USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 400 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 18 HIS HE2 : A 18 HIS NE2 : A 181 ZNZN :(H bumps) USER MOD Set 1.1: A 38 LYS NZ :NH3+ 169:sc= 0.101 (180deg=0) USER MOD Set 1.2: A 40 SER OG : rot -170:sc= 0.101 USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0771 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.00437 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0891 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc=-0.00212 USER MOD Single : A 9 THR OG1 : rot -21:sc= 0.096! USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -1.76! C(o=-1.8!,f=-1.3!) USER MOD Single : A 25 THR OG1 : rot -59:sc= 1.2 USER MOD Single : A 26 ASN : amide:sc= -0.85! K(o=-0.85!,f=-1.4) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0.432 K(o=0.43,f=-2.3!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -161:sc= -0.0261 (180deg=-0.218) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -1.22 K(o=-1.2,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.441 -3.004 11.391 1.00 0.00 N ATOM 2 CA GLY A 1 -11.666 -3.782 11.400 1.00 0.00 C ATOM 3 C GLY A 1 -11.467 -5.183 10.858 1.00 0.00 C ATOM 4 O GLY A 1 -10.341 -5.676 10.792 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.262 -2.628 12.344 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.647 -3.610 11.103 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.535 -2.215 10.720 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.048 -3.841 12.419 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.422 -3.270 10.805 1.00 0.00 H new ATOM 8 N SER A 2 -12.563 -5.828 10.471 1.00 0.00 N ATOM 9 CA SER A 2 -12.503 -7.184 9.937 1.00 0.00 C ATOM 10 C SER A 2 -11.522 -7.267 8.772 1.00 0.00 C ATOM 11 O SER A 2 -10.614 -8.098 8.769 1.00 0.00 O ATOM 12 CB SER A 2 -13.892 -7.636 9.481 1.00 0.00 C ATOM 13 OG SER A 2 -13.852 -8.950 8.952 1.00 0.00 O ATOM 0 H SER A 2 -13.503 -5.434 10.517 1.00 0.00 H new ATOM 0 HA SER A 2 -12.154 -7.845 10.730 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.584 -7.600 10.322 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.272 -6.948 8.726 1.00 0.00 H new ATOM 0 HG SER A 2 -14.752 -9.216 8.669 1.00 0.00 H new ATOM 19 N SER A 3 -11.711 -6.399 7.784 1.00 0.00 N ATOM 20 CA SER A 3 -10.845 -6.375 6.611 1.00 0.00 C ATOM 21 C SER A 3 -9.616 -5.506 6.860 1.00 0.00 C ATOM 22 O SER A 3 -9.514 -4.835 7.886 1.00 0.00 O ATOM 23 CB SER A 3 -11.613 -5.856 5.394 1.00 0.00 C ATOM 24 OG SER A 3 -12.259 -4.628 5.685 1.00 0.00 O ATOM 0 H SER A 3 -12.456 -5.703 7.772 1.00 0.00 H new ATOM 0 HA SER A 3 -10.513 -7.395 6.414 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.927 -5.721 4.558 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.352 -6.595 5.084 1.00 0.00 H new ATOM 0 HG SER A 3 -12.742 -4.316 4.891 1.00 0.00 H new ATOM 30 N GLY A 4 -8.684 -5.523 5.911 1.00 0.00 N ATOM 31 CA GLY A 4 -7.474 -4.734 6.046 1.00 0.00 C ATOM 32 C GLY A 4 -7.762 -3.252 6.187 1.00 0.00 C ATOM 33 O GLY A 4 -7.606 -2.683 7.267 1.00 0.00 O ATOM 0 H GLY A 4 -8.746 -6.069 5.052 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.915 -5.077 6.917 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.839 -4.897 5.175 1.00 0.00 H new ATOM 37 N SER A 5 -8.181 -2.625 5.093 1.00 0.00 N ATOM 38 CA SER A 5 -8.485 -1.199 5.098 1.00 0.00 C ATOM 39 C SER A 5 -9.850 -0.932 4.470 1.00 0.00 C ATOM 40 O SER A 5 -10.449 -1.818 3.860 1.00 0.00 O ATOM 41 CB SER A 5 -7.404 -0.422 4.344 1.00 0.00 C ATOM 42 OG SER A 5 -7.563 0.975 4.519 1.00 0.00 O ATOM 0 H SER A 5 -8.318 -3.082 4.191 1.00 0.00 H new ATOM 0 HA SER A 5 -8.509 -0.862 6.134 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.419 -0.726 4.699 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.450 -0.666 3.283 1.00 0.00 H new ATOM 0 HG SER A 5 -6.859 1.448 4.029 1.00 0.00 H new ATOM 48 N SER A 6 -10.336 0.295 4.625 1.00 0.00 N ATOM 49 CA SER A 6 -11.632 0.679 4.077 1.00 0.00 C ATOM 50 C SER A 6 -11.739 0.284 2.607 1.00 0.00 C ATOM 51 O SER A 6 -12.766 -0.226 2.163 1.00 0.00 O ATOM 52 CB SER A 6 -11.847 2.186 4.229 1.00 0.00 C ATOM 53 OG SER A 6 -13.187 2.542 3.934 1.00 0.00 O ATOM 0 H SER A 6 -9.852 1.041 5.125 1.00 0.00 H new ATOM 0 HA SER A 6 -12.406 0.151 4.634 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.602 2.491 5.246 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.170 2.722 3.564 1.00 0.00 H new ATOM 0 HG SER A 6 -13.299 3.510 4.040 1.00 0.00 H new ATOM 59 N GLY A 7 -10.668 0.525 1.857 1.00 0.00 N ATOM 60 CA GLY A 7 -10.661 0.190 0.445 1.00 0.00 C ATOM 61 C GLY A 7 -10.991 -1.268 0.194 1.00 0.00 C ATOM 62 O GLY A 7 -10.118 -2.132 0.272 1.00 0.00 O ATOM 0 H GLY A 7 -9.805 0.946 2.202 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.382 0.818 -0.078 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.680 0.415 0.026 1.00 0.00 H new ATOM 66 N TYR A 8 -12.256 -1.543 -0.107 1.00 0.00 N ATOM 67 CA TYR A 8 -12.700 -2.908 -0.366 1.00 0.00 C ATOM 68 C TYR A 8 -11.862 -3.555 -1.464 1.00 0.00 C ATOM 69 O TYR A 8 -11.002 -2.911 -2.066 1.00 0.00 O ATOM 70 CB TYR A 8 -14.177 -2.918 -0.763 1.00 0.00 C ATOM 71 CG TYR A 8 -14.405 -2.763 -2.250 1.00 0.00 C ATOM 72 CD1 TYR A 8 -14.425 -3.871 -3.089 1.00 0.00 C ATOM 73 CD2 TYR A 8 -14.600 -1.509 -2.816 1.00 0.00 C ATOM 74 CE1 TYR A 8 -14.632 -3.734 -4.448 1.00 0.00 C ATOM 75 CE2 TYR A 8 -14.809 -1.363 -4.174 1.00 0.00 C ATOM 76 CZ TYR A 8 -14.824 -2.478 -4.985 1.00 0.00 C ATOM 77 OH TYR A 8 -15.031 -2.337 -6.338 1.00 0.00 O ATOM 0 H TYR A 8 -12.991 -0.839 -0.178 1.00 0.00 H new ATOM 0 HA TYR A 8 -12.572 -3.485 0.550 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -14.628 -3.853 -0.430 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -14.691 -2.112 -0.239 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.276 -4.856 -2.671 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -14.588 -0.634 -2.184 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -14.643 -4.605 -5.086 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -14.960 -0.381 -4.598 1.00 0.00 H new ATOM 0 HH TYR A 8 -15.150 -1.388 -6.554 1.00 0.00 H new ATOM 87 N THR A 9 -12.119 -4.834 -1.719 1.00 0.00 N ATOM 88 CA THR A 9 -11.389 -5.570 -2.744 1.00 0.00 C ATOM 89 C THR A 9 -12.118 -6.854 -3.123 1.00 0.00 C ATOM 90 O THR A 9 -12.904 -7.388 -2.340 1.00 0.00 O ATOM 91 CB THR A 9 -9.964 -5.921 -2.276 1.00 0.00 C ATOM 92 OG1 THR A 9 -9.315 -4.752 -1.764 1.00 0.00 O ATOM 93 CG2 THR A 9 -9.147 -6.502 -3.419 1.00 0.00 C ATOM 0 H THR A 9 -12.827 -5.382 -1.230 1.00 0.00 H new ATOM 0 HA THR A 9 -11.327 -4.920 -3.616 1.00 0.00 H new ATOM 0 HB THR A 9 -10.038 -6.669 -1.487 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.752 -3.952 -2.123 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.145 -6.742 -3.064 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.629 -7.408 -3.787 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.081 -5.773 -4.227 1.00 0.00 H new ATOM 101 N CYS A 10 -11.853 -7.346 -4.328 1.00 0.00 N ATOM 102 CA CYS A 10 -12.483 -8.568 -4.812 1.00 0.00 C ATOM 103 C CYS A 10 -12.273 -9.715 -3.827 1.00 0.00 C ATOM 104 O CYS A 10 -11.149 -10.177 -3.626 1.00 0.00 O ATOM 105 CB CYS A 10 -11.922 -8.949 -6.183 1.00 0.00 C ATOM 106 SG CYS A 10 -12.541 -10.537 -6.825 1.00 0.00 S ATOM 0 H CYS A 10 -11.205 -6.916 -4.988 1.00 0.00 H new ATOM 0 HA CYS A 10 -13.553 -8.383 -4.905 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -12.167 -8.161 -6.895 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.835 -8.994 -6.119 1.00 0.00 H new ATOM 111 N PHE A 11 -13.361 -10.171 -3.216 1.00 0.00 N ATOM 112 CA PHE A 11 -13.297 -11.263 -2.252 1.00 0.00 C ATOM 113 C PHE A 11 -13.107 -12.602 -2.959 1.00 0.00 C ATOM 114 O PHE A 11 -12.931 -13.636 -2.316 1.00 0.00 O ATOM 115 CB PHE A 11 -14.569 -11.297 -1.403 1.00 0.00 C ATOM 116 CG PHE A 11 -14.508 -12.286 -0.273 1.00 0.00 C ATOM 117 CD1 PHE A 11 -13.618 -12.108 0.774 1.00 0.00 C ATOM 118 CD2 PHE A 11 -15.342 -13.392 -0.258 1.00 0.00 C ATOM 119 CE1 PHE A 11 -13.560 -13.016 1.814 1.00 0.00 C ATOM 120 CE2 PHE A 11 -15.289 -14.304 0.779 1.00 0.00 C ATOM 121 CZ PHE A 11 -14.397 -14.115 1.817 1.00 0.00 C ATOM 0 H PHE A 11 -14.299 -9.801 -3.372 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.439 -11.091 -1.602 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.751 -10.303 -0.996 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -15.417 -11.540 -2.043 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -12.962 -11.250 0.777 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -16.042 -13.543 -1.066 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -12.861 -12.867 2.624 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -15.944 -15.163 0.778 1.00 0.00 H new ATOM 0 HZ PHE A 11 -14.354 -14.825 2.629 1.00 0.00 H new ATOM 131 N ARG A 12 -13.146 -12.573 -4.288 1.00 0.00 N ATOM 132 CA ARG A 12 -12.981 -13.784 -5.083 1.00 0.00 C ATOM 133 C ARG A 12 -11.508 -14.174 -5.180 1.00 0.00 C ATOM 134 O ARG A 12 -11.093 -15.209 -4.659 1.00 0.00 O ATOM 135 CB ARG A 12 -13.560 -13.582 -6.484 1.00 0.00 C ATOM 136 CG ARG A 12 -13.965 -14.878 -7.168 1.00 0.00 C ATOM 137 CD ARG A 12 -14.717 -14.613 -8.463 1.00 0.00 C ATOM 138 NE ARG A 12 -14.829 -15.814 -9.286 1.00 0.00 N ATOM 139 CZ ARG A 12 -15.630 -16.832 -8.995 1.00 0.00 C ATOM 140 NH1 ARG A 12 -16.385 -16.795 -7.906 1.00 0.00 N ATOM 141 NH2 ARG A 12 -15.677 -17.891 -9.793 1.00 0.00 N ATOM 0 H ARG A 12 -13.290 -11.725 -4.836 1.00 0.00 H new ATOM 0 HA ARG A 12 -13.521 -14.591 -4.587 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.430 -12.929 -6.418 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -12.823 -13.070 -7.102 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.076 -15.473 -7.377 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.591 -15.465 -6.496 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.714 -14.237 -8.233 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -14.205 -13.834 -9.027 1.00 0.00 H new ATOM 0 HE ARG A 12 -14.261 -15.874 -10.131 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -16.351 -15.983 -7.289 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -17.000 -17.578 -7.685 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -15.097 -17.924 -10.632 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -16.293 -18.672 -9.568 1.00 0.00 H new ATOM 155 N CYS A 13 -10.724 -13.338 -5.853 1.00 0.00 N ATOM 156 CA CYS A 13 -9.299 -13.594 -6.020 1.00 0.00 C ATOM 157 C CYS A 13 -8.478 -12.776 -5.027 1.00 0.00 C ATOM 158 O CYS A 13 -7.437 -13.223 -4.549 1.00 0.00 O ATOM 159 CB CYS A 13 -8.865 -13.265 -7.450 1.00 0.00 C ATOM 160 SG CYS A 13 -8.983 -11.497 -7.874 1.00 0.00 S ATOM 0 H CYS A 13 -11.052 -12.477 -6.291 1.00 0.00 H new ATOM 0 HA CYS A 13 -9.121 -14.652 -5.827 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.835 -13.594 -7.591 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -9.480 -13.836 -8.146 1.00 0.00 H new ATOM 165 N GLY A 14 -8.957 -11.574 -4.720 1.00 0.00 N ATOM 166 CA GLY A 14 -8.256 -10.713 -3.786 1.00 0.00 C ATOM 167 C GLY A 14 -7.487 -9.607 -4.481 1.00 0.00 C ATOM 168 O GLY A 14 -6.370 -9.274 -4.085 1.00 0.00 O ATOM 0 H GLY A 14 -9.818 -11.182 -5.102 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.974 -10.273 -3.094 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.566 -11.312 -3.192 1.00 0.00 H new ATOM 172 N LYS A 15 -8.084 -9.038 -5.522 1.00 0.00 N ATOM 173 CA LYS A 15 -7.449 -7.964 -6.276 1.00 0.00 C ATOM 174 C LYS A 15 -8.370 -6.752 -6.378 1.00 0.00 C ATOM 175 O LYS A 15 -9.551 -6.866 -6.706 1.00 0.00 O ATOM 176 CB LYS A 15 -7.071 -8.450 -7.677 1.00 0.00 C ATOM 177 CG LYS A 15 -5.910 -9.429 -7.689 1.00 0.00 C ATOM 178 CD LYS A 15 -4.578 -8.712 -7.837 1.00 0.00 C ATOM 179 CE LYS A 15 -4.185 -8.563 -9.299 1.00 0.00 C ATOM 180 NZ LYS A 15 -2.798 -8.044 -9.450 1.00 0.00 N ATOM 0 H LYS A 15 -9.008 -9.303 -5.863 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.545 -7.667 -5.745 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.939 -8.924 -8.135 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.815 -7.589 -8.294 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.912 -10.008 -6.766 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.037 -10.136 -8.509 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.640 -7.727 -7.374 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.804 -9.266 -7.306 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.268 -9.529 -9.798 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.882 -7.887 -9.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.568 -7.957 -10.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.725 -7.111 -8.