USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 378 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 Single : A 189 ASN : amide:sc= 0.0369 X(o=0.037,f=0) USER MOD Single : A 195 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 202 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 203 SER OG : rot 180:sc= -0.0645 USER MOD Single : A 206 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 SER OG : rot 180:sc= 0 USER MOD Single : B 8 HIS : no HD1:sc= -1.8 K(o=-1.8,f=-0.56) USER MOD Single : B 16 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : B 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 24 HIS : no HD1:sc= -1.1 X(o=-1.1,f=-0.85) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ -110:sc= -0.053 (180deg=-0.704) USER MOD Single : B 35 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 188 13.392 -14.695 0.126 1.00 0.00 N ATOM 2 CA ARG A 188 12.477 -15.720 -0.442 1.00 0.00 C ATOM 3 C ARG A 188 11.091 -15.632 0.188 1.00 0.00 C ATOM 4 O ARG A 188 10.934 -15.809 1.396 1.00 0.00 O ATOM 5 CB ARG A 188 13.085 -17.104 -0.201 1.00 0.00 C ATOM 6 CG ARG A 188 13.178 -17.485 1.269 1.00 0.00 C ATOM 7 CD ARG A 188 14.575 -17.960 1.636 1.00 0.00 C ATOM 8 NE ARG A 188 14.549 -18.993 2.669 1.00 0.00 N ATOM 9 CZ ARG A 188 15.636 -19.462 3.276 1.00 0.00 C ATOM 10 NH1 ARG A 188 16.836 -18.995 2.957 1.00 0.00 N ATOM 11 NH2 ARG A 188 15.523 -20.402 4.205 1.00 0.00 N ATOM 0 HA ARG A 188 12.361 -15.544 -1.511 1.00 0.00 H new ATOM 0 HB2 ARG A 188 12.486 -17.850 -0.723 1.00 0.00 H new ATOM 0 HB3 ARG A 188 14.083 -17.134 -0.638 1.00 0.00 H new ATOM 0 HG2 ARG A 188 12.911 -16.627 1.886 1.00 0.00 H new ATOM 0 HG3 ARG A 188 12.456 -18.272 1.488 1.00 0.00 H new ATOM 0 HD2 ARG A 188 15.071 -18.349 0.747 1.00 0.00 H new ATOM 0 HD3 ARG A 188 15.166 -17.113 1.985 1.00 0.00 H new ATOM 0 HE ARG A 188 13.644 -19.377 2.941 1.00 0.00 H new ATOM 0 HH11 ARG A 188 16.929 -18.273 2.243 1.00 0.00 H new ATOM 0 HH12 ARG A 188 17.666 -19.358 3.426 1.00 0.00 H new ATOM 0 HH21 ARG A 188 14.603 -20.765 4.454 1.00 0.00 H new ATOM 0 HH22 ARG A 188 16.356 -20.762 4.671 1.00 0.00 H new ATOM 27 N ASN A 189 10.087 -15.358 -0.639 1.00 0.00 N ATOM 28 CA ASN A 189 8.713 -15.246 -0.162 1.00 0.00 C ATOM 29 C ASN A 189 8.573 -14.095 0.830 1.00 0.00 C ATOM 30 O ASN A 189 8.469 -14.311 2.037 1.00 0.00 O ATOM 31 CB ASN A 189 8.268 -16.556 0.492 1.00 0.00 C ATOM 32 CG ASN A 189 6.762 -16.728 0.476 1.00 0.00 C ATOM 33 OD1 ASN A 189 6.209 -17.376 -0.412 1.00 0.00 O ATOM 34 ND2 ASN A 189 6.090 -16.147 1.463 1.00 0.00 N ATOM 0 H ASN A 189 10.199 -15.210 -1.642 1.00 0.00 H new ATOM 0 HA ASN A 189 8.073 -15.042 -1.020 1.00 0.00 H new ATOM 0 HB2 ASN A 189 8.732 -17.394 -0.028 1.00 0.00 H new ATOM 0 HB3 ASN A 189 8.623 -16.584 1.522 1.00 0.00 H new ATOM 0 HD21 ASN A 189 5.074 -16.229 1.506 1.00 0.00 H new ATOM 0 HD22 ASN A 189 6.590 -15.619 2.179 1.00 0.00 H new ATOM 41 N ARG A 190 8.571 -12.871 0.311 1.00 0.00 N ATOM 42 CA ARG A 190 8.444 -11.685 1.150 1.00 0.00 C ATOM 43 C ARG A 190 7.061 -11.614 1.787 1.00 0.00 C ATOM 44 O ARG A 190 6.145 -12.337 1.394 1.00 0.00 O ATOM 45 CB ARG A 190 8.705 -10.420 0.327 1.00 0.00 C ATOM 46 CG ARG A 190 9.540 -9.380 1.057 1.00 0.00 C ATOM 47 CD ARG A 190 8.666 -8.359 1.772 1.00 0.00 C ATOM 48 NE ARG A 190 9.013 -6.987 1.406 1.00 0.00 N ATOM 49 CZ ARG A 190 8.607 -6.394 0.285 1.00 0.00 C ATOM 50 NH1 ARG A 190 7.844 -7.047 -0.582 1.00 0.00 N ATOM 51 NH2 ARG A 190 8.966 -5.143 0.032 1.00 0.00 N ATOM 0 H ARG A 190 8.656 -12.675 -0.686 1.00 0.00 H new ATOM 0 HA ARG A 190 9.187 -11.753 1.945 1.00 0.00 H new ATOM 0 HB2 ARG A 190 9.211 -10.696 -0.598 1.00 0.00 H new ATOM 0 HB3 ARG A 190 7.750 -9.976 0.047 1.00 0.00 H new ATOM 0 HG2 ARG A 190 10.188 -9.875 1.780 1.00 0.00 H new ATOM 0 HG3 ARG A 190 10.189 -8.869 0.346 1.00 0.00 H new ATOM 0 HD2 ARG A 190 7.620 -8.545 1.530 1.00 0.00 H new ATOM 0 HD3 ARG A 190 8.771 -8.484 2.850 1.00 0.00 H new ATOM 0 HE ARG A 190 9.600 -6.453 2.046 1.00 0.00 H new ATOM 0 HH11 ARG A 190 7.565 -8.009 -0.392 1.00 0.00 H new ATOM 0 HH12 ARG A 190 7.537 -6.587 -1.439 1.00 0.00 H new ATOM 0 HH21 ARG A 190 9.552 -4.637 0.696 1.00 0.00 H new ATOM 0 HH22 ARG A 190 8.656 -4.687 -0.826 1.00 0.00 H new ATOM 65 N ARG A 191 6.919 -10.736 2.773 1.00 0.00 N ATOM 66 CA ARG A 191 5.652 -10.562 3.472 1.00 0.00 C ATOM 67 C ARG A 191 4.522 -10.244 2.498 1.00 0.00 C ATOM 68 O ARG A 191 4.635 -9.333 1.677 1.00 0.00 O ATOM 69 CB ARG A 191 5.773 -9.457 4.503 1.00 0.00 C ATOM 70 CG ARG A 191 6.161 -9.952 5.885 1.00 0.00 C ATOM 71 CD ARG A 191 5.726 -8.976 6.967 1.00 0.00 C ATOM 72 NE ARG A 191 5.289 -9.662 8.181 1.00 0.00 N ATOM 73 CZ ARG A 191 4.079 -10.193 8.340 1.00 0.00 C ATOM 74 NH1 ARG A 191 3.181 -10.120 7.364 1.00 0.00 N ATOM 75 NH2 ARG A 191 3.765 -10.799 9.477 1.00 0.00 N ATOM 0 H ARG A 191 7.669 -10.131 3.107 1.00 0.00 H new ATOM 0 HA ARG A 191 5.413 -11.500 3.974 1.00 0.00 H new ATOM 0 HB2 ARG A 191 6.516 -8.735 4.163 1.00 0.00 H new ATOM 0 HB3 ARG A 191 4.822 -8.929 4.570 1.00 0.00 H new ATOM 0 HG2 ARG A 191 5.704 -10.925 6.066 1.00 0.00 H new ATOM 0 HG3 ARG A 191 7.241 -10.093 5.933 1.00 0.00 H new ATOM 0 HD2 ARG A 191 6.553 -8.308 7.206 1.00 0.00 H new ATOM 0 HD3 ARG A 191 4.914 -8.355 6.589 1.00 0.00 H new ATOM 0 HE ARG A 191 5.951 -9.738 8.953 1.00 0.00 H new ATOM 0 HH11 ARG A 191 3.417 -9.655 6.487 1.00 0.00 H