USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 428 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 THR OG1 : rot 94:sc= 0.198 USER MOD Set 1.2: A 50 THR OG1 : rot 180:sc= 0.153 USER MOD Set 2.1: A 31 GLN : amide:sc= -0.341 K(o=-0.086,f=-1.4!) USER MOD Set 2.2: A 33 TYR OH : rot -32:sc= 0.255 USER MOD Single : A 4 MET CE :methyl -134:sc= 0 (180deg=-0.0712) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 110:sc= -0.0142 USER MOD Single : A 16 TYR OH : rot 171:sc= -1.35! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -44:sc= 1 USER MOD Single : A 34 ASN : amide:sc= -0.287 X(o=-0.29,f=-0.35) USER MOD Single : A 35 ASN : amide:sc= -7.27! C(o=-7.3!,f=-21!) USER MOD Single : A 38 MET CE :methyl -148:sc= -0.385 (180deg=-1.9!) USER MOD Single : A 41 HIS : no HE2:sc= -0.171 K(o=-0.17,f=-5.4!) USER MOD Single : A 43 ASN : amide:sc= -4.62! C(o=-4.6!,f=-6.5!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 49 ASN : amide:sc=-0.00946 X(o=-0.0095,f=0) USER MOD Single : A 51 HIS :FLIP no HE2:sc= -0.34 F(o=-0.93,f=-0.34) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 13:sc= 0.0977! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 41 N MET A 4 -15.069 -8.541 5.627 1.00 0.00 N ATOM 42 CA MET A 4 -16.391 -8.039 6.095 1.00 0.00 C ATOM 43 C MET A 4 -16.221 -6.633 6.671 1.00 0.00 C ATOM 44 O MET A 4 -17.136 -5.834 6.671 1.00 0.00 O ATOM 45 CB MET A 4 -16.937 -8.973 7.177 1.00 0.00 C ATOM 46 CG MET A 4 -17.138 -10.370 6.585 1.00 0.00 C ATOM 47 SD MET A 4 -17.850 -11.463 7.841 1.00 0.00 S ATOM 48 CE MET A 4 -19.578 -10.975 7.615 1.00 0.00 C ATOM 0 HA MET A 4 -17.089 -8.009 5.258 1.00 0.00 H new ATOM 0 HB2 MET A 4 -16.245 -9.018 8.018 1.00 0.00 H new ATOM 0 HB3 MET A 4 -17.882 -8.589 7.562 1.00 0.00 H new ATOM 0 HG2 MET A 4 -17.797 -10.318 5.718 1.00 0.00 H new ATOM 0 HG3 MET A 4 -16.185 -10.770 6.238 1.00 0.00 H new ATOM 0 HE1 MET A 4 -20.038 -10.806 8.588 1.00 0.00 H new ATOM 0 HE2 MET A 4 -19.623 -10.058 7.028 1.00 0.00 H new ATOM 0 HE3 MET A 4 -20.114 -11.767 7.093 1.00 0.00 H new ATOM 58 N CYS A 5 -15.052 -6.325 7.160 1.00 0.00 N ATOM 59 CA CYS A 5 -14.815 -4.971 7.732 1.00 0.00 C ATOM 60 C CYS A 5 -14.562 -3.981 6.594 1.00 0.00 C ATOM 61 O CYS A 5 -14.713 -2.786 6.748 1.00 0.00 O ATOM 62 CB CYS A 5 -13.596 -5.015 8.654 1.00 0.00 C ATOM 63 SG CYS A 5 -13.876 -6.220 9.963 1.00 0.00 S ATOM 0 H CYS A 5 -14.249 -6.954 7.188 1.00 0.00 H new ATOM 0 HA CYS A 5 -15.688 -4.655 8.303 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -12.705 -5.281 8.085 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -13.417 -4.030 9.084 1.00 0.00 H new ATOM 68 N LYS A 6 -14.180 -4.472 5.446 1.00 0.00 N ATOM 69 CA LYS A 6 -13.926 -3.562 4.294 1.00 0.00 C ATOM 70 C LYS A 6 -15.258 -3.192 3.635 1.00 0.00 C ATOM 71 O LYS A 6 -15.291 -2.577 2.588 1.00 0.00 O ATOM 72 CB LYS A 6 -13.033 -4.270 3.272 1.00 0.00 C ATOM 73 CG LYS A 6 -11.734 -4.714 3.946 1.00 0.00 C ATOM 74 CD LYS A 6 -10.670 -4.983 2.878 1.00 0.00 C ATOM 75 CE LYS A 6 -9.423 -5.574 3.539 1.00 0.00 C ATOM 76 NZ LYS A 6 -8.787 -6.557 2.617 1.00 0.00 N ATOM 0 H LYS A 6 -14.033 -5.463 5.257 1.00 0.00 H new ATOM 0 HA LYS A 6 -13.429 -2.658 4.647 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.553 -5.133 2.857 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -12.813 -3.600 2.441 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.387 -3.943 4.634 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.907 -5.614 4.536 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.058 -5.672 2.128 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.417 -4.058 2.360 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.717 -4.780 3.783 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -9.692 -6.061 4.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.940 -6.958 3.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.461 -7.321 2.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.516 -6.080 1.734 1.00 0.00 H new ATOM 90 N ASP A 7 -16.357 -3.572 4.232 1.00 0.00 N ATOM 91 CA ASP A 7 -17.679 -3.249 3.626 1.00 0.00 C ATOM 92 C ASP A 7 -18.537 -2.460 4.618 1.00 0.00 C ATOM 93 O ASP A 7 -19.633 -2.042 4.299 1.00 0.00 O ATOM 94 CB ASP A 7 -18.401 -4.549 3.265 1.00 0.00 C ATOM 95 CG ASP A 7 -17.697 -5.214 2.082 1.00 0.00 C ATOM 96 OD1 ASP A 7 -16.835 -4.580 1.496 1.00 0.00 O ATOM 97 OD2 ASP A 7 -18.033 -6.347 1.780 1.00 0.00 O ATOM 0 H ASP A 7 -16.395 -4.090 5.110 1.00 0.00 H new ATOM 0 HA ASP A 7 -17.521 -2.647 2.731 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -18.409 -5.223 4.122 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -19.441 -4.342 3.013 1.00 0.00 H new ATOM 102 N TYR A 8 -18.062 -2.252 5.814 1.00 0.00 N ATOM 103 CA TYR A 8 -18.879 -1.490 6.800 1.00 0.00 C ATOM 104 C TYR A 8 -18.183 -0.167 7.141 1.00 0.00 C ATOM 105 O TYR A 8 -17.064 0.081 6.742 1.00 0.00 O ATOM 106 CB TYR A 8 -19.076 -2.337 8.072 1.00 0.00 C ATOM 107 CG TYR A 8 -17.952 -2.094 9.055 1.00 0.00 C ATOM 108 CD1 TYR A 8 -16.661 -2.538 8.758 1.00 0.00 C ATOM 109 CD2 TYR A 8 -18.204 -1.426 10.260 1.00 0.00 C ATOM 110 CE1 TYR A 8 -15.617 -2.314 9.663 1.00 0.00 C ATOM 111 CE2 TYR A 8 -17.160 -1.203 11.167 1.00 0.00 C ATOM 112 CZ TYR A 8 -15.867 -1.647 10.869 1.00 0.00 C ATOM 113 OH TYR A 8 -14.838 -1.429 11.762 1.00 0.00 O ATOM 0 H TYR A 8 -17.154 -2.572 6.150 1.00 0.00 H new ATOM 0 HA TYR A 8 -19.855 -1.269 6.369 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -20.031 -2.090 8.535 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -19.114 -3.394 7.809 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -16.468 -3.055 7.829 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -19.202 -1.083 10.490 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -14.619 -2.655 9.431 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -17.353 -0.688 12.097 1.00 0.00 H new ATOM 0 HH TYR A 8 -14.622 -0.473 11.785 1.00 0.00 H new ATOM 123 N ARG A 9 -18.844 0.673 7.884 1.00 0.00 N ATOM 124 CA ARG A 9 -18.235 1.975 8.269 1.00 0.00 C ATOM 125 C ARG A 9 -18.926 2.481 9.534 1.00 0.00 C ATOM 126 O ARG A 9 -20.135 2.440 9.649 1.00 0.00 O ATOM 127 CB ARG A 9 -18.412 2.987 7.137 1.00 0.00 C ATOM 128 CG ARG A 9 -19.878 3.408 7.044 1.00 0.00 C ATOM 129 CD ARG A 9 -20.041 4.403 5.895 1.00 0.00 C ATOM 130 NE ARG A 9 -21.452 4.879 5.837 1.00 0.00 N ATOM 131 CZ ARG A 9 -21.825 5.696 4.889 1.00 0.00 C ATOM 132 NH1 ARG A 9 -21.360 5.548 3.679 1.00 0.00 N ATOM 133 NH2 ARG A 9 -22.661 6.662 5.152 1.00 0.00 N ATOM 0 H ARG A 9 -19.785 0.513 8.243 1.00 0.00 H new ATOM 0 HA ARG A 9 -17.169 1.846 8.456 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -17.784 3.860 7.316 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -18.089 2.550 6.192 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -20.510 2.535 6.878 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -20.199 