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.130 -8.701 -8.999 1.00 0.00 H new ATOM 194 N PRO A 16 -7.819 -5.563 -6.092 1.00 0.00 N ATOM 195 CA PRO A 16 -8.573 -4.307 -6.146 1.00 0.00 C ATOM 196 C PRO A 16 -8.931 -3.908 -7.574 1.00 0.00 C ATOM 197 O PRO A 16 -8.568 -4.591 -8.530 1.00 0.00 O ATOM 198 CB PRO A 16 -7.610 -3.288 -5.531 1.00 0.00 C ATOM 199 CG PRO A 16 -6.254 -3.860 -5.764 1.00 0.00 C ATOM 200 CD PRO A 16 -6.417 -5.353 -5.693 1.00 0.00 C ATOM 0 HA PRO A 16 -9.527 -4.381 -5.624 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.714 -2.311 -6.002 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.805 -3.151 -4.467 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.864 -3.556 -6.735 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.548 -3.508 -5.012 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.727 -5.865 -6.364 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.224 -5.731 -4.689 1.00 0.00 H new ATOM 208 N GLY A 17 -9.646 -2.795 -7.711 1.00 0.00 N ATOM 209 CA GLY A 17 -10.041 -2.324 -9.025 1.00 0.00 C ATOM 210 C GLY A 17 -11.343 -2.943 -9.496 1.00 0.00 C ATOM 211 O GLY A 17 -12.049 -2.366 -10.324 1.00 0.00 O ATOM 0 H GLY A 17 -9.958 -2.211 -6.935 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.145 -1.239 -9.003 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.253 -2.554 -9.742 1.00 0.00 H new ATOM 215 N HIS A 18 -11.660 -4.121 -8.969 1.00 0.00 N ATOM 216 CA HIS A 18 -12.886 -4.819 -9.342 1.00 0.00 C ATOM 217 C HIS A 18 -13.457 -5.586 -8.153 1.00 0.00 C ATOM 218 O HIS A 18 -12.745 -5.885 -7.194 1.00 0.00 O ATOM 219 CB HIS A 18 -12.618 -5.780 -10.501 1.00 0.00 C ATOM 220 CG HIS A 18 -11.824 -6.987 -10.108 1.00 0.00 C ATOM 221 ND1 HIS A 18 -10.449 -7.044 -10.196 1.00 0.00 N ATOM 222 CD2 HIS A 18 -12.219 -8.187 -9.622 1.00 0.00 C ATOM 223 CE1 HIS A 18 -10.033 -8.228 -9.781 1.00 0.00 C ATOM 224 NE2 HIS A 18 -11.087 -8.940 -9.427 1.00 0.00 N ATOM 0 H HIS A 18 -11.086 -4.612 -8.283 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.617 -4.075 -9.658 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.570 -6.103 -10.922 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.086 -5.246 -11.289 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -9.847 -6.291 -10.529 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -13.235 -8.495 -9.424 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -9.005 -8.557 -9.739 1.00 0.00 H new ATOM 232 N TYR A 19 -14.746 -5.899 -8.222 1.00 0.00 N ATOM 233 CA TYR A 19 -15.414 -6.628 -7.150 1.00 0.00 C ATOM 234 C TYR A 19 -15.580 -8.101 -7.513 1.00 0.00 C ATOM 235 O TYR A 19 -15.298 -8.509 -8.640 1.00 0.00 O ATOM 236 CB TYR A 19 -16.780 -6.006 -6.857 1.00 0.00 C ATOM 237 CG TYR A 19 -17.437 -5.387 -8.070 1.00 0.00 C ATOM 238 CD1 TYR A 19 -18.256 -6.141 -8.902 1.00 0.00 C ATOM 239 CD2 TYR A 19 -17.239 -4.048 -8.384 1.00 0.00 C ATOM 240 CE1 TYR A 19 -18.856 -5.579 -10.012 1.00 0.00 C ATOM 241 CE2 TYR A 19 -17.837 -3.478 -9.491 1.00 0.00 C ATOM 242 CZ TYR A 19 -18.644 -4.247 -10.302 1.00 0.00 C ATOM 243 OH TYR A 19 -19.242 -3.684 -11.406 1.00 0.00 O ATOM 0 H TYR A 19 -15.349 -5.659 -9.009 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.792 -6.561 -6.257 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.439 -6.773 -6.449 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -16.665 -5.243 -6.088 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -18.426 -7.184 -8.677 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -16.607 -3.442 -7.752 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -19.488 -6.179 -10.650 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -17.673 -2.435 -9.720 1.00 0.00 H new ATOM 0 HH TYR A 19 -18.992 -2.738 -11.467 1.00 0.00 H new ATOM 253 N ILE A 20 -16.039 -8.892 -6.549 1.00 0.00 N ATOM 254 CA ILE A 20 -16.244 -10.319 -6.767 1.00 0.00 C ATOM 255 C ILE A 20 -17.292 -10.565 -7.846 1.00 0.00 C ATOM 256 O ILE A 20 -17.376 -11.657 -8.408 1.00 0.00 O ATOM 257 CB ILE A 20 -16.680 -11.029 -5.472 1.00 0.00 C ATOM 258 CG1 ILE A 20 -17.015 -12.494 -5.755 1.00 0.00 C ATOM 259 CG2 ILE A 20 -17.875 -10.317 -4.854 1.00 0.00 C ATOM 260 CD1 ILE A 20 -16.765 -13.410 -4.578 1.00 0.00 C ATOM 0 H ILE A 20 -16.276 -8.570 -5.611 1.00 0.00 H new ATOM 0 HA ILE A 20 -15.288 -10.729 -7.092 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.854 -10.996 -4.762 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -18.063 -12.569 -6.047 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -16.422 -12.836 -6.603 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -18.171 -10.831 -3.939 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -17.604 -9.287 -4.620 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -18.706 -10.322 -5.559 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -17.025 -14.433 -4.851 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.712 -13.365 -4.299 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -17.378 -13.093 -3.734 1.00 0.00 H new ATOM 272 N LYS A 21 -18.090 -9.542 -8.133 1.00 0.00 N ATOM 273 CA LYS A 21 -19.132 -9.644 -9.148 1.00 0.00 C ATOM 274 C LYS A 21 -18.574 -9.338 -10.534 1.00 0.00 C ATOM 275 O LYS A 21 -19.068 -9.848 -11.538 1.00 0.00 O ATOM 276 CB LYS A 21 -20.282 -8.686 -8.826 1.00 0.00 C ATOM 277 CG LYS A 21 -20.357 -8.297 -7.360 1.00 0.00 C ATOM 278 CD LYS A 21 -21.772 -7.920 -6.955 1.00 0.00 C ATOM 279 CE LYS A 21 -21.778 -6.972 -5.766 1.00 0.00 C ATOM 280 NZ LYS A 21 -23.158 -6.711 -5.271 1.00 0.00 N ATOM 0 H LYS A 21 -18.035 -8.632 -7.676 1.00 0.00 H new ATOM 0 HA LYS A 21 -19.508 -10.667 -9.145 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -20.171 -7.784 -9.427 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.224 -9.151 -9.119 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -20.010 -9.127 -6.744 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -19.688 -7.458 -7.171 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -22.280 -7.451 -7.798 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -22.333 -8.821 -6.706 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -21.178 -7.396 -4.961 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -21.310 -6.030 -6.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -23.119 -6.061 -4.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -23.724 -6.283 -6.