918 1.00 0.00 C ATOM 55 C GLY A 5 -3.706 6.467 3.230 1.00 0.00 C ATOM 56 O GLY A 5 -2.639 6.057 2.774 1.00 0.00 O ATOM 0 H GLY A 5 -4.168 6.887 5.753 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.724 8.304 3.651 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -2.981 8.456 3.556 1.00 0.00 H new ATOM 60 N ASN A 6 -4.839 5.774 3.162 1.00 0.00 N ATOM 61 CA ASN A 6 -4.898 4.460 2.530 1.00 0.00 C ATOM 62 C ASN A 6 -4.841 4.587 1.015 1.00 0.00 C ATOM 63 O ASN A 6 -5.794 5.045 0.387 1.00 0.00 O ATOM 64 CB ASN A 6 -6.178 3.727 2.942 1.00 0.00 C ATOM 65 CG ASN A 6 -6.372 3.708 4.445 1.00 0.00 C ATOM 66 OD1 ASN A 6 -6.941 4.782 4.981 1.00 0.00 O flip ATOM 67 ND2 ASN A 6 -6.020 2.738 5.116 1.00 0.00 N flip ATOM 0 H ASN A 6 -5.729 6.101 3.537 1.00 0.00 H new ATOM 0 HA ASN A 6 -4.035 3.885 2.864 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -7.036 4.208 2.473 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -6.144 2.703 2.569 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -5.587 1.934 4.662 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -6.162 2.738 6.126 1.00 0.00 H new ATOM 74 N PHE A 7 -3.721 4.180 0.430 1.00 0.00 N ATOM 75 CA PHE A 7 -3.558 4.258 -1.015 1.00 0.00 C ATOM 76 C PHE A 7 -2.427 3.355 -1.506 1.00 0.00 C ATOM 77 O PHE A 7 -1.257 3.585 -1.202 1.00 0.00 O ATOM 78 CB PHE A 7 -3.296 5.709 -1.440 1.00 0.00 C ATOM 79 CG PHE A 7 -4.376 6.303 -2.309 1.00 0.00 C ATOM 80 CD1 PHE A 7 -5.524 6.840 -1.746 1.00 0.00 C ATOM 81 CD2 PHE A 7 -4.236 6.330 -3.689 1.00 0.00 C ATOM 82 CE1 PHE A 7 -6.511 7.389 -2.543 1.00 0.00 C ATOM 83 CE2 PHE A 7 -5.222 6.879 -4.491 1.00 0.00 C ATOM 84 CZ PHE A 7 -6.361 7.408 -3.916 1.00 0.00 C ATOM 0 H PHE A 7 -2.919 3.796 0.929 1.00 0.00 H new ATOM 0 HA PHE A 7 -4.484 3.909 -1.472 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -3.185 6.323 -0.546 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -2.348 5.753 -1.976 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -5.648 6.829 -0.673 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -3.347 5.918 -4.143 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -7.400 7.804 -2.092 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.101 6.894 -5.564 1.00 0.00 H new ATOM 0 HZ PHE A 7 -7.133 7.836 -4.539 1.00 0.00 H new ATOM 94 N CYS A 8 -2.794 2.326 -2.269 1.00 0.00 N ATOM 95 CA CYS A 8 -1.839 1.382 -2.817 1.00 0.00 C ATOM 96 C CYS A 8 -0.759 2.110 -3.635 1.00 0.00 C ATOM 97 O CYS A 8 -0.893 3.290 -3.957 1.00 0.00 O ATOM 98 CB CYS A 8 -2.597 0.296 -3.619 1.00 0.00 C ATOM 99 SG CYS A 8 -2.121 0.079 -5.346 1.00 0.00 S ATOM 0 H CYS A 8 -3.763 2.129 -2.521 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.305 0.876 -2.013 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -2.465 -0.658 -3.108 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -3.661 0.531 -3.587 1.00 0.00 H new ATOM 104 N PRO A 9 0.354 1.417 -3.915 1.00 0.00 N ATOM 105 CA PRO A 9 1.510 1.973 -4.618 1.00 0.00 C ATOM 106 C PRO A 9 1.530 1.724 -6.131 1.00 0.00 C ATOM 107 O PRO A 9 2.452 2.159 -6.821 1.00 0.00 O ATOM 108 CB PRO A 9 2.676 1.245 -3.942 1.00 0.00 C ATOM 109 CG PRO A 9 2.094 0.015 -3.291 1.00 0.00 C ATOM 110 CD PRO A 9 0.605 0.042 -3.508 1.00 0.00 C ATOM 0 HA PRO A 9 1.527 3.061 -4.549 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.439 0.973 -4.672 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.156 1.885 -3.202 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.527 -0.887 -3.723 1.00 0.00 H new ATOM 0 HG3 PRO A 9 2.325 0.001 -2.226 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.297 -0.668 -4.276 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.061 -0.215 -2.599 1.00 0.00 H new ATOM 118 N LEU A 10 0.518 1.040 -6.641 1.00 0.00 N ATOM 119 CA LEU A 10 0.426 0.753 -8.071 1.00 0.00 C ATOM 120 C LEU A 10 -0.734 1.523 -8.695 1.00 0.00 C ATOM 121 O LEU A 10 -0.570 2.233 -9.687 1.00 0.00 O ATOM 122 CB LEU A 10 0.235 -0.753 -8.330 1.00 0.00 C ATOM 123 CG LEU A 10 0.626 -1.695 -7.185 1.00 0.00 C ATOM 124 CD1 LEU A 10 0.591 -3.139 -7.663 1.00 0.00 C ATOM 125 CD2 LEU A 10 2.007 -1.349 -6.655 1.00 0.00 C ATOM 0 H LEU A 10 -0.255 0.671 -6.087 1.00 0.00 H new ATOM 0 HA LEU A 10 1.363 1.069 -8.529 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.813 -0.928 -8.574 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.817 -1.025 -9.211 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.092 -1.573 -6.374 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.870 -3.801 -6.843 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.415 -3.386 -8.002 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.293 -3.267 -8.487 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.266 -2.029 -5.843 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.739 -1.446 -7.457 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.008 -0.324 -6.284 1.00 0.00 H new ATOM 137 N CYS A 11 -1.910 1.356 -8.102 1.00 0.00 N ATOM 138 CA CYS A 11 -3.127 2.004 -8.575 1.00 0.00 C ATOM 139 C CYS A 11 -4.017 2.419 -7.406 1.00 0.00 C ATOM 140 O CYS A 11 -4.231 3.609 -7.167 1.00 0.00 O ATOM 141 CB CYS A 11 -3.894 1.045 -9.485 1.00 0.00 C ATOM 142 SG CYS A 11 -3.959 -0.659 -8.872 1.00 0.00 S ATOM 0 H CYS A 11 -2.047 0.768 -7.280 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.847 2.900 -9.129 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.912 1.415 -9.610 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.431 1.048 -10.472 1.00 0.00 H new ATOM 147 N ASP A 12 -4.527 1.428 -6.677 1.00 0.00 N ATOM 148 CA ASP A 12 -5.387 1.671 -5.531 1.00 0.00 C ATOM 149 C ASP A 12 -6.733 2.247 -5.943 1.00 0.00 C ATOM 150 O ASP A 12 -7.299 3.096 -5.252 1.00 0.00 O ATOM 151 CB ASP A 12 -4.703 2.596 -4.554 1.00 0.00 C ATOM 152 CG ASP A 12 -5.532 2.793 -3.300 1.00 0.00 C ATOM 153 OD1 ASP A 12 -5.901 1.779 -2.669 1.00 0.00 O ATOM 154 OD2 ASP A 12 -5.820 3.958 -2.956 1.00 0.00 O ATOM 0 H ASP A 12 -4.354 0.441 -6.866 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.573 0.710 -5.051 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.728 2.188 -4.286 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.525 3.561 -5.029 1.00 0.00 H new ATOM 159 N LYS A 13 -7.246 1.777 -7.068 1.00 0.00 N ATOM 160 CA LYS A 13 -8.531 2.244 -7.566 1.00 0.00 C ATOM 161 C LYS A 13 -8.472 3.740 -7.875 1.00 0.00 C ATOM 162 O LYS A 13 -7.801 4.503 -7.181 1.00 0.00 O ATOM 163 CB LYS A 13 -9.625 1.965 -6.534 1.00 0.00 C ATOM 164 CG LYS A 13 -10.809 1.184 -7.069 1.00 0.00 C ATOM 165 CD LYS A 13 -10.375 -0.120 -7.707 1.00 0.00 C ATOM 166 CE LYS A 13 -10.660 -0.115 -9.195 1.00 0.00 C ATOM 167 NZ LYS A 13 -12.121 -0.159 -9.484 1.00 0.00 N ATOM 0 H LYS A 13 -6.794 1.074 -7.653 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.764 1.708 -8.486 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.189 1.414 -5.701 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.982 2.915 -6.136 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.506 0.978 -6.257 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.343 1.788 -7.802 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.310 -0.276 -7.537 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.898 -0.952 -7.235 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.229 0.780 -9.644 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.172 -0.972 -9.