USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 759 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 40 THR OG1 : rot 97:sc= 1.37 USER MOD Set 1.2: A 67 THR OG1 : rot -85:sc= 0.01 USER MOD Set 2.1: A 1 MET CE :methyl 166:sc= -0.145 (180deg=-0.485) USER MOD Set 2.2: A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0283 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 2:sc= 0.869 USER MOD Single : A 20 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.015) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot -107:sc= 0.385 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0.337 X(o=0.34,f=-0.024) USER MOD Single : A 41 CYS SG : rot 147:sc= -4.97! USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -173:sc=-0.00724 (180deg=-0.0883) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 162:sc= -0.0758 (180deg=-0.441) USER MOD Single : A 57 LYS NZ :NH3+ -163:sc= -0.0219 (180deg=-0.239) USER MOD Single : A 58 TYR OH : rot 141:sc= 0.0923 USER MOD Single : A 62 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.0012) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 CYS SG : rot 5:sc= -2.01! USER MOD Single : A 77 LYS NZ :NH3+ -154:sc= 0.484 (180deg=0.135) USER MOD Single : A 84 LYS NZ :NH3+ 169:sc= 1.55 (180deg=1.42) USER MOD Single : A 85 HIS : no HE2:sc= -0.523 K(o=-0.52,f=-1.7) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.048 15.228 -5.835 1.00 0.00 N ATOM 2 CA MET A 1 -5.365 13.942 -6.033 1.00 0.00 C ATOM 3 C MET A 1 -5.582 13.049 -4.817 1.00 0.00 C ATOM 4 O MET A 1 -4.789 13.097 -3.872 1.00 0.00 O ATOM 5 CB MET A 1 -3.857 14.118 -6.261 1.00 0.00 C ATOM 6 CG MET A 1 -3.449 14.650 -7.633 1.00 0.00 C ATOM 7 SD MET A 1 -1.664 14.969 -7.774 1.00 0.00 S ATOM 8 CE MET A 1 -0.965 13.361 -7.291 1.00 0.00 C ATOM 0 H1 MET A 1 -5.897 15.833 -6.667 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.067 15.064 -5.707 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.664 15.698 -4.991 1.00 0.00 H new ATOM 0 HA MET A 1 -5.792 13.483 -6.925 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.470 14.796 -5.500 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.371 13.155 -6.107 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.745 13.931 -8.397 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.994 15.572 -7.835 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.089 13.326 -7.565 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.064 13.230 -6.213 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.500 12.562 -7.805 1.00 0.00 H new ATOM 18 N GLU A 2 -6.593 12.184 -4.827 1.00 0.00 N ATOM 19 CA GLU A 2 -6.671 11.089 -3.874 1.00 0.00 C ATOM 20 C GLU A 2 -5.826 9.900 -4.352 1.00 0.00 C ATOM 21 O GLU A 2 -5.774 9.614 -5.552 1.00 0.00 O ATOM 22 CB GLU A 2 -8.119 10.637 -3.637 1.00 0.00 C ATOM 23 CG GLU A 2 -8.945 11.642 -2.815 1.00 0.00 C ATOM 24 CD GLU A 2 -10.145 10.982 -2.116 1.00 0.00 C ATOM 25 OE1 GLU A 2 -10.679 9.964 -2.611 1.00 0.00 O ATOM 26 OE2 GLU A 2 -10.518 11.425 -1.000 1.00 0.00 O ATOM 0 H GLU A 2 -7.369 12.224 -5.487 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.276 11.457 -2.927 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.605 10.480 -4.600 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.112 9.676 -3.122 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.304 12.109 -2.067 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -9.302 12.437 -3.470 1.00 0.00 H new ATOM 33 N VAL A 3 -5.257 9.185 -3.374 1.00 0.00 N ATOM 34 CA VAL A 3 -4.491 7.936 -3.420 1.00 0.00 C ATOM 35 C VAL A 3 -3.319 7.998 -4.409 1.00 0.00 C ATOM 36 O VAL A 3 -3.507 8.022 -5.628 1.00 0.00 O ATOM 37 CB VAL A 3 -5.454 6.751 -3.615 1.00 0.00 C ATOM 38 CG1 VAL A 3 -4.768 5.391 -3.782 1.00 0.00 C ATOM 39 CG2 VAL A 3 -6.425 6.622 -2.433 1.00 0.00 C ATOM 0 H VAL A 3 -5.334 9.512 -2.411 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.994 7.777 -2.463 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.973 6.989 -4.543 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.523 4.616 -3.913 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.118 5.416 -4.657 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.174 5.172 -2.895 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.092 5.776 -2.601 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.861 6.463 -1.514 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.013 7.535 -2.344 1.00 0.00 H new ATOM 49 N LYS A 4 -2.092 8.086 -3.884 1.00 0.00 N ATOM 50 CA LYS A 4 -0.885 8.299 -4.669 1.00 0.00 C ATOM 51 C LYS A 4 -0.176 6.969 -4.864 1.00 0.00 C ATOM 52 O LYS A 4 0.210 6.344 -3.869 1.00 0.00 O ATOM 53 CB LYS A 4 0.015 9.313 -3.941 1.00 0.00 C ATOM 54 CG LYS A 4 0.505 10.430 -4.870 1.00 0.00 C ATOM 55 CD LYS A 4 2.023 10.594 -4.784 1.00 0.00 C ATOM 56 CE LYS A 4 2.454 11.842 -5.553 1.00 0.00 C ATOM 57 NZ LYS A 4 2.229 13.090 -4.790 1.00 0.00 N ATOM 0 H LYS A 4 -1.914 8.009 -2.883 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.132 8.702 -5.651 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -0.535 9.751 -3.109 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.874 8.794 -3.517 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.218 10.204 -5.897 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.019 11.368 -4.602 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.331 10.674 -3.741 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.517 9.714 -5.195 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.511 11.761 -5.805 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.905 11.892 -6.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.538 13.905 -5.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.217 13.185 -4.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.773 13.058 -3.904 1.00 0.00 H new ATOM 71 N ILE A 5 -0.010 6.545 -6.116 1.00 0.00 N ATOM 72 CA ILE A 5 0.647 5.295 -6.493 1.00 0.00 C ATOM 73 C ILE A 5 1.506 5.566 -7.729 1.00 0.00 C ATOM 74 O ILE A 5 1.005 6.171 -8.679 1.00 0.00 O ATOM 75 CB ILE A 5 -0.391 4.174 -6.758 1.00 0.00 C ATOM 76 CG1 ILE A 5 -1.383 4.059 -5.579 1.00 0.00 C ATOM 77 CG2 ILE A 5 0.319 2.839 -7.039 1.00 0.00 C ATOM 78 CD1 ILE A 5 -2.300 2.831 -5.564 1.00 0.00 C ATOM 0 H ILE A 5 -0.339 7.079 -6.920 1.00 0.00 H new ATOM 0 HA ILE A 5 1.278 4.945 -5.676 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.969 4.433 -7.645 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.810 4.067 -4.651 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -2.010 4.951 -5.574 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.424 2.063 -7.223 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.958 2.944 -7.916 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.927 2.562 -6.178 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.946 2.870 -4.687 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.912 2.823 -6.466 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.695 1.925 -5.529 1.00 0.00 H new ATOM 90 N GLU A 6 2.760 5.117 -7.732 1.00 0.00 N ATOM 91 CA GLU A 6 3.661 5.120 -8.886 1.00 0.00 C ATOM 92 C GLU A 6 4.543 3.873 -8.872 1.00 0.00 C ATOM 93 O GLU A 6 4.532 3.091 -7.925 1.00 0.00 O ATOM 94 CB GLU A 6 4.572 6.363 -8.918 1.00 0.00 C ATOM 95 CG GLU A 6 3.828 7.685 -8.717 1.00 0.00 C ATOM 96 CD GLU A 6 4.646 8.927 -9.086 1.00 0.00 C ATOM 97 OE1 GLU A 6 5.469 8.884 -10.034 1.00 0.00 O ATOM 98 OE2 GLU A 6 4.385 9.998 -8.492 1.00 0.00 O ATOM 0 H GLU A 6 3.195 4.725 -6.897 1.00 0.00 H new ATOM 0 HA GLU A 6 3.029 5.134 -9.774 1.00 0.00 H new ATOM 0 HB2 GLU A 6 5.332 6.264 -8.143 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.094 6.394 -9.874 1.00 0.00 H new ATOM 0 HG2 GLU A 6 2.918 7.672 -9.316 1.00 0.00 H new ATOM 0 HG3 GLU A 6 3.522 7.762 -7.674 1.00 0.00 H new ATOM 105 N LYS A 7 5.370 3.708 -9.907 1.00 0.00 N ATOM 106 CA LYS A 7 6.375 2.654 -10.004 1.00 0.00 C ATOM 107 C LYS A 7 7.759 3.303 -9.899 1.00 0.00 C ATOM 108 O LYS A 7 8.313 3.725 -10.917 1.00 0.00 O ATOM 109 CB LYS A 7 6.221 1.840 -11.292 1.00 0.00 C ATOM 110 CG LYS A 7 4.892 1.082 -11.441 1.00 0.00 C ATOM 111 CD LYS A 7 3.684 1.976 -11.763 1.00 0.00 C ATOM 112 CE LYS A 7 2.692 1.306 -12.714 1.00 0.00 C ATOM 113 NZ LYS A 7 3.187 1.315 -14.109 1.00 0.00 N ATOM 0 H LYS A 7 5.356 4.322 -10.721 1.00 0.00 H new ATOM 0 HA LYS A 7 6.243 1.944 -9.188 1.00 0.00 H new ATOM 0 HB2 LYS A 7 6.333 2.513 -12.142 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.038 1.120 -11.346 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.999 0.338 -12.230 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.691 0.540 -10.517 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.173 2.237 -10.836 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.035 2.908 -12.207 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.518 0.278 -12.395 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.733 1.822 -12.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.490 0.853 -14.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.329 2.297 -14.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.090 0.801 -14.160 1.00 0.00 H new ATOM 127 N PRO A 8 8.291 3.528 -8.691 1.00 0.00 N ATOM 128 CA PRO A 8 9.591 4.165 -8.515 1.00 0.00 C ATOM 129 C PRO A 8 10.737 3.264 -8.987 1.00 0.00 C ATOM 130 O PRO A 8 10.612 2.033 -9.028 1.00 0.00 O ATOM 131 CB PRO A 8 9.683 4.468 -7.019 1.00 0.00 C ATOM 132 CG PRO A 8 8.750 3.451 -6.375 1.00 0.00 C ATOM 133 CD PRO A 8 7.656 3.262 -7.412 1.00 0.00 C ATOM 0 HA PRO A 8 9.682 5.070 -9.116 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.704 4.360 -6.653 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.372 5.489 -6.799 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.265 2.515 -6.160 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.348 3.818 -5.431 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.251 2.251 -7.377 1.00 0.00 H new ATOM 0 HD3 PRO A 8 6.825 3.945 -7.236 1.00 0.00 H new ATOM 141 N THR A 9 11.872 3.893 -9.302 1.00 0.00 N ATOM 142 CA THR A 9 13.143 3.224 -9.565 1.00 0.00 C ATOM 143 C THR A 9 13.531 2.376 -8.341 1.00 0.00 C ATOM 144 O THR A 9 13.309 2.817 -7.209 1.00 0.00 O ATOM 145 CB THR A 9 14.203 4.282 -9.929 1.00 0.00 C ATOM 146 OG1 THR A 9 15.428 3.685 -10.293 1.00 0.00 O ATOM 147 CG2 THR A 9 14.474 5.233 -8.766 1.00 0.00 C ATOM 0 H THR A 9 11.931 4.908 -9.383 1.00 0.00 H new ATOM 0 HA THR A 9 13.063 2.543 -10.413 1.00 0.00 H new ATOM 0 HB THR A 9 13.794 4.837 -10.773 1.00 0.00 H new ATOM 0 HG1 THR A 9 16.078 4.383 -10.519 1.00 0.00 H new ATOM 0 HG21 THR A 9 15.227 5.964 -9.062 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.553 5.749 -8.496 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.836 4.666 -7.909 1.00 0.00 H new ATOM 155 N PRO A 10 14.155 1.199 -8.520 1.00 0.00 N ATOM 156 CA PRO A 10 14.502 0.343 -7.396 1.00 0.00 C ATOM 157 C PRO A 10 15.599 0.939 -6.517 1.00 0.00 C ATOM 158 O PRO A 10 15.554 0.719 -5.308 1.00 0.00 O ATOM 159 CB PRO A 10 14.905 -0.999 -8.011 1.00 0.00 C ATOM 160 CG PRO A 10 15.376 -0.623 -9.416 1.00 0.00 C ATOM 161 CD PRO A 10 14.456 0.537 -9.781 1.00 0.00 C ATOM 0 HA PRO A 10 13.658 0.227 -6.716 1.00 0.00 H new ATOM 0 HB2 PRO A 10 15.697 -1.481 -7.438 1.00 0.00 H new ATOM 0 HB3 PRO A 10 14.066 -1.694 -8.042 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.425 -0.326 -9.425 1.00 0.00 H new ATOM 0 HG3 PRO A 10 15.274 -1.455 -10.113 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.942 1.220 -10.478 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.547 0.181 -10.265 1.00 0.00 H new ATOM 169 N GLU A 11 16.534 