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -23.596 -7.607 -4.975 1.00 0.00 H new ATOM 294 N ASN A 22 -17.541 -8.503 -10.580 1.00 0.00 N ATOM 295 CA ASN A 22 -16.915 -8.130 -11.843 1.00 0.00 C ATOM 296 C ASN A 22 -15.534 -8.765 -11.974 1.00 0.00 C ATOM 297 O ASN A 22 -14.714 -8.333 -12.785 1.00 0.00 O ATOM 298 CB ASN A 22 -16.802 -6.608 -11.950 1.00 0.00 C ATOM 299 CG ASN A 22 -16.007 -6.172 -13.166 1.00 0.00 C ATOM 300 OD1 ASN A 22 -16.307 -6.569 -14.292 1.00 0.00 O ATOM 301 ND2 ASN A 22 -14.988 -5.351 -12.943 1.00 0.00 N ATOM 0 H ASN A 22 -17.120 -8.072 -9.757 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.543 -8.499 -12.654 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.801 -6.175 -11.998 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.328 -6.217 -11.050 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -14.417 -5.023 -13.722 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -14.776 -5.048 -11.992 1.00 0.00 H new ATOM 308 N CYS A 23 -15.282 -9.793 -11.170 1.00 0.00 N ATOM 309 CA CYS A 23 -14.001 -10.488 -11.195 1.00 0.00 C ATOM 310 C CYS A 23 -13.820 -11.249 -12.505 1.00 0.00 C ATOM 311 O CYS A 23 -14.727 -11.927 -12.988 1.00 0.00 O ATOM 312 CB CYS A 23 -13.898 -11.454 -10.013 1.00 0.00 C ATOM 313 SG CYS A 23 -12.294 -12.308 -9.888 1.00 0.00 S ATOM 0 H CYS A 23 -15.949 -10.163 -10.493 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.210 -9.742 -11.116 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -14.077 -10.902 -9.090 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -14.689 -12.199 -10.097 1.00 0.00 H new ATOM 318 N PRO A 24 -12.621 -11.134 -13.095 1.00 0.00 N ATOM 319 CA PRO A 24 -12.292 -11.805 -14.356 1.00 0.00 C ATOM 320 C PRO A 24 -12.178 -13.317 -14.197 1.00 0.00 C ATOM 321 O PRO A 24 -12.544 -14.076 -15.095 1.00 0.00 O ATOM 322 CB PRO A 24 -10.936 -11.204 -14.734 1.00 0.00 C ATOM 323 CG PRO A 24 -10.339 -10.770 -13.440 1.00 0.00 C ATOM 324 CD PRO A 24 -11.493 -10.342 -12.575 1.00 0.00 C ATOM 0 HA PRO A 24 -13.065 -11.657 -15.110 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.304 -11.937 -15.235 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.053 -10.363 -15.418 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.783 -11.584 -12.974 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.638 -9.949 -13.589 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.306 -10.553 -11.522 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.682 -9.272 -12.657 1.00 0.00 H new ATOM 332 N THR A 25 -11.670 -13.750 -13.047 1.00 0.00 N ATOM 333 CA THR A 25 -11.508 -15.172 -12.770 1.00 0.00 C ATOM 334 C THR A 25 -12.806 -15.931 -13.018 1.00 0.00 C ATOM 335 O THR A 25 -12.806 -17.156 -13.133 1.00 0.00 O ATOM 336 CB THR A 25 -11.053 -15.413 -11.318 1.00 0.00 C ATOM 337 OG1 THR A 25 -12.123 -15.112 -10.414 1.00 0.00 O ATOM 338 CG2 THR A 25 -9.842 -14.557 -10.981 1.00 0.00 C ATOM 0 H THR A 25 -11.364 -13.136 -12.292 1.00 0.00 H new ATOM 0 HA THR A 25 -10.740 -15.542 -13.449 1.00 0.00 H new ATOM 0 HB THR A 25 -10.775 -16.462 -11.216 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.396 -14.178 -10.530 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.539 -14.744 -9.951 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.021 -14.808 -11.652 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.097 -13.504 -11.098 1.00 0.00 H new ATOM 346 N ASN A 26 -13.910 -15.196 -13.099 1.00 0.00 N ATOM 347 CA ASN A 26 -15.216 -15.802 -13.333 1.00 0.00 C ATOM 348 C ASN A 26 -15.293 -16.405 -14.732 1.00 0.00 C ATOM 349 O ASN A 26 -14.832 -15.807 -15.703 1.00 0.00 O ATOM 350 CB ASN A 26 -16.323 -14.762 -13.152 1.00 0.00 C ATOM 351 CG ASN A 26 -16.684 -14.549 -11.694 1.00 0.00 C ATOM 352 OD1 ASN A 26 -17.307 -15.405 -11.066 1.00 0.00 O ATOM 353 ND2 ASN A 26 -16.292 -13.403 -11.150 1.00 0.00 N ATOM 0 H ASN A 26 -13.927 -14.180 -13.006 1.00 0.00 H new ATOM 0 HA ASN A 26 -15.354 -16.601 -12.604 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -16.002 -13.815 -13.586 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -17.210 -15.080 -13.700 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -16.505 -13.203 -10.173 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -15.778 -12.723 -11.709 1.00 0.00 H new ATOM 360 N GLY A 27 -15.880 -17.594 -14.827 1.00 0.00 N ATOM 361 CA GLY A 27 -16.007 -18.258 -16.111 1.00 0.00 C ATOM 362 C GLY A 27 -14.664 -18.527 -16.760 1.00 0.00 C ATOM 363 O GLY A 27 -14.550 -18.536 -17.986 1.00 0.00 O ATOM 0 H GLY A 27 -16.270 -18.109 -14.038 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -16.538 -19.201 -15.978 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -16.612 -17.642 -16.777 1.00 0.00 H new ATOM 367 N ASP A 28 -13.645 -18.746 -15.938 1.00 0.00 N ATOM 368 CA ASP A 28 -12.302 -19.016 -16.439 1.00 0.00 C ATOM 369 C ASP A 28 -11.843 -20.415 -16.037 1.00 0.00 C ATOM 370 O ASP A 28 -12.508 -21.098 -15.258 1.00 0.00 O ATOM 371 CB ASP A 28 -11.318 -17.972 -15.911 1.00 0.00 C ATOM 372 CG ASP A 28 -9.945 -18.555 -15.638 1.00 0.00 C ATOM 373 OD1 ASP A 28 -9.227 -18.862 -16.612 1.00 0.00 O ATOM 374 OD2 ASP A 28 -9.590 -18.707 -14.450 1.00 0.00 O ATOM 0 H ASP A 28 -13.723 -18.742 -14.921 1.00 0.00 H new ATOM 0 HA ASP A 28 -12.329 -18.960 -17.527 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -11.228 -17.163 -16.636 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -11.713 -17.536 -14.994 1.00 0.00 H new ATOM 379 N LYS A 29 -10.703 -20.835 -16.574 1.00 0.00 N ATOM 380 CA LYS A 29 -10.154 -22.152 -16.273 1.00 0.00 C ATOM 381 C LYS A 29 -9.348 -22.122 -14.978 1.00 0.00 C ATOM 382 O LYS A 29 -9.198 -21.072 -14.354 1.00 0.00 O ATOM 383 CB LYS A 29 -9.270 -22.634 -17.425 1.00 0.00 C ATOM 384 CG LYS A 29 -10.006 -22.750 -18.749 1.00 0.00 C ATOM 385 CD LYS A 29 -9.089 -23.241 -19.856 1.00 0.00 C ATOM 386 CE LYS A 29 -9.627 -22.873 -21.230 1.00 0.00 C ATOM 387 NZ LYS A 29 -10.762 -23.749 -21.634 1.00 0.00 N ATOM 0 H LYS A 29 -10.141 -20.282 -17.221 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.986 -22.845 -16.147 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.434 -21.945 -17.543 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.849 -23.606 -17.167 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.846 -23.436 -18.640 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.420 -21.779 -19.022 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.096 -22.810 -19.725 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.979 -24.323 -19.785 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.954 -21.833 -21.225 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.827 -22.952 -21.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.101 -23.466 -22.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.443 -24.739 -21.