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -12.270 -0.425 -10.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.576 -0.861 -8.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.538 0.778 -9.310 1.00 0.00 H new ATOM 181 N CYS A 14 -9.183 4.148 -8.917 1.00 0.00 N ATOM 182 CA CYS A 14 -9.220 5.552 -9.327 1.00 0.00 C ATOM 183 C CYS A 14 -9.966 6.396 -8.298 1.00 0.00 C ATOM 184 O CYS A 14 -11.188 6.520 -8.359 1.00 0.00 O ATOM 185 CB CYS A 14 -9.889 5.679 -10.697 1.00 0.00 C ATOM 186 SG CYS A 14 -9.002 6.745 -11.855 1.00 0.00 S ATOM 0 H CYS A 14 -9.745 3.527 -9.498 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.196 5.920 -9.394 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.986 4.686 -11.135 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -10.898 6.068 -10.562 1.00 0.00 H new ATOM 0 HG CYS A 14 -9.644 6.787 -12.985 1.00 0.00 H new ATOM 192 N TYR A 15 -9.221 6.947 -7.337 1.00 0.00 N ATOM 193 CA TYR A 15 -9.788 7.761 -6.261 1.00 0.00 C ATOM 194 C TYR A 15 -10.344 6.857 -5.178 1.00 0.00 C ATOM 195 O TYR A 15 -10.204 7.122 -3.985 1.00 0.00 O ATOM 196 CB TYR A 15 -10.875 8.711 -6.771 1.00 0.00 C ATOM 197 CG TYR A 15 -10.336 9.953 -7.450 1.00 0.00 C ATOM 198 CD1 TYR A 15 -9.556 9.857 -8.595 1.00 0.00 C ATOM 199 CD2 TYR A 15 -10.613 11.219 -6.949 1.00 0.00 C ATOM 200 CE1 TYR A 15 -9.065 10.989 -9.221 1.00 0.00 C ATOM 201 CE2 TYR A 15 -10.127 12.356 -7.568 1.00 0.00 C ATOM 202 CZ TYR A 15 -9.354 12.236 -8.704 1.00 0.00 C ATOM 203 OH TYR A 15 -8.868 13.366 -9.323 1.00 0.00 O ATOM 0 H TYR A 15 -8.208 6.841 -7.283 1.00 0.00 H new ATOM 0 HA TYR A 15 -8.989 8.378 -5.850 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -11.513 8.174 -7.472 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -11.504 9.011 -5.933 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -9.329 8.883 -9.003 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -11.219 11.317 -6.060 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.458 10.897 -10.110 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -10.351 13.332 -7.164 1.00 0.00 H new ATOM 0 HH TYR A 15 -9.164 14.161 -8.832 1.00 0.00 H new ATOM 213 N ASP A 16 -10.957 5.778 -5.625 1.00 0.00 N ATOM 214 CA ASP A 16 -11.538 4.772 -4.746 1.00 0.00 C ATOM 215 C ASP A 16 -12.329 5.386 -3.599 1.00 0.00 C ATOM 216 O ASP A 16 -11.765 5.834 -2.599 1.00 0.00 O ATOM 217 CB ASP A 16 -10.442 3.854 -4.209 1.00 0.00 C ATOM 218 CG ASP A 16 -9.474 4.555 -3.278 1.00 0.00 C ATOM 219 OD1 ASP A 16 -8.596 5.289 -3.778 1.00 0.00 O ATOM 220 OD2 ASP A 16 -9.582 4.358 -2.053 1.00 0.00 O ATOM 0 H ASP A 16 -11.069 5.570 -6.617 1.00 0.00 H new ATOM 0 HA ASP A 16 -12.243 4.190 -5.339 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -10.903 3.020 -3.681 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -9.888 3.433 -5.048 1.00 0.00 H new ATOM 225 N ASP A 17 -13.646 5.381 -3.748 1.00 0.00 N ATOM 226 CA ASP A 17 -14.529 5.915 -2.729 1.00 0.00 C ATOM 227 C ASP A 17 -14.904 4.836 -1.718 1.00 0.00 C ATOM 228 O ASP A 17 -15.581 5.114 -0.731 1.00 0.00 O ATOM 229 CB ASP A 17 -15.796 6.484 -3.368 1.00 0.00 C ATOM 230 CG ASP A 17 -16.512 7.462 -2.457 1.00 0.00 C ATOM 231 OD1 ASP A 17 -15.824 8.222 -1.742 1.00 0.00 O ATOM 232 OD2 ASP A 17 -17.761 7.465 -2.456 1.00 0.00 O ATOM 0 H ASP A 17 -14.125 5.011 -4.569 1.00 0.00 H new ATOM 0 HA ASP A 17 -14.000 6.714 -2.209 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -15.536 6.984 -4.301 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -16.471 5.666 -3.621 1.00 0.00 H new ATOM 237 N ASP A 18 -14.457 3.604 -1.965 1.00 0.00 N ATOM 238 CA ASP A 18 -14.750 2.492 -1.069 1.00 0.00 C ATOM 239 C ASP A 18 -13.473 1.938 -0.444 1.00 0.00 C ATOM 240 O ASP A 18 -13.300 0.726 -0.321 1.00 0.00 O ATOM 241 CB ASP A 18 -15.507 1.381 -1.806 1.00 0.00 C ATOM 242 CG ASP A 18 -16.806 1.874 -2.414 1.00 0.00 C ATOM 243 OD1 ASP A 18 -17.330 2.901 -1.937 1.00 0.00 O ATOM 244 OD2 ASP A 18 -17.299 1.233 -3.367 1.00 0.00 O ATOM 0 H ASP A 18 -13.892 3.354 -2.777 1.00 0.00 H new ATOM 0 HA ASP A 18 -15.385 2.871 -0.269 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.873 0.972 -2.593 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -15.719 0.567 -1.112 1.00 0.00 H new ATOM 249 N ASP A 19 -12.583 2.842 -0.048 1.00 0.00 N ATOM 250 CA ASP A 19 -11.318 2.455 0.571 1.00 0.00 C ATOM 251 C ASP A 19 -11.545 1.778 1.922 1.00 0.00 C ATOM 252 O ASP A 19 -10.650 1.128 2.461 1.00 0.00 O ATOM 253 CB ASP A 19 -10.409 3.670 0.743 1.00 0.00 C ATOM 254 CG ASP A 19 -8.954 3.270 0.888 1.00 0.00 C ATOM 255 OD1 ASP A 19 -8.624 2.585 1.880 1.00 0.00 O ATOM 256 OD2 ASP A 19 -8.148 3.635 0.007 1.00 0.00 O ATOM 0 H ASP A 19 -12.714 3.849 -0.144 1.00 0.00 H new ATOM 0 HA ASP A 19 -10.832 1.740 -0.093 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.520 4.331 -0.116 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.720 4.235 1.622 1.00 0.00 H new ATOM 261 N TYR A 20 -12.755 1.919 2.449 1.00 0.00 N ATOM 262 CA TYR A 20 -13.118 1.310 3.724 1.00 0.00 C ATOM 263 C TYR A 20 -13.207 -0.189 3.556 1.00 0.00 C ATOM 264 O TYR A 20 -12.752 -0.963 4.398 1.00 0.00 O ATOM 265 CB TYR A 20 -14.457 1.858 4.235 1.00 0.00 C ATOM 266 CG TYR A 20 -15.535 1.954 3.174 1.00 0.00 C ATOM 267 CD1 TYR A 20 -15.601 3.049 2.325 1.00 0.00 C ATOM 268 CD2 TYR A 20 -16.485 0.950 3.025 1.00 0.00 C ATOM 269 CE1 TYR A 20 -16.580 3.143 1.359 1.00 0.00 C ATOM 270 CE2 TYR A 20 -17.469 1.036 2.055 1.00 0.00 C ATOM 271 CZ TYR A 20 -17.511 2.139 1.223 1.00 0.00 C ATOM 272 OH TYR A 20 -18.478 2.238 0.247 1.00 0.00 O ATOM 0 H TYR A 20 -13.506 2.453 2.011 1.00 0.00 H new ATOM 0 HA TYR A 20 -12.350 1.555 4.458 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -14.814 1.219 5.043 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -14.293 2.848 4.661 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -14.873 3.841 2.422 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -16.455 0.089 3.676 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -16.616 4.005 0.709 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -18.199 0.247 1.949 1.00 0.00 H new ATOM 0 HH TYR A 20 -18.114 2.716 -0.527 1.00 0.00 H new ATOM 282 N GLU A 21 -13.778 -0.574 2.436 1.00 0.00 N ATOM 283 CA GLU A 21 -13.929 -1.972 2.083 1.00 0.00 C ATOM 284 C GLU A 21 -12.793 -2.400 1.158 1.00 0.00 C ATOM 285 O GLU A 21 -12.691 -3.567 0.777 1.00 0.00 O ATOM 286 CB GLU A 21 -15.277 -2.201 1.399 1.00 0.00 C ATOM 287 CG GLU A 21 -15.724 -3.654 1.401 1.00 0.00 C ATOM 288 CD GLU A 21 -15.886 -4.214 0.001 1.00 0.00 C ATOM 289 OE1 GLU A 21 -15.263 -3.668 -0.934 1.00 0.00 O ATOM 290 OE2 GLU A 21 -16.636 -5.198 -0.160 1.00 0.00 O ATOM 0 H GLU A 21 -14.152 0.073 1.742 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.892 -2.572 2.992 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -16.035 -1.596 1.897 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -15.216 -1.850 0.369 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -14.996 -4.254 1.947 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -16.671 -3.739 1.934 1.00 0.00 H new ATOM 297 N SER A 22 -11.938 -1.442 0.796 1.00 0.00 N ATOM 298 CA SER A 22 -10.813 -1.726 -0.084 1.00 0.00 C ATOM 299 C SER A 22 -9.803 -2.622 0.614 1.00 0.00 C ATOM 300 O SER A 22 -8.971 -2.156 1.393 1.00 0.00 O ATOM 301 CB SER A 22 -10.146 -0.432 -0.535 1.00 0.00 C ATOM 302 OG SER A 22 -10.993 0.286 -1.417 1.00 0.00 O ATOM 0 H SER A 22 -12.006 -0.470 1.098 1.00 0.00 H new ATOM 0 HA SER A 22 -11.191 -2.247 -0.964 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.911 0.184 0.333 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.202 -0.657 -1.032 1.00 0.00 H new ATOM 0 HG SER A 22 -11.929 0.117 -1.181 1.00 0.00 H new ATOM 308 N LYS A 23 -9.895 -3.913 0.332 1.00 0.00 N ATOM 309 CA LYS A 23 -9.008 -4.901 0.928 1.00 0.00 C ATOM 310 C LYS A 23 -7.541 -4.571 0.663 1.00 0.00 C ATOM 311 O LYS A 23 -6.949 -5.069 -0.293 1.00 0.00 O ATOM 312 CB LYS A 23 -9.336 -6.290 0.381 1.00 0.00 C ATOM 313 CG LYS A 23 -8.865 -7.426 1.273 1.00 0.00 C ATOM 314 CD LYS A 23 -9.856 -7.701 2.394 1.00 0.00 C ATOM 315 CE LYS A 23 -9.151 -7.893 3.729 1.00 0.00 C ATOM 316 NZ LYS A 23 -9.571 -9.153 4.403 1.00 0.00 N ATOM 0 H LYS A 23 -10.582 -4.304 -0.313 1.00 0.00 H new ATOM 0 HA LYS A 23 -9.165 -4.885 2.007 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.414 -6.371 0.244 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.880 -6.400 -0.603 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.730 -8.328 0.675 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.893 -7.177 1.698 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.560 -6.873 2.469 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.437 -8.592 2.157 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.073 -7.908 3.571 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.366 -7.045 4.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.068 -9.247 5.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.596 -9.129 4.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.342 -9.965 3.795 1.00 0.00 H new ATOM 330 N MET A 24 -6.958 -3.731 1.514 1.00 0.00 N ATOM 331 CA MET A 24 -5.558 -3.343 1.366 1.00 0.00 C ATOM 332 C MET A 24 -4.731 -3.845 2.544 1.00 0.00 C ATOM 333 O MET A 24 -5.277 -4.220 3.581 1.00 0.00 O ATOM 334 CB MET A 24 -5.436 -1.824 1.247 1.00 0.00 C ATOM 335 CG MET A 24 -6.179 -1.256 0.049 1.00 0.00 C ATOM 336 SD MET A 24 -6.214 0.546 0.034 1.00 0.00 S ATOM 337 CE MET A 24 -4.509 0.906 -0.373 1.00 0.00 C ATOM 0 H MET A 24 -7.432 -3.307 2.311 1.00 0.00 H new ATOM 0 HA MET A 24 -5.173 -3.800 0.454 1.00 0.00 H new ATOM 0 HB2 MET A 24 -5.820 -1.363 2.157 1.00 0.00 H new ATOM 0 HB3 MET A 24 -4.382 -1.555 1.174 1.00 0.00 H new ATOM 0 HG2 MET A 24 -5.708 -1.613 -0.867 1.00 0.00 H new ATOM 0 HG3 MET A 24 -7.201 -1.634 0.049 1.00 0.00 H new ATOM 0 HE1 MET A 24 -4.097 1.595 0.364 1.00 0.00 H new ATOM 0 HE2 MET A 24 -3.931 -0.018 -0.369 1.00 0.00 H new ATOM 0 HE3 MET A 24 -4.459 1.361 -1.362 1.00 0.00 H new ATOM 347 N MET A 25 -3.412 -3.856 2.378 1.00 0.00 N ATOM 348 CA MET A 25 -2.518 -4.317 3.434 1.00 0.00 C ATOM 349 C MET A 25 -1.722 -3.176 4.046 1.00 0.00 C ATOM 350 O MET A 25 -1.425 -2.186 3.387 1.00 0.00 O ATOM 351 CB MET A 25 -1.548 -5.351 2.899 1.00 0.00 C ATOM 352 CG MET A 25 -0.700 -5.987 3.978 1.00 0.00 C ATOM 353 SD MET A 25 -1.666 -6.960 5.143 1.00 0.00 S ATOM 354 CE MET A 25 -1.438 -8.589 4.444 1.00 0.00 C ATOM 0 H MET A 25 -2.940 -3.552 1.526 1.00 0.00 H new ATOM 0 HA MET A 25 -3.149 -4.757 4.206 1.00 0.00 H new ATOM 0 HB2 MET A 25 -2.107 -6.129 2.379 1.00 0.00 H new ATOM 0 HB3 MET A 25 -0.896 -4.881 2.163 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.051 -6.626 3.514 1.00 0.00 H new ATOM 0 HG3 MET A 25 -0.165 -5.207 4.520 1.00 0.00 H new ATOM 0 HE1 MET A 25 -2.322 -9.196 4.640 1.00 0.00 H new ATOM 0 HE2 MET A 25 -1.287 -8.505 3.368 1.00 0.00 H new ATOM 0 HE3 MET A 25 -0.566 -9.061 4.897 1.00 0.00 H new ATOM 364 N GLN A 26 -1.368 -3.344 5.309 1.00 0.00 N ATOM 365 CA GLN A 26 -0.588 -2.348 6.039 1.00 0.00 C ATOM 366 C GLN A 26 0.905 -2.666 5.999 1.00 0.00 C ATOM 367 O GLN A 26 1.356 -3.627 6.623 1.00 0.00 O ATOM 368 CB GLN A 26 -1.063 -2.279 7.487 1.00 0.00 C ATOM 369 CG GLN A 26 -0.647 -1.010 8.210 1.00 0.00 C ATOM 370 CD GLN A 26 -1.253 -0.913 9.594 1.00 0.00 C ATOM 371 OE1 GLN A 26 -1.842 -1.870 10.095 1.00 0.00 O ATOM 372 NE2 GLN A 26 -1.116 0.251 10.216 1.00 0.00 N ATOM 0 H GLN A 26 -1.610 -4.169 5.858 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.739 -1.383 5.556 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.150 -2.357 7.507 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -0.671 -3.140 8.029 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.440 -0.979 8.289 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -0.949 -0.144 7.622 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.619 1.017 9.761 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.507 0.380 11.149 1.00 0.00 H new ATOM 381 N CYS A 27 1.675 -1.854 5.281 1.00 0.00 N ATOM 382 CA CYS A 27 3.110 -2.063 5.192 1.00 0.00 C ATOM 383 C CYS A 27 3.756 -1.959 6.575 1.00 0.00 C ATOM 384 O CYS A 27 3.196 -1.354 7.485 1.00 0.00 O ATOM 385 CB CYS A 27 3.716 -1.040 4.230 1.00 0.00 C ATOM 386 SG CYS A 27 5.507 -1.137 4.072 1.00 0.00 S ATOM 0 H CYS A 27 1.329 -1.051 4.756 1.00 0.00 H new ATOM 0 HA CYS A 27 3.303 -3.065 4.809 1.00 0.00 H new ATOM 0 HB2 CYS A 27 3.269 -1.176 3.245 1.00 0.00 H new ATOM 0 HB3 CYS A 27 3.447 -0.039 4.567 1.00 0.00 H new ATOM 391 N GLY A 28 4.930 -2.563 6.735 1.00 0.00 N ATOM 392 CA GLY A 28 5.612 -2.522 8.019 1.00 0.00 C ATOM 393 C GLY A 28 6.726 -1.491 8.054 1.00 0.00 C ATOM 394 O GLY A 28 7.179 -1.090 9.126 1.00 0.00 O ATOM 0 H GLY A 28 5.420 -3.078 6.003 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.889 -2.298 8.803 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.026 -3.506 8.239 1.00 0.00 H new ATOM 398 N LYS A 29 7.164 -1.063 6.876 1.00 0.00 N ATOM 399 CA LYS A 29 8.225 -0.074 6.759 1.00 0.00 C ATOM 400 C LYS A 29 7.654 1.343 6.808 1.00 0.00 C ATOM 401 O LYS A 29 8.061 2.156 7.638 1.00 0.00 O ATOM 402 CB LYS A 29 8.983 -0.277 5.445 1.00 0.00 C ATOM 403 CG LYS A 29 10.486 -0.433 5.621 1.00 0.00 C ATOM 404 CD LYS A 29 11.073 -1.444 4.642 1.00 0.00 C ATOM 405 CE LYS A 29 12.085 -0.801 3.703 1.00 0.00 C ATOM 406 NZ LYS A 29 11.569 0.458 3.103 1.00 0.00 N ATOM 0 H LYS A 29 6.796 -1.389 5.982 1.00 0.00 H new ATOM 0 HA LYS A 29 8.908 -0.203 7.598 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.592 -1.162 4.944 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.790 0.572 4.790 1.00 0.00 H new ATOM 0 HG2 LYS A 29 10.970 0.533 5.478 1.00 0.00 H new ATOM 0 HG3 LYS A 29 10.701 -0.750 6.642 1.00 0.00 H new ATOM 0 HD2 LYS A 29 11.553 -2.250 5.197 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.270 -1.893 4.058 1.00 0.00 H new ATOM 0 HE2 LYS A 29 13.004 -0.591 4.250 1.00 0.00 H new ATOM 0 HE3 LYS A 29 12.339 -1.503 2.