1.722 -7.072 1.00 0.00 N ATOM 170 CA GLU A 11 17.640 2.280 -6.292 1.00 0.00 C ATOM 171 C GLU A 11 17.114 3.158 -5.161 1.00 0.00 C ATOM 172 O GLU A 11 17.561 3.030 -4.025 1.00 0.00 O ATOM 173 CB GLU A 11 18.590 3.101 -7.170 1.00 0.00 C ATOM 174 CG GLU A 11 19.389 2.247 -8.156 1.00 0.00 C ATOM 175 CD GLU A 11 20.722 2.921 -8.472 1.00 0.00 C ATOM 176 OE1 GLU A 11 20.788 3.815 -9.347 1.00 0.00 O ATOM 177 OE2 GLU A 11 21.711 2.567 -7.784 1.00 0.00 O ATOM 0 H GLU A 11 16.544 1.982 -8.058 1.00 0.00 H new ATOM 0 HA GLU A 11 18.193 1.439 -5.873 1.00 0.00 H new ATOM 0 HB2 GLU A 11 18.013 3.841 -7.725 1.00 0.00 H new ATOM 0 HB3 GLU A 11 19.282 3.650 -6.531 1.00 0.00 H new ATOM 0 HG2 GLU A 11 19.564 1.257 -7.734 1.00 0.00 H new ATOM 0 HG3 GLU A 11 18.817 2.106 -9.073 1.00 0.00 H new ATOM 184 N LYS A 12 16.103 3.989 -5.443 1.00 0.00 N ATOM 185 CA LYS A 12 15.511 4.866 -4.440 1.00 0.00 C ATOM 186 C LYS A 12 15.024 4.027 -3.258 1.00 0.00 C ATOM 187 O LYS A 12 15.241 4.398 -2.110 1.00 0.00 O ATOM 188 CB LYS A 12 14.384 5.698 -5.077 1.00 0.00 C ATOM 189 CG LYS A 12 14.064 6.988 -4.305 1.00 0.00 C ATOM 190 CD LYS A 12 14.746 8.225 -4.914 1.00 0.00 C ATOM 191 CE LYS A 12 14.275 9.462 -4.144 1.00 0.00 C ATOM 192 NZ LYS A 12 14.736 10.742 -4.710 1.00 0.00 N ATOM 0 H LYS A 12 15.679 4.068 -6.367 1.00 0.00 H new ATOM 0 HA LYS A 12 16.254 5.568 -4.061 1.00 0.00 H new ATOM 0 HB2 LYS A 12 14.666 5.955 -6.098 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.483 5.088 -5.139 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.985 7.142 -4.292 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.382 6.875 -3.269 1.00 0.00 H new ATOM 0 HD2 LYS A 12 15.830 8.130 -4.853 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.493 8.316 -5.970 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.185 9.463 -4.114 1.00 0.00 H new ATOM 0 HE3 LYS A 12 14.622 9.388 -3.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.375 11.527 -4.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.776 10.765 -4.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 14.383 10.838 -5.684 1.00 0.00 H new ATOM 206 N LEU A 13 14.412 2.873 -3.527 1.00 0.00 N ATOM 207 CA LEU A 13 13.873 1.960 -2.523 1.00 0.00 C ATOM 208 C LEU A 13 14.991 1.275 -1.728 1.00 0.00 C ATOM 209 O LEU A 13 14.806 0.968 -0.544 1.00 0.00 O ATOM 210 CB LEU A 13 12.985 0.908 -3.208 1.00 0.00 C ATOM 211 CG LEU A 13 11.539 1.323 -3.522 1.00 0.00 C ATOM 212 CD1 LEU A 13 10.651 1.411 -2.288 1.00 0.00 C ATOM 213 CD2 LEU A 13 11.430 2.654 -4.262 1.00 0.00 C ATOM 0 H LEU A 13 14.274 2.539 -4.481 1.00 0.00 H new ATOM 0 HA LEU A 13 13.276 2.539 -1.819 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.465 0.614 -4.142 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.954 0.023 -2.573 1.00 0.00 H new ATOM 0 HG LEU A 13 11.189 0.518 -4.169 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.645 1.709 -2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.612 0.438 -1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.059 2.149 -1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.381 2.881 -4.449 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.870 3.445 -3.655 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.962 2.587 -5.211 1.00 0.00 H new ATOM 225 N LYS A 14 16.151 1.017 -2.341 1.00 0.00 N ATOM 226 CA LYS A 14 17.339 0.594 -1.613 1.00 0.00 C ATOM 227 C LYS A 14 17.732 1.700 -0.630 1.00 0.00 C ATOM 228 O LYS A 14 17.862 1.407 0.560 1.00 0.00 O ATOM 229 CB LYS A 14 18.457 0.195 -2.582 1.00 0.00 C ATOM 230 CG LYS A 14 17.946 -0.900 -3.531 1.00 0.00 C ATOM 231 CD LYS A 14 19.052 -1.714 -4.178 1.00 0.00 C ATOM 232 CE LYS A 14 18.388 -2.767 -5.083 1.00 0.00 C ATOM 233 NZ LYS A 14 19.327 -3.597 -5.875 1.00 0.00 N ATOM 0 H LYS A 14 16.287 1.096 -3.349 1.00 0.00 H new ATOM 0 HA LYS A 14 17.136 -0.303 -1.028 1.00 0.00 H new ATOM 0 HB2 LYS A 14 18.784 1.063 -3.154 1.00 0.00 H new ATOM 0 HB3 LYS A 14 19.323 -0.165 -2.027 1.00 0.00 H new ATOM 0 HG2 LYS A 14 17.290 -1.571 -2.977 1.00 0.00 H new ATOM 0 HG3 LYS A 14 17.343 -0.438 -4.312 1.00 0.00 H new ATOM 0 HD2 LYS A 14 19.711 -1.070 -4.760 1.00 0.00 H new ATOM 0 HD3 LYS A 14 19.667 -2.196 -3.418 1.00 0.00 H new ATOM 0 HE2 LYS A 14 17.780 -3.425 -4.463 1.00 0.00 H new ATOM 0 HE3 LYS A 14 17.710 -2.259 -5.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 18.789 -4.275 -6.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 19.892 -2.984 -6.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 19.960 -4.115 -5.232 1.00 0.00 H new ATOM 247 N GLU A 15 17.813 2.956 -1.085 1.00 0.00 N ATOM 248 CA GLU A 15 18.262 4.076 -0.247 1.00 0.00 C ATOM 249 C GLU A 15 17.318 4.293 0.927 1.00 0.00 C ATOM 250 O GLU A 15 17.750 4.395 2.074 1.00 0.00 O ATOM 251 CB GLU A 15 18.363 5.410 -0.998 1.00 0.00 C ATOM 252 CG GLU A 15 19.200 5.386 -2.274 1.00 0.00 C ATOM 253 CD GLU A 15 19.965 6.698 -2.453 1.00 0.00 C ATOM 254 OE1 GLU A 15 19.302 7.754 -2.594 1.00 0.00 O ATOM 255 OE2 GLU A 15 21.223 6.672 -2.432 1.00 0.00 O ATOM 0 H GLU A 15 17.571 3.224 -2.039 1.00 0.00 H new ATOM 0 HA GLU A 15 19.258 3.787 0.087 1.00 0.00 H new ATOM 0 HB2 GLU A 15 17.356 5.741 -1.251 1.00 0.00 H new ATOM 0 HB3 GLU A 15 18.783 6.156 -0.323 1.00 0.00 H new ATOM 0 HG2 GLU A 15 19.903 4.554 -2.237 1.00 0.00 H new ATOM 0 HG3 GLU A 15 18.553 5.218 -3.135 1.00 0.00 H new ATOM 262 N LEU A 16 16.013 4.328 0.634 1.00 0.00 N ATOM 263 CA LEU A 16 14.929 4.613 1.574 1.00 0.00 C ATOM 264 C LEU A 16 14.892 3.632 2.745 1.00 0.00 C ATOM 265 O LEU A 16 14.167 3.876 3.708 1.00 0.00 O ATOM 266 CB LEU A 16 13.578 4.608 0.839 1.00 0.00 C ATOM 267 CG LEU A 16 13.246 5.862 0.007 1.00 0.00 C ATOM 268 CD1 LEU A 16 11.825 5.716 -0.544 1.00 0.00 C ATOM 269 CD2 LEU A 16 13.404 7.154 0.809 1.00 0.00 C ATOM 0 H LEU A 16 15.671 4.150 -0.310 1.00 0.00 H new ATOM 0 HA LEU A 16 15.119 5.602 1.991 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.552 3.742 0.177 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.788 4.469 1.577 1.00 0.00 H new ATOM 0 HG LEU A 16 13.957 5.937 -0.816 1.00 0.00 H new ATOM 0 HD11 LEU A 16 11.572 6.595 -1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 16 11.768 4.827 -1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 16 11.122 5.622 0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.158 8.007 0.177 1.00 0.00 H new ATOM 0 HD22 LEU A 16 12.733 7.134 1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 16 14.434 7.244 1.155 1.00 0.00 H new ATOM 281 N SER A 17 15.716 2.581 2.699 1.00 0.00 N ATOM 282 CA SER A 17 16.062 1.712 3.813 1.00 0.00 C ATOM 283 C SER A 17 14.891 0.784 4.150 1.00 0.00 C ATOM 284 O SER A 17 14.722 0.380 5.294 1.00 0.00 O ATOM 285 CB SER A 17 16.550 2.535 5.017 1.00 0.00 C ATOM 286 OG SER A 17 17.417 3.614 4.668 1.00 0.00 O ATOM 0 H SER A 17 16.181 2.304 1.835 1.00 0.00 H new ATOM 0 HA SER A 17 16.895 1.071 3.525 1.00 0.00 H new ATOM 0 HB2 SER A 17 15.685 2.934 5.546 1.00 0.00 H new ATOM 0 HB3 SER A 17 17.070 1.873 5.710 1.00 0.00 H new ATOM 0 HG SER A 17 17.518 3.651 3.694 1.00 0.00 H new ATOM 292 N VAL A 18 14.077 0.451 3.147 1.00 0.00 N ATOM 293 CA VAL A 18 12.828 -0.289 3.258 1.00 0.00 C ATOM 294 C VAL A 18 13.014 -1.658 3.925 1.00 0.00 C ATOM 295 O VAL A 18 12.104 -2.118 4.603 1.00 0.00 O ATOM 296 CB VAL A 18 12.183 -0.369 1.860 1.00 0.00 C ATOM 297 CG1 VAL A 18 10.852 -1.110 1.865 1.00 0.00 C ATOM 298 CG2 VAL A 18 11.935 1.045 1.300 1.00 0.00 C ATOM 0 H VAL A 18 14.288 0.707 2.182 1.00 0.00 H new ATOM 0 HA VAL A 18 12.147 0.241 3.924 1.00 0.00 H new ATOM 0 HB VAL A 18 12.886 -0.920 1.236 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.445 -1.135 0.854 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.004 -2.129 2.220 1.00 0.00 H new ATOM 0 HG13 VAL A 18 10.152 -0.597 2.525 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.479 0.971 0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.267 1.589 1.968 1.00 0.00 H new ATOM 0 HG23 VAL A 18 12.883 1.577 1.223 1.00 0.00 H new ATOM 308 N GLU A 19 14.189 -2.286 3.836 1.00 0.00 N ATOM 309 CA GLU A 19 14.467 -3.513 4.593 1.00 0.00 C ATOM 310 C GLU A 19 14.348 -3.321 6.114 1.00 0.00 C ATOM 311 O GLU A 19 14.039 -4.271 6.833 1.00 0.00 O ATOM 312 CB GLU A 19 15.864 -4.060 4.252 1.00 0.00 C ATOM 313 CG GLU A 19 16.954 -2.991 4.438 1.00 0.00 C ATOM 314 CD GLU A 19 18.370 -3.500 4.674 1.00 0.00 C ATOM 315 OE1 GLU A 19 18.589 -4.720 4.848 1.00 0.00 O ATOM 316 OE2 GLU A 19 19.253 -2.618 4.754 1.00 0.00 O ATOM 0 H GLU A 19 14.961 -1.968 3.250 1.00 0.00 H new ATOM 0 HA GLU A 19 13.705 -4.232 4.293 1.00 0.00 H new ATOM 0 HB2 GLU A 19 16.084 -4.918 4.887 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.874 -4.415 3.221 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.963 -2.355 3.553 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.673 -2.360 5.281 1.00 0.00 H new ATOM 323 N LYS A 20 14.597 -2.104 6.604 1.00 0.00 N ATOM 324 CA LYS A 20 14.528 -1.751 8.010 1.00 0.00 C ATOM 325 C LYS A 20 13.100 -1.400 8.418 1.00 0.00 C ATOM 326 O LYS A 20 12.867 -1.185 9.611 1.00 0.00 O ATOM 327 CB LYS A 20 15.411 -0.519 8.286 1.00 0.00 C ATOM 328 CG LYS A 20 16.849 -0.599 7.764 1.00 0.00 C ATOM 329 CD LYS A 20 17.700 0.531 8.374 1.00 0.00 C ATOM 330 CE LYS A 20 18.912 0.010 9.145 1.00 0.00 C ATOM 331 NZ LYS A 20 18.555 -0.807 10.323 1.00 0.00 N ATOM 0 H LYS A 20 14.860 -1.318 6.009 1.00 0.00 H new ATOM 0 HA LYS A 20 14.873 -2.612 8.582 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.932 0.354 7.843 1.00 0.00 H new ATOM 0 HB3 LYS A 20 15.444 -0.353 9.363 1.00 0.00 H new ATOM 0 HG2 LYS A 20 17.282 -1.567 8.016 1.00 0.00 H new ATOM 0 HG3 LYS A 20 16.854 -0.521 6.677 1.00 0.00 H new ATOM 0 HD2 LYS A 20 18.039 1.194 7.578 1.00 0.00 H new ATOM 0 HD3 LYS A 20 17.079 1.127 9.043 1.00 0.00 H new ATOM 0 HE2 LYS A 20 19.531 -0.586 8.474 1.00 0.00 H new ATOM 0 HE3 LYS A 20 19.517 0.856 9.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 19.414 -1.028 10.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 17.892 -0.277 10.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 18.107 -1.691 10.009 1.00 0.00 H new ATOM 345 N TRP A 21 12.199 -1.194 7.457 1.00 0.00 N ATOM 346 CA TRP A 21 10.847 -0.762 7.746 1.00 0.00 C ATOM 347 C TRP A 21 10.075 -1.958 8.309 1.00 0.00 C ATOM 348 O TRP A 21 10.468 -3.104 8.076 1.00 0.00 O ATOM 349 CB TRP A 21 10.196 -0.212 6.473 1.00 0.00 C ATOM 350 CG TRP A 21 10.763 1.062 5.911 1.00 0.00 C ATOM 351 CD1 TRP A 21 11.939 1.645 6.245 1.00 0.00 C ATOM 352 CD2 TRP A 21 10.170 1.938 4.906 1.00 0.00 C ATOM 353 NE1 TRP A 21 12.121 2.789 5.505 1.00 0.00 N ATOM 354 CE2 TRP A 21 11.063 3.022 4.657 1.00 0.00 C ATOM 355 CE3 TRP A 21 8.946 1.942 4.207 1.00 0.00 C ATOM 356 CZ2 TRP A 21 10.773 4.035 3.730 1.00 0.00 C ATOM 357 CZ3 TRP A 21 8.608 2.992 3.330 1.00 0.00 C ATOM 358 CH2 TRP A 21 9.528 4.025 3.075 1.00 0.00 C ATOM 0 H TRP A 21 12.392 -1.323 6.464 1.00 0.00 H new ATOM 0 HA TRP A 21 10.842 0.040 8.484 1.00 0.00 H new ATOM 0 HB2 TRP A 21 10.259 -0.980 5.702 1.00 0.00 H new ATOM 0 HB3 TRP A 21 9.137 -0.051 6.677 1.00 0.00 H new ATOM 0 HD1 TRP A 21 12.631 1.267 6.983 1.00 0.00 H new ATOM 0 HE1 TRP A 21 12.941 3.392 5.576 1.00 0.00 H new ATOM 0 HE3 TRP A 21 8.254 1.125 4.