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.536 -23.655 -20.945 1.00 0.00 H new ATOM 401 N ASN A 30 -8.831 -23.280 -14.582 1.00 0.00 N ATOM 402 CA ASN A 30 -8.039 -23.385 -13.361 1.00 0.00 C ATOM 403 C ASN A 30 -6.919 -22.350 -13.349 1.00 0.00 C ATOM 404 O ASN A 30 -5.939 -22.471 -14.084 1.00 0.00 O ATOM 405 CB ASN A 30 -7.451 -24.791 -13.230 1.00 0.00 C ATOM 406 CG ASN A 30 -8.455 -25.873 -13.577 1.00 0.00 C ATOM 407 OD1 ASN A 30 -8.765 -26.096 -14.747 1.00 0.00 O ATOM 408 ND2 ASN A 30 -8.969 -26.552 -12.558 1.00 0.00 N ATOM 0 H ASN A 30 -8.946 -24.158 -15.088 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.696 -23.193 -12.513 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.583 -24.881 -13.884 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -7.098 -24.941 -12.210 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.650 -27.292 -12.730 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -8.683 -26.333 -11.604 1.00 0.00 H new ATOM 415 N PHE A 31 -7.070 -21.332 -12.508 1.00 0.00 N ATOM 416 CA PHE A 31 -6.072 -20.275 -12.399 1.00 0.00 C ATOM 417 C PHE A 31 -5.152 -20.516 -11.206 1.00 0.00 C ATOM 418 O PHE A 31 -5.608 -20.616 -10.068 1.00 0.00 O ATOM 419 CB PHE A 31 -6.754 -18.912 -12.263 1.00 0.00 C ATOM 420 CG PHE A 31 -7.635 -18.800 -11.052 1.00 0.00 C ATOM 421 CD1 PHE A 31 -8.882 -19.403 -11.028 1.00 0.00 C ATOM 422 CD2 PHE A 31 -7.216 -18.093 -9.937 1.00 0.00 C ATOM 423 CE1 PHE A 31 -9.695 -19.301 -9.915 1.00 0.00 C ATOM 424 CE2 PHE A 31 -8.024 -17.988 -8.821 1.00 0.00 C ATOM 425 CZ PHE A 31 -9.265 -18.594 -8.810 1.00 0.00 C ATOM 0 H PHE A 31 -7.875 -21.217 -11.892 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.470 -20.284 -13.308 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -5.990 -18.135 -12.220 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.351 -18.723 -13.155 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.223 -19.959 -11.889 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.246 -17.618 -9.940 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -10.666 -19.774 -9.910 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.686 -17.433 -7.959 1.00 0.00 H new ATOM 0 HZ PHE A 31 -9.898 -18.515 -7.938 1.00 0.00 H new ATOM 435 N GLU A 32 -3.854 -20.610 -11.477 1.00 0.00 N ATOM 436 CA GLU A 32 -2.869 -20.842 -10.426 1.00 0.00 C ATOM 437 C GLU A 32 -2.116 -19.557 -10.094 1.00 0.00 C ATOM 438 O GLU A 32 -1.334 -19.056 -10.902 1.00 0.00 O ATOM 439 CB GLU A 32 -1.881 -21.930 -10.852 1.00 0.00 C ATOM 440 CG GLU A 32 -1.117 -21.594 -12.122 1.00 0.00 C ATOM 441 CD GLU A 32 -0.389 -22.793 -12.698 1.00 0.00 C ATOM 442 OE1 GLU A 32 0.613 -23.227 -12.091 1.00 0.00 O ATOM 443 OE2 GLU A 32 -0.820 -23.297 -13.756 1.00 0.00 O ATOM 0 H GLU A 32 -3.460 -20.529 -12.414 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.399 -21.174 -9.533 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.169 -22.100 -10.044 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.423 -22.864 -11.000 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.811 -21.203 -12.866 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.397 -20.803 -11.910 1.00 0.00 H new ATOM 450 N SER A 33 -2.357 -19.029 -8.898 1.00 0.00 N ATOM 451 CA SER A 33 -1.706 -17.800 -8.460 1.00 0.00 C ATOM 452 C SER A 33 -0.206 -18.014 -8.282 1.00 0.00 C ATOM 453 O SER A 33 0.259 -19.145 -8.144 1.00 0.00 O ATOM 454 CB SER A 33 -2.322 -17.311 -7.148 1.00 0.00 C ATOM 455 OG SER A 33 -2.119 -15.919 -6.977 1.00 0.00 O ATOM 0 H SER A 33 -2.998 -19.433 -8.215 1.00 0.00 H new ATOM 0 HA SER A 33 -1.859 -17.043 -9.229 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.390 -17.530 -7.140 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.880 -17.852 -6.311 1.00 0.00 H new ATOM 0 HG SER A 33 -2.523 -15.631 -6.132 1.00 0.00 H new ATOM 461 N GLY A 34 0.547 -16.918 -8.287 1.00 0.00 N ATOM 462 CA GLY A 34 1.987 -17.007 -8.125 1.00 0.00 C ATOM 463 C GLY A 34 2.696 -15.735 -8.545 1.00 0.00 C ATOM 464 O GLY A 34 2.640 -14.713 -7.861 1.00 0.00 O ATOM 0 H GLY A 34 0.186 -15.971 -8.400 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.220 -17.222 -7.082 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.365 -17.842 -8.715 1.00 0.00 H new ATOM 468 N PRO A 35 3.384 -15.788 -9.695 1.00 0.00 N ATOM 469 CA PRO A 35 4.122 -14.640 -10.230 1.00 0.00 C ATOM 470 C PRO A 35 3.196 -13.533 -10.722 1.00 0.00 C ATOM 471 O PRO A 35 1.992 -13.742 -10.878 1.00 0.00 O ATOM 472 CB PRO A 35 4.909 -15.238 -11.399 1.00 0.00 C ATOM 473 CG PRO A 35 4.120 -16.430 -11.817 1.00 0.00 C ATOM 474 CD PRO A 35 3.495 -16.973 -10.562 1.00 0.00 C ATOM 0 HA PRO A 35 4.749 -14.170 -9.472 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.009 -14.523 -12.216 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.918 -15.518 -11.095 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.357 -16.157 -12.546 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.760 -17.176 -12.289 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.520 -17.419 -10.759 1.00 0.00 H new ATOM 0 HD3 PRO A 35 4.114 -17.747 -10.107 1.00 0.00 H new ATOM 482 N ARG A 36 3.764 -12.357 -10.966 1.00 0.00 N ATOM 483 CA ARG A 36 2.988 -11.217 -11.440 1.00 0.00 C ATOM 484 C ARG A 36 2.920 -11.202 -12.964 1.00 0.00 C ATOM 485 O ARG A 36 3.864 -11.608 -13.641 1.00 0.00 O ATOM 486 CB ARG A 36 3.600 -9.910 -10.933 1.00 0.00 C ATOM 487 CG ARG A 36 4.845 -9.485 -11.693 1.00 0.00 C ATOM 488 CD ARG A 36 6.076 -10.237 -11.211 1.00 0.00 C ATOM 489 NE ARG A 36 6.292 -11.471 -11.961 1.00 0.00 N ATOM 490 CZ ARG A 36 7.468 -12.084 -12.044 1.00 0.00 C ATOM 491 NH1 ARG A 36 8.527 -11.580 -11.426 1.00 0.00 N ATOM 492 NH2 ARG A 36 7.585 -13.204 -12.746 1.00 0.00 N ATOM 0 H ARG A 36 4.759 -12.168 -10.843 1.00 0.00 H new ATOM 0 HA ARG A 36 1.975 -11.311 -11.049 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.854 -9.118 -11.003 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.849 -10.021 -9.878 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.701 -9.665 -12.758 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.000 -8.413 -11.569 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.953 -9.596 -11.307 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.966 -10.471 -10.152 1.00 0.00 H new ATOM 0 HE ARG A 36 5.497 -11.885 -12.448 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.440 -10.720 -10.885 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.429 -12.053 -11.491 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.772 -13.595 -13.222 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.488 -13.674 -12.809 1.00 0.00 H new ATOM 506 N ILE A 37 1.797 -10.731 -13.496 1.00 0.00 N ATOM 507 CA ILE A 37 1.606 -10.663 -14.940 1.00 0.00 C ATOM 508 C ILE A 37 1.407 -9.223 -15.400 1.00 0.00 C ATOM 509 O ILE A 37 0.686 -8.451 -14.767 1.00 0.00 O ATOM 510 CB ILE A 37 0.398 -11.505 -15.388 1.00 0.00 C ATOM 511 CG1 ILE A 37 0.216 -11.409 -16.905 1.00 0.00 C ATOM 512 CG2 ILE A 37 -0.863 -11.049 -14.669 1.00 0.00 C ATOM 513 CD1 ILE A 37 -0.668 -12.495 -17.477 1.00 0.00 C ATOM 0 H ILE A 37 1.006 -10.391 -12.949 1.00 0.00 H new ATOM 0 HA ILE A 37 2.509 -11.067 -15.398 1.00 0.00 H new ATOM 0 HB ILE A 37 0.585 -12.547 -15.128 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.211 -10.437 -17.151 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.194 -11.458 -17.384 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.708 -11.654 -14.997 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.730 -11.164 -13.593 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.055 -10.002 -14.901 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.752 -12.365 -18.556 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.231 -13.470 -17.262 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.658 -12.434 -17.026 1.00 0.00 H new ATOM 525 N LYS A 38 2.049 -8.867 -16.507 1.00 0.00 N ATOM 526 CA LYS A 38 1.941 -7.521 -17.056 1.00 0.00 C ATOM 527 C LYS A 38 0.617 -7.337 -17.790 1.00 0.00 C ATOM 528 O LYS A 38 0.369 -7.974 -18.815 1.00 0.00 O ATOM 529 CB LYS A 38 3.107 -7.241 -18.008 1.00 0.00 C ATOM 530 CG LYS A 38 3.331 -5.763 -18.276 1.00 0.00 C ATOM 531 CD LYS A 38 2.440 -5.259 -19.399 1.00 0.00 C ATOM 532 CE LYS A 38 3.056 -5.530 -20.764 1.00 0.00 C ATOM 533 NZ LYS A 38 2.016 -5.723 -21.812 1.00 0.00 N ATOM 0 H LYS A 38 2.651 -9.493 -17.042 1.00 0.00 H new ATOM 0 HA LYS A 38 1.978 -6.814 -16.227 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.018 -7.668 -17.589 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.923 -7.750 -18.954 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.131 -5.193 -17.368 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.376 -5.594 -18.535 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.465 -5.742 -19.336 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.273 -4.188 -19.280 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.703 -4.698 -21.043 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.685 -6.418 -20.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.464 -5.719 -22.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.536 -6.633 -21.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.321 -4.952 -21.757 1.00 0.00 H new ATOM 547 N LYS A 39 -0.231 -6.462 -17.261 1.00 0.00 N ATOM 548 CA LYS A 39 -1.530 -6.191 -17.866 1.00 0.00 C ATOM 549 C LYS A 39 -1.628 -4.737 -18.316 1.00 0.00 C ATOM 550 O LYS A 39 -1.628 -3.822 -17.493 1.00 0.00 O ATOM 551 CB LYS A 39 -2.653 -6.507 -16.876 1.00 0.00 C ATOM 552 CG LYS A 39 -2.942 -7.992 -16.737 1.00 0.00 C ATOM 553 CD LYS A 39 -3.654 -8.539 -17.963 1.00 0.00 C ATOM 554 CE LYS A 39 -5.161 -8.370 -17.853 1.00 0.00 C ATOM 555 NZ LYS A 39 -5.750 -9.291 -16.842 1.00 0.00 N ATOM 0 H LYS A 39 -0.042 -5.927 -16.413 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.636 -6.832 -18.742 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.388 -6.104 -15.898 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.562 -5.997 -17.196 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.008 -8.533 -16.586 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.556 -8.163 -15.852 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.293 -8.025 -18.854 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.413 -9.595 -18.084 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.392 -7.339 -17.584 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.619 -8.556 -18.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.771 -9.386 -17.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.298 -10.224 -16.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.593 -8.906 -15.889 1.00 0.00 H new ATOM 569 N SER A 40 -1.713 -4.532 -19.627 1.00 0.00 N ATOM 570 CA SER A 40 -1.810 -3.189 -20.186 1.00 0.00 C ATOM 571 C SER A 40 -3.232 -2.897 -20.655 1.00 0.00 C ATOM 572 O SER A 40 -3.732 -3.525 -21.589 1.00 0.00 O ATOM 573 CB SER A 40 -0.833 -3.027 -21.351 1.00 0.00 C ATOM 574 OG SER A 40 0.510 -3.065 -20.900 1.00 0.00 O ATOM 0 H SER A 40 -1.717 -5.279 -20.321 1.00 0.00 H new ATOM 0 HA SER A 40 -1.551 -2.477 -19.403 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.997 -3.820 -22.080 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.022 -2.082 -21.860 1.00 0.00 H new ATOM 0 HG SER A 40 1.108 -2.804 -21.631 1.00 0.00 H new ATOM 580 N THR A 41 -3.880 -1.939 -20.000 1.00 0.00 N ATOM 581 CA THR A 41 -5.245 -1.563 -20.348 1.00 0.00 C ATOM 582 C THR A 41 -5.447 -1.565 -21.859 1.00 0.00 C ATOM 583 O THR A 41 -6.521 -1.908 -22.351 1.00 0.00 O ATOM 584 CB THR A 41 -5.602 -0.170 -19.795 1.00 0.00 C ATOM 585 OG1 THR A 41 -6.917 0.203 -20.221 1.00 0.00 O ATOM 586 CG2 THR A 41 -4.598 0.872 -20.264 1.00 0.00 C ATOM 0 H THR A 41 -3.481 -1.409 -19.225 1.00 0.00 H new ATOM 0 HA THR A 41 -5.903 -2.305 -19.895 1.00 0.00 H new ATOM 0 HB THR A 41 -5.572 -0.217 -18.706 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.137 1.089 -19.864 1.00 0.00 H new ATOM 0 HG21 THR A 41 -4.871 1.847 -19.861 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.602 0.601 -19.914 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.601 0.916 -21.353 1.00 0.00 H new ATOM 594 N GLY A 42 -4.406 -1.180 -22.592 1.00 0.00 N ATOM 595 CA GLY A 42 -4.491 -1.146 -24.040 1.00 0.00 C ATOM 596 C GLY A 42 -4.562 0.267 -24.583 1.00 0.00 C ATOM 597 O GLY A 42 -3.584 1.013 -24.521 1.00 0.00 O ATOM 0 H GLY A 42 -3.506 -0.891 -22.209 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.623 -1.652 -24.464 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.372 -1.701 -24.362 1.00 0.00 H new ATOM 601 N ILE A 43 -5.721 0.636 -25.118 1.00 0.00 N ATOM 602 CA ILE A 43 -5.914 1.969 -25.675 1.00 0.00 C ATOM 603 C ILE A 43 -6.750 2.839 -24.741 1.00 0.00 C ATOM 604 O ILE A 43 -7.590 2.351 -23.985 1.00 0.00 O ATOM 605 CB ILE A 43 -6.599 1.910 -27.053 1.00 0.00 C ATOM 606 CG1 ILE A 43 -7.987 1.278 -26.930 1.00 0.00 C ATOM 607 CG2 ILE A 43 -5.741 1.130 -28.038 1.00 0.00 C ATOM 608 CD1 ILE A 