3.861 7.982 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -19.368 5.249 6.036 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -19.767 3.931 4.951 1.00 0.00 H new ATOM 0 HE ARG A 9 -22.125 4.567 6.537 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -20.705 4.794 3.473 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -21.652 6.186 2.939 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -23.023 6.779 6.098 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -22.952 7.300 4.411 1.00 0.00 H new ATOM 147 N VAL A 10 -18.172 2.941 10.491 1.00 0.00 N ATOM 148 CA VAL A 10 -18.794 3.427 11.753 1.00 0.00 C ATOM 149 C VAL A 10 -18.517 4.918 11.938 1.00 0.00 C ATOM 150 O VAL A 10 -17.470 5.418 11.581 1.00 0.00 O ATOM 151 CB VAL A 10 -18.209 2.648 12.932 1.00 0.00 C ATOM 152 CG1 VAL A 10 -18.738 3.231 14.243 1.00 0.00 C ATOM 153 CG2 VAL A 10 -18.622 1.179 12.823 1.00 0.00 C ATOM 0 H VAL A 10 -17.154 3.002 10.455 1.00 0.00 H new ATOM 0 HA VAL A 10 -19.872 3.273 11.705 1.00 0.00 H new ATOM 0 HB VAL A 10 -17.122 2.724 12.915 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -18.321 2.675 15.083 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -18.446 4.278 14.320 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -19.825 3.155 14.262 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -18.206 0.621 13.662 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -19.709 1.104 12.841 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -18.245 0.763 11.889 1.00 0.00 H new ATOM 163 N LEU A 11 -19.454 5.627 12.503 1.00 0.00 N ATOM 164 CA LEU A 11 -19.263 7.087 12.728 1.00 0.00 C ATOM 165 C LEU A 11 -19.301 7.365 14.231 1.00 0.00 C ATOM 166 O LEU A 11 -19.541 6.478 15.027 1.00 0.00 O ATOM 167 CB LEU A 11 -20.388 7.856 12.033 1.00 0.00 C ATOM 168 CG LEU A 11 -19.820 8.617 10.832 1.00 0.00 C ATOM 169 CD1 LEU A 11 -19.271 7.620 9.811 1.00 0.00 C ATOM 170 CD2 LEU A 11 -20.927 9.452 10.185 1.00 0.00 C ATOM 0 H LEU A 11 -20.349 5.255 12.820 1.00 0.00 H new ATOM 0 HA LEU A 11 -18.304 7.406 12.320 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -21.166 7.166 11.705 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -20.853 8.552 12.731 1.00 0.00 H new ATOM 0 HG LEU A 11 -19.018 9.275 11.166 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -18.866 8.161 8.956 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -18.482 7.026 10.271 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -20.073 6.962 9.478 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -20.522 9.993 9.330 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -21.730 8.795 9.851 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -21.319 10.163 10.912 1.00 0.00 H new ATOM 182 N PRO A 12 -19.059 8.622 14.629 1.00 0.00 N ATOM 183 CA PRO A 12 -19.068 9.016 16.043 1.00 0.00 C ATOM 184 C PRO A 12 -20.472 8.932 16.648 1.00 0.00 C ATOM 185 O PRO A 12 -20.635 8.816 17.847 1.00 0.00 O ATOM 186 CB PRO A 12 -18.593 10.469 16.010 1.00 0.00 C ATOM 187 CG PRO A 12 -18.939 10.943 14.640 1.00 0.00 C ATOM 188 CD PRO A 12 -18.761 9.756 13.738 1.00 0.00 C ATOM 0 HA PRO A 12 -18.445 8.365 16.656 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -19.090 11.067 16.774 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -17.521 10.541 16.196 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -19.964 11.313 14.602 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -18.292 11.766 14.336 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -19.440 9.790 12.886 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -17.749 9.701 13.337 1.00 0.00 H new ATOM 196 N ARG A 13 -21.485 8.987 15.829 1.00 0.00 N ATOM 197 CA ARG A 13 -22.876 8.907 16.358 1.00 0.00 C ATOM 198 C ARG A 13 -23.534 7.612 15.880 1.00 0.00 C ATOM 199 O ARG A 13 -24.476 7.127 16.473 1.00 0.00 O ATOM 200 CB ARG A 13 -23.682 10.102 15.848 1.00 0.00 C ATOM 201 CG ARG A 13 -23.103 11.392 16.430 1.00 0.00 C ATOM 202 CD ARG A 13 -23.897 12.586 15.900 1.00 0.00 C ATOM 203 NE ARG A 13 -23.195 13.850 16.261 1.00 0.00 N ATOM 204 CZ ARG A 13 -22.943 14.742 15.343 1.00 0.00 C ATOM 205 NH1 ARG A 13 -23.822 14.985 14.409 1.00 0.00 N ATOM 206 NH2 ARG A 13 -21.812 15.392 15.358 1.00 0.00 N ATOM 0 H ARG A 13 -21.410 9.084 14.816 1.00 0.00 H new ATOM 0 HA ARG A 13 -22.850 8.920 17.448 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -23.652 10.136 14.759 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -24.728 9.998 16.135 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -23.147 11.365 17.519 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -22.052 11.489 16.156 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -24.004 12.513 14.818 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -24.903 12.583 16.321 1.00 0.00 H new ATOM 0 HE ARG A 13 -22.911 14.018 17.226 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -24.707 14.477 14.397 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -23.624 15.683 13.692 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -21.125 15.203 16.088 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -21.615 16.089 14.640 1.00 0.00 H new ATOM 220 N ILE A 14 -23.046 7.048 14.809 1.00 0.00 N ATOM 221 CA ILE A 14 -23.645 5.786 14.292 1.00 0.00 C ATOM 222 C ILE A 14 -23.157 4.607 15.134 1.00 0.00 C ATOM 223 O ILE A 14 -23.922 3.740 15.510 1.00 0.00 O ATOM 224 CB ILE A 14 -23.222 5.581 12.836 1.00 0.00 C ATOM 225 CG1 ILE A 14 -23.754 6.734 11.983 1.00 0.00 C ATOM 226 CG2 ILE A 14 -23.793 4.260 12.321 1.00 0.00 C ATOM 227 CD1 ILE A 14 -23.204 6.611 10.560 1.00 0.00 C ATOM 0 H ILE A 14 -22.258 7.407 14.270 1.00 0.00 H new ATOM 0 HA ILE A 14 -24.732 5.849 14.351 1.00 0.00 H new ATOM 0 HB ILE A 14 -22.134 5.555 12.774 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -24.844 6.715 11.966 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -23.458 7.689 12.418 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -23.492 4.113 11.284 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -23.414 3.438 12.929 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -24.881 4.285 12.383 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -23.583 7.432 9.951 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -22.115 6.651 10.586 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -23.522 5.662 10.128 1.00 0.00 H new ATOM 239 N GLY A 15 -21.887 4.565 15.434 1.00 0.00 N ATOM 240 CA GLY A 15 -21.351 3.442 16.251 1.00 0.00 C ATOM 241 C GLY A 15 -21.260 2.182 15.388 1.00 0.00 C ATOM 242 O GLY A 15 -21.338 2.242 14.176 1.00 0.00 O ATOM 0 H GLY A 15 -21.198 5.261 15.148 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -20.367 3.700 16.642 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -21.998 3.262 17.110 1.00 0.00 H new ATOM 246 N TYR A 16 -21.093 1.041 15.998 1.00 0.00 N ATOM 247 