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 11.495 4.811 3.522 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 7.640 3.004 2.852 1.00 0.00 H new ATOM 0 HH2 TRP A 21 9.279 4.810 2.377 1.00 0.00 H new ATOM 369 N PRO A 22 8.975 -1.728 9.034 1.00 0.00 N ATOM 370 CA PRO A 22 8.139 -2.813 9.508 1.00 0.00 C ATOM 371 C PRO A 22 7.452 -3.541 8.345 1.00 0.00 C ATOM 372 O PRO A 22 6.951 -2.928 7.395 1.00 0.00 O ATOM 373 CB PRO A 22 7.157 -2.156 10.469 1.00 0.00 C ATOM 374 CG PRO A 22 7.065 -0.714 9.976 1.00 0.00 C ATOM 375 CD PRO A 22 8.491 -0.445 9.520 1.00 0.00 C ATOM 0 HA PRO A 22 8.710 -3.594 10.010 1.00 0.00 H new ATOM 0 HB2 PRO A 22 6.185 -2.649 10.445 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.513 -2.204 11.498 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.349 -0.606 9.161 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.754 -0.031 10.767 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.519 0.311 8.735 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.106 -0.076 10.341 1.00 0.00 H new ATOM 383 N ILE A 23 7.446 -4.870 8.426 1.00 0.00 N ATOM 384 CA ILE A 23 6.631 -5.757 7.608 1.00 0.00 C ATOM 385 C ILE A 23 5.171 -5.655 8.051 1.00 0.00 C ATOM 386 O ILE A 23 4.871 -5.439 9.229 1.00 0.00 O ATOM 387 CB ILE A 23 7.222 -7.193 7.692 1.00 0.00 C ATOM 388 CG1 ILE A 23 8.488 -7.247 6.804 1.00 0.00 C ATOM 389 CG2 ILE A 23 6.262 -8.347 7.337 1.00 0.00 C ATOM 390 CD1 ILE A 23 9.254 -8.565 6.827 1.00 0.00 C ATOM 0 H ILE A 23 8.033 -5.375 9.090 1.00 0.00 H new ATOM 0 HA ILE A 23 6.648 -5.470 6.557 1.00 0.00 H new ATOM 0 HB ILE A 23 7.448 -7.365 8.744 1.00 0.00 H new ATOM 0 HG12 ILE A 23 8.197 -7.034 5.775 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.163 -6.450 7.116 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.786 -9.298 7.432 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.410 -8.333 8.016 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.911 -8.226 6.312 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.122 -8.493 6.171 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.585 -8.776 7.844 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.604 -9.370 6.482 1.00 0.00 H new ATOM 402 N TRP A 24 4.262 -5.867 7.099 1.00 0.00 N ATOM 403 CA TRP A 24 2.878 -6.209 7.353 1.00 0.00 C ATOM 404 C TRP A 24 2.446 -7.221 6.292 1.00 0.00 C ATOM 405 O TRP A 24 2.394 -6.896 5.102 1.00 0.00 O ATOM 406 CB TRP A 24 2.007 -4.956 7.373 1.00 0.00 C ATOM 407 CG TRP A 24 0.564 -5.207 7.679 1.00 0.00 C ATOM 408 CD1 TRP A 24 -0.008 -5.181 8.902 1.00 0.00 C ATOM 409 CD2 TRP A 24 -0.518 -5.476 6.748 1.00 0.00 C ATOM 410 NE1 TRP A 24 -1.374 -5.359 8.775 1.00 0.00 N ATOM 411 CE2 TRP A 24 -1.753 -5.460 7.455 1.00 0.00 C ATOM 412 CE3 TRP A 24 -0.578 -5.638 5.355 1.00 0.00 C ATOM 413 CZ2 TRP A 24 -2.993 -5.494 6.796 1.00 0.00 C ATOM 414 CZ3 TRP A 24 -1.807 -5.662 4.682 1.00 0.00 C ATOM 415 CH2 TRP A 24 -3.013 -5.558 5.391 1.00 0.00 C ATOM 0 H TRP A 24 4.483 -5.802 6.105 1.00 0.00 H new ATOM 0 HA TRP A 24 2.760 -6.663 8.337 1.00 0.00 H new ATOM 0 HB2 TRP A 24 2.407 -4.263 8.113 1.00 0.00 H new ATOM 0 HB3 TRP A 24 2.079 -4.463 6.403 1.00 0.00 H new ATOM 0 HD1 TRP A 24 0.519 -5.043 9.834 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -2.021 -5.409 9.562 1.00 0.00 H new ATOM 0 HE3 TRP A 24 0.338 -5.746 4.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -3.915 -5.471 7.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -1.826 -5.762 3.607 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -3.953 -5.527 4.860 1.00 0.00 H new ATOM 426 N GLU A 25 2.190 -8.458 6.716 1.00 0.00 N ATOM 427 CA GLU A 25 1.473 -9.481 5.944 1.00 0.00 C ATOM 428 C GLU A 25 -0.045 -9.377 6.186 1.00 0.00 C ATOM 429 O GLU A 25 -0.472 -8.696 7.124 1.00 0.00 O ATOM 430 CB GLU A 25 1.993 -10.898 6.272 1.00 0.00 C ATOM 431 CG GLU A 25 2.475 -11.089 7.716 1.00 0.00 C ATOM 432 CD GLU A 25 2.355 -12.537 8.183 1.00 0.00 C ATOM 433 OE1 GLU A 25 3.253 -13.351 7.888 1.00 0.00 O ATOM 434 OE2 GLU A 25 1.319 -12.841 8.827 1.00 0.00 O ATOM 0 H GLU A 25 2.484 -8.790 7.635 1.00 0.00 H new ATOM 0 HA GLU A 25 1.663 -9.300 4.886 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.198 -11.617 6.071 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.815 -11.134 5.596 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.514 -10.770 7.794 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.894 -10.447 8.378 1.00 0.00 H new ATOM 441 N LYS A 26 -0.889 -10.064 5.399 1.00 0.00 N ATOM 442 CA LYS A 26 -2.307 -10.285 5.729 1.00 0.00 C ATOM 443 C LYS A 26 -2.819 -11.533 5.009 1.00 0.00 C ATOM 444 O LYS A 26 -2.209 -11.956 4.033 1.00 0.00 O ATOM 445 CB LYS A 26 -3.127 -9.047 5.320 1.00 0.00 C ATOM 446 CG LYS A 26 -4.529 -8.876 5.938 1.00 0.00 C ATOM 447 CD LYS A 26 -4.513 -8.932 7.471 1.00 0.00 C ATOM 448 CE LYS A 26 -5.802 -8.562 8.212 1.00 0.00 C ATOM 449 NZ LYS A 26 -5.729 -8.923 9.644 1.00 0.00 N ATOM 0 H LYS A 26 -0.606 -10.483 4.513 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.414 -10.439 6.803 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.542 -8.161 5.567 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.239 -9.063 4.236 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.948 -7.922 5.618 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.187 -9.657 5.557 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.235 -9.944 7.766 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.722 -8.269 7.822 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.984 -7.492 8.115 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.647 -9.072 7.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.618 -8.658 10.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.580 -9.948 9.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.937 -8.417 10.090 1.00 0.00 H new ATOM 463 N GLU A 27 -3.949 -12.079 5.464 1.00 0.00 N ATOM 464 CA GLU A 27 -4.663 -13.169 4.797 1.00 0.00 C ATOM 465 C GLU A 27 -5.392 -12.674 3.558 1.00 0.00 C ATOM 466 O GLU A 27 -5.595 -11.475 3.371 1.00 0.00 O ATOM 467 CB GLU A 27 -5.699 -13.799 5.728 1.00 0.00 C ATOM 468 CG GLU A 27 -5.338 -15.170 6.293 1.00 0.00 C ATOM 469 CD GLU A 27 -5.602 -16.281 5.281 1.00 0.00 C ATOM 470 OE1 GLU A 27 -4.891 -16.301 4.247 1.00 0.00 O ATOM 471 OE2 GLU A 27 -6.534 -17.082 5.491 1.00 0.00 O ATOM 0 H GLU A 27 -4.402 -11.769 6.324 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.912 -13.907 4.517 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.873 -13.118 6.561 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.641 -13.887 5.186 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.287 -15.181 6.580 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.917 -15.356 7.198 1.00 0.00 H new ATOM 478 N VAL A 28 -5.894 -13.640 2.801 1.00 0.00 N ATOM 479 CA VAL A 28 -6.716 -13.487 1.607 1.00 0.00 C ATOM 480 C VAL A 28 -8.176 -13.233 2.019 1.00 0.00 C ATOM 481 O VAL A 28 -9.030 -14.113 1.920 1.00 0.00 O ATOM 482 CB VAL A 28 -6.467 -14.703 0.677 1.00 0.00 C ATOM 483 CG1 VAL A 28 -6.810 -16.081 1.280 1.00 0.00 C ATOM 484 CG2 VAL A 28 -7.172 -14.558 -0.672 1.00 0.00 C ATOM 0 H VAL A 28 -5.726 -14.622 3.021 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.444 -12.611 1.017 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.386 -14.685 0.538 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.599 -16.861 0.548 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.207 -16.248 2.172 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.867 -16.109 1.546 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.966 -15.435 -1.286 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.247 -14.470 -0.513 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.806 -13.666 -1.180 1.00 0.00 H new ATOM 494 N SER A 29 -8.469 -12.051 2.559 1.00 0.00 N ATOM 495 CA SER A 29 -9.798 -11.679 3.042 1.00 0.00 C ATOM 496 C SER A 29 -10.158 -10.275 2.537 1.00 0.00 C ATOM 497 O SER A 29 -9.454 -9.719 1.693 1.00 0.00 O ATOM 498 CB SER A 29 -9.815 -11.824 4.574 1.00 0.00 C ATOM 499 OG SER A 29 -10.939 -12.572 4.999 1.00 0.00 O ATOM 0 H SER A 29 -7.776 -11.311 2.675 1.00 0.00 H new ATOM 0 HA SER A 29 -10.572 -12.339 2.650 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.900 -12.314 4.907 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.834 -10.837 5.036 1.00 0.00 H new ATOM 0 HG SER A 29 -10.928 -12.653 5.976 1.00 0.00 H new ATOM 505 N GLU A 30 -11.254 -9.683 3.016 1.00 0.00 N ATOM 506 CA GLU A 30 -11.567 -8.284 2.746 1.00 0.00 C ATOM 507 C GLU A 30 -11.911 -7.596 4.057 1.00 0.00 C ATOM 508 O GLU A 30 -12.381 -8.248 4.995 1.00 0.00 O ATOM 509 CB GLU A 30 -12.678 -8.133 1.689 1.00 0.00 C ATOM 510 CG GLU A 30 -14.115 -8.283 2.231 1.00 0.00 C ATOM 511 CD GLU A 30 -15.185 -8.179 1.138 1.00 0.00 C ATOM 512 OE1 GLU A 30 -14.959 -7.524 0.099 1.00 0.00 O ATOM 513 OE2 GLU A 30 -16.263 -8.805 1.287 1.00 0.00 O ATOM 0 H GLU A 30 -11.944 -10.159 3.598 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.693 -7.797 2.315 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.583 -7.154 1.220 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.520 -8.877 0.908 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.209 -9.246 2.732 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -14.296 -7.514 2.982 1.00 0.00 H new ATOM 520 N PHE A 31 -11.699 -6.282 4.091 1.00 0.00 N ATOM 521 CA PHE A 31 -12.077 -5.414 5.186 1.00 0.00 C ATOM 522 C PHE A 31 -12.120 -3.972 4.671 1.00 0.00 C ATOM 523 O PHE A 31 -12.092 -3.722 3.465 1.00 0.00 O ATOM 524 CB PHE A 31 -11.139 -5.629 6.394 1.00 0.00 C ATOM 525 CG PHE A 31 -9.639 -5.620 6.153 1.00 0.00 C ATOM 526 CD1 PHE A 31 -8.952 -4.404 5.982 1.00 0.00 C ATOM 527 CD2 PHE A 31 -8.915 -6.829 6.205 1.00 0.00 C ATOM 528 CE1 PHE A 31 -7.553 -4.389 5.871 1.00 0.00 C ATOM 529 CE2 PHE A 31 -7.512 -6.819 6.099 1.00 0.00 C ATOM 530 CZ PHE A 31 -6.838 -5.596 5.941 1.00 0.00 C ATOM 0 H PHE A 31 -11.243 -5.783 3.327 1.00 0.00 H new ATOM 0 HA PHE A 31 -13.074 -5.654 5.554 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -11.362 -4.856 7.129 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -11.397 -6.586 6.849 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.504 -3.477 5.936 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.439 -7.765 6.327 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.029 -3.455 5.733 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.957 -7.745 6.139 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.760 -5.584 5.873 1.00 0.00 H new ATOM 540 N ASP A 32 -12.201 -3.002 5.575 1.00 0.00 N ATOM 541 CA ASP A 32 -12.026 -1.582 5.296 1.00 0.00 C ATOM 542 C ASP A 32 -10.880 -1.079 6.146 1.00 0.00 C ATOM 543 O ASP A 32 -10.597 -1.639 7.211 1.00 0.00 O ATOM 544 CB ASP A 32 -13.295 -0.768 5.574 1.00 0.00 C ATOM 545 CG ASP A 32 -13.848 -0.983 6.985 1.00 0.00 C ATOM 546 OD1 ASP A 32 -14.596 -1.965 7.175 1.00 0.00 O ATOM 547 OD2 ASP A 32 -13.492 -0.211 7.913 1.00 0.00 O ATOM 0 H ASP A 32 -12.398 -3.190 6.558 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.810 -1.456 4.235 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.079 0.291 5.432 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -14.060 -1.038 4.845 1.00 0.00 H new ATOM 552 N TRP A 33 -10.199 -0.036 5.677 1.00 0.00 N ATOM 553 CA TRP A 33 -9.093 0.557 6.405 1.00 0.00 C ATOM 554 C TRP A 33 -9.174 2.080 6.377 1.00 0.00 C ATOM 555 O TRP A 33 -9.672 2.665 5.409 1.00 0.00 O ATOM 556 CB TRP A 33 -7.781 0.024 5.827 1.00 0.00 C ATOM 557 CG TRP A 33 -6.653 0.164 6.785 1.00 0.00 C ATOM 558 CD1 TRP A 33 -5.787 1.197 6.846 1.00 0.00 C ATOM 559 CD2 TRP A 33 -6.366 -0.676 7.938 1.00 0.00 C ATOM 560 NE1 TRP A 33 -4.931 1.014 7.908 1.00 0.00 N ATOM 561 CE2 TRP A 33 -5.263 -0.109 8.639 1.00 0.00 C ATOM 562 CE3 TRP A 33 -6.970 -1.828 8.487 1.00 0.00 C ATOM 563 CZ2 TRP A 33 -4.768 -0.679 9.817 1.00 0.00 C ATOM 564 CZ3 TRP A 33 -6.489 -2.397 9.680 1.00 0.00 C ATOM 565 CH2 TRP A 33 -5.389 -1.823 10.340 1.00 0.00 C ATOM 0 H TRP A 33 -10.401 0.416 4.785 1.00 0.00 H new ATOM 0 HA TRP A 33 -9.143 0.275 7.457 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -7.902 -1.026 5.561 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -7.545 0.561 4.908 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -5.768 2.037 6.167 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -4.149 1.631 8.128 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -7.813 -2.278 7.