43 -9.089 2.283 -26.676 1.00 0.00 C ATOM 0 H ILE A 43 -6.540 0.031 -25.177 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.924 2.410 -25.790 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.715 2.927 -27.429 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -8.210 0.730 -27.845 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.975 0.551 -26.118 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -6.239 1.097 -29.007 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.773 1.619 -28.144 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.596 0.114 -27.670 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -10.044 1.764 -26.600 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.890 2.814 -25.745 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.128 2.996 -27.499 1.00 0.00 H new ATOM 620 N PRO A 44 -6.518 4.159 -24.796 1.00 0.00 N ATOM 621 CA PRO A 44 -7.241 5.125 -23.964 1.00 0.00 C ATOM 622 C PRO A 44 -8.703 5.266 -24.376 1.00 0.00 C ATOM 623 O PRO A 44 -9.593 5.327 -23.529 1.00 0.00 O ATOM 624 CB PRO A 44 -6.489 6.435 -24.206 1.00 0.00 C ATOM 625 CG PRO A 44 -5.864 6.271 -25.549 1.00 0.00 C ATOM 626 CD PRO A 44 -5.532 4.810 -25.675 1.00 0.00 C ATOM 0 HA PRO A 44 -7.269 4.821 -22.918 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -7.166 7.289 -24.186 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.736 6.607 -23.437 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.547 6.586 -26.338 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -4.967 6.884 -25.640 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.622 4.465 -26.705 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -4.511 4.601 -25.357 1.00 0.00 H new ATOM 634 N ARG A 45 -8.942 5.315 -25.683 1.00 0.00 N ATOM 635 CA ARG A 45 -10.296 5.450 -26.207 1.00 0.00 C ATOM 636 C ARG A 45 -10.326 5.182 -27.709 1.00 0.00 C ATOM 637 O ARG A 45 -9.287 5.169 -28.368 1.00 0.00 O ATOM 638 CB ARG A 45 -10.841 6.849 -25.916 1.00 0.00 C ATOM 639 CG ARG A 45 -9.990 7.967 -26.495 1.00 0.00 C ATOM 640 CD ARG A 45 -10.729 9.296 -26.479 1.00 0.00 C ATOM 641 NE ARG A 45 -9.813 10.433 -26.500 1.00 0.00 N ATOM 642 CZ ARG A 45 -10.146 11.638 -26.949 1.00 0.00 C ATOM 643 NH1 ARG A 45 -11.368 11.861 -27.412 1.00 0.00 N ATOM 644 NH2 ARG A 45 -9.256 12.622 -26.935 1.00 0.00 N ATOM 0 H ARG A 45 -8.216 5.263 -26.398 1.00 0.00 H new ATOM 0 HA ARG A 45 -10.927 4.712 -25.711 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -11.851 6.927 -26.318 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.917 6.983 -24.837 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.067 8.056 -25.923 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.708 7.719 -27.518 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -11.394 9.351 -27.341 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.355 9.352 -25.589 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.865 10.294 -26.151 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -12.054 11.107 -27.424 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.622 12.787 -27.756 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.315 12.454 -26.579 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.513 13.547 -27.280 1.00 0.00 H new ATOM 658 N SER A 46 -11.524 4.968 -28.243 1.00 0.00 N ATOM 659 CA SER A 46 -11.690 4.696 -29.666 1.00 0.00 C ATOM 660 C SER A 46 -12.175 5.941 -30.404 1.00 0.00 C ATOM 661 O SER A 46 -12.899 6.765 -29.845 1.00 0.00 O ATOM 662 CB SER A 46 -12.678 3.548 -29.875 1.00 0.00 C ATOM 663 OG SER A 46 -12.541 2.987 -31.169 1.00 0.00 O ATOM 0 H SER A 46 -12.394 4.978 -27.711 1.00 0.00 H new ATOM 0 HA SER A 46 -10.720 4.409 -30.072 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.510 2.778 -29.122 1.00 0.00 H new ATOM 0 HB3 SER A 46 -13.697 3.911 -29.739 1.00 0.00 H new ATOM 0 HG SER A 46 -13.182 2.254 -31.277 1.00 0.00 H new ATOM 669 N PHE A 47 -11.771 6.069 -31.663 1.00 0.00 N ATOM 670 CA PHE A 47 -12.163 7.213 -32.479 1.00 0.00 C ATOM 671 C PHE A 47 -12.546 6.770 -33.888 1.00 0.00 C ATOM 672 O PHE A 47 -11.806 6.035 -34.542 1.00 0.00 O ATOM 673 CB PHE A 47 -11.024 8.233 -32.545 1.00 0.00 C ATOM 674 CG PHE A 47 -11.399 9.504 -33.251 1.00 0.00 C ATOM 675 CD1 PHE A 47 -12.390 10.328 -32.742 1.00 0.00 C ATOM 676 CD2 PHE A 47 -10.760 9.876 -34.422 1.00 0.00 C ATOM 677 CE1 PHE A 47 -12.738 11.498 -33.391 1.00 0.00 C ATOM 678 CE2 PHE A 47 -11.103 11.045 -35.075 1.00 0.00 C ATOM 679 CZ PHE A 47 -12.092 11.858 -34.558 1.00 0.00 C ATOM 0 H PHE A 47 -11.173 5.395 -32.141 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.032 7.678 -32.014 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -10.701 8.471 -31.532 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -10.172 7.782 -33.053 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -12.896 10.053 -31.828 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.984 9.245 -34.830 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -13.514 12.130 -32.986 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.598 11.322 -35.989 1.00 0.00 H new ATOM 0 HZ PHE A 47 -12.360 12.773 -35.065 1.00 0.00 H new ATOM 689 N MET A 48 -13.708 7.222 -34.348 1.00 0.00 N ATOM 690 CA MET A 48 -14.190 6.873 -35.679 1.00 0.00 C ATOM 691 C MET A 48 -13.976 8.026 -36.655 1.00 0.00 C ATOM 692 O MET A 48 -14.600 9.079 -36.532 1.00 0.00 O ATOM 693 CB MET A 48 -15.674 6.503 -35.627 1.00 0.00 C ATOM 694 CG MET A 48 -15.953 5.217 -34.866 1.00 0.00 C ATOM 695 SD MET A 48 -17.627 4.602 -35.133 1.00 0.00 S ATOM 696 CE MET A 48 -17.812 3.505 -33.729 1.00 0.00 C ATOM 0 H MET A 48 -14.333 7.830 -33.819 1.00 0.00 H new ATOM 0 HA MET A 48 -13.620 6.013 -36.030 1.00 0.00 H new ATOM 0 HB2 MET A 48 -16.227 7.319 -35.161 1.00 0.00 H new ATOM 0 HB3 MET A 48 -16.051 6.402 -36.645 1.00 0.00 H new ATOM 0 HG2 MET A 48 -15.237 4.455 -35.173 1.00 0.00 H new ATOM 0 HG3 MET A 48 -15.799 5.389 -33.801 1.00 0.00 H new ATOM 0 HE1 MET A 48 -18.800 3.046 -33.753 1.00 0.00 H new ATOM 0 HE2 MET A 48 -17.050 2.727 -33.772 1.00 0.00 H new ATOM 0 HE3 MET A 48 -17.699 4.073 -32.806 1.00 0.00 H new ATOM 706 N MET A 49 -13.089 7.819 -37.623 1.00 0.00 N ATOM 707 CA MET A 49 -12.793 8.842 -38.619 1.00 0.00 C ATOM 708 C MET A 49 -13.712 8.704 -39.829 1.00 0.00 C ATOM 709 O MET A 49 -13.912 7.605 -40.345 1.00 0.00 O ATOM 710 CB MET A 49 -11.332 8.746 -39.061 1.00 0.00 C ATOM 711 CG MET A 49 -10.347 9.244 -38.015 1.00 0.00 C ATOM 712 SD MET A 49 -8.637 9.181 -38.586 1.00 0.00 