new ATOM 0 HH12 ARG A 191 2.255 -10.529 7.491 1.00 0.00 H new ATOM 0 HH21 ARG A 191 4.451 -10.858 10.230 1.00 0.00 H new ATOM 0 HH22 ARG A 191 2.838 -11.206 9.599 1.00 0.00 H new ATOM 89 N ARG A 192 3.432 -10.998 2.595 1.00 0.00 N ATOM 90 CA ARG A 192 2.281 -10.793 1.723 1.00 0.00 C ATOM 91 C ARG A 192 1.765 -9.361 1.828 1.00 0.00 C ATOM 92 O ARG A 192 1.695 -8.796 2.918 1.00 0.00 O ATOM 93 CB ARG A 192 1.170 -11.777 2.073 1.00 0.00 C ATOM 94 CG ARG A 192 0.301 -12.164 0.887 1.00 0.00 C ATOM 95 CD ARG A 192 -0.068 -13.639 0.922 1.00 0.00 C ATOM 96 NE ARG A 192 0.540 -14.382 -0.181 1.00 0.00 N ATOM 97 CZ ARG A 192 0.408 -15.694 -0.352 1.00 0.00 C ATOM 98 NH1 ARG A 192 -0.306 -16.414 0.504 1.00 0.00 N ATOM 99 NH2 ARG A 192 0.994 -16.290 -1.382 1.00 0.00 N ATOM 0 H ARG A 192 3.321 -11.756 3.268 1.00 0.00 H new ATOM 0 HA ARG A 192 2.599 -10.968 0.695 1.00 0.00 H new ATOM 0 HB2 ARG A 192 1.614 -12.678 2.496 1.00 0.00 H new ATOM 0 HB3 ARG A 192 0.539 -11.339 2.847 1.00 0.00 H new ATOM 0 HG2 ARG A 192 -0.607 -11.561 0.888 1.00 0.00 H new ATOM 0 HG3 ARG A 192 0.830 -11.942 -0.040 1.00 0.00 H new ATOM 0 HD2 ARG A 192 0.253 -14.071 1.870 1.00 0.00 H new ATOM 0 HD3 ARG A 192 -1.152 -13.743 0.875 1.00 0.00 H new ATOM 0 HE ARG A 192 1.098 -13.863 -0.859 1.00 0.00 H new ATOM 0 HH11 ARG A 192 -0.757 -15.961 1.299 1.00 0.00 H new ATOM 0 HH12 ARG A 192 -0.403 -17.420 0.367 1.00 0.00 H new ATOM 0 HH21 ARG A 192 1.545 -15.742 -2.042 1.00 0.00 H new ATOM 0 HH22 ARG A 192 0.893 -17.296 -1.514 1.00 0.00 H new ATOM 113 N VAL A 193 1.411 -8.779 0.687 1.00 0.00 N ATOM 114 CA VAL A 193 0.909 -7.409 0.654 1.00 0.00 C ATOM 115 C VAL A 193 -0.460 -7.332 -0.018 1.00 0.00 C ATOM 116 O VAL A 193 -1.084 -8.352 -0.314 1.00 0.00 O ATOM 117 CB VAL A 193 1.890 -6.466 -0.072 1.00 0.00 C ATOM 118 CG1 VAL A 193 3.243 -6.463 0.623 1.00 0.00 C ATOM 119 CG2 VAL A 193 2.037 -6.860 -1.534 1.00 0.00 C ATOM 0 H VAL A 193 1.462 -9.233 -0.225 1.00 0.00 H new ATOM 0 HA VAL A 193 0.812 -7.086 1.690 1.00 0.00 H new ATOM 0 HB VAL A 193 1.483 -5.456 -0.033 1.00 0.00 H new ATOM 0 HG11 VAL A 193 3.921 -5.792 0.096 1.00 0.00 H new ATOM 0 HG12 VAL A 193 3.123 -6.123 1.652 1.00 0.00 H new ATOM 0 HG13 VAL A 193 3.656 -7.472 0.620 1.00 0.00 H new ATOM 0 HG21 VAL A 193 2.734 -6.181 -2.026 1.00 0.00 H new ATOM 0 HG22 VAL A 193 2.417 -7.880 -1.600 1.00 0.00 H new ATOM 0 HG23 VAL A 193 1.066 -6.802 -2.026 1.00 0.00 H new ATOM 129 N CYS A 194 -0.931 -6.106 -0.213 1.00 0.00 N ATOM 130 CA CYS A 194 -2.239 -5.853 -0.799 1.00 0.00 C ATOM 131 C CYS A 194 -2.432 -6.528 -2.152 1.00 0.00 C ATOM 132 O CYS A 194 -1.637 -6.353 -3.075 1.00 0.00 O ATOM 133 CB CYS A 194 -2.463 -4.347 -0.939 1.00 0.00 C ATOM 134 SG CYS A 194 -3.960 -3.899 -1.878 1.00 0.00 S ATOM 0 H CYS A 194 -0.416 -5.260 0.031 1.00 0.00 H new ATOM 0 HA CYS A 194 -2.975 -6.286 -0.121 1.00 0.00 H new ATOM 0 HB2 CYS A 194 -2.526 -3.906 0.056 1.00 0.00 H new ATOM 0 HB3 CYS A 194 -1.595 -3.906 -1.429 1.00 0.00 H new ATOM 139 N LYS A 195 -3.545 -7.244 -2.267 1.00 0.00 N ATOM 140 CA LYS A 195 -3.929 -7.891 -3.502 1.00 0.00 C ATOM 141 C LYS A 195 -5.390 -7.570 -3.766 1.00 0.00 C ATOM 142 O LYS A 195 -6.262 -8.434 -3.680 1.00 0.00 O ATOM 143 CB LYS A 195 -3.720 -9.398 -3.428 1.00 0.00 C ATOM 144 CG LYS A 195 -2.586 -9.822 -2.510 1.00 0.00 C ATOM 145 CD LYS A 195 -2.424 -11.333 -2.487 1.00 0.00 C ATOM 146 CE LYS A 195 -1.855 -11.851 -3.798 1.00 0.00 C ATOM 147 NZ LYS A 195 -1.034 -13.077 -3.601 1.00 0.00 N ATOM 0 H LYS A 195 -4.203 -7.388 -1.501 1.00 0.00 H new ATOM 0 HA LYS A 195 -3.305 -7.522 -4.316 1.00 0.00 H new ATOM 0 HB2 LYS A 195 -4.644 -9.866 -3.087 1.00 0.00 H new ATOM 0 HB3 LYS A 195 -3.522 -9.776 -4.431 1.00 0.00 H new ATOM 0 HG2 LYS A 195 -1.656 -9.360 -2.842 1.00 0.00 H new ATOM 0 HG3 LYS A 195 -2.779 -9.460 -1.500 1.00 0.00 H new ATOM 0 HD2 LYS A 195 -1.766 -11.617 -1.666 1.00 0.00 H new ATOM 0 HD3 LYS A 195 -3.390 -11.801 -2.298 1.00 0.00 H new ATOM 0 HE2 LYS A 195 -2.671 -12.067 -4.488 1.00 0.00 H new ATOM 0 HE3 LYS A 195 -1.244 -11.076 -4.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 195 -0.664 -13.398 -4.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 195 -0.240 -12.865 -2.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 195 -1.623 -13.826 -3.184 1.00 0.00 H new ATOM 161 N CYS A 196 -5.637 -6.311 -4.075 1.00 0.00 N ATOM 162 CA CYS A 196 -6.989 -5.830 -4.344 1.00 0.00 C ATOM 163 C CYS A 196 -7.162 -5.478 -5.819 1.00 0.00 C ATOM 164 O CYS A 196 -6.332 -4.774 -6.396 1.00 0.00 O ATOM 165 CB CYS A 196 -7.299 -4.598 -3.489 1.00 0.00 C ATOM 166 SG CYS A 196 -7.555 -4.945 -1.716 1.00 0.00 S ATOM 0 H CYS A 196 -4.916 -5.594 -4.148 1.00 0.00 H new ATOM 0 HA CYS A 196 -7.682 -6.632 -4.090 1.00 0.00 H new ATOM 0 HB2 CYS A 196 -6.480 -3.886 -3.591 1.00 0.00 H new ATOM 0 HB3 CYS A 196 -8.193 -4.114 -3.883 1.00 0.00 H new ATOM 171 N PRO A 197 -8.254 -5.946 -6.451 1.00 0.00 N ATOM 172 CA PRO A 197 -8.528 -5.653 -7.859 1.00 0.00 C ATOM 173 C PRO A 197 -8.848 -4.177 -8.061 1.00 0.00 C ATOM 174 O PRO A 197 -10.002 -3.805 -8.265 1.00 0.00 O ATOM 175 CB PRO A 197 -9.749 -6.520 -8.177 1.00 0.00 C ATOM 176 CG PRO A 197 -10.414 -6.735 -6.861 1.00 0.00 C ATOM 177 CD PRO A 197 -9.309 -6.775 -5.842 1.00 0.00 C ATOM 0 HA PRO A 197 -7.675 -5.863 -8.505 1.00 0.00 H new ATOM 0 HB2 PRO A 197 -10.416 -6.022 -8.881 1.00 0.00 H new ATOM 0 HB3 PRO A 197 -9.455 -7.466 -8.631 1.00 0.00 H new ATOM 0 HG2 PRO A 197 -11.117 -5.931 -6.643 1.00 0.00 H new ATOM 0 HG3 PRO A 197 -10.982 -7.665 -6.858 1.00 0.00 H new ATOM 0 HD2 PRO A 197 -9.633 -6.372 -4.882 1.00 0.00 H new ATOM 0 HD3 PRO A 197 -8.966 -7.794 -5.661 1.00 0.00 H new ATOM 185 N ARG A 198 -7.811 -3.345 -7.978 1.00 0.00 N ATOM 186 CA ARG A 198 -7.945 -1.896 -8.122 1.00 0.00 C ATOM 187 C ARG A 198 -8.280 -1.263 -6.764 1.00 0.00 C ATOM 188 O ARG A 198 -9.433 -1.248 -6.335 1.00 0.00 O ATOM 189 CB ARG A 198 -8.988 -1.535 -9.203 1.00 0.00 C ATOM 190 CG ARG A 198 -10.346 -1.083 -8.676 1.00 0.00 C ATOM 191 CD ARG A 198 -11.356 -0.916 -9.802 1.00 0.00 C ATOM 192 NE ARG A 198 -12.423 -1.911 -9.729 1.00 0.00 N ATOM 193 CZ ARG A 198 -13.398 -1.888 -8.822 1.00 0.00 C ATOM 194 NH1 ARG A 198 -13.446 -0.922 -7.913 1.00 0.00 N ATOM 195 NH2 ARG A 198 -14.329 -2.832 -8.826 1.00 0.00 N ATOM 0 H ARG A 198 -6.854 -3.656 -7.809 1.00 0.00 H new ATOM 0 HA ARG A 198 -6.993 -1.486 -8.459 1.00 0.00 H new ATOM 0 HB2 ARG A 198 -8.578 -0.743 -9.829 1.00 0.00 H new ATOM 0 HB3 ARG A 198 -9.137 -2.403 -9.845 1.00 0.00 H new ATOM 0 HG2 ARG A 198 -10.719 -1.812 -7.957 1.00 0.00 H new ATOM 0 HG3 ARG A 198 -10.234 -0.139 -8.143 1.00 0.00 H new ATOM 0 HD2 ARG A 198 -11.788 0.084 -9.757 1.00 0.00 H new ATOM 0 HD3 ARG A 198 -10.847 -1.000 -10.762 1.00 0.00 H new ATOM 0 HE ARG A 198 -12.421 -2.668 -10.413 1.00 0.00 H new ATOM 0 HH11 ARG A 198 -12.734 -0.192 -7.907 1.00 0.00 H new ATOM 0 HH12 ARG A 198 -14.195 -0.910 -7.221 1.00 0.00 H new ATOM 0 HH21 ARG A 198 -14.298 -3.576 -9.524 1.00 0.00 H new ATOM 0 HH22 ARG A 198 -15.076 -2.815 -8.131 1.00 0.00 H new ATOM 209 N PRO A 199 -7.259 -0.750 -6.053 1.00 0.00 N ATOM 210 CA PRO A 199 -7.448 -0.137 -4.734 1.00 0.00 C ATOM 211 C PRO A 199 -8.511 0.957 -4.750 1.00 0.00 C ATOM 212 O PRO A 199 -8.931 1.413 -5.813 1.00 0.00 O ATOM 213 CB PRO A 199 -6.074 0.458 -4.416 1.00 0.00 C ATOM 214 CG PRO A 199 -5.116 -0.362 -5.206 1.00 0.00 C ATOM 215 CD PRO A 199 -5.842 -0.745 -6.465 1.00 0.00 C ATOM 0 HA PRO A 199 -7.795 -0.860 -3.996 1.00 0.00 H new ATOM 0 HB2 PRO A 199 -6.023 1.509 -4.699 1.00 0.00 H new ATOM 0 HB3 PRO A 199 -5.856 0.404 -3.349 1.00 0.00 H new ATOM 0 HG2 PRO A 199 -4.212 0.204 -5.433 1.00 0.00 H new ATOM 0 HG3 PRO A 199 -4.807 -1.246 -4.649 1.00 0.00 H new ATOM 0 HD2 PRO A 199 -5.659 -0.031 -7.268 1.00 0.00 H new ATOM 0 HD3 PRO A 199 -5.526 -1.722 -6.830 1.00 0.00 H new ATOM 223 N VAL A 200 -8.938 1.375 -3.563 1.00 0.00 N ATOM 224 CA VAL A 200 -9.950 2.417 -3.440 1.00 0.00 C ATOM 225 C VAL A 200 -9.309 3.800 -3.383 1.00 0.00 C ATOM 226 O VAL A 200 -8.411 4.046 -2.578 1.00 0.00 O ATOM 227 CB VAL A 200 -10.824 2.208 -2.187 1.00 0.00 C ATOM 228 CG1 VAL A 200 -9.986 2.298 -0.920 1.00 0.00 C ATOM 229 CG2 VAL A 200 -11.963 3.216 -2.154 1.00 0.00 C ATOM 0 H VAL A 200 -8.599 1.008 -2.674 1.00 0.00 H new ATOM 0 HA VAL A 200 -10.583 2.352 -4.325 1.00 0.00 H new ATOM 0 HB VAL A 200 -11.254 1.208 -2.236 1.00 0.00 H new ATOM 0 HG11 VAL A 200 -10.625 2.147 -0.050 1.00 0.00 H new ATOM 0 HG12 VAL A 200 -9.213 1.530 -0.940 1.00 0.00 H new ATOM 0 HG13 VAL A 200 -9.519 3.281 -0.862 1.00 0.00 H new ATOM 0 HG21 VAL A 200 -12.568 3.052 -1.262 1.00 0.00 H new ATOM 0 HG22 VAL A 200 -11.554 4.226 -2.134 1.00 0.00 H new ATOM 0 HG23 VAL A 200 -12.584 3.093 -3.042 1.00 0.00 H new ATOM 239 N VAL A 201 -9.775 4.699 -4.244 1.00 0.00 N ATOM 240 CA VAL A 201 -9.244 6.057 -4.291 1.00 0.00 C ATOM 241 C VAL A 201 -9.803 6.906 -3.155 1.00 0.00 C ATOM 242 O VAL A 201 -11.015 6.954 -2.942 1.00 0.00 O ATOM 243 CB VAL A 201 -9.565 6.739 -5.634 1.00 0.00 C ATOM 244 CG1 VAL A 201 -8.859 8.083 -5.733 1.00 0.00 C ATOM 245 CG2 VAL A 201 -9.178 5.839 -6.797 1.00 0.00 C ATOM 0 H VAL A 201 -10.518 4.512 -4.918 1.00 0.00 H new ATOM 0 HA VAL A 201 -8.162 5.978 -4.182 1.00 0.00 H new ATOM 0 HB VAL A 201 -10.640 6.914 -5.683 1.00 0.00 H new ATOM 0 HG11 VAL A 201 -9.098 8.550 -6.689 1.00 0.00 H new ATOM 0 HG12 VAL A 201 -9.191 8.729 -4.920 1.00 0.00 H new ATOM 0 HG13 VAL A 201 -7.782 7.934 -5.661 1.00 0.00 H new ATOM 0 HG21 VAL A 201 -9.412 6.338 -7.737 1.00 0.00 H new ATOM 0 HG22 VAL A 201 -8.109 5.629 -6.754 1.00 0.00 H new ATOM 0 HG23 VAL A 201 -9.734 4.904 -6.734 1.00 0.00 H new ATOM 255 N LYS A 202 -8.913 7.577 -2.431 1.00 0.00 N ATOM 256 CA LYS A 202 -9.319 8.427 -1.318 1.00 0.00 C ATOM 257 C LYS A 202 -9.732 9.808 -1.815 1.00 0.00 C ATOM 258 O LYS A 202 -8.934 10.527 -2.417 1.00 0.00 O ATOM 259 CB LYS A 202 -8.180 8.556 -0.305 1.00 0.00 C ATOM 260 CG LYS A 202 -7.542 7.227 0.067 1.00 0.00 C ATOM 261 CD LYS A 202 -8.562 6.263 0.654 1.00 0.00 C ATOM 262 CE LYS A 202 -8.010 5.543 1.874 1.00 0.00 C ATOM 263 NZ LYS A 202 -9.041 4.693 2.531 1.00 0.00 N ATOM 0 H LYS A 202 -7.907 7.549 -2.595 1.00 0.00 H new ATOM 0 HA LYS A 202 -10.177 7.963 -0.831 1.00 0.00 H new ATOM 0 HB2 LYS A 202 -7.414 9.215 -0.714 1.00 0.00 H new ATOM 0 HB3 LYS A 202 -8.561 9.032 0.599 1.00 0.00 H new ATOM 0 HG2 LYS A 202 -7.086 6.781 -0.817 1.00 0.00 H new ATOM 0 HG3 LYS A 202 -6.742 7.396 0.788 1.00 0.00 H new ATOM 0 HD2 LYS A 202 -9.464 6.809 0.930 1.00 0.00 H new ATOM 0 HD3 LYS A 202 -8.850 5.532 -0.102 1.00 0.00 H new ATOM 0 HE2 LYS A 202 -7.164 4.923 1.578 1.00 0.00 H new ATOM 0 HE3 LYS A 202 -7.634 6.275 2.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 202 -8.625 4.219 3.