CA TYR A 16 -20.998 -0.217 15.205 1.00 0.00 C ATOM 248 C TYR A 16 -22.381 -0.861 15.099 1.00 0.00 C ATOM 249 O TYR A 16 -23.208 -0.728 15.978 1.00 0.00 O ATOM 250 CB TYR A 16 -20.034 -1.185 15.894 1.00 0.00 C ATOM 251 CG TYR A 16 -19.248 -1.934 14.845 1.00 0.00 C ATOM 252 CD1 TYR A 16 -19.892 -2.867 14.025 1.00 0.00 C ATOM 253 CD2 TYR A 16 -17.877 -1.695 14.693 1.00 0.00 C ATOM 254 CE1 TYR A 16 -19.165 -3.562 13.051 1.00 0.00 C ATOM 255 CE2 TYR A 16 -17.150 -2.389 13.720 1.00 0.00 C ATOM 256 CZ TYR A 16 -17.794 -3.323 12.898 1.00 0.00 C ATOM 257 OH TYR A 16 -17.078 -4.007 11.938 1.00 0.00 O ATOM 0 H TYR A 16 -21.018 0.925 17.009 1.00 0.00 H new ATOM 0 HA TYR A 16 -20.628 0.012 14.206 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -19.358 -0.638 16.550 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -20.588 -1.885 16.519 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -20.950 -3.051 14.143 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -17.381 -0.975 15.327 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -19.662 -4.282 12.418 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -16.092 -2.205 13.602 1.00 0.00 H new ATOM 0 HH TYR A 16 -16.179 -3.624 11.865 1.00 0.00 H new ATOM 267 N LEU A 17 -22.639 -1.557 14.025 1.00 0.00 N ATOM 268 CA LEU A 17 -23.970 -2.205 13.861 1.00 0.00 C ATOM 269 C LEU A 17 -23.794 -3.721 13.738 1.00 0.00 C ATOM 270 O LEU A 17 -23.208 -4.214 12.794 1.00 0.00 O ATOM 271 CB LEU A 17 -24.645 -1.666 12.598 1.00 0.00 C ATOM 272 CG LEU A 17 -26.004 -2.346 12.417 1.00 0.00 C ATOM 273 CD1 LEU A 17 -27.020 -1.717 13.372 1.00 0.00 C ATOM 274 CD2 LEU A 17 -26.477 -2.162 10.974 1.00 0.00 C ATOM 0 H LEU A 17 -21.986 -1.704 13.255 1.00 0.00 H new ATOM 0 HA LEU A 17 -24.590 -1.984 14.730 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -24.774 -0.586 12.674 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -24.015 -1.851 11.728 1.00 0.00 H new ATOM 0 HG LEU A 17 -25.911 -3.410 12.636 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -27.988 -2.201 13.244 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -26.682 -1.848 14.400 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -27.114 -0.653 13.154 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -27.445 -2.646 10.844 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -26.571 -1.098 10.755 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -25.753 -2.610 10.294 1.00 0.00 H new ATOM 286 N CYS A 18 -24.302 -4.464 14.684 1.00 0.00 N ATOM 287 CA CYS A 18 -24.171 -5.947 14.625 1.00 0.00 C ATOM 288 C CYS A 18 -25.558 -6.579 14.747 1.00 0.00 C ATOM 289 O CYS A 18 -26.477 -5.983 15.272 1.00 0.00 O ATOM 290 CB CYS A 18 -23.288 -6.429 15.776 1.00 0.00 C ATOM 291 SG CYS A 18 -21.662 -5.645 15.652 1.00 0.00 S ATOM 0 H CYS A 18 -24.803 -4.106 15.497 1.00 0.00 H new ATOM 0 HA CYS A 18 -23.717 -6.237 13.677 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -23.751 -6.183 16.732 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -23.185 -7.514 15.741 1.00 0.00 H new ATOM 296 N PRO A 19 -25.707 -7.814 14.251 1.00 0.00 N ATOM 297 CA PRO A 19 -26.982 -8.539 14.302 1.00 0.00 C ATOM 298 C PRO A 19 -27.322 -8.985 15.725 1.00 0.00 C ATOM 299 O PRO A 19 -26.492 -8.944 16.613 1.00 0.00 O ATOM 300 CB PRO A 19 -26.736 -9.760 13.418 1.00 0.00 C ATOM 301 CG PRO A 19 -25.258 -9.964 13.456 1.00 0.00 C ATOM 302 CD PRO A 19 -24.644 -8.599 13.603 1.00 0.00 C ATOM 0 HA PRO A 19 -27.818 -7.921 13.974 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -27.266 -10.635 13.795 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -27.086 -9.589 12.400 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -24.976 -10.608 14.289 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -24.910 -10.450 12.545 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -23.739 -8.629 14.211 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -24.366 -8.178 12.637 1.00 0.00 H new ATOM 310 N LYS A 20 -28.533 -9.411 15.950 1.00 0.00 N ATOM 311 CA LYS A 20 -28.919 -9.859 17.316 1.00 0.00 C ATOM 312 C LYS A 20 -28.559 -11.336 17.485 1.00 0.00 C ATOM 313 O LYS A 20 -28.374 -11.818 18.585 1.00 0.00 O ATOM 314 CB LYS A 20 -30.426 -9.672 17.509 1.00 0.00 C ATOM 315 CG LYS A 20 -30.772 -8.185 17.401 1.00 0.00 C ATOM 316 CD LYS A 20 -32.262 -7.987 17.686 1.00 0.00 C ATOM 317 CE LYS A 20 -32.616 -6.506 17.539 1.00 0.00 C ATOM 318 NZ LYS A 20 -33.675 -6.347 16.501 1.00 0.00 N ATOM 0 H LYS A 20 -29.271 -9.468 15.248 1.00 0.00 H new ATOM 0 HA LYS A 20 -28.385 -9.267 18.059 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -30.973 -10.240 16.756 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -30.730 -10.058 18.482 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -30.176 -7.609 18.109 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -30.529 -7.815 16.405 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -32.858 -8.585 16.996 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -32.500 -8.331 18.693 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -32.964 -6.108 18.492 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -31.730 -5.936 17.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -33.915 -5.340 16.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -33.327 -6.711 15.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -34.522 -6.879 16.785 1.00 0.00 H new ATOM 332 N ASP A 21 -28.454 -12.057 16.403 1.00 0.00 N ATOM 333 CA ASP A 21 -28.100 -13.500 16.503 1.00 0.00 C ATOM 334 C ASP A 21 -26.702 -13.635 17.105 1.00 0.00 C ATOM 335 O ASP A 21 -25.766 -12.992 16.674 1.00 0.00 O ATOM 336 CB ASP A 21 -28.118 -14.128 15.107 1.00 0.00 C ATOM 337 CG ASP A 21 -29.501 -13.940 14.479 1.00 0.00 C ATOM 338 OD1 ASP A 21 -30.420 -13.606 15.208 1.00 0.00 O ATOM 339 OD2 ASP A 21 -29.615 -14.133 13.280 1.00 0.00 O ATOM 0 H ASP A 21 -28.598 -11.709 15.455 1.00 0.00 H new ATOM 0 HA ASP A 21 -28.823 -14.011 17.139 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -27.356 -13.666 14.479 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -27.877 -15.189 15.171 1.00 0.00 H new ATOM 344 N LEU A 22 -26.550 -14.466 18.100 1.00 0.00 N ATOM 345 CA LEU A 22 -25.209 -14.636 18.727 1.00 0.00 C ATOM 346 C LEU A 22 -24.485 -15.816 18.075 1.00 0.00 C ATOM 347 O LEU A 22 -24.924 -16.946 18.152 1.00 0.00 O ATOM 348 CB LEU A 22 -25.373 -14.904 20.223 1.00 0.00 C ATOM 349 CG LEU A 22 -23.997 -15.121 20.855 1.00 0.00 C ATOM 350 CD1 LEU A 22 -23.107 -13.909 20.571 1.00 0.00 C ATOM 351 CD2 LEU A 22 -24.150 -15.297 22.366 1.00 0.00 C ATOM 0 H LEU A 22 -27.295 -15.033 18.505 1.00 0.00 H new ATOM 0 HA LEU A 22 -24.625 -13.727 18.583 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -25.876 -14.064 20.701 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -26.000 -15.782 20.380 1.00 0.00 H new ATOM 0 HG LEU A 22 -23.541 -16.015 20.430 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -22.127 -14.064 21.022 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -22.996 -13.784 19.494 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -23.564 -13.015 20.995 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -23.169 -15.452 22.815 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -24.608 -14.404 22.792 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -24.783 -16.161 22.569 1.00 0.00 H new ATOM 363 N LYS A 23 -23.374 -15.562 17.441 1.00 0.00 N ATOM 364 CA LYS A 23 -22.619 -16.672 16.790 1.00 0.00 C ATOM 365 C LYS A 23 -21.158 -16.609 17.239 1.00 0.00 C ATOM 366 O LYS A 23 -20.410 -15.747 16.820 1.00 0.00 O ATOM 367 CB LYS A 23 -22.693 -16.532 15.266 1.00 0.00 C ATOM 368 CG LYS A 23 -23.985 -15.811 14.874 1.00 0.00 C ATOM 369 CD LYS A 23 -24.217 -15.964 13.370 1.00 0.00 C ATOM 370 CE LYS A 23 -25.506 -16.753 13.131 1.00 0.00 C ATOM 371 NZ LYS A 23 -25.172 -18.182 12.873 1.00 0.00 N ATOM 0 H LYS A 23 -22.956 -14.637 17.345 1.00 0.00 H new ATOM 0 HA LYS A 23 -23.056 -17.628 17.079 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -21.830 -15.976 14.900 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -22.659 -17.516 14.799 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -24.828 -16.226 15.427 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -23.919 -14.755 15.137 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -24.286 -14.983 12.900 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -23.373 -16.478 12.911 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -26.161 -16.672 13.999 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -26.048 -16.336 12.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -26.048 -18.719 12.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -24.563 -18.250 12.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -24.672 -18.576 13.696 1.00 0.00 H new ATOM 385 N PRO A 24 -20.751 -17.542 18.113 1.00 0.00 N ATOM 386 CA PRO A 24 -19.380 -17.600 18.639 1.00 0.00 C ATOM 387 C PRO A 24 -18.357 -17.908 17.545 1.00 0.00 C ATOM 388 O PRO A 24 -18.414 -18.934 16.901 1.00 0.00 O ATOM 389 CB PRO A 24 -19.437 -18.747 19.651 1.00 0.00 C ATOM 390 CG PRO A 24 -20.576 -19.588 19.189 1.00 0.00 C ATOM 391 CD PRO A 24 -21.592 -18.624 18.651 1.00 0.00 C ATOM 0 HA PRO A 24 -19.066 -16.649 19.069 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -18.505 -19.312 19.665 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -19.600 -18.377 20.663 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -20.258 -20.292 18.421 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -20.988 -20.176 20.009 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -22.213 -19.078 17.878 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -22.264 -18.266 19.431 1.00 0.00 H new ATOM 399 N VAL A 25 -17.421 -17.023 17.331 1.00 0.00 N ATOM 400 CA VAL A 25 -16.397 -17.272 16.278 1.00 0.00 C ATOM 401 C VAL A 25 -15.016 -17.380 16.919 1.00 0.00 C ATOM 402 O VAL A 25 -14.759 -16.820 17.966 1.00 0.00 O ATOM 403 CB VAL A 25 -16.389 -16.116 15.275 1.00 0.00 C ATOM 404 CG1 VAL A 25 -17.746 -16.027 14.579 1.00 0.00 C ATOM 405 CG2 VAL A 25 -16.103 -14.806 16.011 1.00 0.00 C ATOM 0 H VAL A 25 -17.322 -16.143 17.837 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.640 -18.202 15.763 1.00 0.00 H new ATOM 0 HB VAL A 25 -15.614 -16.291 14.528 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -17.736 -15.203 13.866 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -17.947 -16.960 14.052 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.525 -15.855 15.322 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -16.097 -13.982 15.298 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.876 -14.633 16.759 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -15.131 -14.869 16.501 1.00 0.00 H new ATOM 415 N CYS A 26 -14.120 -18.085 16.290 1.00 0.00 N ATOM 416 CA CYS A 26 -12.749 -18.217 16.850 1.00 0.00 C ATOM 417 C CYS A 26 -11.844 -17.176 16.188 1.00 0.00 C ATOM 418 O CYS A 26 -11.888 -16.980 14.992 1.00 0.00 O ATOM 419 CB CYS A 26 -12.211 -19.623 16.571 1.00 0.00 C ATOM 420 SG CYS A 26 -10.524 -19.760 17.213 1.00 0.00 S ATOM 0 H CYS A 26 -14.279 -18.576 15.410 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.772 -18.055 17.928 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.852 -20.369 17.040 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.221 -19.822 15.499 1.00 0.00 H new ATOM 425 N GLY A 27 -11.036 -16.501 16.954 1.00 0.00 N ATOM 426 CA GLY A 27 -10.140 -15.469 16.363 1.00 0.00 C ATOM 427 C GLY A 27 -8.788 -16.097 16.018 1.00 0.00 C ATOM 428 O GLY A 27 -8.254 -16.893 16.764 1.00 0.00 O ATOM 0 H GLY A 27 -10.957 -16.619 17.964 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.596 -15.048 15.467 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.002 -14.648 17.066 1.00 0.00 H new ATOM 432 N ASP A 28 -8.232 -15.743 14.892 1.00 0.00 N ATOM 433 CA ASP A 28 -6.914 -16.318 14.498 1.00 0.00 C ATOM 434 C ASP A 28 -5.825 -15.792 15.434 1.00 0.00 C ATOM 435 O ASP A 28 -4.693 -16.234 15.396 1.00 0.00 O ATOM 436 CB ASP A 28 -6.590 -15.914 13.059 1.00 0.00 C ATOM 437 CG ASP A 28 -6.539 -14.389 12.958 1.00 0.00 C ATOM 438 OD1 ASP A 28 -6.553 -13.745 13.994 1.00 0.00 O ATOM 439 OD2 ASP A 28 -6.488 -13.891 11.846 1.00 0.00 O ATOM 0 H ASP A 28 -8.633 -15.081 14.228 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.958 -17.405 14.569 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.634 -16.342 12.756 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.345 -16.309 12.380 1.00 0.00 H new ATOM 444 N ASP A 29 -6.155 -14.853 16.277 1.00 0.00 N ATOM 445 CA ASP A 29 -5.138 -14.303 17.216 1.00 0.00 C ATOM 446 C ASP A 29 -5.125 -15.140 18.496 1.00 0.00 C ATOM 447 O ASP A 29 -4.497 -14.785 19.474 1.00 0.00 O ATOM 448 CB ASP A 29 -5.491 -12.854 17.556 1.00 0.00 C ATOM 449 CG ASP A 29 -6.862 -12.810 18.232 1.00 0.00 C ATOM 450 OD1 ASP A 29 -7.402 -13.871 18.502 1.00 0.00 O ATOM 451 OD2 ASP A 29 -7.350 -11.718 18.469 1.00 0.00 O ATOM 0 H ASP A 29 -7.085 -14.443 16.356 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.153 -14.336 16.750 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.734 -12.429 18.216 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.501 -12.248 16.650 1.00 0.00 H new ATOM 456 N GLY A 30 -5.815 -16.248 18.499 1.00 0.00 N ATOM 457 CA GLY A 30 -5.842 -17.105 19.717 1.00 0.00 C ATOM 458 C GLY A 30 -6.963 -16.631 20.644 1.00 0.00 C ATOM 459 O GLY A 30 -7.026 -17.002 21.799 1.00 0.00 O ATOM 0 H GLY A 30 -6.361 -16.596 17.711 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.001 -18.147 19.439 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.883 -17.055 20.232 1.00 0.00 H new ATOM 463 N GLN A 31 -7.849 -15.812 20.146 1.00 