S ATOM 713 CE MET A 49 -8.234 7.467 -38.257 1.00 0.00 C ATOM 0 H MET A 49 -12.563 6.953 -37.739 1.00 0.00 H new ATOM 0 HA MET A 49 -12.964 9.817 -38.164 1.00 0.00 H new ATOM 0 HB2 MET A 49 -11.101 7.708 -39.301 1.00 0.00 H new ATOM 0 HB3 MET A 49 -11.199 9.322 -39.977 1.00 0.00 H new ATOM 0 HG2 MET A 49 -10.598 10.270 -37.744 1.00 0.00 H new ATOM 0 HG3 MET A 49 -10.447 8.642 -37.112 1.00 0.00 H new ATOM 0 HE1 MET A 49 -7.205 7.271 -38.558 1.00 0.00 H new ATOM 0 HE2 MET A 49 -8.346 7.265 -37.192 1.00 0.00 H new ATOM 0 HE3 MET A 49 -8.906 6.820 -38.821 1.00 0.00 H new ATOM 723 N GLU A 50 -14.269 9.826 -40.274 1.00 0.00 N ATOM 724 CA GLU A 50 -15.168 9.828 -41.423 1.00 0.00 C ATOM 725 C GLU A 50 -14.381 9.849 -42.730 1.00 0.00 C ATOM 726 O GLU A 50 -14.920 10.175 -43.787 1.00 0.00 O ATOM 727 CB GLU A 50 -16.107 11.034 -41.361 1.00 0.00 C ATOM 728 CG GLU A 50 -17.299 10.926 -42.297 1.00 0.00 C ATOM 729 CD GLU A 50 -18.364 11.967 -42.008 1.00 0.00 C ATOM 730 OE1 GLU A 50 -18.014 13.045 -41.485 1.00 0.00 O ATOM 731 OE2 GLU A 50 -19.547 11.702 -42.307 1.00 0.00 O ATOM 0 H GLU A 50 -14.114 10.744 -39.857 1.00 0.00 H new ATOM 0 HA GLU A 50 -15.760 8.913 -41.390 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -16.468 11.151 -40.339 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -15.544 11.935 -41.605 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -16.959 11.036 -43.327 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -17.736 9.931 -42.210 1.00 0.00 H new ATOM 738 N VAL A 51 -13.101 9.499 -42.648 1.00 0.00 N ATOM 739 CA VAL A 51 -12.238 9.477 -43.824 1.00 0.00 C ATOM 740 C VAL A 51 -12.646 8.365 -44.784 1.00 0.00 C ATOM 741 O VAL A 51 -12.957 7.250 -44.364 1.00 0.00 O ATOM 742 CB VAL A 51 -10.761 9.286 -43.432 1.00 0.00 C ATOM 743 CG1 VAL A 51 -10.264 10.475 -42.624 1.00 0.00 C ATOM 744 CG2 VAL A 51 -10.579 7.990 -42.656 1.00 0.00 C ATOM 0 H VAL A 51 -12.639 9.227 -41.780 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.353 10.441 -44.320 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.167 9.224 -44.344 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.219 10.322 -42.356 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.357 11.384 -43.219 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.860 10.573 -41.717 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.529 7.871 -42.387 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.184 8.020 -41.750 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.893 7.149 -43.274 1.00 0.00 H new ATOM 754 N LYS A 52 -12.643 8.675 -46.076 1.00 0.00 N ATOM 755 CA LYS A 52 -13.010 7.702 -47.098 1.00 0.00 C ATOM 756 C LYS A 52 -11.820 6.822 -47.465 1.00 0.00 C ATOM 757 O LYS A 52 -10.688 7.298 -47.552 1.00 0.00 O ATOM 758 CB LYS A 52 -13.534 8.417 -48.346 1.00 0.00 C ATOM 759 CG LYS A 52 -14.384 7.532 -49.241 1.00 0.00 C ATOM 760 CD LYS A 52 -13.532 6.772 -50.244 1.00 0.00 C ATOM 761 CE LYS A 52 -13.039 7.681 -51.359 1.00 0.00 C ATOM 762 NZ LYS A 52 -14.057 7.842 -52.435 1.00 0.00 N ATOM 0 H LYS A 52 -12.390 9.594 -46.440 1.00 0.00 H new ATOM 0 HA LYS A 52 -13.797 7.066 -46.693 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -14.123 9.282 -48.039 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.688 8.795 -48.920 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -14.945 6.825 -48.629 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.114 8.143 -49.772 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -12.679 6.325 -49.733 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -14.113 5.954 -50.670 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.789 8.658 -50.947 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.123 7.270 -51.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.683 8.468 -53.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -14.277 6.913 -52.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -14.922 8.258 -52.035 1.00 0.00 H new ATOM 776 N ASP A 53 -12.083 5.538 -47.680 1.00 0.00 N ATOM 777 CA ASP A 53 -11.034 4.592 -48.040 1.00 0.00 C ATOM 778 C ASP A 53 -10.835 4.551 -49.552 1.00 0.00 C ATOM 779 O ASP A 53 -11.771 4.327 -50.320 1.00 0.00 O ATOM 780 CB ASP A 53 -11.376 3.195 -47.520 1.00 0.00 C ATOM 781 CG ASP A 53 -10.141 2.379 -47.197 1.00 0.00 C ATOM 782 OD1 ASP A 53 -9.387 2.046 -48.135 1.00 0.00 O ATOM 783 OD2 ASP A 53 -9.927 2.072 -46.005 1.00 0.00 O ATOM 0 H ASP A 53 -13.015 5.128 -47.611 1.00 0.00 H new ATOM 0 HA ASP A 53 -10.105 4.925 -47.578 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.993 3.284 -46.626 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -11.971 2.668 -48.266 1.00 0.00 H new ATOM 788 N PRO A 54 -9.587 4.774 -49.992 1.00 0.00 N ATOM 789 CA PRO A 54 -9.236 4.768 -51.415 1.00 0.00 C ATOM 790 C PRO A 54 -9.307 3.372 -52.024 1.00 0.00 C ATOM 791 O PRO A 54 -8.987 3.179 -53.196 1.00 0.00 O ATOM 792 CB PRO A 54 -7.796 5.285 -51.427 1.00 0.00 C ATOM 793 CG PRO A 54 -7.260 4.944 -50.080 1.00 0.00 C ATOM 794 CD PRO A 54 -8.423 5.048 -49.133 1.00 0.00 C ATOM 0 HA PRO A 54 -9.924 5.371 -52.007 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -7.212 4.812 -52.217 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.763 6.360 -51.606 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -6.838 3.939 -50.071 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -6.461 5.628 -49.793 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -8.345 4.326 -48.320 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -8.483 6.036 -48.678 1.00 0.00 H new ATOM 802 N ASN A 55 -9.727 2.401 -51.219 1.00 0.00 N ATOM 803 CA ASN A 55 -9.838 1.021 -51.679 1.00 0.00 C ATOM 804 C ASN A 55 -10.788 0.920 -52.869 1.00 0.00 C ATOM 805 O ASN A 55 -10.469 0.233 -53.838 1.00 0.00 O ATOM 806 CB ASN A 55 -10.328 0.121 -50.543 1.00 0.00 C ATOM 807 CG ASN A 55 -11.823 0.236 -50.318 1.00 0.00 C ATOM 808 OD1 ASN A 55 -12.326 1.295 -49.941 1.00 0.00 O ATOM 809 ND2 ASN A 55 -12.542 -0.857 -50.547 1.00 0.00 N ATOM 0 H ASN A 55 -9.996 2.544 -50.246 1.00 0.00 H new ATOM 0 HA ASN A 55 -8.850 0.689 -51.996 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -10.076 -0.915 -50.770 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.804 0.383 -49.624 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -13.553 -0.840 -50.411 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -12.083 -1.713 -50.859 1.00 0.00 H new TER 816 ASN A 55 HETATM 817 ZN ZN A 181 -11.015 -10.882 -8.634 1.00 0.00 ZN