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 202 -9.838 5.288 2.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 202 -9.382 3.977 1.858 1.00 0.00 H new ATOM 277 N SER A 203 -10.986 10.172 -1.564 1.00 0.00 N ATOM 278 CA SER A 203 -11.508 11.466 -1.988 1.00 0.00 C ATOM 279 C SER A 203 -11.530 11.572 -3.510 1.00 0.00 C ATOM 280 O SER A 203 -10.594 11.145 -4.185 1.00 0.00 O ATOM 281 CB SER A 203 -10.668 12.600 -1.398 1.00 0.00 C ATOM 282 OG SER A 203 -10.101 12.222 -0.155 1.00 0.00 O ATOM 0 H SER A 203 -11.660 9.588 -1.069 1.00 0.00 H new ATOM 0 HA SER A 203 -12.530 11.554 -1.620 1.00 0.00 H new ATOM 0 HB2 SER A 203 -9.875 12.870 -2.096 1.00 0.00 H new ATOM 0 HB3 SER A 203 -11.290 13.485 -1.263 1.00 0.00 H new ATOM 0 HG SER A 203 -9.568 12.963 0.200 1.00 0.00 H new ATOM 288 N GLY A 204 -12.606 12.141 -4.043 1.00 0.00 N ATOM 289 CA GLY A 204 -12.733 12.290 -5.481 1.00 0.00 C ATOM 290 C GLY A 204 -13.925 11.534 -6.035 1.00 0.00 C ATOM 291 O GLY A 204 -14.943 11.386 -5.358 1.00 0.00 O ATOM 0 H GLY A 204 -13.393 12.502 -3.504 1.00 0.00 H new ATOM 0 HA2 GLY A 204 -12.830 13.347 -5.727 1.00 0.00 H new ATOM 0 HA3 GLY A 204 -11.823 11.933 -5.963 1.00 0.00 H new ATOM 295 N ASP A 205 -13.801 11.053 -7.268 1.00 0.00 N ATOM 296 CA ASP A 205 -14.879 10.307 -7.907 1.00 0.00 C ATOM 297 C ASP A 205 -14.452 9.795 -9.281 1.00 0.00 C ATOM 298 O ASP A 205 -15.245 9.779 -10.223 1.00 0.00 O ATOM 299 CB ASP A 205 -16.124 11.186 -8.040 1.00 0.00 C ATOM 300 CG ASP A 205 -15.912 12.358 -8.980 1.00 0.00 C ATOM 301 OD1 ASP A 205 -16.163 12.198 -10.193 1.00 0.00 O ATOM 302 OD2 ASP A 205 -15.492 13.433 -8.503 1.00 0.00 O ATOM 0 H ASP A 205 -12.966 11.166 -7.843 1.00 0.00 H new ATOM 0 HA ASP A 205 -15.114 9.447 -7.279 1.00 0.00 H new ATOM 0 HB2 ASP A 205 -16.955 10.580 -8.402 1.00 0.00 H new ATOM 0 HB3 ASP A 205 -16.407 11.560 -7.056 1.00 0.00 H new ATOM 307 N LYS A 206 -13.197 9.374 -9.388 1.00 0.00 N ATOM 308 CA LYS A 206 -12.669 8.859 -10.647 1.00 0.00 C ATOM 309 C LYS A 206 -12.752 7.337 -10.689 1.00 0.00 C ATOM 310 O LYS A 206 -12.101 6.686 -9.845 1.00 0.00 O ATOM 311 CB LYS A 206 -11.220 9.308 -10.840 1.00 0.00 C ATOM 312 CG LYS A 206 -11.086 10.756 -11.281 1.00 0.00 C ATOM 313 CD LYS A 206 -10.894 11.684 -10.093 1.00 0.00 C ATOM 314 CE LYS A 206 -10.400 13.053 -10.530 1.00 0.00 C ATOM 315 NZ LYS A 206 -9.616 13.729 -9.458 1.00 0.00 N ATOM 316 OXT LYS A 206 -13.468 6.808 -11.565 1.00 0.00 O ATOM 0 H LYS A 206 -12.526 9.379 -8.619 1.00 0.00 H new ATOM 0 HA LYS A 206 -13.276 9.261 -11.458 1.00 0.00 H new ATOM 0 HB2 LYS A 206 -10.678 9.170 -9.904 1.00 0.00 H new ATOM 0 HB3 LYS A 206 -10.745 8.666 -11.581 1.00 0.00 H new ATOM 0 HG2 LYS A 206 -10.240 10.854 -11.961 1.00 0.00 H new ATOM 0 HG3 LYS A 206 -11.976 11.053 -11.836 1.00 0.00 H new ATOM 0 HD2 LYS A 206 -11.837 11.790 -9.557 1.00 0.00 H new ATOM 0 HD3 LYS A 206 -10.180 11.243 -9.397 1.00 0.00 H new ATOM 0 HE2 LYS A 206 -9.781 12.948 -11.421 1.00 0.00 H new ATOM 0 HE3 LYS A 206 -11.251 13.676 -10.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 206 -9.297 14.660 -9.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 206 -10.214 13.852 -8.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 206 -8.789 13.148 -9.213 1.00 0.00 H new TER 330 LYS A 206 ATOM 331 N SER B 7 13.378 14.115 -9.041 1.00 0.00 N ATOM 332 CA SER B 7 13.972 12.828 -8.591 1.00 0.00 C ATOM 333 C SER B 7 13.224 12.267 -7.385 1.00 0.00 C ATOM 334 O SER B 7 12.629 13.012 -6.608 1.00 0.00 O ATOM 335 CB SER B 7 15.442 13.066 -8.238 1.00 0.00 C ATOM 336 OG SER B 7 16.292 12.666 -9.299 1.00 0.00 O ATOM 0 HA SER B 7 13.893 12.097 -9.395 1.00 0.00 H new ATOM 0 HB2 SER B 7 15.600 14.122 -8.019 1.00 0.00 H new ATOM 0 HB3 SER B 7 15.697 12.512 -7.335 1.00 0.00 H new ATOM 0 HG SER B 7 17.226 12.830 -9.050 1.00 0.00 H new ATOM 344 N HIS B 8 13.261 10.947 -7.237 1.00 0.00 N ATOM 345 CA HIS B 8 12.589 10.283 -6.126 1.00 0.00 C ATOM 346 C HIS B 8 13.595 9.862 -5.057 1.00 0.00 C ATOM 347 O HIS B 8 14.735 9.516 -5.368 1.00 0.00 O ATOM 348 CB HIS B 8 11.816 9.060 -6.628 1.00 0.00 C ATOM 349 CG HIS B 8 10.336 9.170 -6.440 1.00 0.00 C ATOM 350 ND1 HIS B 8 9.431 8.376 -7.115 1.00 0.00 N ATOM 351 CD2 HIS B 8 9.599 9.985 -5.647 1.00 0.00 C ATOM 352 CE1 HIS B 8 8.204 8.700 -6.746 1.00 0.00 C ATOM 353 NE2 HIS B 8 8.279 9.671 -5.856 1.00 0.00 N ATOM 0 H HIS B 8 13.749 10.316 -7.872 1.00 0.00 H new ATOM 0 HA HIS B 8 11.888 10.989 -5.682 1.00 0.00 H new ATOM 0 HB2 HIS B 8 12.030 8.915 -7.687 1.00 0.00 H new ATOM 0 HB3 HIS B 8 12.176 8.173 -6.106 1.00 0.00 H new ATOM 0 HD2 HIS B 8 9.979 10.741 -4.976 1.00 0.00 H new ATOM 0 HE1 HIS B 8 7.294 8.247 -7.111 1.00 0.00 H new ATOM 0 HE2 HIS B 8 7.484 10.117 -5.397 1.00 0.00 H new ATOM 362 N PRO B 9 13.185 9.888 -3.776 1.00 0.00 N ATOM 363 CA PRO B 9 14.055 9.507 -2.658 1.00 0.00 C ATOM 364 C PRO B 9 14.759 8.175 -2.896 1.00 0.00 C ATOM 365 O PRO B 9 14.569 7.535 -3.930 1.00 0.00 O ATOM 366 CB PRO B 9 13.085 9.398 -1.480 1.00 0.00 C ATOM 367 CG PRO B 9 11.975 10.331 -1.819 1.00 0.00 C ATOM 368 CD PRO B 9 11.841 10.292 -3.318 1.00 0.00 C ATOM 0 HA PRO B 9 14.859 10.226 -2.502 1.00 0.00 H new ATOM 0 HB2 PRO B 9 12.722 8.377 -1.359 1.00 0.00 H new ATOM 0 HB3 PRO B 9 13.566 9.678 -0.543 1.00 0.00 H new ATOM 0 HG2 PRO B 9 11.047 10.024 -1.337 1.00 0.00 H new ATOM 0 HG3 PRO B 9 12.195 11.341 -1.473 1.00 0.00 H new ATOM 0 HD2 PRO B 