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.795 0.477 2.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.538 0.506 3.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 12.013 1.273 3.572 1.00 0.00 H new ATOM 420 N CYS A 30 6.709 1.633 5.919 1.00 0.00 N ATOM 421 CA CYS A 30 6.086 2.950 5.868 1.00 0.00 C ATOM 422 C CYS A 30 4.632 2.886 6.341 1.00 0.00 C ATOM 423 O CYS A 30 3.944 3.904 6.407 1.00 0.00 O ATOM 424 CB CYS A 30 6.164 3.519 4.449 1.00 0.00 C ATOM 425 SG CYS A 30 5.342 2.508 3.202 1.00 0.00 S ATOM 0 H CYS A 30 6.358 0.973 5.224 1.00 0.00 H new ATOM 0 HA CYS A 30 6.631 3.612 6.541 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.720 4.515 4.444 1.00 0.00 H new ATOM 0 HB3 CYS A 30 7.212 3.636 4.173 1.00 0.00 H new ATOM 430 N ASP A 31 4.174 1.681 6.673 1.00 0.00 N ATOM 431 CA ASP A 31 2.811 1.478 7.145 1.00 0.00 C ATOM 432 C ASP A 31 1.780 1.860 6.085 1.00 0.00 C ATOM 433 O ASP A 31 0.598 2.024 6.389 1.00 0.00 O ATOM 434 CB ASP A 31 2.567 2.269 8.433 1.00 0.00 C ATOM 435 CG ASP A 31 3.452 1.803 9.574 1.00 0.00 C ATOM 436 OD1 ASP A 31 4.685 1.747 9.381 1.00 0.00 O ATOM 437 OD2 ASP A 31 2.914 1.495 10.658 1.00 0.00 O ATOM 0 H ASP A 31 4.732 0.828 6.623 1.00 0.00 H new ATOM 0 HA ASP A 31 2.692 0.415 7.353 1.00 0.00 H new ATOM 0 HB2 ASP A 31 2.747 3.328 8.246 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.521 2.170 8.724 1.00 0.00 H new ATOM 442 N ARG A 32 2.227 1.994 4.839 1.00 0.00 N ATOM 443 CA ARG A 32 1.332 2.351 3.745 1.00 0.00 C ATOM 444 C ARG A 32 0.438 1.181 3.378 1.00 0.00 C ATOM 445 O ARG A 32 0.843 0.021 3.452 1.00 0.00 O ATOM 446 CB ARG A 32 2.131 2.800 2.522 1.00 0.00 C ATOM 447 CG ARG A 32 1.407 3.815 1.653 1.00 0.00 C ATOM 448 CD ARG A 32 2.102 5.166 1.699 1.00 0.00 C ATOM 449 NE ARG A 32 1.992 5.891 0.438 1.00 0.00 N ATOM 450 CZ ARG A 32 0.966 6.674 0.119 1.00 0.00 C ATOM 451 NH1 ARG A 32 -0.063 6.803 0.947 1.00 0.00 N ATOM 452 NH2 ARG A 32 0.966 7.322 -1.037 1.00 0.00 N ATOM 0 H ARG A 32 3.200 1.861 4.564 1.00 0.00 H new ATOM 0 HA ARG A 32 0.705 3.178 4.079 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.076 3.229 2.855 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.374 1.926 1.918 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.369 3.457 0.624 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.377 3.920 1.992 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.670 5.767 2.499 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.155 5.022 1.942 1.00 0.00 H new ATOM 0 HE ARG A 32 2.748 5.791 -0.240 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.070 6.300 1.834 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.847 7.405 0.696 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.752 7.219 -1.679 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.180 7.923 -1.285 1.00 0.00 H new ATOM 466 N TRP A 33 -0.786 1.499 2.991 1.00 0.00 N ATOM 467 CA TRP A 33 -1.747 0.478 2.620 1.00 0.00 C ATOM 468 C TRP A 33 -1.613 0.097 1.146 1.00 0.00 C ATOM 469 O TRP A 33 -1.729 0.949 0.267 1.00 0.00 O ATOM 470 CB TRP A 33 -3.169 0.955 2.920 1.00 0.00 C ATOM 471 CG TRP A 33 -3.500 0.950 4.384 1.00 0.00 C ATOM 472 CD1 TRP A 33 -3.239 1.942 5.287 1.00 0.00 C ATOM 473 CD2 TRP A 33 -4.150 -0.097 5.115 1.00 0.00 C ATOM 474 NE1 TRP A 33 -3.686 1.575 6.535 1.00 0.00 N ATOM 475 CE2 TRP A 33 -4.250 0.328 6.455 1.00 0.00 C ATOM 476 CE3 TRP A 33 -4.659 -1.352 4.770 1.00 0.00 C ATOM 477 CZ2 TRP A 33 -4.837 -0.460 7.443 1.00 0.00 C ATOM 478 CZ3 TRP A 33 -5.241 -2.130 5.756 1.00 0.00 C ATOM 479 CH2 TRP A 33 -5.325 -1.680 7.076 1.00 0.00 C ATOM 0 H TRP A 33 -1.136 2.455 2.926 1.00 0.00 H new ATOM 0 HA TRP A 33 -1.539 -0.411 3.215 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -3.296 1.965 2.529 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -3.878 0.317 2.392 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -2.753 2.878 5.055 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -3.610 2.139 7.382 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -4.599 -1.708 3.752 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -4.903 -0.117 8.465 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -5.637 -3.102 5.500 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -5.786 -2.311 7.821 1.00 0.00 H new ATOM 490 N VAL A 34 -1.370 -1.186 0.879 1.00 0.00 N ATOM 491 CA VAL A 34 -1.229 -1.662 -0.495 1.00 0.00 C ATOM 492 C VAL A 34 -2.409 -2.551 -0.873 1.00 0.00 C ATOM 493 O VAL A 34 -2.972 -3.246 -0.031 1.00 0.00 O ATOM 494 CB VAL A 34 0.073 -2.462 -0.696 1.00 0.00 C ATOM 495 CG1 VAL A 34 0.333 -2.717 -2.174 1.00 0.00 C ATOM 496 CG2 VAL A 34 1.256 -1.749 -0.059 1.00 0.00 C ATOM 0 H VAL A 34 -1.267 -1.909 1.591 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.200 -0.780 -1.134 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.049 -3.425 -0.201 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.257 -3.283 -2.288 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.495 -3.286 -2.596 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.423 -1.765 -2.697 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.162 -2.335 -0.216 1.00 0.00 H new ATOM 0 HG22 VAL A 34 1.377 -0.766 -0.514 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.079 -1.634 1.010 1.00 0.00 H new ATOM 506 N HIS A 35 -2.785 -2.515 -2.141 1.00 0.00 N ATOM 507 CA HIS A 35 -3.901 -3.303 -2.632 1.00 0.00 C ATOM 508 C HIS A 35 -3.645 -4.790 -2.446 1.00 0.00 C ATOM 509 O HIS A 35 -2.685 -5.337 -2.990 1.00 0.00 O ATOM 510 CB HIS A 35 -4.112 -3.004 -4.111 1.00 0.00 C ATOM 511 CG HIS A 35 -5.402 -2.332 -4.427 1.00 0.00 C ATOM 512 ND1 HIS A 35 -5.487 -1.446 -5.467 1.00 0.00 N ATOM 513 CD2 HIS A 35 -6.610 -2.429 -3.820 1.00 0.00 C ATOM 514 CE1 HIS A 35 -6.734 -1.020 -5.472 1.00 0.00 C ATOM 515 NE2 HIS A 35 -7.455 -1.587 -4.495 1.00 0.00 N ATOM 0 H HIS A 35 -2.329 -1.944 -2.853 1.00 0.00 H new ATOM 0 HA HIS A 35 -4.792 -3.036 -2.063 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.294 -2.375 -4.462 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -4.058 -3.939 -4.669 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -6.858 -3.048 -2.971 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -7.127 -0.302 -6.177 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -8.441 -1.424 -4.293 1.00 0.00 H new ATOM 523 N SER A 36 -4.515 -5.441 -1.689 1.00 0.00 N ATOM 524 CA SER A 36 -4.389 -6.869 -1.449 1.00 0.00 C ATOM 525 C SER A 36 -4.472 -7.651 -2.757 1.00 0.00 C ATOM 526 O SER A 36 -3.684 -8.558 -3.008 1.00 0.00 O ATOM 527 CB SER A 36 -5.449 -7.348 -0.442 1.00 0.00 C ATOM 528 OG SER A 36 -6.739 -7.484 -1.032 1.00 0.00 O ATOM 0 H SER A 36 -5.315 -5.003 -1.231 1.00 0.00 H new ATOM 0 HA SER A 36 -3.407 -7.057 -1.014 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.141 -8.306 -0.024 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.504 -6.642 0.386 1.00 0.00 H new ATOM 0 HG SER A 36 -7.100 -6.596 -1.238 1.00 0.00 H new ATOM 534 N LYS A 