0.00 N ATOM 464 CA GLN A 31 -8.965 -15.315 20.998 1.00 0.00 C ATOM 465 C GLN A 31 -10.301 -15.728 20.379 1.00 0.00 C ATOM 466 O GLN A 31 -10.354 -16.237 19.277 1.00 0.00 O ATOM 467 CB GLN A 31 -8.899 -13.788 21.091 1.00 0.00 C ATOM 468 CG GLN A 31 -7.768 -13.382 22.039 1.00 0.00 C ATOM 469 CD GLN A 31 -7.556 -11.870 21.960 1.00 0.00 C ATOM 470 OE1 GLN A 31 -8.220 -11.189 21.203 1.00 0.00 O ATOM 471 NE2 GLN A 31 -6.651 -11.309 22.716 1.00 0.00 N ATOM 0 H GLN A 31 -7.848 -15.466 19.186 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.876 -15.744 21.996 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.731 -13.360 20.103 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.849 -13.394 21.452 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -8.013 -13.673 23.060 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.849 -13.903 21.771 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.093 -11.879 23.352 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.502 -10.301 22.671 1.00 0.00 H new ATOM 480 N THR A 32 -11.381 -15.514 21.078 1.00 0.00 N ATOM 481 CA THR A 32 -12.713 -15.893 20.529 1.00 0.00 C ATOM 482 C THR A 32 -13.696 -14.744 20.747 1.00 0.00 C ATOM 483 O THR A 32 -13.721 -14.123 21.791 1.00 0.00 O ATOM 484 CB THR A 32 -13.223 -17.144 21.248 1.00 0.00 C ATOM 485 OG1 THR A 32 -12.220 -18.148 21.215 1.00 0.00 O ATOM 486 CG2 THR A 32 -14.484 -17.653 20.552 1.00 0.00 C ATOM 0 H THR A 32 -11.399 -15.093 22.007 1.00 0.00 H new ATOM 0 HA THR A 32 -12.623 -16.099 19.462 1.00 0.00 H new ATOM 0 HB THR A 32 -13.457 -16.900 22.284 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.825 -18.186 20.319 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.848 -18.544 21.064 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.252 -16.880 20.579 1.00 0.00 H new ATOM 0 HG23 THR A 32 -14.253 -17.899 19.515 1.00 0.00 H new ATOM 494 N TYR A 33 -14.509 -14.457 19.769 1.00 0.00 N ATOM 495 CA TYR A 33 -15.491 -13.349 19.920 1.00 0.00 C ATOM 496 C TYR A 33 -16.904 -13.929 19.939 1.00 0.00 C ATOM 497 O TYR A 33 -17.283 -14.695 19.077 1.00 0.00 O ATOM 498 CB TYR A 33 -15.343 -12.380 18.747 1.00 0.00 C ATOM 499 CG TYR A 33 -13.903 -11.934 18.655 1.00 0.00 C ATOM 500 CD1 TYR A 33 -12.937 -12.795 18.120 1.00 0.00 C ATOM 501 CD2 TYR A 33 -13.534 -10.662 19.108 1.00 0.00 C ATOM 502 CE1 TYR A 33 -11.601 -12.384 18.039 1.00 0.00 C ATOM 503 CE2 TYR A 33 -12.198 -10.251 19.028 1.00 0.00 C ATOM 504 CZ TYR A 33 -11.231 -11.112 18.493 1.00 0.00 C ATOM 505 OH TYR A 33 -9.914 -10.708 18.413 1.00 0.00 O ATOM 0 H TYR A 33 -14.535 -14.942 18.872 1.00 0.00 H new ATOM 0 HA TYR A 33 -15.308 -12.815 20.852 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -15.647 -12.864 17.819 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -15.996 -11.518 18.886 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -13.222 -13.776 17.770 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -14.280 -9.998 19.519 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -10.856 -13.048 17.626 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -11.913 -9.270 19.379 1.00 0.00 H new ATOM 0 HH TYR A 33 -9.326 -11.485 18.522 1.00 0.00 H new ATOM 515 N ASN A 34 -17.686 -13.576 20.922 1.00 0.00 N ATOM 516 CA ASN A 34 -19.071 -14.118 20.998 1.00 0.00 C ATOM 517 C ASN A 34 -19.785 -13.898 19.662 1.00 0.00 C ATOM 518 O ASN A 34 -19.920 -14.803 18.869 1.00 0.00 O ATOM 519 CB ASN A 34 -19.839 -13.418 22.123 1.00 0.00 C ATOM 520 CG ASN A 34 -18.937 -13.283 23.350 1.00 0.00 C ATOM 521 OD1 ASN A 34 -18.303 -14.235 23.760 1.00 0.00 O ATOM 522 ND2 ASN A 34 -18.851 -12.132 23.955 1.00 0.00 N ATOM 0 H ASN A 34 -17.426 -12.937 21.674 1.00 0.00 H new ATOM 0 HA ASN A 34 -19.029 -15.187 21.208 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -20.171 -12.434 21.793 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -20.733 -13.988 22.377 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -18.251 -12.030 24.774 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -19.384 -11.333 23.610 1.00 0.00 H new ATOM 529 N ASN A 35 -20.245 -12.708 19.410 1.00 0.00 N ATOM 530 CA ASN A 35 -20.955 -12.439 18.127 1.00 0.00 C ATOM 531 C ASN A 35 -19.933 -12.191 17.014 1.00 0.00 C ATOM 532 O ASN A 35 -18.862 -11.667 17.250 1.00 0.00 O ATOM 533 CB ASN A 35 -21.856 -11.213 18.310 1.00 0.00 C ATOM 534 CG ASN A 35 -22.370 -10.721 16.957 1.00 0.00 C ATOM 535 OD1 ASN A 35 -21.599 -10.338 16.103 1.00 0.00 O ATOM 536 ND2 ASN A 35 -23.656 -10.714 16.728 1.00 0.00 N ATOM 0 H ASN A 35 -20.161 -11.907 20.036 1.00 0.00 H new ATOM 0 HA ASN A 35 -21.566 -13.298 17.849 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -22.697 -11.465 18.956 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -21.301 -10.417 18.806 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -24.012 -10.386 15.830 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -24.304 -11.036 17.447 1.00 0.00 H new ATOM 543 N PRO A 36 -20.273 -12.578 15.771 1.00 0.00 N ATOM 544 CA PRO A 36 -19.387 -12.398 14.611 1.00 0.00 C ATOM 545 C PRO A 36 -19.115 -10.919 14.324 1.00 0.00 C ATOM 546 O PRO A 36 -17.979 -10.496 14.241 1.00 0.00 O ATOM 547 CB PRO A 36 -20.169 -13.038 13.462 1.00 0.00 C ATOM 548 CG PRO A 36 -21.589 -12.975 13.909 1.00 0.00 C ATOM 549 CD PRO A 36 -21.545 -13.214 15.390 1.00 0.00 C ATOM 0 HA PRO A 36 -18.405 -12.844 14.768 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -20.021 -12.496 12.528 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -19.851 -14.066 13.288 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -22.032 -12.006 13.679 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -22.194 -13.729 13.406 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -22.395 -12.762 15.901 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -21.557 -14.277 15.631 1.00 0.00 H new ATOM 557 N CYS A 37 -20.141 -10.121 14.191 1.00 0.00 N ATOM 558 CA CYS A 37 -19.912 -8.674 13.935 1.00 0.00 C ATOM 559 C CYS A 37 -19.168 -8.091 15.136 1.00 0.00 C ATOM 560 O CYS A 37 -18.417 -7.141 15.018 1.00 0.00 O ATOM 561 CB CYS A 37 -21.256 -7.962 13.754 1.00 0.00 C ATOM 562 SG CYS A 37 -21.006 -6.169 13.815 1.00 0.00 S ATOM 0 H CYS A 37 -21.118 -10.407 14.248 1.00 0.00 H new ATOM 0 HA CYS A 37 -19.324 -8.537 13.028 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -21.704 -8.245 12.801 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -21.950 -8.269 14.536 1.00 0.00 H new ATOM 567 N MET A 38 -19.365 -8.666 16.291 1.00 0.00 N ATOM 568 CA MET A 38 -18.668 -8.169 17.509 1.00 0.00 C ATOM 569 C MET A 38 -17.163 -8.382 17.344 1.00 0.00 C ATOM 570 O MET A 38 -16.362 -7.824 18.067 1.00 0.00 O ATOM 571 CB MET A 38 -19.166 -8.944 18.730 1.00 0.00 C ATOM 572 CG MET A 38 -20.401 -8.250 19.305 1.00 0.00 C ATOM 573 SD MET A 38 -19.944 -6.610 19.919 1.00 0.00 S ATOM 574 CE MET A 