9 11.079 9.580 -3.634 1.00 0.00 H new ATOM 0 HD3 PRO B 9 11.556 11.264 -3.720 1.00 0.00 H new ATOM 376 N GLU B 10 15.575 7.761 -1.931 1.00 0.00 N ATOM 377 CA GLU B 10 16.311 6.505 -2.034 1.00 0.00 C ATOM 378 C GLU B 10 15.514 5.347 -1.440 1.00 0.00 C ATOM 379 O GLU B 10 16.068 4.487 -0.755 1.00 0.00 O ATOM 380 CB GLU B 10 17.664 6.625 -1.329 1.00 0.00 C ATOM 381 CG GLU B 10 18.767 5.816 -1.989 1.00 0.00 C ATOM 382 CD GLU B 10 19.519 6.606 -3.043 1.00 0.00 C ATOM 383 OE1 GLU B 10 18.888 7.448 -3.716 1.00 0.00 O ATOM 384 OE2 GLU B 10 20.738 6.383 -3.194 1.00 0.00 O ATOM 0 H GLU B 10 15.743 8.278 -1.068 1.00 0.00 H new ATOM 0 HA GLU B 10 16.475 6.298 -3.092 1.00 0.00 H new ATOM 0 HB2 GLU B 10 17.959 7.674 -1.304 1.00 0.00 H new ATOM 0 HB3 GLU B 10 17.555 6.300 -0.294 1.00 0.00 H new ATOM 0 HG2 GLU B 10 19.468 5.475 -1.227 1.00 0.00 H new ATOM 0 HG3 GLU B 10 18.335 4.926 -2.447 1.00 0.00 H new ATOM 391 N ASP B 11 14.213 5.328 -1.707 1.00 0.00 N ATOM 392 CA ASP B 11 13.342 4.272 -1.201 1.00 0.00 C ATOM 393 C ASP B 11 13.300 4.287 0.324 1.00 0.00 C ATOM 394 O ASP B 11 14.254 3.879 0.985 1.00 0.00 O ATOM 395 CB ASP B 11 13.818 2.905 -1.696 1.00 0.00 C ATOM 396 CG ASP B 11 14.114 2.898 -3.183 1.00 0.00 C ATOM 397 OD1 ASP B 11 13.569 3.763 -3.901 1.00 0.00 O ATOM 398 OD2 ASP B 11 14.889 2.027 -3.630 1.00 0.00 O ATOM 0 H ASP B 11 13.737 6.032 -2.271 1.00 0.00 H new ATOM 0 HA ASP B 11 12.336 4.455 -1.577 1.00 0.00 H new ATOM 0 HB2 ASP B 11 14.715 2.616 -1.149 1.00 0.00 H new ATOM 0 HB3 ASP B 11 13.056 2.157 -1.477 1.00 0.00 H new ATOM 403 N ASP B 12 12.185 4.758 0.874 1.00 0.00 N ATOM 404 CA ASP B 12 12.014 4.826 2.321 1.00 0.00 C ATOM 405 C ASP B 12 10.629 5.359 2.678 1.00 0.00 C ATOM 406 O ASP B 12 10.493 6.462 3.207 1.00 0.00 O ATOM 407 CB ASP B 12 13.094 5.714 2.942 1.00 0.00 C ATOM 408 CG ASP B 12 13.426 5.312 4.366 1.00 0.00 C ATOM 409 OD1 ASP B 12 13.337 4.105 4.677 1.00 0.00 O ATOM 410 OD2 ASP B 12 13.774 6.202 5.170 1.00 0.00 O ATOM 0 H ASP B 12 11.386 5.098 0.339 1.00 0.00 H new ATOM 0 HA ASP B 12 12.110 3.818 2.723 1.00 0.00 H new ATOM 0 HB2 ASP B 12 13.997 5.663 2.333 1.00 0.00 H new ATOM 0 HB3 ASP B 12 12.759 6.751 2.929 1.00 0.00 H new ATOM 415 N TRP B 13 9.603 4.569 2.378 1.00 0.00 N ATOM 416 CA TRP B 13 8.228 4.961 2.660 1.00 0.00 C ATOM 417 C TRP B 13 7.748 4.399 4.002 1.00 0.00 C ATOM 418 O TRP B 13 6.563 4.125 4.193 1.00 0.00 O ATOM 419 CB TRP B 13 7.319 4.553 1.494 1.00 0.00 C ATOM 420 CG TRP B 13 6.453 3.372 1.762 1.00 0.00 C ATOM 421 CD1 TRP B 13 5.132 3.264 1.489 1.00 0.00 C ATOM 422 CD2 TRP B 13 6.848 2.144 2.364 1.00 0.00 C ATOM 423 NE1 TRP B 13 4.671 2.024 1.866 1.00 0.00 N ATOM 424 CE2 TRP B 13 5.713 1.317 2.411 1.00 0.00 C ATOM 425 CE3 TRP B 13 8.056 1.671 2.860 1.00 0.00 C ATOM 426 CZ2 TRP B 13 5.757 0.030 2.939 1.00 0.00 C ATOM 427 CZ3 TRP B 13 8.103 0.393 3.388 1.00 0.00 C ATOM 428 CH2 TRP B 13 6.959 -0.416 3.421 1.00 0.00 C ATOM 0 H TRP B 13 9.699 3.653 1.939 1.00 0.00 H new ATOM 0 HA TRP B 13 8.183 6.046 2.754 1.00 0.00 H new ATOM 0 HB2 TRP B 13 6.684 5.400 1.233 1.00 0.00 H new ATOM 0 HB3 TRP B 13 7.941 4.340 0.624 1.00 0.00 H new ATOM 0 HD1 TRP B 13 4.528 4.039 1.040 1.00 0.00 H new ATOM 0 HE1 TRP B 13 3.714 1.687 1.758 1.00 0.00 H new ATOM 0 HE3 TRP B 13 8.941 2.289 2.834 1.00 0.00 H new ATOM 0 HZ2 TRP B 13 4.876 -0.594 2.968 1.00 0.00 H new ATOM 0 HZ3 TRP B 13 9.035 0.013 3.780 1.00 0.00 H new ATOM 0 HH2 TRP B 13 7.027 -1.411 3.835 1.00 0.00 H new ATOM 439 N LEU B 14 8.679 4.255 4.937 1.00 0.00 N ATOM 440 CA LEU B 14 8.364 3.747 6.265 1.00 0.00 C ATOM 441 C LEU B 14 8.164 4.896 7.241 1.00 0.00 C ATOM 442 O LEU B 14 8.681 4.885 8.359 1.00 0.00 O ATOM 443 CB LEU B 14 9.470 2.818 6.756 1.00 0.00 C ATOM 444 CG LEU B 14 9.281 1.339 6.405 1.00 0.00 C ATOM 445 CD1 LEU B 14 10.487 0.809 5.645 1.00 0.00 C ATOM 446 CD2 LEU B 14 9.041 0.517 7.663 1.00 0.00 C ATOM 0 H LEU B 14 9.663 4.484 4.798 1.00 0.00 H new ATOM 0 HA LEU B 14 7.436 3.179 6.206 1.00 0.00 H new ATOM 0 HB2 LEU B 14 10.419 3.156 6.339 1.00 0.00 H new ATOM 0 HB3 LEU B 14 9.547 2.911 7.839 1.00 0.00 H new ATOM 0 HG LEU B 14 8.405 1.250 5.763 1.00 0.00 H new ATOM 0 HD11 LEU B 14 10.332 -0.243 5.405 1.00 0.00 H new ATOM 0 HD12 LEU B 14 10.614 1.376 4.723 1.00 0.00 H new ATOM 0 HD13 LEU B 14 11.380 0.913 6.261 1.00 0.00 H new ATOM 0 HD21 LEU B 14 8.909 -0.531 7.393 1.00 0.00 H new ATOM 0 HD22 LEU B 14 9.897 0.615 8.330 1.00 0.00 H new ATOM 0 HD23 LEU B 14 8.145 0.877 8.168 1.00 0.00 H new ATOM 458 N GLU B 15 7.403 5.883 6.798 1.00 0.00 N ATOM 459 CA GLU B 15 7.108 7.057 7.608 1.00 0.00 C ATOM 460 C GLU B 15 5.625 7.398 7.524 1.00 0.00 C ATOM 461 O GLU B 15 5.235 8.376 6.884 1.00 0.00 O ATOM 462 CB GLU B 15 7.952 8.248 7.150 1.00 0.00 C ATOM 463 CG GLU B 15 7.795 8.576 5.673 1.00 0.00 C ATOM 464 CD GLU B 15 7.950 10.057 5.387 1.00 0.00 C ATOM 465 OE1 GLU B 15 8.645 10.743 6.166 1.00 0.00 O ATOM 466 OE2 GLU B 15 7.378 10.532 4.383 1.00 0.00 O ATOM 0 H GLU B 15 6.974 5.895 5.873 1.00 0.00 H new ATOM 0 HA GLU B 15 7.357 6.834 8.645 1.00 0.00 H new ATOM 0 HB2 GLU B 15 7.679 9.124 7.739 1.00 0.00 H new ATOM 0 HB3 GLU B 15 9.002 8.040 7.357 1.00 0.00 H new ATOM 0 HG2 GLU B 15 8.536 8.019 5.100 1.00 0.00 H new ATOM 0 HG3 GLU B 15 6.814 8.244 5.333 1.00 0.00 H new ATOM 473 N ASN B 16 4.805 6.570 8.167 1.00 0.00 N ATOM 474 CA ASN B 16 3.354 6.751 8.173 1.00 0.00 C ATOM 