37 -5.451 -7.306 -3.579 1.00 0.00 N ATOM 535 CA LYS A 37 -5.660 -7.990 -4.847 1.00 0.00 C ATOM 536 C LYS A 37 -4.718 -7.484 -5.934 1.00 0.00 C ATOM 537 O LYS A 37 -4.118 -8.274 -6.662 1.00 0.00 O ATOM 538 CB LYS A 37 -7.114 -7.832 -5.287 1.00 0.00 C ATOM 539 CG LYS A 37 -7.651 -9.033 -6.046 1.00 0.00 C ATOM 540 CD LYS A 37 -8.343 -10.023 -5.120 1.00 0.00 C ATOM 541 CE LYS A 37 -9.534 -9.393 -4.417 1.00 0.00 C ATOM 542 NZ LYS A 37 -10.494 -10.418 -3.916 1.00 0.00 N ATOM 0 H LYS A 37 -6.115 -6.555 -3.391 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.438 -9.046 -4.695 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.735 -7.661 -4.408 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.201 -6.946 -5.916 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.353 -8.697 -6.809 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.832 -9.531 -6.564 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.675 -10.888 -5.694 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.632 -10.386 -4.378 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.183 -8.787 -3.582 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.047 -8.721 -5.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.291 -9.946 -3.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.850 -10.981 -4.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.012 -11.044 -3.239 1.00 0.00 H new ATOM 556 N CYS A 38 -4.600 -6.168 -6.052 1.00 0.00 N ATOM 557 CA CYS A 38 -3.740 -5.579 -7.069 1.00 0.00 C ATOM 558 C CYS A 38 -2.271 -5.953 -6.838 1.00 0.00 C ATOM 559 O CYS A 38 -1.532 -6.192 -7.792 1.00 0.00 O ATOM 560 CB CYS A 38 -3.948 -4.052 -7.124 1.00 0.00 C ATOM 561 SG CYS A 38 -2.480 -3.037 -6.822 1.00 0.00 S ATOM 0 H CYS A 38 -5.085 -5.493 -5.461 1.00 0.00 H new ATOM 0 HA CYS A 38 -4.018 -5.987 -8.041 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -4.347 -3.795 -8.105 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.708 -3.783 -6.391 1.00 0.00 H new ATOM 566 N GLU A 39 -1.856 -6.030 -5.572 1.00 0.00 N ATOM 567 CA GLU A 39 -0.478 -6.399 -5.246 1.00 0.00 C ATOM 568 C GLU A 39 -0.239 -7.901 -5.462 1.00 0.00 C ATOM 569 O GLU A 39 0.802 -8.431 -5.079 1.00 0.00 O ATOM 570 CB GLU A 39 -0.148 -6.011 -3.795 1.00 0.00 C ATOM 571 CG GLU A 39 1.288 -6.310 -3.380 1.00 0.00 C ATOM 572 CD GLU A 39 2.280 -5.292 -3.909 1.00 0.00 C ATOM 573 OE1 GLU A 39 1.906 -4.106 -4.027 1.00 0.00 O ATOM 574 OE2 GLU A 39 3.430 -5.680 -4.201 1.00 0.00 O ATOM 0 H GLU A 39 -2.448 -5.844 -4.763 1.00 0.00 H new ATOM 0 HA GLU A 39 0.183 -5.851 -5.917 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.338 -4.946 -3.663 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.826 -6.541 -3.126 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.348 -6.337 -2.292 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.566 -7.301 -3.739 1.00 0.00 H new ATOM 581 N ASN A 40 -1.201 -8.585 -6.086 1.00 0.00 N ATOM 582 CA ASN A 40 -1.075 -10.017 -6.355 1.00 0.00 C ATOM 583 C ASN A 40 -1.011 -10.832 -5.063 1.00 0.00 C ATOM 584 O ASN A 40 -0.421 -11.912 -5.030 1.00 0.00 O ATOM 585 CB ASN A 40 0.173 -10.289 -7.202 1.00 0.00 C ATOM 586 CG ASN A 40 -0.064 -10.033 -8.677 1.00 0.00 C ATOM 587 OD1 ASN A 40 0.178 -8.934 -9.175 1.00 0.00 O ATOM 588 ND2 ASN A 40 -0.541 -11.050 -9.383 1.00 0.00 N ATOM 0 H ASN A 40 -2.073 -8.170 -6.413 1.00 0.00 H new ATOM 0 HA ASN A 40 -1.964 -10.327 -6.905 1.00 0.00 H new ATOM 0 HB2 ASN A 40 0.990 -9.658 -6.853 1.00 0.00 H new ATOM 0 HB3 ASN A 40 0.486 -11.323 -7.061 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -0.722 -10.938 -10.381 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.727 -11.944 -8.928 1.00 0.00 H new ATOM 595 N LEU A 41 -1.627 -10.314 -4.004 1.00 0.00 N ATOM 596 CA LEU A 41 -1.642 -11.001 -2.714 1.00 0.00 C ATOM 597 C LEU A 41 -2.754 -12.047 -2.656 1.00 0.00 C ATOM 598 O LEU A 41 -3.929 -11.700 -2.546 1.00 0.00 O ATOM 599 CB LEU A 41 -1.849 -10.000 -1.576 1.00 0.00 C ATOM 600 CG LEU A 41 -0.599 -9.277 -1.092 1.00 0.00 C ATOM 601 CD1 LEU A 41 -0.964 -7.909 -0.554 1.00 0.00 C ATOM 602 CD2 LEU A 41 0.091 -10.095 -0.021 1.00 0.00 C ATOM 0 H LEU A 41 -2.122 -9.422 -4.013 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.678 -11.498 -2.600 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.574 -9.254 -1.901 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.291 -10.527 -0.730 1.00 0.00 H new ATOM 0 HG LEU A 41 0.084 -9.151 -1.932 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.063 -7.401 -0.211 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.434 -7.321 -1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.658 -8.019 0.279 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.984 -9.570 0.319 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.587 -10.240 0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.374 -11.065 -0.430 1.00 0.00 H new ATOM 614 N SER A 42 -2.385 -13.327 -2.708 1.00 0.00 N ATOM 615 CA SER A 42 -3.378 -14.397 -2.634 1.00 0.00 C ATOM 616 C SER A 42 -4.085 -14.343 -1.282 1.00 0.00 C ATOM 617 O SER A 42 -3.503 -13.923 -0.287 1.00 0.00 O ATOM 618 CB SER A 42 -2.733 -15.777 -2.856 1.00 0.00 C ATOM 619 OG SER A 42 -2.675 -16.105 -4.233 1.00 0.00 O ATOM 0 H SER A 42 -1.420 -13.645 -2.800 1.00 0.00 H new ATOM 0 HA SER A 42 -4.109 -14.249 -3.429 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.727 -15.782 -2.437 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.304 -16.537 -2.323 1.00 0.00 H new ATOM 0 HG SER A 42 -2.259 -16.986 -4.342 1.00 0.00 H new ATOM 625 N ASP A 43 -5.345 -14.744 -1.249 1.00 0.00 N ATOM 626 CA ASP A 43 -6.115 -14.717 -0.009 1.00 0.00 C ATOM 627 C ASP A 43 -5.485 -15.595 1.058 1.00 0.00 C ATOM 628 O ASP A 43 -5.407 -15.222 2.228 1.00 0.00 O ATOM 629 CB ASP A 43 -7.560 -15.139 -0.270 1.00 0.00 C ATOM 630 CG ASP A 43 -8.471 -13.950 -0.501 1.00 0.00 C ATOM 631 OD1 ASP A 43 -7.960 -12.875 -0.883 1.00 0.00 O ATOM 632 OD2 ASP A 43 -9.695 -14.092 -0.300 1.00 0.00 O ATOM 0 H ASP A 43 -5.857 -15.091 -2.060 1.00 0.00 H new ATOM 0 HA ASP A 43 -6.111 -13.693 0.364 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.594 -15.795 -1.140 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.927 -15.716 0.579 1.00 0.00 H new ATOM 637 N GLU A 44 -5.035 -16.758 0.637 1.00 0.00 N ATOM 638 CA GLU A 44 -4.400 -17.715 1.527 1.00 0.00 C ATOM 639 C GLU A 44 -3.109 -17.145 2.060 1.00 0.00 C ATOM 640 O GLU A 44 -2.860 -17.123 3.263 1.00 0.00 O ATOM 641 CB GLU A 44 -4.138 -19.032 0.781 1.00 0.00 C ATOM 642 CG GLU A 44 -2.675 -19.457 0.740 1.00 0.00 C ATOM 643 CD GLU A 44 -2.501 -20.948 0.943 1.00 0.00 C ATOM 644 OE1 GLU A 44 -3.341 -21.717 0.435 1.00 0.00 O ATOM 645 OE2 GLU A 44 -1.525 -21.348 1.614 1.00 0.00 O ATOM 0 H GLU A 44 -5.098 -17.070 -0.332 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.065 -17.917 2.367 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.720 -19.824 1.253 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.503 -18.934 -0.241 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.243 -19.171 -0.219 