38 -18.779 -7.156 21.192 1.00 0.00 C ATOM 0 H MET A 38 -19.983 -9.463 16.443 1.00 0.00 H new ATOM 0 HA MET A 38 -18.874 -7.108 17.647 1.00 0.00 H new ATOM 0 HB2 MET A 38 -19.409 -9.969 18.449 1.00 0.00 H new ATOM 0 HB3 MET A 38 -18.381 -8.998 19.485 1.00 0.00 H new ATOM 0 HG2 MET A 38 -21.171 -8.161 18.538 1.00 0.00 H new ATOM 0 HG3 MET A 38 -20.823 -8.847 20.113 1.00 0.00 H new ATOM 0 HE1 MET A 38 -18.801 -6.458 22.029 1.00 0.00 H new ATOM 0 HE2 MET A 38 -19.060 -8.150 21.540 1.00 0.00 H new ATOM 0 HE3 MET A 38 -17.773 -7.189 20.774 1.00 0.00 H new ATOM 584 N LEU A 39 -16.772 -9.175 16.382 1.00 0.00 N ATOM 585 CA LEU A 39 -15.322 -9.415 16.154 1.00 0.00 C ATOM 586 C LEU A 39 -14.722 -8.149 15.566 1.00 0.00 C ATOM 587 O LEU A 39 -13.911 -7.481 16.176 1.00 0.00 O ATOM 588 CB LEU A 39 -15.152 -10.567 15.160 1.00 0.00 C ATOM 589 CG LEU A 39 -13.698 -10.634 14.690 1.00 0.00 C ATOM 590 CD1 LEU A 39 -12.813 -11.131 15.834 1.00 0.00 C ATOM 591 CD2 LEU A 39 -13.588 -11.596 13.505 1.00 0.00 C ATOM 0 H LEU A 39 -17.398 -9.667 15.744 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.825 -9.672 17.090 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -15.436 -11.509 15.629 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.814 -10.423 14.306 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.370 -9.641 14.383 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.777 -11.179 15.498 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.890 -10.445 16.678 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.140 -12.124 16.142 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.552 -11.644 13.170 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -13.917 -12.589 13.811 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -14.217 -11.241 12.689 1.00 0.00 H new ATOM 603 N CYS A 40 -15.140 -7.805 14.386 1.00 0.00 N ATOM 604 CA CYS A 40 -14.624 -6.566 13.750 1.00 0.00 C ATOM 605 C CYS A 40 -14.733 -5.425 14.760 1.00 0.00 C ATOM 606 O CYS A 40 -13.965 -4.484 14.742 1.00 0.00 O ATOM 607 CB CYS A 40 -15.460 -6.246 12.517 1.00 0.00 C ATOM 608 SG CYS A 40 -14.555 -5.085 11.479 1.00 0.00 S ATOM 0 H CYS A 40 -15.818 -8.328 13.832 1.00 0.00 H new ATOM 0 HA CYS A 40 -13.585 -6.698 13.449 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -15.676 -7.159 11.961 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -16.418 -5.819 12.813 1.00 0.00 H new ATOM 613 N HIS A 41 -15.683 -5.515 15.653 1.00 0.00 N ATOM 614 CA HIS A 41 -15.849 -4.454 16.683 1.00 0.00 C ATOM 615 C HIS A 41 -14.599 -4.411 17.557 1.00 0.00 C ATOM 616 O HIS A 41 -13.890 -3.426 17.594 1.00 0.00 O ATOM 617 CB HIS A 41 -17.062 -4.779 17.555 1.00 0.00 C ATOM 618 CG HIS A 41 -17.410 -3.581 18.396 1.00 0.00 C ATOM 619 ND1 HIS A 41 -18.000 -2.447 17.860 1.00 0.00 N ATOM 620 CD2 HIS A 41 -17.255 -3.325 19.736 1.00 0.00 C ATOM 621 CE1 HIS A 41 -18.178 -1.570 18.864 1.00 0.00 C ATOM 622 NE2 HIS A 41 -17.740 -2.054 20.029 1.00 0.00 N ATOM 0 H HIS A 41 -16.353 -6.282 15.711 1.00 0.00 H new ATOM 0 HA HIS A 41 -15.997 -3.489 16.198 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -17.910 -5.056 16.929 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -16.845 -5.635 18.194 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -18.253 -2.304 16.882 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -16.822 -4.006 20.454 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -18.621 -0.593 18.743 1.00 0.00 H new ATOM 630 N GLU A 42 -14.316 -5.478 18.254 1.00 0.00 N ATOM 631 CA GLU A 42 -13.103 -5.491 19.112 1.00 0.00 C ATOM 632 C GLU A 42 -11.884 -5.245 18.228 1.00 0.00 C ATOM 633 O GLU A 42 -10.828 -4.857 18.691 1.00 0.00 O ATOM 634 CB GLU A 42 -12.974 -6.851 19.803 1.00 0.00 C ATOM 635 CG GLU A 42 -11.906 -6.770 20.896 1.00 0.00 C ATOM 636 CD GLU A 42 -11.832 -8.107 21.635 1.00 0.00 C ATOM 637 OE1 GLU A 42 -12.709 -8.928 21.424 1.00 0.00 O ATOM 638 OE2 GLU A 42 -10.898 -8.287 22.401 1.00 0.00 O ATOM 0 H GLU A 42 -14.870 -6.335 18.265 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.175 -4.715 19.874 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.931 -7.143 20.236 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.707 -7.617 19.075 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.938 -6.531 20.456 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.145 -5.969 21.595 1.00 0.00 H new ATOM 645 N ASN A 43 -12.029 -5.455 16.947 1.00 0.00 N ATOM 646 CA ASN A 43 -10.888 -5.224 16.021 1.00 0.00 C ATOM 647 C ASN A 43 -10.753 -3.722 15.770 1.00 0.00 C ATOM 648 O ASN A 43 -9.676 -3.214 15.536 1.00 0.00 O ATOM 649 CB ASN A 43 -11.146 -5.944 14.696 1.00 0.00 C ATOM 650 CG ASN A 43 -11.073 -7.457 14.915 1.00 0.00 C ATOM 651 OD1 ASN A 43 -10.502 -7.916 15.885 1.00 0.00 O ATOM 652 ND2 ASN A 43 -11.632 -8.257 14.049 1.00 0.00 N ATOM 0 H ASN A 43 -12.889 -5.777 16.504 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.970 -5.610 16.463 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.126 -5.669 14.305 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.409 -5.637 13.954 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.590 -9.267 14.186 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.111 -7.873 13.235 1.00 0.00 H new ATOM 659 N LEU A 44 -11.843 -3.005 15.830 1.00 0.00 N ATOM 660 CA LEU A 44 -11.782 -1.534 15.608 1.00 0.00 C ATOM 661 C LEU A 44 -11.126 -0.878 16.823 1.00 0.00 C ATOM 662 O LEU A 44 -10.507 0.162 16.723 1.00 0.00 O ATOM 663 CB LEU A 44 -13.199 -0.984 15.429 1.00 0.00 C ATOM 664 CG LEU A 44 -13.129 0.512 15.112 1.00 0.00 C ATOM 665 CD1 LEU A 44 -12.101 0.753 14.004 1.00 0.00 C ATOM 666 CD2 LEU A 44 -14.503 1.000 14.647 1.00 0.00 C ATOM 0 H LEU A 44 -12.773 -3.376 16.023 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.200 -1.318 14.712 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -13.707 -1.514 14.623 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.781 -1.148 16.336 1.00 0.00 H new ATOM 0 HG LEU A 44 -12.832 1.058 16.007 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.052 1.818 13.779 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -11.122 0.406 14.334 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -12.396 0.206 13.109 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -14.454 2.065 14.421 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -14.800 0.453 13.752 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -15.236 0.830 15.436 1.00 0.00 H new ATOM 678 N ILE A 45 -11.248 -1.488 17.972 1.00 0.00 N ATOM 679 CA ILE A 45 -10.623 -0.910 19.194 1.00 0.00 C ATOM 680 C ILE A 45 -9.133 -1.257 19.200 1.00 0.00 C ATOM 681 O ILE A 45 -8.288 -0.405 19.384 1.00 0.00 O ATOM 682 CB ILE A 45 -11.285 -1.495 20.445 1.00 0.00 C ATOM 683 CG1 ILE A 45 -12.787 -1.658 20.204 1.00 0.00 C ATOM 684 CG2 ILE A 45 -11.059 -0.555 21.629 1.00 0.00 C ATOM 685 