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -3.917 -0.243 10.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -6.965 -3.276 10.089 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -5.020 -2.265 11.254 1.00 0.00 H new ATOM 576 N TYR A 34 -8.630 2.724 7.409 1.00 0.00 N ATOM 577 CA TYR A 34 -8.671 4.163 7.628 1.00 0.00 C ATOM 578 C TYR A 34 -7.226 4.628 7.783 1.00 0.00 C ATOM 579 O TYR A 34 -6.472 4.044 8.565 1.00 0.00 O ATOM 580 CB TYR A 34 -9.516 4.455 8.882 1.00 0.00 C ATOM 581 CG TYR A 34 -10.197 5.814 8.930 1.00 0.00 C ATOM 582 CD1 TYR A 34 -9.456 7.010 8.868 1.00 0.00 C ATOM 583 CD2 TYR A 34 -11.601 5.876 9.031 1.00 0.00 C ATOM 584 CE1 TYR A 34 -10.104 8.258 8.919 1.00 0.00 C ATOM 585 CE2 TYR A 34 -12.261 7.116 9.087 1.00 0.00 C ATOM 586 CZ TYR A 34 -11.511 8.315 9.039 1.00 0.00 C ATOM 587 OH TYR A 34 -12.162 9.513 9.033 1.00 0.00 O ATOM 0 H TYR A 34 -8.127 2.231 8.147 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.133 4.698 6.799 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.282 3.684 8.966 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.873 4.362 9.758 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.380 6.969 8.780 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -12.176 4.962 9.066 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.528 9.170 8.867 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.337 7.153 9.166 1.00 0.00 H new ATOM 0 HH TYR A 34 -13.126 9.362 9.124 1.00 0.00 H new ATOM 597 N TYR A 35 -6.821 5.659 7.049 1.00 0.00 N ATOM 598 CA TYR A 35 -5.509 6.277 7.152 1.00 0.00 C ATOM 599 C TYR A 35 -5.716 7.664 7.742 1.00 0.00 C ATOM 600 O TYR A 35 -6.361 8.505 7.117 1.00 0.00 O ATOM 601 CB TYR A 35 -4.799 6.299 5.794 1.00 0.00 C ATOM 602 CG TYR A 35 -4.503 4.913 5.252 1.00 0.00 C ATOM 603 CD1 TYR A 35 -3.432 4.175 5.789 1.00 0.00 C ATOM 604 CD2 TYR A 35 -5.281 4.358 4.218 1.00 0.00 C ATOM 605 CE1 TYR A 35 -3.165 2.869 5.347 1.00 0.00 C ATOM 606 CE2 TYR A 35 -4.997 3.059 3.746 1.00 0.00 C ATOM 607 CZ TYR A 35 -3.945 2.304 4.320 1.00 0.00 C ATOM 608 OH TYR A 35 -3.692 1.031 3.906 1.00 0.00 O ATOM 0 H TYR A 35 -7.416 6.099 6.346 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.850 5.703 7.804 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.418 6.838 5.077 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.865 6.852 5.889 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -2.808 4.618 6.551 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.093 4.925 3.787 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.363 2.300 5.794 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -5.585 2.638 2.943 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.260 1.053 3.027 1.00 0.00 H new ATOM 618 N ASP A 36 -5.241 7.886 8.966 1.00 0.00 N ATOM 619 CA ASP A 36 -5.401 9.129 9.718 1.00 0.00 C ATOM 620 C ASP A 36 -4.091 9.895 9.876 1.00 0.00 C ATOM 621 O ASP A 36 -4.108 10.965 10.485 1.00 0.00 O ATOM 622 CB ASP A 36 -6.148 8.912 11.046 1.00 0.00 C ATOM 623 CG ASP A 36 -5.354 8.524 12.306 1.00 0.00 C ATOM 624 OD1 ASP A 36 -4.109 8.636 12.389 1.00 0.00 O ATOM 625 OD2 ASP A 36 -6.031 8.159 13.297 1.00 0.00 O ATOM 0 H ASP A 36 -4.715 7.179 9.480 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.041 9.777 9.119 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.689 9.831 11.271 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.895 8.136 10.878 1.00 0.00 H new ATOM 630 N THR A 37 -3.010 9.385 9.279 1.00 0.00 N ATOM 631 CA THR A 37 -1.700 9.984 9.006 1.00 0.00 C ATOM 632 C THR A 37 -1.191 9.415 7.679 1.00 0.00 C ATOM 633 O THR A 37 -1.806 8.499 7.128 1.00 0.00 O ATOM 634 CB THR A 37 -0.736 9.754 10.185 1.00 0.00 C ATOM 635 OG1 THR A 37 -0.797 8.419 10.651 1.00 0.00 O ATOM 636 CG2 THR A 37 -1.113 10.715 11.316 1.00 0.00 C ATOM 0 H THR A 37 -3.036 8.426 8.934 1.00 0.00 H new ATOM 0 HA THR A 37 -1.776 11.067 8.907 1.00 0.00 H new ATOM 0 HB THR A 37 0.284 9.939 9.848 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.173 8.304 11.398 1.00 0.00 H new ATOM 0 HG21 THR A 37 -0.440 10.566 12.160 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.030 11.743 10.963 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.138 10.522 11.631 1.00 0.00 H new ATOM 644 N ASN A 38 -0.093 9.964 7.152 1.00 0.00 N ATOM 645 CA ASN A 38 0.524 9.444 5.937 1.00 0.00 C ATOM 646 C ASN A 38 1.003 8.025 6.222 1.00 0.00 C ATOM 647 O ASN A 38 1.441 7.711 7.333 1.00 0.00 O ATOM 648 CB ASN A 38 1.724 10.289 5.508 1.00 0.00 C ATOM 649 CG ASN A 38 1.475 11.783 5.404 1.00 0.00 C ATOM 650 OD1 ASN A 38 0.651 12.245 4.611 1.00 0.00 O ATOM 651 ND2 ASN A 38 2.205 12.574 6.172 1.00 0.00 N ATOM 0 H ASN A 38 0.385 10.771 7.552 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.211 9.468 5.133 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.534 10.123 6.218 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.071 9.929 4.539 1.00 0.00 H new ATOM 0 HD21 ASN A 38 2.092 13.586 6.115 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.881 12.172 6.821 1.00 0.00 H new ATOM 658 N GLU A 39 1.011 7.189 5.193 1.00 0.00 N ATOM 659 CA GLU A 39 1.681 5.903 5.235 1.00 0.00 C ATOM 660 C GLU A 39 2.203 5.644 3.836 1.00 0.00 C ATOM 661 O GLU A 39 1.394 5.494 2.912 1.00 0.00 O ATOM 662 CB GLU A 39 0.713 4.795 5.676 1.00 0.00 C ATOM 663 CG GLU A 39 1.465 3.467 5.782 1.00 0.00 C ATOM 664 CD GLU A 39 0.526 2.314 6.126 1.00 0.00 C ATOM 665 OE1 GLU A 39 0.200 2.114 7.312 1.00 0.00 O ATOM 666 OE2 GLU A 39 0.130 1.557 5.207 1.00 0.00 O ATOM 0 H GLU A 39 0.551 7.387 4.304 1.00 0.00 H new ATOM 0 HA GLU A 39 2.495 5.909 5.959 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.267 5.050 6.638 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.104 4.706 4.960 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.969 3.257 4.838 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.239 3.547 6.545 1.00 0.00 H new ATOM 673 N THR A 40 3.525 5.586 3.675 1.00 0.00 N ATOM 674 CA THR A 40 4.147 5.085 2.456 1.00 0.00 C ATOM 675 C THR A 40 4.320 3.578 2.609 1.00 0.00 C ATOM 676 O THR A 40 4.643 3.108 3.702 1.00 0.00 O ATOM 677 CB THR A 40 5.468 5.833 2.210 1.00 0.00 C ATOM 678 OG1 THR A 40 5.125 7.160 1.883 1.00 0.00 O ATOM 679 CG2 THR A 40 6.282 5.301 1.030 1.00 0.00 C ATOM 0 H THR A 40 4.191 5.885 4.387 1.00 0.00 H new ATOM 0 HA THR A 40 3.529 5.264 1.576 1.00 0.00 H new ATOM 0 HB THR A 40 6.075 5.719 3.108 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.194 7.722 2.683 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.197 5.884 0.927 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.536 4.255 1.205 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.694 5.384 0.116 1.00 0.00 H new ATOM 687 N CYS A 41 4.116 2.816 1.535 1.00 0.00 N ATOM 688 CA CYS A 41 4.294 1.378 1.560 1.00 0.00 C ATOM 689 C CYS A 41 4.721 0.885 0.193 1.00 0.00 C ATOM 690 O CYS A 41 4.299 1.432 -0.825 1.00 0.00 O ATOM 691 CB CYS A 41 2.975 0.709 1.940 1.00 0.00 C ATOM 692 SG CYS A 41 3.167 -0.761 2.942 1.00 0.00 S ATOM 0 H CYS A 41 3.824 3.184 0.629 1.00 0.00 H new ATOM 0 HA CYS A 41 5.062 1.129 2.292 1.00 0.00 H new ATOM 0 HB2 CYS A 41 2.358 1.427 2.481 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.436 0.448 1.029 1.00 0.00 H new ATOM 0 HG CYS A 41 2.164 -0.861 3.763 1.00 0.00 H new ATOM 698 N TYR A 42 5.481 -0.201 0.206 1.00 0.00 N ATOM 699 CA TYR A 42 6.056 -0.844 -0.967 1.00 0.00 C ATOM 700 C TYR A 42 5.636 -2.313 -0.965 1.00 0.00 C ATOM 701 O TYR A 42 6.008 -3.067 -0.062 1.00 0.00 O ATOM 702 CB TYR A 42 7.581 -0.678 -0.977 1.00 0.00 C ATOM 703 CG TYR A 42 8.223 -1.145 -2.260 1.00 0.00 C ATOM 704 CD1 TYR A 42 8.008 -0.422 -3.443 1.00 0.00 C ATOM 705 CD2 TYR A 42 8.990 -2.319 -2.282 1.00 0.00 C ATOM 706 CE1 TYR A 42 8.509 -0.888 -4.667 1.00 0.00 C ATOM 707 CE2 TYR A 42 9.461 -2.821 -3.509 1.00 0.00 C ATOM 708 CZ TYR A 42 9.190 -2.121 -4.707 1.00 0.00 C ATOM 709 OH TYR A 42 9.592 -2.628 -5.902 1.00 0.00 O ATOM 0 H TYR A 42 5.724 -0.679 1.073 1.00 0.00 H new ATOM 0 HA TYR A 42 5.687 -0.375 -1.879 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.826 0.372 -0.817 1.00 0.00 H new ATOM 0 HB3 TYR A 42 8.006 -1.235 -0.142 1.00 0.00 H new ATOM 0 HD1 TYR A 42 7.451 0.503 -3.411 1.00 0.00 H new ATOM 0 HD2 TYR A 42 9.218 -2.835 -1.361 1.00 0.00 H new ATOM 0 HE1 TYR A 42 8.374 -0.309 -5.568 1.00 0.00 H new ATOM 0 HE2 TYR A 42 10.029 -3.739 -3.536 1.00 0.00 H new ATOM 0 HH TYR A 42 10.048 -3.483 -5.758 1.00 0.00 H new ATOM 719 N ILE A 43 4.799 -2.680 -1.931 1.00 0.00 N ATOM 720 CA ILE A 43 4.314 -4.012 -2.253 1.00 0.00 C ATOM 721 C ILE A 43 5.487 -4.805 -2.823 1.00 0.00 C ATOM 722 O ILE A 43 6.033 -4.432 -3.860 1.00 0.00 O ATOM 723 CB ILE A 43 3.164 -3.929 -3.293 1.00 0.00 C ATOM 724 CG1 ILE A 43 2.138 -2.788 -3.087 1.00 0.00 C ATOM 725 CG2 ILE A 43 2.434 -5.280 -3.372 1.00 0.00 C ATOM 726 CD1 ILE A 43 1.476 -2.676 -1.708 1.00 0.00 C ATOM 0 H ILE A 43 4.408 -1.984 -2.566 1.00 0.00 H new ATOM 0 HA ILE A 43 3.922 -4.501 -1.361 1.00 0.00 H new ATOM 0 HB ILE A 43 3.660 -3.685 -4.232 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.638 -1.843 -3.299 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.350 -2.905 -3.831 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.628 -5.216 -4.103 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.137 -6.056 -3.674 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.019 -5.527 -2.395 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.782 -1.836 -1.705 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.934 -3.596 -1.489 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.242 -2.517 -0.949 1.00 0.00 H new ATOM 738 N LEU A 44 5.858 -5.916 -2.180 1.00 0.00 N ATOM 739 CA LEU A 44 6.947 -6.759 -2.681 1.00 0.00 C ATOM 740 C LEU A 44 6.444 -8.093 -3.207 1.00 0.00 C ATOM 741 O LEU A 44 7.099 -8.687 -4.063 1.00 0.00 O ATOM 742 CB LEU A 44 8.001 -7.001 -1.593 1.00 0.00 C ATOM 743 CG LEU A 44 8.576 -5.683 -1.042 1.00 0.00 C ATOM 744 CD1 LEU A 44 8.180 -5.488 0.423 1.00 0.00 C ATOM 745 CD2 LEU A 44 10.099 -5.647 -1.131 1.00 0.00 C ATOM 0 H LEU A 44 5.425 -6.250 -1.319 1.00 0.00 H new ATOM 0 HA LEU A 44 7.402 -6.218 -3.510 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.556 -7.571 -0.778 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.810 -7.607 -2.001 1.00 0.00 H new ATOM 0 HG LEU A 44 8.161 -4.884 -1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.597 -4.551 0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.094 -5.459 0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.567 -6.316 1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 44 10.465 -4.701 -0.732 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.517 -6.470 -0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.405 -5.744 -2.173 1.00 0.00 H new ATOM 757 N GLU A 45 5.289 -8.547 -2.724 1.00 0.00 N ATOM 758 CA GLU A 45 4.617 -9.769 -3.131 1.00 0.00 C ATOM 759 C GLU A 45 3.139 -9.656 -2.719 1.00 0.00 C ATOM 760 O GLU A 45 2.816 -8.895 -1.797 1.00 0.00 O ATOM 761 CB GLU A 45 5.331 -10.988 -2.500 1.00 0.00 C