475 C ASN B 16 2.734 6.152 6.914 1.00 0.00 C ATOM 476 O ASN B 16 2.063 6.840 6.144 1.00 0.00 O ATOM 477 CB ASN B 16 2.983 8.221 8.304 1.00 0.00 C ATOM 478 CG ASN B 16 1.908 8.457 9.347 1.00 0.00 C ATOM 479 OD1 ASN B 16 2.116 8.215 10.536 1.00 0.00 O ATOM 480 ND2 ASN B 16 0.749 8.932 8.905 1.00 0.00 N ATOM 0 H ASN B 16 5.125 5.759 8.696 1.00 0.00 H new ATOM 0 HA ASN B 16 2.954 6.226 9.041 1.00 0.00 H new ATOM 0 HB2 ASN B 16 3.872 8.795 8.566 1.00 0.00 H new ATOM 0 HB3 ASN B 16 2.637 8.593 7.339 1.00 0.00 H new ATOM 0 HD21 ASN B 16 -0.012 9.110 9.560 1.00 0.00 H new ATOM 0 HD22 ASN B 16 0.620 9.118 7.910 1.00 0.00 H new ATOM 487 N ILE B 17 2.971 4.859 6.714 1.00 0.00 N ATOM 488 CA ILE B 17 2.450 4.151 5.551 1.00 0.00 C ATOM 489 C ILE B 17 0.942 3.959 5.639 1.00 0.00 C ATOM 490 O ILE B 17 0.358 4.012 6.720 1.00 0.00 O ATOM 491 CB ILE B 17 3.107 2.779 5.388 1.00 0.00 C ATOM 492 CG1 ILE B 17 4.618 2.867 5.626 1.00 0.00 C ATOM 493 CG2 ILE B 17 2.808 2.205 4.011 1.00 0.00 C ATOM 494 CD1 ILE B 17 5.084 2.091 6.840 1.00 0.00 C ATOM 0 H ILE B 17 3.523 4.279 7.346 1.00 0.00 H new ATOM 0 HA ILE B 17 2.685 4.771 4.686 1.00 0.00 H new ATOM 0 HB ILE B 17 2.688 2.107 6.137 1.00 0.00 H new ATOM 0 HG12 ILE B 17 5.139 2.494 4.744 1.00 0.00 H new ATOM 0 HG13 ILE B 17 4.899 3.914 5.744 1.00 0.00 H new ATOM 0 HG21 ILE B 17 3.283 1.229 3.913 1.00 0.00 H new ATOM 0 HG22 ILE B 17 1.730 2.098 3.888 1.00 0.00 H new ATOM 0 HG23 ILE B 17 3.196 2.876 3.245 1.00 0.00 H new ATOM 0 HD11 ILE B 17 6.163 2.198 6.948 1.00 0.00 H new ATOM 0 HD12 ILE B 17 4.590 2.479 7.731 1.00 0.00 H new ATOM 0 HD13 ILE B 17 4.834 1.037 6.716 1.00 0.00 H new ATOM 506 N ASP B 18 0.319 3.727 4.488 1.00 0.00 N ATOM 507 CA ASP B 18 -1.121 3.515 4.424 1.00 0.00 C ATOM 508 C ASP B 18 -1.434 2.026 4.310 1.00 0.00 C ATOM 509 O ASP B 18 -1.262 1.427 3.248 1.00 0.00 O ATOM 510 CB ASP B 18 -1.715 4.272 3.235 1.00 0.00 C ATOM 511 CG ASP B 18 -2.520 5.483 3.664 1.00 0.00 C ATOM 512 OD1 ASP B 18 -3.354 5.345 4.584 1.00 0.00 O ATOM 513 OD2 ASP B 18 -2.318 6.567 3.080 1.00 0.00 O ATOM 0 H ASP B 18 0.791 3.681 3.585 1.00 0.00 H new ATOM 0 HA ASP B 18 -1.569 3.896 5.342 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -0.911 4.590 2.572 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -2.353 3.599 2.662 1.00 0.00 H new ATOM 518 N VAL B 19 -1.888 1.434 5.408 1.00 0.00 N ATOM 519 CA VAL B 19 -2.217 0.014 5.427 1.00 0.00 C ATOM 520 C VAL B 19 -3.616 -0.236 4.875 1.00 0.00 C ATOM 521 O VAL B 19 -4.615 0.158 5.476 1.00 0.00 O ATOM 522 CB VAL B 19 -2.119 -0.569 6.850 1.00 0.00 C ATOM 523 CG1 VAL B 19 -2.434 -2.056 6.846 1.00 0.00 C ATOM 524 CG2 VAL B 19 -0.739 -0.316 7.436 1.00 0.00 C ATOM 0 H VAL B 19 -2.037 1.914 6.296 1.00 0.00 H new ATOM 0 HA VAL B 19 -1.488 -0.487 4.791 1.00 0.00 H new ATOM 0 HB VAL B 19 -2.856 -0.067 7.476 1.00 0.00 H new ATOM 0 HG11 VAL B 19 -2.359 -2.447 7.861 1.00 0.00 H new ATOM 0 HG12 VAL B 19 -3.445 -2.213 6.471 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -1.724 -2.577 6.203 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -0.688 -0.735 8.441 1.00 0.00 H new ATOM 0 HG22 VAL B 19 0.016 -0.789 6.807 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -0.554 0.757 7.480 1.00 0.00 H new ATOM 534 N CYS B 20 -3.674 -0.899 3.726 1.00 0.00 N ATOM 535 CA CYS B 20 -4.942 -1.214 3.080 1.00 0.00 C ATOM 536 C CYS B 20 -5.807 -2.089 3.982 1.00 0.00 C ATOM 537 O CYS B 20 -5.683 -3.313 3.981 1.00 0.00 O ATOM 538 CB CYS B 20 -4.680 -1.915 1.751 1.00 0.00 C ATOM 539 SG CYS B 20 -6.179 -2.251 0.763 1.00 0.00 S ATOM 0 H CYS B 20 -2.852 -1.230 3.220 1.00 0.00 H new ATOM 0 HA CYS B 20 -5.482 -0.285 2.895 1.00 0.00 H new ATOM 0 HB2 CYS B 20 -4.000 -1.302 1.159 1.00 0.00 H new ATOM 0 HB3 CYS B 20 -4.170 -2.858 1.947 1.00 0.00 H new ATOM 544 N GLU B 21 -6.680 -1.447 4.755 1.00 0.00 N ATOM 545 CA GLU B 21 -7.566 -2.159 5.672 1.00 0.00 C ATOM 546 C GLU B 21 -8.366 -3.243 4.954 1.00 0.00 C ATOM 547 O GLU B 21 -8.824 -4.201 5.576 1.00 0.00 O ATOM 548 CB GLU B 21 -8.521 -1.177 6.354 1.00 0.00 C ATOM 549 CG GLU B 21 -9.219 -0.235 5.387 1.00 0.00 C ATOM 550 CD GLU B 21 -8.886 1.221 5.643 1.00 0.00 C ATOM 551 OE1 GLU B 21 -7.734 1.622 5.374 1.00 0.00 O ATOM 552 OE2 GLU B 21 -9.776 1.960 6.112 1.00 0.00 O ATOM 0 H GLU B 21 -6.793 -0.433 4.764 1.00 0.00 H new ATOM 0 HA GLU B 21 -6.942 -2.642 6.424 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -9.273 -1.740 6.907 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -7.964 -0.588 7.083 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -8.936 -0.494 4.367 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -10.297 -0.376 5.464 1.00 0.00 H new ATOM 559 N ASN B 22 -8.534 -3.088 3.643 1.00 0.00 N ATOM 560 CA ASN B 22 -9.282 -4.060 2.851 1.00 0.00 C ATOM 561 C ASN B 22 -8.723 -5.466 3.046 1.00 0.00 C ATOM 562 O ASN B 22 -9.472 -6.442 3.089 1.00 0.00 O ATOM 563 CB ASN B 22 -9.238 -3.681 1.368 1.00 0.00 C ATOM 564 CG ASN B 22 -10.573 -3.888 0.679 1.00 0.00 C ATOM 565 OD1 ASN B 22 -11.015 -5.021 0.484 1.00 0.00 O ATOM 566 ND2 ASN B 22 -11.222 -2.792 0.304 1.00 0.00 N ATOM 0 H ASN B 22 -8.164 -2.302 3.109 1.00 0.00 H new ATOM 0 HA ASN B 22 -10.317 -4.050 3.191 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -8.940 -2.637 1.271 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -8.476 -4.278 0.866 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -12.124 -2.869 -0.166 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -10.818 -1.873 0.486 1.00 0.00 H new ATOM 573 N CYS B 23 -7.404 -5.560 3.158 1.00 0.00 N ATOM 574 CA CYS B 23 -6.742 -6.848 3.343 1.00 0.00 C ATOM 575 C CYS B 23 -5.710 -6.799 4.474 1.00 0.00 C ATOM 576 O CYS B 23 -5.071 -7.807 4.779 1.00 0.00 O ATOM 577 CB CYS B 23 -6.068 -7.286 2.043 1.00 0.00 C ATOM 578 SG CYS B 23 -5.218 -5.943 1.153 1.00 0.00 S ATOM 0 H CYS B 23 -6.771 -4.761 3.124 1.00 0.00 H new ATOM 0 HA CYS B 23 -7.507 -7.574 3.619 1.00 0.00 H new ATOM 0 HB2 CYS B 23 -5.346 -8.071 2.268 1.00 0.00 H new ATOM 0 HB3 CYS B 23 -6.820 -7.723 1.386 1.00 0.00 H new ATOM 583 N HIS B 24 -5.548 -5.630 5.094 1.00 0.00 N ATOM 584 CA HIS B 24 -4.592 -5.464 6.191 1.00 0.00 C ATOM 585 C HIS B 24 -3.149 -5.461 5.685 1.00 0.00 C ATOM 586 O HIS B 24 -2.207 -5.422 6.477 1.00 0.00 O ATOM 587 CB HIS B 24 -4.772 -6.559 7.237 1.00 0.00 C ATOM 588 CG HIS B 24 -6.193 -6.998 7.419 1.00 0.00 C ATOM 589 ND1 HIS B 24 -6.560 -8.319 7.562 1.00 0.00 N ATOM 590 CD2 HIS B 24 -7.340 -6.282 7.481 1.00 0.00 C ATOM 591 CE1 HIS B 24 -7.871 -8.397 7.705 1.00 0.00 C ATOM 592 NE2 HIS B 24 -8.367 -7.174 7.660 1.00 0.00 N ATOM 0 H HIS B 24 -6.066 -4.784 4.856 1.00 0.00 H new ATOM 0 HA HIS B 24 -4.794 -4.496 6.651 1.00 0.00 H new ATOM 0 HB2 HIS B 24 -4.169 -7.422 6.953 1.00 0.00 H new ATOM 0 HB3 HIS B 24 -4.387 -6.202 8.192 1.00 0.00 H new ATOM 0 HD2 HIS B 24 -7.430 -5.209 7.404 1.00 0.00 H new ATOM 0 HE1 HIS B 24 -8.440 -9.306 7.836 1.00 0.00 H new ATOM 0 HE2 HIS B 24 -9.354 -6.932 7.745 1.00 0.00 H new ATOM 601 N TYR B 25 -2.980 -5.500 4.367 1.00 0.00 N ATOM 602 CA TYR B 25 -1.665 -5.499 3.757 1.00 0.00 C ATOM 603 C TYR B 25 -1.195 -4.073 3.489 1.00 0.00 C ATOM 604 O TYR B 25 -2.007 -3.178 3.255 1.00 0.00 O ATOM 605 CB TYR B 25 -1.721 -6.275 2.458 1.00 0.00 C ATOM 606 CG TYR B 25 -1.823 -7.771 2.647 1.00 0.00 C ATOM 607 CD1 TYR B 25 -1.048 -8.425 3.597 1.00 0.00 C ATOM 608 CD2 TYR B 25 -2.699 -8.530 1.880 1.00 0.00 C ATOM 609 CE1 TYR B 25 -1.140 -9.792 3.775 1.00 0.00 C ATOM 610 CE2 TYR B 25 -2.798 -9.898 2.053 1.00 0.00 C ATOM 611 CZ TYR B 25 -2.016 -10.523 3.001 1.00 0.00 C ATOM 612 OH TYR B 25 -2.111 -11.884 3.175 1.00 0.00 O ATOM 0 H TYR B 25 -3.750 -5.533 3.699 1.00 0.00 H new ATOM 0 HA TYR B 25 -0.957 -5.969 4.439 1.00 0.00 H new ATOM 0 HB2 TYR B 25 -2.577 -5.932 1.877 1.00 0.00 H new ATOM 0 HB3 TYR B 25 -0.829 -6.052 1.873 1.00 0.00 H new ATOM 0 HD1 TYR B 25 -0.362 -7.855 4.206 1.00 0.00 H new ATOM 0 HD2 TYR B 25 -3.313 -8.043 1.137 1.00 0.00 H new ATOM 0 HE1 TYR B 25 -0.529 -10.285 4.516 1.00 0.00 H new ATOM 0 HE2 TYR B 25 -3.484 -10.474 1.449 1.00 0.00 H new ATOM 0 HH TYR B 25 -2.775 -12.248 2.552 1.00 0.00 H new ATOM 622 N PRO B 26 0.126 -3.840 3.521 1.00 0.00 N ATOM 623 CA PRO B 26 0.696 -2.516 3.279 1.00 0.00 C ATOM 624 C PRO B 26 0.722 -2.157 1.798 1.00 0.00 C ATOM 625 O PRO B 26 1.607 -2.595 1.061 1.00 0.00 O ATOM 626 CB PRO B 26 2.117 -2.649 3.822 1.00 0.00 C ATOM 627 CG PRO B 26 2.457 -4.087 3.624 1.00 0.00 C ATOM 628 CD PRO B 26 1.168 -4.850 3.793 1.00 0.00 C ATOM 0 HA PRO B 26 0.113 -1.724 3.750 1.00 0.00 H new ATOM 0 HB2 PRO B 26 2.809 -2.000 3.286 1.00 0.00 H new ATOM 0 HB3 PRO B 26 2.168 -2.370 4.874 1.00 0.00 H new ATOM 0 HG2 PRO B 26 2.882 -4.254 2.634 1.00 0.00 H new ATOM 0 HG3 PRO B 26 3.202 -4.415 4.350 1.00 0.00 H new ATOM 0 HD2 PRO B 26 1.105 -5.688 3.099 1.00 0.00 H new ATOM 0 HD3 PRO B 26 1.075 -5.261 4.798 1.00 0.00 H new ATOM 636 N ILE B 27 -0.244 -1.351 1.366 1.00 0.00 N ATOM 637 CA ILE B 27 -0.313 -0.934 -0.028 1.00 0.00 C ATOM 638 C ILE B 27 0.867 -0.028 -0.376 1.00 0.00 C ATOM 639 O ILE B 27 0.866 1.165 -0.070 1.00 0.00 O ATOM 640 CB ILE B 27 -1.661 -0.231 -0.350 1.00 0.00 C ATOM 641 CG1 ILE B 27 -2.673 -1.251 -0.870 1.00 0.00 C ATOM 642 CG2 ILE B 27 -1.484 0.899 -1.360 1.00 0.00 C ATOM 643 CD1 ILE B 27 -4.024 -0.649 -1.199 1.00 0.00 C ATOM 0 H ILE B 27 -0.985 -0.976 1.958 1.00 0.00 H new ATOM 0 HA ILE B 27 -0.257 -1.831 -0.645 1.00 0.00 H new ATOM 0 HB ILE B 27 -2.034 0.210 0.574 1.00 0.00 H new ATOM 0 HG12 ILE B 27 -2.270 -1.728 -1.763 1.00 0.00 H new ATOM 0 HG13 ILE B 27 -2.805 -2.033 -0.123 1.00 0.00 H new ATOM 0 HG21 ILE B 27 -2.449 1.365 -1.558 1.00 0.00 H new ATOM 0 HG22 ILE B 27 -0.798 1.644 -0.956 1.00 0.00 H new ATOM 0 HG23 ILE B 27 -1.078 0.497 -2.288 1.00 0.00 H new ATOM 0 HD11 ILE B 27 -4.692 -1.430 -1.562 1.00 0.00 H new ATOM 0 HD12 ILE B 27 -4.449 -0.196 -0.303 1.00 0.00 H new ATOM 0 HD13 ILE B 27 -3.905 0.113 -1.969 1.00 0.00 H new ATOM 655 N VAL B 28 1.873 -0.615 -1.014 1.00 0.00 N ATOM 656 CA VAL B 28 3.067 0.113 -1.411 1.00 0.00 C ATOM 657 C VAL B 28 3.031 0.305 -2.921 1.00 0.00 C ATOM 658 O VAL B 28 2.370 -0.437 -3.648 1.00 0.00 O ATOM 659 CB VAL B 28 4.365 -0.628 -1.075 1.00 0.00 C ATOM 660 CG1 VAL B 28 5.433 0.312 -0.537 1.00 0.00 C ATOM 661 CG2 VAL B 28 4.134 -1.816 -0.151 1.00 0.00 C ATOM 0 H VAL B 28 1.882 -1.603 -1.268 1.00 0.00 H new ATOM 0 HA VAL B 28 3.064 1.055 -0.863 1.00 0.00 H new ATOM 0 HB VAL B 28 4.741 -1.035 -2.014 1.00 0.00 H new ATOM 0 HG11 VAL B 28 6.336 -0.255 -0.312 1.00 0.00 H new ATOM 0 HG12 VAL B 28 5.659 1.072 -1.285 1.00 0.00 H new ATOM 0 HG13 VAL B 28 5.070 0.793 0.371 1.00 0.00 H new ATOM 0 HG21 VAL B 28 5.085 -2.306 0.056 1.00 0.00 H new ATOM 0 HG22 VAL B 28 3.693 -1.470 0.784 1.00 0.00 H new ATOM 