CD1 ILE A 45 -13.471 -2.054 21.516 1.00 0.00 C ATOM 0 H ILE A 45 -11.754 -2.362 18.116 1.00 0.00 H new ATOM 0 HA ILE A 45 -10.755 0.172 19.194 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.846 -2.468 20.663 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -13.210 -0.727 19.827 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -12.964 -2.419 19.444 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -11.530 -0.971 22.519 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.989 -0.441 21.804 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.496 0.419 21.409 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -14.542 -2.171 21.347 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -13.055 -2.996 21.873 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -13.304 -1.277 22.262 1.00 0.00 H new ATOM 697 N ARG A 46 -8.806 -2.505 18.994 1.00 0.00 N ATOM 698 CA ARG A 46 -7.372 -2.907 18.982 1.00 0.00 C ATOM 699 C ARG A 46 -6.766 -2.577 17.618 1.00 0.00 C ATOM 700 O ARG A 46 -5.603 -2.243 17.509 1.00 0.00 O ATOM 701 CB ARG A 46 -7.259 -4.413 19.239 1.00 0.00 C ATOM 702 CG ARG A 46 -7.740 -4.726 20.656 1.00 0.00 C ATOM 703 CD ARG A 46 -7.475 -6.201 20.972 1.00 0.00 C ATOM 704 NE ARG A 46 -8.097 -6.549 22.280 1.00 0.00 N ATOM 705 CZ ARG A 46 -7.403 -7.185 23.185 1.00 0.00 C ATOM 706 NH1 ARG A 46 -6.412 -7.954 22.828 1.00 0.00 N ATOM 707 NH2 ARG A 46 -7.701 -7.049 24.449 1.00 0.00 N ATOM 0 H ARG A 46 -9.471 -3.262 18.834 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.836 -2.366 19.762 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.856 -4.963 18.511 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.226 -4.737 19.114 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.223 -4.091 21.375 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.804 -4.509 20.746 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.885 -6.832 20.183 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.402 -6.389 21.006 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.065 -6.290 22.469 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.178 -8.059 21.841 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.871 -8.450 23.536 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.475 -6.447 24.729 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.160 -7.545 25.157 1.00 0.00 H new ATOM 721 N GLN A 47 -7.548 -2.665 16.577 1.00 0.00 N ATOM 722 CA GLN A 47 -7.021 -2.355 15.218 1.00 0.00 C ATOM 723 C GLN A 47 -5.908 -3.342 14.861 1.00 0.00 C ATOM 724 O GLN A 47 -4.935 -2.991 14.223 1.00 0.00 O ATOM 725 CB GLN A 47 -6.466 -0.929 15.201 1.00 0.00 C ATOM 726 CG GLN A 47 -7.602 0.060 15.473 1.00 0.00 C ATOM 727 CD GLN A 47 -7.054 1.488 15.438 1.00 0.00 C ATOM 728 OE1 GLN A 47 -5.858 1.694 15.491 1.00 0.00 O ATOM 729 NE2 GLN A 47 -7.885 2.491 15.352 1.00 0.00 N ATOM 0 H GLN A 47 -8.530 -2.938 16.609 1.00 0.00 H new ATOM 0 HA GLN A 47 -7.826 -2.441 14.488 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.686 -0.821 15.955 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -6.007 -0.717 14.235 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.388 -0.058 14.727 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -8.052 -0.145 16.444 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.889 2.319 15.307 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -7.530 3.447 15.329 1.00 0.00 H new ATOM 738 N THR A 48 -6.044 -4.576 15.263 1.00 0.00 N ATOM 739 CA THR A 48 -4.995 -5.585 14.943 1.00 0.00 C ATOM 740 C THR A 48 -5.398 -6.364 13.688 1.00 0.00 C ATOM 741 O THR A 48 -4.710 -7.273 13.265 1.00 0.00 O ATOM 742 CB THR A 48 -4.844 -6.555 16.117 1.00 0.00 C ATOM 743 OG1 THR A 48 -6.045 -7.299 16.272 1.00 0.00 O ATOM 744 CG2 THR A 48 -4.558 -5.770 17.398 1.00 0.00 C ATOM 0 H THR A 48 -6.836 -4.929 15.799 1.00 0.00 H new ATOM 0 HA THR A 48 -4.047 -5.077 14.766 1.00 0.00 H new ATOM 0 HB THR A 48 -4.017 -7.237 15.921 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.972 -8.144 15.782 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.451 -6.463 18.233 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.636 -5.201 17.278 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.383 -5.086 17.598 1.00 0.00 H new ATOM 752 N ASN A 49 -6.505 -6.018 13.090 1.00 0.00 N ATOM 753 CA ASN A 49 -6.948 -6.742 11.864 1.00 0.00 C ATOM 754 C ASN A 49 -7.104 -8.231 12.180 1.00 0.00 C ATOM 755 O ASN A 49 -6.525 -9.078 11.529 1.00 0.00 O ATOM 756 CB ASN A 49 -5.903 -6.561 10.759 1.00 0.00 C ATOM 757 CG ASN A 49 -5.687 -5.068 10.504 1.00 0.00 C ATOM 758 OD1 ASN A 49 -4.573 -4.585 10.563 1.00 0.00 O ATOM 759 ND2 ASN A 49 -6.712 -4.311 10.219 1.00 0.00 N ATOM 0 H ASN A 49 -7.122 -5.266 13.397 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.904 -6.339 11.529 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.964 -7.031 11.051 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.235 -7.053 9.845 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.578 -3.315 10.046 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.647 -4.716 10.169 1.00 0.00 H new ATOM 766 N THR A 50 -7.882 -8.556 13.176 1.00 0.00 N ATOM 767 CA THR A 50 -8.072 -9.991 13.533 1.00 0.00 C ATOM 768 C THR A 50 -9.087 -10.628 12.583 1.00 0.00 C ATOM 769 O THR A 50 -10.047 -10.006 12.175 1.00 0.00 O ATOM 770 CB THR A 50 -8.593 -10.097 14.969 1.00 0.00 C ATOM 771 OG1 THR A 50 -7.716 -9.400 15.841 1.00 0.00 O ATOM 772 CG2 THR A 50 -8.664 -11.571 15.381 1.00 0.00 C ATOM 0 H THR A 50 -8.393 -7.892 13.757 1.00 0.00 H new ATOM 0 HA THR A 50 -7.117 -10.510 13.449 1.00 0.00 H new ATOM 0 HB THR A 50 -9.589 -9.658 15.029 1.00 0.00 H new ATOM 0 HG1 THR A 50 -8.049 -9.465 16.760 1.00 0.00 H new ATOM 0 HG21 THR A 50 -9.035 -11.646 16.403 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.338 -12.104 14.711 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.670 -12.013 15.323 1.00 0.00 H new ATOM 780 N HIS A 51 -8.885 -11.868 12.235 1.00 0.00 N ATOM 781 CA HIS A 51 -9.840 -12.549 11.319 1.00 0.00 C ATOM 782 C HIS A 51 -10.458 -13.745 12.043 1.00 0.00 C ATOM 783 O HIS A 51 -10.069 -14.086 13.141 1.00 0.00 O ATOM 784 CB HIS A 51 -9.096 -13.036 10.075 1.00 0.00 C ATOM 785 CG HIS A 51 -8.125 -11.979 9.625 1.00 0.00 C ATOM 786 ND1 HIS A 51 -6.762 -11.871 9.753 1.00 0.00 N flip ATOM 787 CD2 HIS A 51 -8.532 -10.844 8.942 1.00 0.00 C flip ATOM 788 CE1 HIS A 51 -6.329 -10.689 9.160 1.00 0.00 C flip ATOM 789 NE2 HIS A 51 -7.435 -10.109 8.688 1.00 0.00 N flip ATOM 0 H HIS A 51 -8.099 -12.439 12.546 1.00 0.00 H new ATOM 0 HA HIS A 51 -10.624 -11.853 11.021 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -8.565 -13.962 10.295 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -9.805 -13.257 9.277 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -6.159 -12.553 10.213 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -9.546 -10.595 8.664 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -5.316 -10.320 9.095 1.00 0.00 H new ATOM 797 N ILE A 52 -11.418 -14.387 11.438 1.00 0.00 N ATOM 798 CA ILE A 52 -12.053 -15.560 12.099 1.00 0.00 C ATOM 799 C ILE A 52 -11.220 -16.812 11.825 1.00 0.00 C ATOM 800 O ILE A 52 -10.963 -17.166 10.691 1.00 0.00 O ATOM 801 CB ILE A 52 -13.462 -15.761 11.546 1.00 0.00 C ATOM 802 CG1 ILE A 52 -14.272 -14.475 11.733 1.00 0.00 C ATOM 803 CG2 ILE A 52 -14.136 -16.908 12.300 1.00 0.00 C ATOM 804 CD1 ILE A 52 -15.750 -14.759 11.459 1.00 0.00 C ATOM 0 H ILE A 52 -11.789 -14.151 10.518 1.00 0.00 H new ATOM 0 HA ILE A 52 -12.106 -15.383 13.173 1.00 0.00 H new ATOM 0 HB ILE A 52 -13.411 -16.002 10.484 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -14.145 -14.097 12.747 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -13.908 -13.702 11.057 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -15.143 -17.057 11.910 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -13.556 -17.821 12.167 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -14.190 -16.664 13.361 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -16.327 -13.844 11.592 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -15.868 -15.117 10.436 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -16.109 -15.519 12.153 1.00 0.00 H new ATOM 816 N ARG A 53 -10.798 -17.486 12.856 1.00 0.00 N ATOM 817 CA ARG A 53 -9.985 -18.718 12.664 1.00 0.00 C ATOM 818 C ARG A 53 -10.910 -19.883 12.321 1.00 0.00 C ATOM 819 O ARG A 53 -10.630 -20.679 11.448 1.00 0.00 O ATOM 820 CB ARG A 53 -9.231 -19.033 13.957 1.00 0.00 C ATOM 821 CG ARG A 53 -8.427 -20.320 13.776 1.00 0.00 C ATOM 822 CD ARG A 53 -7.693 -20.652 15.076 1.00 0.00 C ATOM 823 NE ARG A 53 -6.806 -21.828 14.858 1.00 0.00 N ATOM 824 CZ ARG A 53 -5.777 -21.731 14.060 1.00 0.00 C ATOM 825 NH1 ARG A 53 -5.389 -20.560 13.633 1.00 0.00 N ATOM 826 NH2 ARG A 53 -5.137 -22.805 13.689 1.00 0.00 N ATOM 0 H ARG A 53 -10.982 -17.236 13.828 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.272 -18.565 11.854 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.565 -18.209 14.213 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.934 -19.143 14.783 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.091 -21.140 13.501 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.712 -20.203 12.962 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.105 -19.795 15.403 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.411 -20.866 15.867 1.00 0.00 H new ATOM 0 HE ARG A 53 -7.002 -22.710 15.332 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.890 -19.720 13.923 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.585 -20.485 13.010 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.440 -23.720 14.022 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.333 -22.730 13.066 1.00 0.00 H new ATOM 840 N SER A 54 -12.011 -19.984 13.007 1.00 0.00 N ATOM 841 CA SER A 54 -12.968 -21.090 12.730 1.00 0.00 C ATOM 842 C SER A 54 -14.341 -20.711 13.282 1.00 0.00 C ATOM 843 O SER A 54 -14.456 -19.918 14.195 1.00 0.00 O ATOM 844 CB SER A 54 -12.479 -22.372 13.408 1.00 0.00 C ATOM 845 OG SER A 54 -13.025 -23.498 12.738 1.00 0.00 O ATOM 0 H SER A 54 -12.292 -19.346 13.751 1.00 0.00 H new ATOM 0 HA SER A 54 -13.037 -21.257 11.655 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.390 -22.415 13.387 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.778 -22.379 14.456 1.00 0.00 H new ATOM 0 HG SER A 54 -12.711 -24.320 13.170 1.00 0.00 H new ATOM 851 N THR A 55 -15.385 -21.269 12.737 1.00 0.00 N ATOM 852 CA THR A 55 -16.748 -20.932 13.235 1.00 0.00 C ATOM 853 C THR A 55 -16.965 -21.578 14.604 1.00 0.00 C ATOM 854 O THR A 55 -16.681 -22.742 14.805 1.00 0.00 O ATOM 855 CB THR A 55 -17.797 -21.450 12.249 1.00 0.00 C ATOM 856 OG1 THR A 55 -17.858 -22.868 12.325 1.00 0.00 O ATOM 857 CG2 THR A 55 -17.417 -21.028 10.829 1.00 0.00 C ATOM 0 H THR A 55 -15.355 -21.942 11.971 1.00 0.00 H new ATOM 0 HA THR A 55 -16.844 -19.850 13.327 1.00 0.00 H new ATOM 0 HB THR A 55 -18.771 -21.031 12.501 1.00 0.00 H new ATOM 0 HG1 THR A 55 -17.377 -23.174 13.122 1.00 0.00 H new ATOM 0 HG21 THR A 55 -18.165 -21.397 10.127 1.00 0.00 H new ATOM 0 HG22 THR A 55 -17.372 -19.940 10.772 1.00 0.00 H new ATOM 0 HG23 THR A 55 -16.443 -21.445 10.574 1.00 0.00 H new ATOM 865 N GLY A 56 -17.465 -20.828 15.546 1.00 0.00 N ATOM 866 CA GLY A 56 -17.698 -21.391 16.905 1.00 0.00 C ATOM 867 C GLY A 56 -16.546 -20.993 17.824 1.00 0.00 C ATOM 868 O GLY A 56 -15.499 -20.564 17.379 1.00 0.00 O ATOM 0 H GLY A 56 -17.723 -19.848 15.433 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.642 -21.022 17.306 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -17.777 -22.477 16.852 1.00 0.00 H new ATOM 872 N LYS A 57 -16.733 -21.131 19.103 1.00 0.00 N ATOM 873 CA LYS A 57 -15.653 -20.762 20.060 1.00 0.00 C ATOM 874 C LYS A 57 -14.360 -21.481 19.669 1.00 0.00 C ATOM 875 O LYS A 57 -14.381 -22.576 19.143 1.00 0.00 O ATOM 876 CB LYS A 57 -16.062 -21.180 21.474 1.00 0.00 C ATOM 877 CG LYS A 57 -15.073 -20.599 22.488 1.00 0.00 C ATOM 878 CD LYS A 57 -15.316 -21.235 23.858 1.00 0.00 C ATOM 879 CE LYS A 57 -14.475 -20.515 24.914 1.00 0.00 C ATOM 880 NZ LYS A 57 -14.422 -21.341 26.154 1.00 0.00 N ATOM 0 H LYS A 57 -17.589 -21.484 19.531 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.493 -19.684 20.032 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -17.070 -20.827 21.691 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -16.081 -22.267 21.551 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.050 -20.788 22.164 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.193 -19.517 22.551 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.373 -21.174 24.116 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.056 -22.293 23.830 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.467 -20.342 24.536 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.905 -19.538 25.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.850 -20.852 26.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -15.386 -21.484 26.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.993 -22.263 25.939 1.00 0.00 H new ATOM 894 N CYS A 58 -13.234 -20.873 19.922 1.00 0.00 N ATOM 895 CA CYS A 58 -11.939 -21.521 19.566 1.00 0.00 C ATOM 896 C CYS A 58 -11.873 -22.908 20.206 1.00 0.00 C ATOM 897 O CYS A 58 -11.191 -23.792 19.729 1.00 0.00 O ATOM 898 CB CYS A 58 -10.782 -20.667 20.088 1.00 0.00 C ATOM 899 SG CYS A 58 -10.675 -19.136 19.128 1.00 0.00 S ATOM 0 H CYS A 58 -13.154 -19.955 20.360 1.00 0.00 H new ATOM 0 HA CYS A 58 -11.864 -21.614 18.483 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -10.934 -20.437 21.143 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -9.846 -21.221 20.014 1.00 0.00 H new