ATOM 762 CG GLU A 45 5.365 -10.990 -0.960 1.00 0.00 C ATOM 763 CD GLU A 45 6.322 -12.039 -0.372 1.00 0.00 C ATOM 764 OE1 GLU A 45 6.195 -13.251 -0.691 1.00 0.00 O ATOM 765 OE2 GLU A 45 7.164 -11.692 0.482 1.00 0.00 O ATOM 0 H GLU A 45 4.774 -8.043 -2.002 1.00 0.00 H new ATOM 0 HA GLU A 45 4.658 -9.912 -4.211 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.836 -11.898 -2.840 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.355 -11.025 -2.872 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.661 -10.001 -0.609 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.359 -11.174 -0.582 1.00 0.00 H new ATOM 772 N GLY A 46 2.259 -10.416 -3.377 1.00 0.00 N ATOM 773 CA GLY A 46 0.815 -10.462 -3.161 1.00 0.00 C ATOM 774 C GLY A 46 0.073 -9.336 -3.886 1.00 0.00 C ATOM 775 O GLY A 46 0.678 -8.504 -4.573 1.00 0.00 O ATOM 0 H GLY A 46 2.556 -11.052 -4.117 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.431 -11.423 -3.503 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.609 -10.398 -2.092 1.00 0.00 H new ATOM 779 N LYS A 47 -1.261 -9.326 -3.779 1.00 0.00 N ATOM 780 CA LYS A 47 -2.135 -8.498 -4.609 1.00 0.00 C ATOM 781 C LYS A 47 -3.282 -7.976 -3.760 1.00 0.00 C ATOM 782 O LYS A 47 -3.853 -8.709 -2.948 1.00 0.00 O ATOM 783 CB LYS A 47 -2.701 -9.309 -5.786 1.00 0.00 C ATOM 784 CG LYS A 47 -2.486 -8.603 -7.130 1.00 0.00 C ATOM 785 CD LYS A 47 -3.243 -7.286 -7.364 1.00 0.00 C ATOM 786 CE LYS A 47 -4.765 -7.409 -7.447 1.00 0.00 C ATOM 787 NZ LYS A 47 -5.191 -8.359 -8.500 1.00 0.00 N ATOM 0 H LYS A 47 -1.767 -9.900 -3.105 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.553 -7.667 -5.008 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.225 -10.289 -5.812 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.767 -9.476 -5.631 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.420 -8.403 -7.239 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.763 -9.297 -7.924 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.995 -6.596 -6.558 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.881 -6.838 -8.289 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.155 -7.738 -6.484 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.197 -6.429 -7.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.225 -8.323 -8.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.745 -8.099 -9.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.902 -9.323 -8.236 1.00 0.00 H new ATOM 801 N VAL A 48 -3.690 -6.743 -4.020 1.00 0.00 N ATOM 802 CA VAL A 48 -4.753 -6.063 -3.297 1.00 0.00 C ATOM 803 C VAL A 48 -5.606 -5.320 -4.329 1.00 0.00 C ATOM 804 O VAL A 48 -5.135 -4.991 -5.424 1.00 0.00 O ATOM 805 CB VAL A 48 -4.124 -5.143 -2.209 1.00 0.00 C ATOM 806 CG1 VAL A 48 -5.140 -4.308 -1.406 1.00 0.00 C ATOM 807 CG2 VAL A 48 -3.304 -5.943 -1.181 1.00 0.00 C ATOM 0 H VAL A 48 -3.280 -6.173 -4.760 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.407 -6.752 -2.762 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.495 -4.469 -2.790 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.612 -3.699 -0.673 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.695 -3.660 -2.084 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.833 -4.974 -0.892 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.884 -5.262 -0.441 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.950 -6.666 -0.683 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.496 -6.469 -1.690 1.00 0.00 H new ATOM 817 N GLU A 49 -6.860 -5.048 -3.973 1.00 0.00 N ATOM 818 CA GLU A 49 -7.707 -4.044 -4.581 1.00 0.00 C ATOM 819 C GLU A 49 -8.176 -3.124 -3.457 1.00 0.00 C ATOM 820 O GLU A 49 -8.835 -3.572 -2.515 1.00 0.00 O ATOM 821 CB GLU A 49 -8.898 -4.684 -5.309 1.00 0.00 C ATOM 822 CG GLU A 49 -8.544 -4.969 -6.773 1.00 0.00 C ATOM 823 CD GLU A 49 -9.728 -5.424 -7.634 1.00 0.00 C ATOM 824 OE1 GLU A 49 -10.900 -5.442 -7.178 1.00 0.00 O ATOM 825 OE2 GLU A 49 -9.496 -5.759 -8.816 1.00 0.00 O ATOM 0 H GLU A 49 -7.327 -5.549 -3.217 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.156 -3.482 -5.336 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.181 -5.611 -4.810 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.761 -4.020 -5.260 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.116 -4.068 -7.213 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.771 -5.737 -6.804 1.00 0.00 H new ATOM 832 N VAL A 50 -7.822 -1.845 -3.530 1.00 0.00 N ATOM 833 CA VAL A 50 -8.386 -0.825 -2.654 1.00 0.00 C ATOM 834 C VAL A 50 -9.560 -0.218 -3.414 1.00 0.00 C ATOM 835 O VAL A 50 -9.372 0.491 -4.405 1.00 0.00 O ATOM 836 CB VAL A 50 -7.318 0.208 -2.243 1.00 0.00 C ATOM 837 CG1 VAL A 50 -7.862 1.220 -1.219 1.00 0.00 C ATOM 838 CG2 VAL A 50 -6.081 -0.494 -1.649 1.00 0.00 C ATOM 0 H VAL A 50 -7.138 -1.487 -4.196 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.737 -1.243 -1.710 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.037 0.748 -3.147 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.077 1.930 -0.957 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.707 1.756 -1.651 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.188 0.692 -0.323 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.340 0.253 -1.366 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.375 -1.066 -0.769 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.653 -1.167 -2.392 1.00 0.00 H new ATOM 848 N THR A 51 -10.775 -0.549 -2.988 1.00 0.00 N ATOM 849 CA THR A 51 -12.003 -0.028 -3.564 1.00 0.00 C ATOM 850 C THR A 51 -12.405 1.206 -2.752 1.00 0.00 C ATOM 851 O THR A 51 -12.823 1.095 -1.591 1.00 0.00 O ATOM 852 CB THR A 51 -13.071 -1.128 -3.569 1.00 0.00 C ATOM 853 OG1 THR A 51 -12.574 -2.316 -4.162 1.00 0.00 O ATOM 854 CG2 THR A 51 -14.313 -0.696 -4.350 1.00 0.00 C ATOM 0 H THR A 51 -10.933 -1.199 -2.218 1.00 0.00 H new ATOM 0 HA THR A 51 -11.875 0.276 -4.603 1.00 0.00 H new ATOM 0 HB THR A 51 -13.336 -1.310 -2.527 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.272 -3.003 -4.152 1.00 0.00 H new ATOM 0 HG21 THR A 51 -15.050 -1.499 -4.334 1.00 0.00 H new ATOM 0 HG22 THR A 51 -14.739 0.197 -3.892 1.00 0.00 H new ATOM 0 HG23 THR A 51 -14.037 -0.478 -5.382 1.00 0.00 H new ATOM 862 N THR A 52 -12.218 2.395 -3.319 1.00 0.00 N ATOM 863 CA THR A 52 -12.525 3.630 -2.622 1.00 0.00 C ATOM 864 C THR A 52 -14.036 3.786 -2.447 1.00 0.00 C ATOM 865 O THR A 52 -14.827 3.038 -3.031 1.00 0.00 O ATOM 866 CB THR A 52 -11.843 4.839 -3.296 1.00 0.00 C ATOM 867 OG1 THR A 52 -12.473 5.211 -4.508 1.00 0.00 O ATOM 868 CG2 THR A 52 -10.357 4.568 -3.575 1.00 0.00 C ATOM 0 H THR A 52 -11.854 2.524 -4.263 1.00 0.00 H new ATOM 0 HA THR A 52 -12.106 3.587 -1.617 1.00 0.00 H new ATOM 0 HB THR A 52 -11.938 5.661 -2.587 1.00 0.00 H new ATOM 0 HG1 THR A 52 -12.007 5.981 -4.896 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.911 5.442 -4.050 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.842 4.362 -2.636 1.00 0.00 H new ATOM 0 HG23 THR A 52 -10.262 3.707 -4.237 1.00 0.00 H new ATOM 876 N GLU A 53 -14.459 4.746 -1.627 1.00 0.00 N ATOM 877 CA GLU A 53 -15.877 5.103 -1.543 1.00 0.00 C ATOM 878 C GLU A 53 -16.446 5.681 -2.858 1.00 0.00 C ATOM 879 O GLU A 53 -17.594 5.405 -3.204 1.00 0.00 O ATOM 880 CB GLU A 53 -16.121 6.059 -0.381 1.00 0.00 C ATOM 881 CG GLU A 53 -15.246 7.315 -0.365 1.00 0.00 C ATOM 882 CD GLU A 53 -15.982 8.471 0.302 1.00 0.00 C ATOM 883 OE1 GLU A 53 -16.517 8.292 1.422 1.00 0.00 O ATOM 884 OE2 GLU A 53 -16.059 9.562 -0.309 1.00 0.00 O ATOM 0 H GLU A 53 -13.848 5.287 -1.016 1.00 0.00 H new ATOM 0 HA GLU A 53 -16.417 4.173 -1.364 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -17.167 6.366 -0.400 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.965 5.517 0.552 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -14.317 7.111 0.168 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -14.975 7.589 -1.384 1.00 0.00 H new ATOM 891 N ASP A 54 -15.642 6.408 -3.648 1.00 0.00 N ATOM 892 CA ASP A 54 -16.018 6.848 -5.007 1.00 0.00 C ATOM 893 C ASP A 54 -16.098 5.629 -5.951 1.00 0.00 C ATOM 894 O ASP A 54 -16.535 5.725 -7.094 1.00 0.00 O ATOM 895 CB ASP A 54 -15.005 7.897 -5.514 1.00 0.00 C ATOM 896 CG ASP A 54 -15.482 8.842 -6.638 1.00 0.00 C ATOM 897 OD1 ASP A 54 -16.220 8.435 -7.566 1.00 0.00 O ATOM 898 OD2 ASP A 54 -15.052 10.017 -6.651 1.00 0.00 O ATOM 0 H ASP A 54 -14.710 6.710 -3.365 1.00 0.00 H new ATOM 0 HA ASP A 54 -17.002 7.316 -4.984 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.696 8.508 -4.666 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.119 7.370 -5.867 1.00 0.00 H new ATOM 903 N GLY A 55 -15.700 4.449 -5.469 1.00 0.00 N ATOM 904 CA GLY A 55 -15.875 3.165 -6.114 1.00 0.00 C ATOM 905 C GLY A 55 -14.669 2.756 -6.943 1.00 0.00 C ATOM 906 O GLY A 55 -14.666 1.642 -7.475 1.00 0.00 O ATOM 0 H GLY A 55 -15.223 4.370 -4.571 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -16.064 2.405 -5.356 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -16.756 3.202 -6.755 1.00 0.00 H new ATOM 910 N LYS A 56 -13.628 3.585 -7.070 1.00 0.00 N ATOM 911 CA LYS A 56 -12.502 3.292 -7.881 1.00 0.00 C ATOM 912 C LYS A 56 -11.732 2.171 -7.222 1.00 0.00 C ATOM 913 O LYS A 56 -11.457 2.186 -6.026 1.00 0.00 O ATOM 914 CB LYS A 56 -11.718 4.592 -8.011 1.00 0.00 C ATOM 915 CG LYS A 56 -10.366 4.302 -8.585 1.00 0.00 C ATOM 916 CD LYS A 56 -9.701 5.556 -9.168 1.00 0.00 C ATOM 917 CE LYS A 56 -8.393 5.212 -9.881 1.00 0.00 C ATOM 918 NZ LYS A 56 -8.617 4.302 -11.019 1.00 0.00 N ATOM 0 H LYS A 56 -13.569 4.485 -6.594 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.752 2.946 -8.884 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.255 5.291 -8.652 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.617 5.068 -7.035 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.727 3.882 -7.809 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.459 3.546 -9.365 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.383 6.039 -9.868 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.505 6.271 -8.369 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.919 6.128 -10.235 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.704 4.749 -9.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.793 4.329 -11.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.752 3.333 -10.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.465 4.602 -11.541 1.00 0.00 H new ATOM 932 N LYS A 57 -11.344 1.217 -8.045 1.00 0.00 N ATOM 933 CA LYS A 57 -10.511 0.104 -7.671 1.00 0.00 C ATOM 934 C LYS A 57 -9.075 0.432 -8.038 1.00 0.00 C ATOM 935 O LYS A 57 -8.722 0.412 -9.216 1.00 0.00 O ATOM 936 CB LYS A 57 -11.048 -1.164 -8.328 1.00 0.00 C ATOM 937 CG LYS A 57 -11.288 -1.079 -9.843 1.00 0.00 C ATOM 938 CD LYS A 57 -12.766 -1.098 -10.241 1.00 0.00 C ATOM 939 CE LYS A 57 -13.353 -2.513 -10.295 1.00 0.00 C ATOM 940 NZ LYS A 57 -12.780 -3.295 -11.410 1.00 0.00 N ATOM 0 H LYS A 57 -11.613 1.200 -9.029 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.529 -0.078 -6.596 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.347 -1.976 -8.135 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.987 -1.432 -7.844 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.832 -0.164 -10.222 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.781 -1.913 -10.328 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.336 -0.501 -9.529 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.880 -0.626 -11.217 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.158 -3.025 -9.353 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.436 -2.455 -10.