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.122 -18.921 1.511 1.00 0.00 H new ATOM 652 N MET A 45 -2.310 -16.662 1.137 1.00 0.00 N ATOM 653 CA MET A 45 -1.038 -16.060 1.484 1.00 0.00 C ATOM 654 C MET A 45 -1.300 -14.811 2.312 1.00 0.00 C ATOM 655 O MET A 45 -0.566 -14.512 3.252 1.00 0.00 O ATOM 656 CB MET A 45 -0.215 -15.751 0.229 1.00 0.00 C ATOM 657 CG MET A 45 -0.775 -14.631 -0.625 1.00 0.00 C ATOM 658 SD MET A 45 0.347 -13.239 -0.772 1.00 0.00 S ATOM 659 CE MET A 45 0.665 -12.914 0.957 1.00 0.00 C ATOM 0 H MET A 45 -2.516 -16.673 0.138 1.00 0.00 H new ATOM 0 HA MET A 45 -0.448 -16.759 2.076 1.00 0.00 H new ATOM 0 HB2 MET A 45 0.800 -15.490 0.530 1.00 0.00 H new ATOM 0 HB3 MET A 45 -0.146 -16.654 -0.377 1.00 0.00 H new ATOM 0 HG2 MET A 45 -1.000 -15.017 -1.619 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.716 -14.289 -0.195 1.00 0.00 H new ATOM 0 HE1 MET A 45 1.467 -12.182 1.048 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.238 -12.523 1.426 1.00 0.00 H new ATOM 0 HE3 MET A 45 0.960 -13.839 1.453 1.00 0.00 H new ATOM 669 N TYR A 46 -2.391 -14.116 1.980 1.00 0.00 N ATOM 670 CA TYR A 46 -2.800 -12.926 2.714 1.00 0.00 C ATOM 671 C TYR A 46 -3.304 -13.321 4.097 1.00 0.00 C ATOM 672 O TYR A 46 -3.150 -12.581 5.067 1.00 0.00 O ATOM 673 CB TYR A 46 -3.899 -12.175 1.960 1.00 0.00 C ATOM 674 CG TYR A 46 -4.117 -10.769 2.464 1.00 0.00 C ATOM 675 CD1 TYR A 46 -5.007 -10.512 3.498 1.00 0.00 C ATOM 676 CD2 TYR A 46 -3.434 -9.700 1.903 1.00 0.00 C ATOM 677 CE1 TYR A 46 -5.208 -9.224 3.962 1.00 0.00 C ATOM 678 CE2 TYR A 46 -3.630 -8.413 2.359 1.00 0.00 C ATOM 679 CZ TYR A 46 -4.517 -8.178 3.389 1.00 0.00 C ATOM 680 OH TYR A 46 -4.716 -6.894 3.845 1.00 0.00 O ATOM 0 H TYR A 46 -3.006 -14.362 1.204 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.937 -12.268 2.814 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.643 -12.138 0.901 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.832 -12.732 2.043 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.551 -11.330 3.947 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -2.738 -9.878 1.097 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -5.902 -9.039 4.768 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.091 -7.592 1.911 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.981 -6.641 4.441 1.00 0.00 H new ATOM 690 N GLU A 47 -3.912 -14.502 4.166 1.00 0.00 N ATOM 691 CA GLU A 47 -4.449 -15.025 5.416 1.00 0.00 C ATOM 692 C GLU A 47 -3.326 -15.434 6.360 1.00 0.00 C ATOM 693 O GLU A 47 -3.437 -15.282 7.575 1.00 0.00 O ATOM 694 CB GLU A 47 -5.361 -16.219 5.143 1.00 0.00 C ATOM 695 CG GLU A 47 -6.715 -15.825 4.584 1.00 0.00 C ATOM 696 CD GLU A 47 -7.865 -16.301 5.451 1.00 0.00 C ATOM 697 OE1 GLU A 47 -8.224 -17.494 5.360 1.00 0.00 O ATOM 698 OE2 GLU A 47 -8.404 -15.484 6.226 1.00 0.00 O ATOM 0 H GLU A 47 -4.045 -15.118 3.364 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.030 -14.235 5.892 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.868 -16.891 4.441 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.506 -16.776 6.069 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.762 -14.740 4.487 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.825 -16.239 3.582 1.00 0.00 H new ATOM 705 N ILE A 48 -2.254 -15.971 5.794 1.00 0.00 N ATOM 706 CA ILE A 48 -1.123 -16.419 6.599 1.00 0.00 C ATOM 707 C ILE A 48 -0.555 -15.272 7.438 1.00 0.00 C ATOM 708 O ILE A 48 -0.226 -15.471 8.608 1.00 0.00 O ATOM 709 CB ILE A 48 -0.021 -17.046 5.711 1.00 0.00 C ATOM 710 CG1 ILE A 48 -0.510 -18.380 5.139 1.00 0.00 C ATOM 711 CG2 ILE A 48 1.271 -17.254 6.493 1.00 0.00 C ATOM 712 CD1 ILE A 48 -0.163 -18.576 3.681 1.00 0.00 C ATOM 0 H ILE A 48 -2.142 -16.107 4.789 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.486 -17.188 7.281 1.00 0.00 H new ATOM 0 HB ILE A 48 0.189 -16.356 4.894 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.078 -19.195 5.720 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.592 -18.442 5.258 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.024 -17.696 5.840 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.630 -16.294 6.864 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.084 -17.921 7.334 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.540 -19.541 3.344 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.618 -17.782 3.089 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.920 -18.546 3.557 1.00 0.00 H new ATOM 724 N LEU A 49 -0.464 -14.069 6.867 1.00 0.00 N ATOM 725 CA LEU A 49 0.047 -12.929 7.630 1.00 0.00 C ATOM 726 C LEU A 49 -0.964 -12.512 8.683 1.00 0.00 C ATOM 727 O LEU A 49 -0.614 -12.212 9.823 1.00 0.00 O ATOM 728 CB LEU A 49 0.381 -11.718 6.743 1.00 0.00 C ATOM 729 CG LEU A 49 0.919 -12.002 5.334 1.00 0.00 C ATOM 730 CD1 LEU A 49 1.709 -13.302 5.276 1.00 0.00 C ATOM 731 CD2 LEU A 49 -0.223 -12.022 4.339 1.00 0.00 C ATOM 0 H LEU A 49 -0.730 -13.861 5.904 1.00 0.00 H new ATOM 0 HA LEU A 49 0.974 -13.258 8.100 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.521 -11.114 6.644 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.117 -11.109 7.268 1.00 0.00 H new ATOM 0 HG LEU A 49 1.608 -11.199 5.071 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.071 -13.463 4.260 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.557 -13.243 5.958 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.066 -14.132 5.568 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.167 -12.224 3.341 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.933 -12.801 4.616 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.726 -11.055 4.343 1.00 0.00 H new ATOM 743 N SER A 50 -2.217 -12.493 8.272 1.00 0.00 N ATOM 744 CA SER A 50 -3.325 -12.108 9.144 1.00 0.00 C ATOM 745 C SER A 50 -3.573 -13.145 10.236 1.00 0.00 C ATOM 746 O SER A 50 -4.251 -12.868 11.228 1.00 0.00 O ATOM 747 CB SER A 50 -4.601 -11.900 8.321 1.00 0.00 C ATOM 748 OG SER A 50 -4.871 -10.521 8.136 1.00 0.00 O ATOM 0 H SER A 50 -2.502 -12.743 7.325 1.00 0.00 H new ATOM 0 HA SER A 50 -3.050 -11.171 9.629 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.495 -12.386 7.351 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.443 -12.374 8.825 1.00 0.00 H new ATOM 0 HG SER A 50 -5.689 -10.416 7.607 1.00 0.00 H new ATOM 754 N ASN A 51 -3.010 -14.336 10.058 1.00 0.00 N ATOM 755 CA ASN A 51 -3.153 -15.413 11.031 1.00 0.00 C ATOM 756 C ASN A 51 -1.925 -15.479 11.929 1.00 0.00 C ATOM 757 O ASN A 51 -1.984 -15.983 13.051 1.00 0.00 O ATOM 758 CB ASN A 51 -3.341 -16.751 10.318 1.00 0.00 C ATOM 759 CG ASN A 51 -4.627 -16.803 9.518 1.00 0.00 C ATOM 760 OD1 ASN A 51 -5.505 -15.956 9.681 1.00 0.00 O ATOM 761 ND2 ASN A 51 -4.746 -17.802 8.649 1.00 0.00 N ATOM 0 H ASN A 51 -2.447 -14.580 9.243 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.032 -15.210 11.643 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.495 -16.927 9.653 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.341 -17.555 11.054 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.591 -17.889 8.084 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.992 -18.482 8.547 1.00 0.00 H new ATOM 768 N LEU A 52 -0.814 -14.955 11.421 1.00 0.00 N ATOM 769 CA LEU A 52 0.434 -14.928 12.148 1.00 0.00 C ATOM 770 C LEU A 52 0.320 -14.045 13.373 1.00 0.00 C ATOM 771 O LEU A 52 -0.599 -13.234 13.498 1.00 0.00 O ATOM 772 CB LEU A 52 1.562 -14.438 11.241 1.00 0.00 C ATOM 773 CG LEU A 52 2.254 -15.531 10.424 1.00 0.00 C ATOM 774 CD1 LEU A 52 2.541 -15.040 9.016 1.00 0.00 C ATOM 775 CD2 LEU A 52 3.542 -15.975 11.101 1.00 0.00 C ATOM 0 H LEU A 52 -0.762 -14.538 10.491 1.00 0.00 H new ATOM 0 HA LEU A 52 0.664 -15.941 12.478 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.159 -13.693 10.555 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.310 -13.935 11.855 1.00 0.00 H new ATOM 0 HG LEU A 52 1.583 -16.388 10.364 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.033 -15.830 8.449 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.605 -14.771 8.527 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.191 -14.166 9.061 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.018 -16.753 10.503 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.217 -15.124 11.193 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.315 -16.367 12.092 1.00 0.00 H new ATOM 787 N PRO A 53 1.258 -14.211 14.300 1.00 0.00 N ATOM 788 CA PRO A 53 1.295 -13.456 15.545 1.00 0.00 C ATOM 789 C PRO A 53 1.974 -12.096 15.388 1.00 0.00 C ATOM 790 O PRO A 53 2.351 -11.466 16.375 1.00 0.00 O ATOM 791 CB PRO A 53 2.113 -14.381 16.431 1.00 0.00 C ATOM 792 CG PRO A 53 3.117 -14.958 15.498 1.00 0.00 C ATOM 793 CD PRO A 53 2.375 -15.165 14.203 1.00 0.00 C ATOM 0 HA PRO A 53 0.306 -13.211 15.932 1.00 0.00 H new ATOM 0 HB2 PRO A 53 2.589 -13.838 17.247 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.493 -15.156 16.883 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.964 -14.285 15.364 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.515 -15.898 15.879 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.007 -14.959 13.339 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.021 -16.191 14.101 1.00 0.00 H new ATOM 801 N GLU A 54 2.122 -11.658 14.136 1.00 0.00 N ATOM 802 CA GLU A 54 2.740 -10.371 13.805 1.00 0.00 C ATOM 803 C GLU A 54 4.260 -10.470 13.740 1.00 0.00 C ATOM 804 O GLU A 54 4.950 -9.452 13.680 1.00 0.00 O ATOM 805 CB GLU A 54 2.319 -9.261 14.779 1.00 0.00 C ATOM 806 CG GLU A 54 1.042 -8.550 14.363 1.00 0.00 C ATOM 807 CD GLU A 54 1.312 -7.297 13.554 1.00 0.00 C ATOM 808 OE1 GLU A 54 1.763 -6.295 14.145 1.00 0.00 O ATOM 809 OE2 GLU A 54 1.075 -7.319 12.327 1.00 0.00 O ATOM 0 H GLU A 54 1.816 -12.187 13.320 1.00 0.00 H new ATOM 0 HA GLU A 54 2.375 -10.104 12.813 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.181 -9.691 15.771 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.124 -8.531 14.857 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.425 -9.231 13.777 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.470 -8.288 15.253 1.00 0.00 H new ATOM 816 N SER A 55 4.782 -11.693 13.741 1.00 0.00 N ATOM 817 CA SER A 55 6.224 -11.894 13.668 1.00 0.00 C ATOM 818 C SER A 55 6.755 -11.430 12.314 1.00 0.00 C ATOM 819 O SER A 55 7.887 -10.957 12.207 1.00 0.00 O ATOM 820 CB SER A 55 6.579 -13.367 13.897 1.00 0.00 C ATOM 821 OG SER A 55 7.496 -13.508 14.969 1.00 0.00 O ATOM 0 H SER A 55 4.234 -12.552 13.791 1.00 0.00 H new ATOM 0 HA SER A 55 6.692 -11.301 14.453 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.673 -13.934 14.112 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.010 -13.787 12.988 1.00 0.00 H new ATOM 0 HG SER A 55 7.706 -14.457 15.097 1.00 0.00 H new ATOM 827 N VAL A 56 5.922 -11.556 11.284 1.00 0.00 N ATOM 828 CA VAL A 56 6.286 -11.143 9.958 1.00 0.00 C ATOM 829 C VAL A 56 6.058 -9.656 9.792 1.00 0.00 C ATOM 830 O VAL A 56 5.633 -8.956 10.712 1.00 0.00 O ATOM 831 CB VAL A 56 5.474 -11.884 8.870 1.00 0.00 C ATOM 832 CG1 VAL A 56 6.288 -12.019 7.591 1.00 0.00 C ATOM 833 CG2 VAL A 56 5.015 -13.248 9.357 1.00 0.00 C ATOM 0 H VAL A 56 4.983 -11.947 11.358 1.00 0.00 H new ATOM 0 HA VAL A 56 7.341 -11.388 9.833 1.00 0.00 H new ATOM 0 HB VAL A 56 4.586 -11.289 8.655 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.699 -12.543 6.838 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.551 -11.028 7.221 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.198 -12.583 7.797 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.447 -13.743 8.569 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.884 -13.854 9.614 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.384 -13.127 10.238 1.00 0.00 H new ATOM 843 N ALA A 57 6.331 -9.204 8.602 1.00 0.00 N ATOM 844 CA ALA A 57 6.162 -7.811 8.234 1.00 0.00 C ATOM 845 C ALA A 57 5.763 -7.697 6.772 1.00 0.00 C ATOM 846 O ALA A 57 6.399 -8.296 5.905 1.00 0.00 O ATOM 847 CB ALA A 57 7.449 -7.041 8.493 1.00 0.00 C ATOM 0 H ALA A 57 6.681 -9.791 7.845 1.00 0.00 H new ATOM 0 HA ALA A 57 5.368 -7.381 8.845 1.00 0.00 H new ATOM 0 HB1 ALA A 57 7.311 -5.997 8.213 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.703 -7.103 9.551 1.00 0.00 H new ATOM 0 HB3 ALA A 57 8.256 -7.472 7.900 1.00 0.00 H new ATOM 853 N TYR A 58 4.732 -6.917 6.485 1.00 0.00 N ATOM 854 CA TYR A 58 4.308 -6.736 5.112 1.00 0.00 C ATOM 855 C TYR A 58 4.929 -5.478 4.557 1.00 0.00 C ATOM 856 O TYR A 58 4.670 -4.382 5.039 1.00 0.00 O ATOM 857 CB TYR A 58 2.786 -6.679 5.003 1.00 0.00 C ATOM 858 CG TYR A 58 2.302 -6.442 3.591 1.00 0.00 C ATOM 859 CD1 TYR A 58 2.319 -5.169 3.039 1.00 0.00 C ATOM 860 CD2 TYR A 58 1.828 -7.490 2.815 1.00 0.00 C ATOM 861 CE1 TYR A 58 1.878 -4.943 1.752 1.00 0.00 C ATOM 862 CE2 TYR A 58 1.383 -7.272 1.527 1.00 0.00 C ATOM 863 CZ TYR A 58 1.409 -5.997 1.000 1.00 0.00 C ATOM 864 OH TYR A 58 0.965 -5.778 -0.285 1.00 0.00 O ATOM 0 H TYR A 58 4.182 -6.407 7.176 1.00 0.00 H new ATOM 0 HA TYR A 58 4.644 -7.593 4.528 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.366 -7.614 5.373 1.00 0.00 H new ATOM 0 HB3 TYR A 58 2.411 -5.884 5.648 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.684 -4.340 3.628 1.00 0.00 H new ATOM 0 HD2 TYR A 58 1.807 -8.489 3.224 1.00 0.00 H new ATOM 0 HE1 TYR A 58 1.900 -3.946 1.337 1.00 0.00 H new ATOM 0 HE2 TYR A 58 1.016 -8.096 0.934 1.00 0.00 H new ATOM 0 HH TYR A 58 1.525 -5.098 -0.713 1.00 0.00 H new ATOM 874 N THR A 59 5.768 -5.646 3.551 1.00 0.00 N ATOM 875 CA THR A 59 6.444 -4.518 2.944 1.00 0.00 C ATOM 876 C THR A 59 5.859 -4.215 1.571 1.00 0.00 C ATOM 877 O THR A 59 5.661 -5.114 0.755 1.00 0.00 O ATOM 878 CB THR A 59 7.950 -4.758 2.859 1.00 0.00 C ATOM 879 OG1 THR A 59 8.332 -5.838 3.695 1.00 0.00 O ATOM 880 CG2 THR A 59 8.761 -3.547 3.276 1.00 0.00 C ATOM 0 H THR A 59 5.996 -6.551 3.139 1.00 0.00 H new ATOM 0 HA THR A 59 6.284 -3.647 3.580 1.00 0.00 H new ATOM 0 HB THR A 59 8.157 -4.979 1.812 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.299 -5.978 3.626 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.824 -3.776 3.196 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.520 -2.706 2.625 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.523 -3.287 4.307 1.00 0.00 H new ATOM 888 N CYS A 60 5.554 -2.945 1.340 1.00 0.00 N ATOM 889 CA CYS A 60 4.958 -2.513 0.090 1.00 0.00 C ATOM 890 C CYS A 60 6.000 -2.490 -1.020 1.00 0.00 C ATOM 891 O CYS A 60 7.200 -2.561 -0.765 1.00 0.00 O ATOM 892 CB CYS A 60 4.321 -1.132 0.273 1.00 0.00 C ATOM 893 SG CYS A 60 5.509 0.214 0.481 1.00 0.00 S ATOM 0 H CYS A 60 5.713 -2.193 2.010 1.00 0.00 H new ATOM 0 HA CYS A 60 4.181 -3.221 -0.198 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.694 -0.917 -0.592 1.00 0.00 H new ATOM 0 HB3 CYS A 60 3.665 -1.160 1.143 1.00 0.00 H new ATOM 898 N VAL A 61 5.524 -2.435 -2.253 1.00 0.00 N ATOM 899 CA VAL A 61 6.401 -2.461 -3.416 1.00 0.00 C ATOM 900 C VAL A 61 7.505 -1.406 -3.357 1.00 0.00 C ATOM 901 O VAL A 61 8.648 -1.686 -3.716 1.00 0.00 O ATOM 902 CB VAL A 61 5.589 -2.265 -4.708 1.00 0.00 C ATOM 903 CG1 VAL A 61 4.746 -1.009 -4.614 1.00 0.00 C ATOM 904 CG2 VAL A 61 6.496 -2.199 -5.924 1.00 0.00 C ATOM 0 H VAL A 61 4.531 -2.372 -2.477 1.00 0.00 H new ATOM 0 HA VAL A 61 6.879 -3.441 -3.413 1.00 0.00 H new ATOM 0 HB VAL A 61 4.931 -3.126 -4.825 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.177 -0.883 -5.535 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.059 -1.094 -3.772 1.00 0.00 H new ATOM 0 HG13 VAL A 61 5.395 -0.145 -4.467 1.00 0.00 H new ATOM 0 HG21 VAL A 61 5.892 -2.060 -6.821 1.00 0.00 H new ATOM 0 HG22 VAL A 61 7.186 -1.362 -5.818 1.00 0.00 H new ATOM 0 HG23 VAL A 61 7.061 -3.127 -6.007 1.00 0.00 H new ATOM 914 N ASN A 62 7.169 -0.196 -2.932 1.00 0.00 N ATOM 915 CA ASN A 62 8.158 0.875 -2.868 1.00 0.00 C ATOM 916 C ASN A 62 9.241 0.568 -1.851 1.00 0.00 C ATOM 917 O ASN A 62 10.430 0.739 -2.119 1.00 0.00 O ATOM 918 CB ASN A 62 7.484 2.207 -2.538 1.00 0.00 C ATOM 919 CG ASN A 62 8.349 3.401 -2.895 1.00 0.00 C ATOM 920 OD1 ASN A 62 8.904 3.394 -4.101 1.00 0.00 O flip ATOM 921 ND2 ASN A 62 8.515 4.321 -2.094 1.00 0.00 N flip ATOM 0 H ASN A 62 6.232 0.068 -2.629 1.00 0.00 H new ATOM 0 HA ASN A 62 8.629 0.951 -3.848 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.538 2.274 -3.075 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.249 2.238 -1.474 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.069 4.286 -1.177 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.098 5.119 -2.347 1.00 0.00 H new ATOM 928 N CYS A 63 8.825 0.091 -0.697 1.00 0.00 N ATOM 929 CA CYS A 63 9.749 -0.274 0.354 1.00 0.00 C ATOM 930 C CYS A 63 10.527 -1.507 -0.069 1.00 0.00 C ATOM 931 O CYS A 63 11.729 -1.621 0.169 1.00 0.00 O ATOM 932 CB CYS A 63 8.991 -0.520 1.653 1.00 0.00 C ATOM 933 SG CYS A 63 8.372 1.003 2.406 1.00 0.00 S ATOM 0 H CYS A 63 7.843 -0.054 -0.462 1.00 0.00 H new ATOM 0 HA CYS A 63 10.453 0.540 0.527 1.00 0.00 H new ATOM 0 HB2 CYS A 63 8.153 -1.189 1.458 1.00 0.00 H new ATOM 0 HB3 CYS A 63 9.647 -1.028 2.360 1.00 0.00 H new ATOM 938 N THR A 64 9.812 -2.423 -0.708 1.00 0.00 N ATOM 939 CA THR A 64 10.395 -3.666 -1.188 1.00 0.00 C ATOM 940 C THR A 64 11.240 -3.429 -2.447 1.00 0.00 C ATOM 941 O THR A 64 11.955 -4.321 -2.903 1.00 0.00 O ATOM 942 CB THR A 64 9.272 -4.686 -1.415 1.00 0.00 C ATOM 943 OG1 THR A 64 9.270 -5.658 -0.386 1.00 0.00 O ATOM 944 CG2 THR A 64 9.336 -5.424 -2.729 1.00 0.00 C ATOM 0 H THR A 64 8.816 -2.325 -0.907 1.00 0.00 H new ATOM 0 HA THR A 64 11.077 -4.069 -0.440 1.00 0.00 H new ATOM 0 HB THR A 64 8.363 -4.085 -1.420 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.547 -6.300 -0.544 1.00 0.00 H new ATOM 0 HG21 THR A 64 8.501 -6.121 -2.796 1.00 0.00 H new ATOM 0 HG22 THR A 64 9.279 -4.710 -3.551 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.274 -5.975 -2.792 1.00 0.00 H new ATOM 952 N GLU A 65 11.174 -2.210 -2.981 1.00 0.00 N ATOM 953 CA GLU A 65 11.946 -1.829 -4.168 1.00 0.00 C ATOM 954 C GLU A 65 11.874 -2.889 -5.266 1.00 0.00 C ATOM 955 O GLU A 65 12.572 -3.903 -5.217 1.00 0.00 O ATOM 956 CB GLU A 65 13.411 -1.580 -3.790 1.00 0.00 C ATOM 957 CG GLU A 65 13.957 -0.252 -4.295 1.00 0.00 C ATOM 958 CD GLU A 65 15.450 -0.101 -4.055 1.00 0.00 C ATOM 959 OE1 GLU A 65 16.211 -1.006 -4.458 1.00 0.00 O ATOM 960 OE2 GLU A 65 15.856 0.923 -3.466 1.00 0.00 O ATOM 0 H GLU A 65 10.589 -1.462 -2.608 1.00 0.00 H new ATOM 0 HA GLU A 65 11.504 -0.913 -4.559 1.00 0.00 H new ATOM 0 HB2 GLU A 65 13.507 -1.613 -2.705 1.00 0.00 H new ATOM 0 HB3 GLU A 65 14.022 -2.389 -4.189 1.00 0.00 H new ATOM 0 HG2 GLU A 65 13.754 -0.163 -5.362 1.00 0.00 H new ATOM 0 HG3 GLU A 65 13.430 0.564 -3.801 1.00 0.00 H new ATOM 967 N ARG A 66 11.038 -2.632 -6.266 1.00 0.00 N ATOM 968 CA ARG A 66 10.882 -3.548 -7.390 1.00 0.00 C ATOM 969 C ARG A 66 12.104 -3.503 -8.307 1.00 0.00 C ATOM 970 O ARG A 66 12.287 -4.380 -9.151 1.00 0.00 O ATOM 971 CB ARG A 66 9.620 -3.204 -8.186 1.00 0.00 C ATOM 972 CG ARG A 66 9.482 -1.721 -8.500 1.00 0.00 C ATOM 973 CD ARG A 66 9.252 -1.474 -9.986 1.00 0.00 C ATOM 974 NE ARG A 66 10.126 -0.425 -10.517 1.00 0.00 N ATOM 975 CZ ARG A 66 10.122 0.837 -10.083 1.00 0.00 C ATOM 976 NH1 ARG A 66 9.294 1.213 -9.119 1.00 0.00 N ATOM 977 NH2 ARG A 66 10.934 1.732 -10.628 1.00 0.00 N ATOM 0 H ARG A 66 10.457 -1.795 -6.321 1.00 0.00 H new ATOM 0 HA ARG A 66 10.788 -4.558 -6.990 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.626 -3.765 -9.120 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.745 -3.530 -7.623 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.651 -1.305 -7.930 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.382 -1.197 -8.180 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.423 -2.399 -10.537 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.211 -1.194 -10.149 1.00 0.00 H new ATOM 0 HE ARG A 66 10.776 -0.674 -11.263 1.00 0.00 H new ATOM 0 HH11 ARG A 66 8.654 0.536 -8.704 1.00 0.00 H new ATOM 0 HH12 ARG A 66 9.297 2.179 -8.792 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.564 1.457 -11.381 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.928 2.696 -10.294 1.00 0.00 H new ATOM 991 N HIS A 67 12.940 -2.477 -8.138 1.00 0.00 N ATOM 992 CA HIS A 67 14.141 -2.329 -8.954 1.00 0.00 C ATOM 993 C HIS A 67 15.219 -3.314 -8.512 1.00 0.00 C ATOM 994 O HIS A 67 15.399 -3.555 -7.319 1.00 0.00 O ATOM 995 CB HIS A 67 14.674 -0.896 -8.867 1.00 0.00 C ATOM 996 CG HIS A 67 14.542 -0.133 -10.145 1.00 0.00 C ATOM 997 ND1 HIS A 67 13.445 0.193 -10.859 1.00 0.00 N flip ATOM 998 CD2 HIS A 67 15.616 0.402 -10.829 1.00 0.00 C flip ATOM 999 CE1 HIS A 67 13.865 0.913 -11.950 1.00 0.00 C flip ATOM 1000 NE2 HIS A 67 15.179 1.026 -11.910 1.00 0.00 N flip ATOM 0 H HIS A 67 12.806 -1.740 -7.446 1.00 0.00 H new ATOM 0 HA HIS A 67 13.876 -2.545 -9.989 1.00 0.00 H new ATOM 0 HB2 HIS A 67 14.140 -0.365 -8.079 1.00 0.00 H new ATOM 0 HB3 HIS A 67 15.724 -0.924 -8.577 1.00 0.00 H new ATOM 0 HD2 HIS A 67 16.650 0.323 -10.528 1.00 0.00 H new ATOM 0 HE1 HIS A 67 13.223 1.321 -12.717 1.00 0.00 H new ATOM 0 HE2 HIS A 67 15.758 1.511 -12.595 1.00 0.00 H new TER 1009 HIS A 67 HETATM 1010 ZN ZN A 81 -3.761 -1.030 -6.541 1.00 0.00 ZN HETATM 1011 ZN ZN A 82 6.215 0.513 2.663 1.00 0.00 ZN