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.383 -4.120 -11.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.728 -2.699 -12.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.825 -3.617 -11.154 1.00 0.00 H new ATOM 954 N TYR A 58 -8.254 0.753 -7.050 1.00 0.00 N ATOM 955 CA TYR A 58 -6.809 0.756 -7.217 1.00 0.00 C ATOM 956 C TYR A 58 -6.368 -0.700 -7.111 1.00 0.00 C ATOM 957 O TYR A 58 -6.455 -1.300 -6.038 1.00 0.00 O ATOM 958 CB TYR A 58 -6.135 1.652 -6.173 1.00 0.00 C ATOM 959 CG TYR A 58 -6.407 3.132 -6.377 1.00 0.00 C ATOM 960 CD1 TYR A 58 -7.671 3.672 -6.071 1.00 0.00 C ATOM 961 CD2 TYR A 58 -5.402 3.973 -6.889 1.00 0.00 C ATOM 962 CE1 TYR A 58 -7.944 5.032 -6.312 1.00 0.00 C ATOM 963 CE2 TYR A 58 -5.631 5.349 -7.037 1.00 0.00 C ATOM 964 CZ TYR A 58 -6.905 5.883 -6.755 1.00 0.00 C ATOM 965 OH TYR A 58 -7.119 7.219 -6.878 1.00 0.00 O ATOM 0 H TYR A 58 -8.568 1.017 -6.116 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.515 1.170 -8.181 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.479 1.361 -5.180 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -5.059 1.482 -6.200 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.437 3.038 -5.648 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.446 3.556 -7.170 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -8.939 5.422 -6.160 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -4.833 5.998 -7.366 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.323 7.707 -6.579 1.00 0.00 H new ATOM 975 N VAL A 59 -5.978 -1.287 -8.238 1.00 0.00 N ATOM 976 CA VAL A 59 -5.171 -2.501 -8.275 1.00 0.00 C ATOM 977 C VAL A 59 -3.747 -2.039 -7.958 1.00 0.00 C ATOM 978 O VAL A 59 -3.367 -0.917 -8.309 1.00 0.00 O ATOM 979 CB VAL A 59 -5.288 -3.143 -9.674 1.00 0.00 C ATOM 980 CG1 VAL A 59 -4.305 -4.301 -9.883 1.00 0.00 C ATOM 981 CG2 VAL A 59 -6.705 -3.702 -9.883 1.00 0.00 C ATOM 0 H VAL A 59 -6.217 -0.928 -9.163 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.490 -3.261 -7.562 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.058 -2.352 -10.388 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.434 -4.712 -10.884 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.284 -3.937 -9.770 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.497 -5.079 -9.144 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.776 -4.152 -10.873 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.914 -4.457 -9.125 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.431 -2.893 -9.799 1.00 0.00 H new ATOM 991 N ILE A 60 -2.983 -2.897 -7.288 1.00 0.00 N ATOM 992 CA ILE A 60 -1.567 -2.701 -7.007 1.00 0.00 C ATOM 993 C ILE A 60 -0.893 -4.056 -6.968 1.00 0.00 C ATOM 994 O ILE A 60 -1.270 -4.925 -6.176 1.00 0.00 O ATOM 995 CB ILE A 60 -1.321 -1.980 -5.666 1.00 0.00 C ATOM 996 CG1 ILE A 60 -2.422 -2.298 -4.632 1.00 0.00 C ATOM 997 CG2 ILE A 60 -1.203 -0.476 -5.922 1.00 0.00 C ATOM 998 CD1 ILE A 60 -2.107 -1.818 -3.220 1.00 0.00 C ATOM 0 H ILE A 60 -3.345 -3.775 -6.915 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.155 -2.070 -7.795 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.388 -2.343 -5.236 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.356 -1.841 -4.960 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.585 -3.376 -4.610 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.029 0.041 -4.978 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.370 -0.286 -6.599 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.126 -0.110 -6.371 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.930 -2.080 -2.555 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.191 -2.294 -2.870 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.975 -0.736 -3.225 1.00 0.00 H new ATOM 1010 N GLU A 61 0.097 -4.222 -7.824 1.00 0.00 N ATOM 1011 CA GLU A 61 0.966 -5.378 -7.855 1.00 0.00 C ATOM 1012 C GLU A 61 2.312 -5.035 -7.193 1.00 0.00 C ATOM 1013 O GLU A 61 2.554 -3.920 -6.723 1.00 0.00 O ATOM 1014 CB GLU A 61 1.121 -5.907 -9.293 1.00 0.00 C ATOM 1015 CG GLU A 61 -0.199 -6.206 -10.029 1.00 0.00 C ATOM 1016 CD GLU A 61 -0.661 -5.109 -11.003 1.00 0.00 C ATOM 1017 OE1 GLU A 61 -0.558 -3.904 -10.686 1.00 0.00 O ATOM 1018 OE2 GLU A 61 -1.177 -5.458 -12.094 1.00 0.00 O ATOM 0 H GLU A 61 0.324 -3.532 -8.540 1.00 0.00 H new ATOM 0 HA GLU A 61 0.519 -6.188 -7.279 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.684 -5.176 -9.873 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.717 -6.819 -9.265 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.086 -7.138 -10.582 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.982 -6.367 -9.288 1.00 0.00 H new ATOM 1025 N LYS A 62 3.156 -6.060 -7.081 1.00 0.00 N ATOM 1026 CA LYS A 62 4.430 -6.186 -6.377 1.00 0.00 C ATOM 1027 C LYS A 62 5.576 -5.303 -6.881 1.00 0.00 C ATOM 1028 O LYS A 62 6.676 -5.793 -7.151 1.00 0.00 O ATOM 1029 CB LYS A 62 4.777 -7.679 -6.376 1.00 0.00 C ATOM 1030 CG LYS A 62 4.987 -8.273 -7.782 1.00 0.00 C ATOM 1031 CD LYS A 62 4.880 -9.801 -7.745 1.00 0.00 C ATOM 1032 CE LYS A 62 5.924 -10.495 -8.624 1.00 0.00 C ATOM 1033 NZ LYS A 62 7.279 -10.411 -8.039 1.00 0.00 N ATOM 0 H LYS A 62 2.929 -6.939 -7.546 1.00 0.00 H new ATOM 0 HA LYS A 62 4.302 -5.798 -5.367 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.683 -7.831 -5.789 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.978 -8.227 -5.876 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.243 -7.868 -8.468 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.965 -7.981 -8.163 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.994 -10.143 -6.716 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.883 -10.098 -8.071 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.650 -11.542 -8.756 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.927 -10.039 -9.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.989 -10.490 -8.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.391 -9.499 -7.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.411 -11.185 -7.357 1.00 0.00 H new ATOM 1047 N GLY A 63 5.329 -4.005 -6.943 1.00 0.00 N ATOM 1048 CA GLY A 63 6.297 -2.984 -7.316 1.00 0.00 C ATOM 1049 C GLY A 63 5.732 -1.564 -7.267 1.00 0.00 C ATOM 1050 O GLY A 63 6.501 -0.607 -7.201 1.00 0.00 O ATOM 0 H GLY A 63 4.411 -3.617 -6.726 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.157 -3.048 -6.649 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.659 -3.188 -8.324 1.00 0.00 H new ATOM 1054 N ASP A 64 4.410 -1.400 -7.228 1.00 0.00 N ATOM 1055 CA ASP A 64 3.725 -0.103 -7.238 1.00 0.00 C ATOM 1056 C ASP A 64 3.808 0.517 -5.844 1.00 0.00 C ATOM 1057 O ASP A 64 3.176 -0.005 -4.926 1.00 0.00 O ATOM 1058 CB ASP A 64 2.258 -0.323 -7.616 1.00 0.00 C ATOM 1059 CG ASP A 64 2.072 -0.592 -9.107 1.00 0.00 C ATOM 1060 OD1 ASP A 64 2.320 -1.734 -9.563 1.00 0.00 O ATOM 1061 OD2 ASP A 64 1.681 0.339 -9.844 1.00 0.00 O ATOM 0 H ASP A 64 3.764 -2.189 -7.187 1.00 0.00 H new ATOM 0 HA ASP A 64 4.194 0.565 -7.960 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.862 -1.164 -7.046 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.678 0.555 -7.334 1.00 0.00 H new ATOM 1066 N LEU A 65 4.668 1.513 -5.602 1.00 0.00 N ATOM 1067 CA LEU A 65 4.786 2.161 -4.296 1.00 0.00 C ATOM 1068 C LEU A 65 3.537 3.011 -4.067 1.00 0.00 C ATOM 1069 O LEU A 65 3.031 3.632 -5.001 1.00 0.00 O ATOM 1070 CB LEU A 65 6.063 3.020 -4.273 1.00 0.00 C ATOM 1071 CG LEU A 65 6.289 3.828 -2.977 1.00 0.00 C ATOM 1072 CD1 LEU A 65 6.877 2.945 -1.875 1.00 0.00 C ATOM 1073 CD2 LEU A 65 7.252 4.990 -3.214 1.00 0.00 C ATOM 0 H LEU A 65 5.300 1.891 -6.308 1.00 0.00 H new ATOM 0 HA LEU A 65 4.861 1.424 -3.497 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.923 2.369 -4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.030 3.713 -5.113 1.00 0.00 H new ATOM 0 HG LEU A 65 5.315 4.209 -2.670 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.026 3.539 -0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.191 2.126 -1.660 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.834 2.540 -2.205 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.393 5.541 -2.284 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.212 4.603 -3.555 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.839 5.656 -3.972 1.00 0.00 H new ATOM 1085 N VAL A 66 3.070 3.070 -2.821 1.00 0.00 N ATOM 1086 CA VAL A 66 1.838 3.730 -2.421 1.00 0.00 C ATOM 1087 C VAL A 66 2.163 4.759 -1.334 1.00 0.00 C ATOM 1088 O VAL A 66 3.166 4.642 -0.624 1.00 0.00 O ATOM 1089 CB VAL A 66 0.838 2.648 -1.959 1.00 0.00 C ATOM 1090 CG1 VAL A 66 -0.534 3.239 -1.600 1.00 0.00 C ATOM 1091 CG2 VAL A 66 0.642 1.566 -3.040 1.00 0.00 C ATOM 0 H VAL A 66 3.561 2.642 -2.036 1.00 0.00 H new ATOM 0 HA VAL A 66 1.375 4.273 -3.245 1.00 0.00 H new ATOM 0 HB VAL A 66 1.272 2.201 -1.065 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.202 2.439 -1.281 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.419 3.960 -0.791 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.955 3.737 -2.473 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.068 0.820 -2.683 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.258 2.026 -3.950 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.597 1.086 -3.252 1.00 0.00 H new ATOM 1101 N THR A 67 1.320 5.788 -1.209 1.00 0.00 N ATOM 1102 CA THR A 67 1.346 6.751 -0.117 1.00 0.00 C ATOM 1103 C THR A 67 -0.086 7.175 0.177 1.00 0.00 C ATOM 1104 O THR A 67 -0.672 7.936 -0.596 1.00 0.00 O ATOM 1105 CB THR A 67 2.199 7.971 -0.474 1.00 0.00 C ATOM 1106 OG1 THR A 67 3.462 7.547 -0.956 1.00 0.00 O ATOM 1107 CG2 THR A 67 2.377 8.886 0.751 1.00 0.00 C ATOM 0 H THR A 67 0.581 5.975 -1.887 1.00 0.00 H new ATOM 0 HA THR A 67 1.793 6.289 0.763 1.00 0.00 H new ATOM 0 HB THR A 67 1.690 8.539 -1.253 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.066 7.394 -0.200 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.986 9.747 0.476 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.401 9.227 1.095 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.870 8.333 1.550 1.00 0.00 H new ATOM 1115 N PHE A 68 -0.694 6.665 1.243 1.00 0.00 N ATOM 1116 CA PHE A 68 -1.992 7.157 1.699 1.00 0.00 C ATOM 1117 C PHE A 68 -1.815 8.519 2.379 1.00 0.00 C ATOM 1118 O PHE A 68 -0.707 8.823 2.832 1.00 0.00 O ATOM 1119 CB PHE A 68 -2.622 6.120 2.628 1.00 0.00 C ATOM 1120 CG PHE A 68 -2.931 4.836 1.889 1.00 0.00 C ATOM 1121 CD1 PHE A 68 -3.985 4.800 0.952 1.00 0.00 C ATOM 1122 CD2 PHE A 68 -2.121 3.702 2.084 1.00 0.00 C ATOM 1123 CE1 PHE A 68 -4.246 3.621 0.237 1.00 0.00 C ATOM 1124 CE2 PHE A 68 -2.356 2.536 1.335 1.00 0.00 C ATOM 1125 CZ PHE A 68 -3.430 2.493 0.429 1.00 0.00 C ATOM 0 H PHE A 68 -0.309 5.909 1.809 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.667 7.301 0.855 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.945 5.912 3.456 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.538 6.524 3.059 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.590 5.679 0.785 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.320 3.727 2.808 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.071 3.581 -0.459 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.714 1.676 1.455 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.629 1.587 -0.123 1.00 0.00 H new ATOM 1135 N PRO A 69 -2.860 9.363 2.415 1.00 0.00 N ATOM 1136 CA PRO A 69 -2.784 10.682 3.021 1.00 0.00 C ATOM 1137 C PRO A 69 -3.084 10.607 4.517 1.00 0.00 C ATOM 1138 O PRO A 69 -3.541 9.595 5.040 1.00 0.00 O ATOM 1139 CB PRO A 69 -3.895 11.477 2.338 1.00 0.00 C ATOM 1140 CG PRO A 69 -4.984 10.413 2.306 1.00 0.00 C ATOM 1141 CD PRO A 69 -4.202 9.165 1.873 1.00 0.00 C ATOM 0 HA PRO A 69 -1.795 11.124 2.904 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -4.189 12.360 2.906 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -3.614 11.818 1.342 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -5.454 10.282 3.281 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -5.777 10.662 1.601 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.658 8.256 2.266 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -4.181 9.068 0.788 1.00 0.00 H new ATOM 1149 N LYS A 70 -2.981 11.766 5.154 1.00 0.00 N ATOM 1150 CA LYS A 70 -3.514 12.009 6.478 1.00 0.00 C ATOM 1151 C LYS A 70 -5.005 12.308 6.325 1.00 0.00 C ATOM 1152 O LYS A 70 -5.369 13.469 6.098 1.00 0.00 O ATOM 1153 CB LYS A 70 -2.691 13.140 7.115 1.00 0.00 C ATOM 1154 CG LYS A 70 -3.091 13.431 8.562 1.00 0.00 C ATOM 1155 CD LYS A 70 -2.018 14.258 9.258 1.00 0.00 C ATOM 1156 CE LYS A 70 -2.469 14.619 10.671 1.00 0.00 C ATOM 1157 NZ LYS A 70 -1.378 15.255 11.431 1.00 0.00 N ATOM 0 H LYS A 70 -2.513 12.578 4.751 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.433 11.154 7.150 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.634 12.875 7.083 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.810 14.047 6.522 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.040 13.966 8.582 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.241 12.494 9.099 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.084 13.697 9.298 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.820 15.166 8.688 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.323 15.294 10.622 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.802 13.720 11.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.712 15.490 12.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.573 14.600 11.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.078 16.125 10.946 1.00 0.00 H new ATOM 1171 N GLY A 71 -5.845 11.275 6.390 1.00 0.00 N ATOM 1172 CA GLY A 71 -7.297 11.360 6.297 1.00 0.00 C ATOM 1173 C GLY A 71 -7.790 10.755 4.985 1.00 0.00 C ATOM 1174 O GLY A 71 -7.867 11.465 3.973 1.00 0.00 O ATOM 0 H GLY A 71 -5.516 10.318 6.514 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.752 10.836 7.138 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.610 12.402 6.363 1.00 0.00 H new ATOM 1178 N LEU A 72 -8.089 9.451 4.991 1.00 0.00 N ATOM 1179 CA LEU A 72 -8.898 8.734 4.004 1.00 0.00 C ATOM 1180 C LEU A 72 -9.482 7.474 4.659 1.00 0.00 C ATOM 1181 O LEU A 72 -8.813 6.886 5.505 1.00 0.00 O ATOM 1182 CB LEU A 72 -7.989 8.334 2.828 1.00 0.00 C ATOM 1183 CG LEU A 72 -8.683 7.532 1.712 1.00 0.00 C ATOM 1184 CD1 LEU A 72 -9.807 8.336 1.047 1.00 0.00 C ATOM 1185 CD2 LEU A 72 -7.641 7.139 0.663 1.00 0.00 C ATOM 0 H LEU A 72 -7.752 8.833 5.729 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.712 9.364 3.645 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.563 9.239 2.394 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.158 7.745 3.215 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.132 6.644 2.156 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.271 7.735 0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -10.556 8.601 1.794 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.394 9.245 0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.122 6.570 -0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.189 8.038 0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.868 6.528 1.129 1.00 0.00 H new ATOM 1197 N ARG A 73 -10.637 6.972 4.198 1.00 0.00 N ATOM 1198 CA ARG A 73 -11.121 5.625 4.520 1.00 0.00 C ATOM 1199 C ARG A 73 -11.689 4.965 3.262 1.00 0.00 C ATOM 1200 O ARG A 73 -12.534 5.567 2.599 1.00 0.00 O ATOM 1201 CB ARG A 73 -12.109 5.639 5.691 1.00 0.00 C ATOM 1202 CG ARG A 73 -13.439 6.392 5.552 1.00 0.00 C ATOM 1203 CD ARG A 73 -13.330 7.912 5.728 1.00 0.00 C ATOM 1204 NE ARG A 73 -14.673 8.501 5.828 1.00 0.00 N ATOM 1205 CZ ARG A 73 -15.462 8.785 4.792 1.00 0.00 C ATOM 1206 NH1 ARG A 73 -14.965 8.885 3.568 1.00 0.00 N ATOM 1207 NH2 ARG A 73 -16.768 8.939 4.964 1.00 0.00 N ATOM 0 H ARG A 73 -11.265 7.495 3.587 1.00 0.00 H new ATOM 0 HA ARG A 73 -10.281 5.018 4.859 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.345 4.602 5.931 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -11.587 6.055 6.553 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -13.860 6.182 4.569 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.141 6.003 6.289 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -12.754 8.143 6.624 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -12.794 8.347 4.884 1.00 0.00 H new ATOM 0 HE ARG A 73 -15.028 8.708 6.761 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -13.967 8.744 3.410 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -15.580 9.103 2.784 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -17.175 8.840 5.894 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -17.365 9.156 4.166 1.00 0.00 H new ATOM 1221 N CYS A 74 -11.212 3.768 2.913 1.00 0.00 N ATOM 1222 CA CYS A 74 -11.605 2.992 1.735 1.00 0.00 C ATOM 1223 C CYS A 74 -11.571 1.493 2.080 1.00 0.00 C ATOM 1224 O CYS A 74 -11.066 1.102 3.135 1.00 0.00 O ATOM 1225 CB CYS A 74 -10.670 3.291 0.555 1.00 0.00 C ATOM 1226 SG CYS A 74 -10.790 5.016 0.005 1.00 0.00 S ATOM 0 H CYS A 74 -10.506 3.290 3.473 1.00 0.00 H new ATOM 0 HA CYS A 74 -12.617 3.273 1.443 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -9.642 3.075 0.845 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -10.913 2.629 -0.276 1.00 0.00 H new ATOM 0 HG CYS A 74 -11.584 5.670 0.799 1.00 0.00 H new ATOM 1232 N ARG A 75 -12.093 0.633 1.197 1.00 0.00 N ATOM 1233 CA ARG A 75 -12.056 -0.815 1.411 1.00 0.00 C ATOM 1234 C ARG A 75 -10.673 -1.356 1.095 1.00 0.00 C ATOM 1235 O ARG A 75 -9.922 -0.741 0.346 1.00 0.00 O ATOM 1236 CB ARG A 75 -13.112 -1.556 0.581 1.00 0.00 C ATOM 1237 CG ARG A 75 -14.458 -1.676 1.299 1.00 0.00 C ATOM 1238 CD ARG A 75 -15.128 -0.311 1.504 1.00 0.00 C ATOM 1239 NE ARG A 75 -15.307 0.446 0.241 1.00 0.00 N ATOM 1240 CZ ARG A 75 -16.307 0.295 -0.638 1.00 0.00 C ATOM 1241 NH1 ARG A 75 -17.300 -0.547 -0.381 1.00 0.00 N ATOM 1242 NH2 ARG A 75 -16.295 0.964 -1.785 1.00 0.00 N ATOM 0 H ARG A 75 -12.546 0.917 0.328 1.00 0.00 H new ATOM 0 HA ARG A 75 -12.287 -0.990 2.462 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.256 -1.033 -0.365 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -12.744 -2.553 0.341 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -15.120 -2.321 0.721 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -14.310 -2.156 2.267 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -16.101 -0.457 1.974 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -14.527 0.282 2.194 1.00 0.00 H new ATOM 0 HE ARG A 75 -14.601 1.149 0.021 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -17.303 -1.081 0.488 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -18.060 -0.660 -1.052 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -15.523 1.595 -1.999 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -17.058 0.847 -2.452 1.00 0.00 H new ATOM 1256 N TRP A 76 -10.364 -2.535 1.617 1.00 0.00 N ATOM 1257 CA TRP A 76 -9.124 -3.257 1.408 1.00 0.00 C ATOM 1258 C TRP A 76 -9.479 -4.712 1.111 1.00 0.00 C ATOM 1259 O TRP A 76 -9.850 -5.456 2.019 1.00 0.00 O ATOM 1260 CB TRP A 76 -8.195 -3.109 2.625 1.00 0.00 C ATOM 1261 CG TRP A 76 -7.071 -2.148 2.403 1.00 0.00 C ATOM 1262 CD1 TRP A 76 -7.193 -0.816 2.202 1.00 0.00 C ATOM 1263 CD2 TRP A 76 -5.655 -2.454 2.232 1.00 0.00 C ATOM 1264 NE1 TRP A 76 -5.959 -0.283 1.891 1.00 0.00 N ATOM 1265 CE2 TRP A 76 -4.976 -1.250 1.888 1.00 0.00 C ATOM 1266 CE3 TRP A 76 -4.885 -3.635 2.280 1.00 0.00 C ATOM 1267 CZ2 TRP A 76 -3.608 -1.227 1.590 1.00 0.00 C ATOM 1268 CZ3 TRP A 76 -3.511 -3.622 1.976 1.00 0.00 C ATOM 1269 CH2 TRP A 76 -2.874 -2.423 1.621 1.00 0.00 C ATOM 0 H TRP A 76 -11.008 -3.037 2.229 1.00 0.00 H new ATOM 0 HA TRP A 76 -8.572 -2.847 0.562 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -8.782 -2.778 3.482 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -7.783 -4.086 2.879 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -8.114 -0.256 2.274 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -5.794 0.703 1.689 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -5.358 -4.566 2.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -3.121 -0.296 1.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -2.944 -4.540 2.016 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -1.823 -2.421 1.373 1.00 0.00 H new ATOM 1280 N LYS A 77 -9.420 -5.118 -0.158 1.00 0.00 N ATOM 1281 CA LYS A 77 -9.625 -6.497 -0.581 1.00 0.00 C ATOM 1282 C LYS A 77 -8.259 -7.114 -0.828 1.00 0.00 C ATOM 1283 O LYS A 77 -7.564 -6.701 -1.755 1.00 0.00 O ATOM 1284 CB LYS A 77 -10.517 -6.524 -1.828 1.00 0.00 C ATOM 1285 CG LYS A 77 -10.614 -7.938 -2.423 1.00 0.00 C ATOM 1286 CD LYS A 77 -11.981 -8.223 -3.044 1.00 0.00 C ATOM 1287 CE LYS A 77 -12.980 -8.418 -1.905 1.00 0.00 C ATOM 1288 NZ LYS A 77 -14.323 -8.779 -2.376 1.00 0.00 N ATOM 0 H LYS A 77 -9.225 -4.483 -0.932 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.137 -7.081 0.184 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.514 -6.168 -1.571 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.118 -5.840 -2.577 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.842 -8.062 -3.182 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -10.414 -8.671 -1.642 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.289 -7.397 -3.685 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -11.938 -9.114 -3.671 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.613 -9.197 -1.237 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -13.040 -7.500 -1.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -15.029 -8.478 -1.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.512 -8.305 -3.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -14.380 -9.809 -2.505 1.00 0.00 H new ATOM 1302 N VAL A 78 -7.858 -8.072 -0.005 1.00 0.00 N ATOM 1303 CA VAL A 78 -6.647 -8.845 -0.189 1.00 0.00 C ATOM 1304 C VAL A 78 -7.019 -9.981 -1.137 1.00 0.00 C ATOM 1305 O VAL A 78 -7.763 -10.892 -0.768 1.00 0.00 O ATOM 1306 CB VAL A 78 -6.116 -9.359 1.165 1.00 0.00 C ATOM 1307 CG1 VAL A 78 -4.611 -9.623 1.043 1.00 0.00 C ATOM 1308 CG2 VAL A 78 -6.405 -8.402 2.341 1.00 0.00 C ATOM 0 H VAL A 78 -8.382 -8.337 0.829 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.839 -8.247 -0.610 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.648 -10.282 1.396 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.227 -9.987 1.996 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.434 -10.372 0.271 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.100 -8.698 0.775 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.004 -8.826 3.262 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.934 -7.438 2.150 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.482 -8.266 2.443 1.00 0.00 H new ATOM 1318 N LEU A 79 -6.568 -9.897 -2.386 1.00 0.00 N ATOM 1319 CA LEU A 79 -6.787 -10.985 -3.329 1.00 0.00 C ATOM 1320 C LEU A 79 -5.692 -12.032 -3.170 1.00 0.00 C ATOM 1321 O LEU A 79 -5.947 -13.199 -3.436 1.00 0.00 O ATOM 1322 CB LEU A 79 -6.861 -10.469 -4.771 1.00 0.00 C ATOM 1323 CG LEU A 79 -8.077 -9.559 -5.025 1.00 0.00 C ATOM 1324 CD1 LEU A 79 -8.026 -8.996 -6.446 1.00 0.00 C ATOM 1325 CD2 LEU A 79 -9.416 -10.283 -4.826 1.00 0.00 C ATOM 0 H LEU A 79 -6.057 -9.099 -2.763 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.748 -11.449 -3.108 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.949 -9.919 -5.001 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.902 -11.318 -5.453 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.020 -8.755 -4.291 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.891 -8.354 -6.614 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.113 -8.415 -6.575 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.038 -9.817 -7.163 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.236 -9.591 -5.019 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.481 -11.124 -5.516 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.483 -10.648 -3.801 1.00 0.00 H new ATOM 1337 N GLU A 80 -4.504 -11.658 -2.690 1.00 0.00 N ATOM 1338 CA GLU A 80 -3.419 -12.595 -2.392 1.00 0.00 C ATOM 1339 C GLU A 80 -2.632 -12.039 -1.208 1.00 0.00 C ATOM 1340 O GLU A 80 -2.561 -10.813 -1.090 1.00 0.00 O ATOM 1341 CB GLU A 80 -2.462 -12.759 -3.590 1.00 0.00 C ATOM 1342 CG GLU A 80 -3.134 -13.234 -4.880 1.00 0.00 C ATOM 1343 CD GLU A 80 -2.144 -13.571 -5.999 1.00 0.00 C ATOM 1344 OE1 GLU A 80 -1.043 -12.978 -6.063 1.00 0.00 O ATOM 1345 OE2 GLU A 80 -2.454 -14.470 -6.820 1.00 0.00 O ATOM 0 H GLU A 80 -4.266 -10.685 -2.495 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.849 -13.572 -2.169 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.973 -11.804 -3.781 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.681 -13.469 -3.320 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.737 -14.115 -4.662 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.816 -12.460 -5.231 1.00 0.00 H new ATOM 1352 N PRO A 81 -2.031 -12.888 -0.354 1.00 0.00 N ATOM 1353 CA PRO A 81 -1.442 -12.475 0.911 1.00 0.00 C ATOM 1354 C PRO A 81 -0.261 -11.539 0.675 1.00 0.00 C ATOM 1355 O PRO A 81 0.864 -11.963 0.397 1.00 0.00 O ATOM 1356 CB PRO A 81 -1.063 -13.757 1.651 1.00 0.00 C ATOM 1357 CG PRO A 81 -0.889 -14.778 0.535 1.00 0.00 C ATOM 1358 CD PRO A 81 -1.920 -14.332 -0.499 1.00 0.00 C ATOM 0 HA PRO A 81 -2.139 -11.900 1.520 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -0.145 -13.631 2.226 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -1.840 -14.059 2.353 1.00 0.00 H new ATOM 0 HG2 PRO A 81 0.122 -14.764 0.129 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.079 -15.793 0.883 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -1.604 -14.600 -1.507 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.881 -14.817 -0.327 1.00 0.00 H new ATOM 1366 N VAL A 82 -0.552 -10.244 0.734 1.00 0.00 N ATOM 1367 CA VAL A 82 0.400 -9.201 0.428 1.00 0.00 C ATOM 1368 C VAL A 82 1.430 -9.140 1.539 1.00 0.00 C ATOM 1369 O VAL A 82 1.116 -9.385 2.703 1.00 0.00 O ATOM 1370 CB VAL A 82 -0.353 -7.881 0.173 1.00 0.00 C ATOM 1371 CG1 VAL A 82 -0.826 -7.202 1.463 1.00 0.00 C ATOM 1372 CG2 VAL A 82 0.475 -6.885 -0.640 1.00 0.00 C ATOM 0 H VAL A 82 -1.471 -9.892 1.000 1.00 0.00 H new ATOM 0 HA VAL A 82 0.951 -9.407 -0.489 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.230 -8.170 -0.405 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.349 -6.278 1.217 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.501 -7.869 1.999 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.035 -6.975 2.092 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.101 -5.972 -0.792 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.393 -6.650 -0.101 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.724 -7.322 -1.607 1.00 0.00 H new ATOM 1382 N ARG A 83 2.645 -8.741 1.188 1.00 0.00 N ATOM 1383 CA ARG A 83 3.656 -8.303 2.131 1.00 0.00 C ATOM 1384 C ARG A 83 4.087 -6.949 1.612 1.00 0.00 C ATOM 1385 O ARG A 83 4.618 -6.844 0.501 1.00 0.00 O ATOM 1386 CB ARG A 83 4.781 -9.350 2.236 1.00 0.00 C ATOM 1387 CG ARG A 83 4.976 -9.883 3.667 1.00 0.00 C ATOM 1388 CD ARG A 83 5.248 -11.384 3.611 1.00 0.00 C ATOM 1389 NE ARG A 83 5.669 -11.946 4.903 1.00 0.00 N ATOM 1390 CZ ARG A 83 5.706 -13.263 5.137 1.00 0.00 C ATOM 1391 NH1 ARG A 83 5.498 -14.125 4.146 1.00 0.00 N ATOM 1392 NH2 ARG A 83 5.940 -13.692 6.370 1.00 0.00 N ATOM 0 H ARG A 83 2.959 -8.714 0.218 1.00 0.00 H new ATOM 0 HA ARG A 83 3.303 -8.207 3.158 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.557 -10.184 1.571 1.00 0.00 H new ATOM 0 HB3 ARG A 83 5.715 -8.908 1.889 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.807 -9.368 4.149 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.087 -9.684 4.266 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.347 -11.897 3.275 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.022 -11.579 2.868 1.00 0.00 H new ATOM 0 HE ARG A 83 5.943 -11.307 5.650 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.310 -13.783 3.204 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.527 -15.128 4.328 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.089 -13.021 7.124 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.971 -14.693 6.564 1.00 0.00 H new ATOM 1406 N LYS A 84 3.767 -5.897 2.364 1.00 0.00 N ATOM 1407 CA LYS A 84 4.171 -4.545 2.034 1.00 0.00 C ATOM 1408 C LYS A 84 4.860 -3.883 3.225 1.00 0.00 C ATOM 1409 O LYS A 84 4.291 -3.771 4.310 1.00 0.00 O ATOM 1410 CB LYS A 84 3.041 -3.740 1.370 1.00 0.00 C ATOM 1411 CG LYS A 84 1.588 -3.801 1.854 1.00 0.00 C ATOM 1412 CD LYS A 84 1.320 -3.653 3.347 1.00 0.00 C ATOM 1413 CE LYS A 84 -0.113 -3.138 3.540 1.00 0.00 C ATOM 1414 NZ LYS A 84 -0.430 -2.735 4.926 1.00 0.00 N ATOM 0 H LYS A 84 3.218 -5.966 3.221 1.00 0.00 H new ATOM 0 HA LYS A 84 4.932 -4.577 1.254 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.339 -2.692 1.412 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.031 -4.027 0.318 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.032 -3.019 1.337 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.170 -4.755 1.534 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.449 -4.611 3.851 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.034 -2.960 3.792 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.273 -2.285 2.880 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.811 -3.916 3.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.339 -2.230 4.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.493 -3.581 5.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.319 -2.110 5.286 1.00 0.00 H new ATOM 1428 N HIS A 85 6.109 -3.466 3.009 1.00 0.00 N ATOM 1429 CA HIS A 85 6.924 -2.749 3.981 1.00 0.00 C ATOM 1430 C HIS A 85 6.310 -1.348 4.152 1.00 0.00 C ATOM 1431 O HIS A 85 6.349 -0.587 3.181 1.00 0.00 O ATOM 1432 CB HIS A 85 8.370 -2.649 3.433 1.00 0.00 C ATOM 1433 CG HIS A 85 9.287 -3.750 3.904 1.00 0.00 C ATOM 1434 ND1 HIS A 85 10.070 -4.599 3.142 1.00 0.00 N ATOM 1435 CD2 HIS A 85 9.495 -4.063 5.216 1.00 0.00 C ATOM 1436 CE1 HIS A 85 10.671 -5.452 3.991 1.00 0.00 C ATOM 1437 NE2 HIS A 85 10.341 -5.167 5.250 1.00 0.00 N ATOM 0 H HIS A 85 6.592 -3.625 2.125 1.00 0.00 H new ATOM 0 HA HIS A 85 6.951 -3.260 4.944 1.00 0.00 H new ATOM 0 HB2 HIS A 85 8.335 -2.661 2.344 1.00 0.00 H new ATOM 0 HB3 HIS A 85 8.793 -1.688 3.728 1.00 0.00 H new ATOM 0 HD1 HIS A 85 10.172 -4.581 2.127 1.00 0.00 H new ATOM 0 HD2 HIS A 85 9.080 -3.549 6.070 1.00 0.00 H new ATOM 0 HE1 HIS A 85 11.329 -6.255 3.694 1.00 0.00 H new ATOM 1445 N TYR A 86 5.708 -0.993 5.295 1.00 0.00 N ATOM 1446 CA TYR A 86 5.035 0.306 5.496 1.00 0.00 C ATOM 1447 C TYR A 86 5.925 1.265 6.296 1.00 0.00 C ATOM 1448 O TYR A 86 6.875 0.818 6.931 1.00 0.00 O ATOM 1449 CB TYR A 86 3.678 0.123 6.202 1.00 0.00 C ATOM 1450 CG TYR A 86 3.724 -0.290 7.659 1.00 0.00 C ATOM 1451 CD1 TYR A 86 3.801 -1.654 8.002 1.00 0.00 C ATOM 1452 CD2 TYR A 86 3.686 0.689 8.669 1.00 0.00 C ATOM 1453 CE1 TYR A 86 3.859 -2.045 9.350 1.00 0.00 C ATOM 1454 CE2 TYR A 86 3.774 0.308 10.018 1.00 0.00 C ATOM 1455 CZ TYR A 86 3.873 -1.057 10.363 1.00 0.00 C ATOM 1456 OH TYR A 86 3.995 -1.400 11.672 1.00 0.00 O ATOM 0 H TYR A 86 5.672 -1.600 6.114 1.00 0.00 H new ATOM 0 HA TYR A 86 4.854 0.741 4.513 1.00 0.00 H new ATOM 0 HB2 TYR A 86 3.127 1.061 6.131 1.00 0.00 H new ATOM 0 HB3 TYR A 86 3.106 -0.625 5.653 1.00 0.00 H new ATOM 0 HD1 TYR A 86 3.816 -2.403 7.224 1.00 0.00 H new ATOM 0 HD2 TYR A 86 3.589 1.732 8.407 1.00 0.00 H new ATOM 0 HE1 TYR A 86 3.893 -3.092 9.611 1.00 0.00 H new ATOM 0 HE2 TYR A 86 3.766 1.061 10.792 1.00 0.00 H new ATOM 0 HH TYR A 86 3.986 -0.591 12.224 1.00 0.00 H new ATOM 1466 N ASN A 87 5.630 2.569 6.291 1.00 0.00 N ATOM 1467 CA ASN A 87 6.287 3.556 7.146 1.00 0.00 C ATOM 1468 C ASN A 87 5.352 4.736 7.387 1.00 0.00 C ATOM 1469 O ASN A 87 4.984 5.445 6.443 1.00 0.00 O ATOM 1470 CB ASN A 87 7.595 4.043 6.507 1.00 0.00 C ATOM 1471 CG ASN A 87 8.501 4.811 7.462 1.00 0.00 C ATOM 1472 OD1 ASN A 87 8.290 4.860 8.673 1.00 0.00 O ATOM 1473 ND2 ASN A 87 9.554 5.408 6.938 1.00 0.00 N ATOM 0 H ASN A 87 4.917 2.972 5.683 1.00 0.00 H new ATOM 0 HA ASN A 87 6.525 3.085 8.100 1.00 0.00 H new ATOM 0 HB2 ASN A 87 8.140 3.183 6.118 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.357 4.681 5.656 1.00 0.00 H new ATOM 0 HD21 ASN A 87 10.203 5.917 7.538 1.00 0.00 H new ATOM 0 HD22 ASN A 87 9.719 5.361 5.933 1.00 0.00 H new ATOM 1480 N LEU A 88 4.953 4.926 8.645 1.00 0.00 N ATOM 1481 CA LEU A 88 4.164 6.069 9.111 1.00 0.00 C ATOM 1482 C LEU A 88 5.005 7.345 8.988 1.00 0.00 C ATOM 1483 O LEU A 88 6.216 7.278 9.212 1.00 0.00 O ATOM 1484 CB LEU A 88 3.794 5.854 10.590 1.00 0.00 C ATOM 1485 CG LEU A 88 3.017 4.555 10.895 1.00 0.00 C ATOM 1486 CD1 LEU A 88 2.941 4.334 12.411 1.00 0.00 C ATOM 1487 CD2 LEU A 88 1.608 4.577 10.315 1.00 0.00 C ATOM 0 H LEU A 88 5.177 4.268 9.392 1.00 0.00 H new ATOM 0 HA LEU A 88 3.259 6.163 8.510 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.710 5.857 11.180 1.00 0.00 H new ATOM 0 HB3 LEU A 88 3.197 6.702 10.925 1.00 0.00 H new ATOM 0 HG LEU A 88 3.559 3.736 10.423 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.391 3.416 12.618 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.949 4.253 12.818 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.429 5.176 12.876 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.101 3.643 10.555 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.052 5.412 10.742 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.662 4.692 9.232 1.00 0.00 H new ATOM 1499 N PHE A 89 4.403 8.496 8.676 1.00 0.00 N ATOM 1500 CA PHE A 89 5.032 9.819 8.677 1.00 0.00 C ATOM 1501 C PHE A 89 3.933 10.859 8.494 1.00 0.00 C ATOM 1502 O PHE A 89 4.226 12.010 8.102 1.00 0.00 O ATOM 1503 CB PHE A 89 6.129 9.964 7.598 1.00 0.00 C ATOM 1504 CG PHE A 89 5.676 10.013 6.145 1.00 0.00 C ATOM 1505 CD1 PHE A 89 4.911 8.969 5.589 1.00 0.00 C ATOM 1506 CD2 PHE A 89 6.068 11.090 5.323 1.00 0.00 C ATOM 1507 CE1 PHE A 89 4.514 9.026 4.246 1.00 0.00 C ATOM 1508 CE2 PHE A 89 5.672 11.145 3.975 1.00 0.00 C ATOM 1509 CZ PHE A 89 4.887 10.113 3.438 1.00 0.00 C ATOM 0 H PHE A 89 3.421 8.532 8.404 1.00 0.00 H new ATOM 0 HA PHE A 89 5.544 9.966 9.628 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.690 10.875 7.807 1.00 0.00 H new ATOM 0 HB3 PHE A 89 6.822 9.130 7.707 1.00 0.00 H new ATOM 0 HD1 PHE A 89 4.630 8.123 6.199 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.679 11.881 5.733 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.917 8.228 3.829 1.00 0.00 H new ATOM 0 HE2 PHE A 89 5.971 11.978 3.356 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.570 10.154 2.406 1.00 0.00 H new TER 1519 PHE A 89