0 HG23 VAL B 28 3.458 -2.524 -0.630 1.00 0.00 H new ATOM 671 N PRO B 29 3.751 1.301 -3.391 1.00 0.00 N ATOM 672 CA PRO B 29 3.853 1.645 -4.791 1.00 0.00 C ATOM 673 C PRO B 29 5.013 0.930 -5.478 1.00 0.00 C ATOM 674 O PRO B 29 6.146 1.412 -5.465 1.00 0.00 O ATOM 675 CB PRO B 29 4.096 3.153 -4.737 1.00 0.00 C ATOM 676 CG PRO B 29 4.750 3.406 -3.407 1.00 0.00 C ATOM 677 CD PRO B 29 4.554 2.165 -2.562 1.00 0.00 C ATOM 0 HA PRO B 29 2.973 1.355 -5.365 1.00 0.00 H new ATOM 0 HB2 PRO B 29 4.736 3.477 -5.557 1.00 0.00 H new ATOM 0 HB3 PRO B 29 3.160 3.705 -4.826 1.00 0.00 H new ATOM 0 HG2 PRO B 29 5.811 3.619 -3.536 1.00 0.00 H new ATOM 0 HG3 PRO B 29 4.307 4.275 -2.921 1.00 0.00 H new ATOM 0 HD2 PRO B 29 5.507 1.701 -2.307 1.00 0.00 H new ATOM 0 HD3 PRO B 29 4.051 2.397 -1.623 1.00 0.00 H new ATOM 685 N LEU B 30 4.723 -0.224 -6.070 1.00 0.00 N ATOM 686 CA LEU B 30 5.732 -1.013 -6.752 1.00 0.00 C ATOM 687 C LEU B 30 6.535 -0.161 -7.732 1.00 0.00 C ATOM 688 O LEU B 30 6.124 0.943 -8.090 1.00 0.00 O ATOM 689 CB LEU B 30 5.081 -2.187 -7.488 1.00 0.00 C ATOM 690 CG LEU B 30 5.649 -3.566 -7.138 1.00 0.00 C ATOM 691 CD1 LEU B 30 4.714 -4.306 -6.194 1.00 0.00 C ATOM 692 CD2 LEU B 30 5.890 -4.381 -8.400 1.00 0.00 C ATOM 0 H LEU B 30 3.789 -0.633 -6.089 1.00 0.00 H new ATOM 0 HA LEU B 30 6.418 -1.400 -5.999 1.00 0.00 H new ATOM 0 HB2 LEU B 30 4.013 -2.185 -7.271 1.00 0.00 H new ATOM 0 HB3 LEU B 30 5.188 -2.028 -8.561 1.00 0.00 H new ATOM 0 HG LEU B 30 6.605 -3.425 -6.633 1.00 0.00 H new ATOM 0 HD11 LEU B 30 5.135 -5.283 -5.957 1.00 0.00 H new ATOM 0 HD12 LEU B 30 4.594 -3.731 -5.276 1.00 0.00 H new ATOM 0 HD13 LEU B 30 3.743 -4.435 -6.671 1.00 0.00 H new ATOM 0 HD21 LEU B 30 6.293 -5.357 -8.131 1.00 0.00 H new ATOM 0 HD22 LEU B 30 4.949 -4.512 -8.934 1.00 0.00 H new ATOM 0 HD23 LEU B 30 6.601 -3.859 -9.040 1.00 0.00 H new ATOM 704 N ASP B 31 7.679 -0.682 -8.161 1.00 0.00 N ATOM 705 CA ASP B 31 8.540 0.029 -9.098 1.00 0.00 C ATOM 706 C ASP B 31 8.784 -0.804 -10.351 1.00 0.00 C ATOM 707 O ASP B 31 8.329 -1.942 -10.451 1.00 0.00 O ATOM 708 CB ASP B 31 9.875 0.376 -8.434 1.00 0.00 C ATOM 709 CG ASP B 31 10.622 -0.855 -7.959 1.00 0.00 C ATOM 710 OD1 ASP B 31 10.281 -1.374 -6.875 1.00 0.00 O ATOM 711 OD2 ASP B 31 11.546 -1.301 -8.671 1.00 0.00 O ATOM 0 H ASP B 31 8.032 -1.595 -7.874 1.00 0.00 H new ATOM 0 HA ASP B 31 8.036 0.951 -9.389 1.00 0.00 H new ATOM 0 HB2 ASP B 31 10.497 0.925 -9.141 1.00 0.00 H new ATOM 0 HB3 ASP B 31 9.695 1.038 -7.587 1.00 0.00 H new ATOM 716 N GLY B 32 9.507 -0.229 -11.307 1.00 0.00 N ATOM 717 CA GLY B 32 9.799 -0.933 -12.542 1.00 0.00 C ATOM 718 C GLY B 32 10.550 -2.228 -12.306 1.00 0.00 C ATOM 719 O GLY B 32 11.661 -2.223 -11.776 1.00 0.00 O ATOM 0 H GLY B 32 9.896 0.712 -11.248 1.00 0.00 H new ATOM 0 HA2 GLY B 32 8.866 -1.147 -13.064 1.00 0.00 H new ATOM 0 HA3 GLY B 32 10.388 -0.288 -13.194 1.00 0.00 H new ATOM 723 N LYS B 33 9.941 -3.342 -12.701 1.00 0.00 N ATOM 724 CA LYS B 33 10.559 -4.653 -12.530 1.00 0.00 C ATOM 725 C LYS B 33 11.313 -5.067 -13.790 1.00 0.00 C ATOM 726 O LYS B 33 11.126 -4.484 -14.857 1.00 0.00 O ATOM 727 CB LYS B 33 9.498 -5.699 -12.189 1.00 0.00 C ATOM 728 CG LYS B 33 8.540 -5.259 -11.093 1.00 0.00 C ATOM 729 CD LYS B 33 7.890 -6.451 -10.409 1.00 0.00 C ATOM 730 CE LYS B 33 8.822 -7.087 -9.390 1.00 0.00 C ATOM 731 NZ LYS B 33 9.447 -8.334 -9.910 1.00 0.00 N ATOM 0 H LYS B 33 9.021 -3.363 -13.141 1.00 0.00 H new ATOM 0 HA LYS B 33 11.271 -4.587 -11.707 1.00 0.00 H new ATOM 0 HB2 LYS B 33 8.927 -5.931 -13.088 1.00 0.00 H new ATOM 0 HB3 LYS B 33 9.993 -6.619 -11.879 1.00 0.00 H new ATOM 0 HG2 LYS B 33 9.078 -4.664 -10.355 1.00 0.00 H new ATOM 0 HG3 LYS B 33 7.769 -4.617 -11.519 1.00 0.00 H new ATOM 0 HD2 LYS B 33 6.972 -6.132 -9.915 1.00 0.00 H new ATOM 0 HD3 LYS B 33 7.608 -7.192 -11.157 1.00 0.00 H new ATOM 0 HE2 LYS B 33 9.602 -6.376 -9.119 1.00 0.00 H new ATOM 0 HE3 LYS B 33 8.265 -7.312 -8.480 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 9.055 -9.155 -9.406 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 9.248 -8.424 -10.927 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 10.475 -8.295 -9.761 1.00 0.00 H new ATOM 745 N GLY B 34 12.166 -6.077 -13.657 1.00 0.00 N ATOM 746 CA GLY B 34 12.937 -6.552 -14.792 1.00 0.00 C ATOM 747 C GLY B 34 14.403 -6.177 -14.694 1.00 0.00 C ATOM 748 O GLY B 34 14.982 -5.654 -15.645 1.00 0.00 O ATOM 0 H GLY B 34 12.338 -6.575 -12.784 1.00 0.00 H new ATOM 0 HA2 GLY B 34 12.846 -7.636 -14.861 1.00 0.00 H new ATOM 0 HA3 GLY B 34 12.520 -6.138 -15.710 1.00 0.00 H new ATOM 752 N THR B 35 15.004 -6.446 -13.539 1.00 0.00 N ATOM 753 CA THR B 35 16.410 -6.133 -13.318 1.00 0.00 C ATOM 754 C THR B 35 16.865 -6.613 -11.943 1.00 0.00 C ATOM 755 O THR B 35 16.758 -5.828 -10.979 1.00 0.00 O ATOM 756 CB THR B 35 16.647 -4.629 -13.450 1.00 0.00 C ATOM 757 OG1 THR B 35 17.965 -4.291 -13.056 1.00 0.00 O ATOM 758 CG2 THR B 35 15.692 -3.797 -12.621 1.00 0.00 C ATOM 759 OXT THR B 35 17.324 -7.771 -11.844 1.00 0.00 O ATOM 0 H THR B 35 14.538 -6.880 -12.742 1.00 0.00 H new ATOM 0 HA THR B 35 16.995 -6.653 -14.076 1.00 0.00 H new ATOM 0 HB THR B 35 16.480 -4.403 -14.503 1.00 0.00 H new ATOM 0 HG1 THR B 35 18.097 -3.324 -13.149 1.00 0.00 H new ATOM 0 HG21 THR B 35 15.915 -2.739 -12.761 1.00 0.00 H new ATOM 0 HG22 THR B 35 14.668 -3.996 -12.936 1.00 0.00 H new ATOM 0 HG23 THR B 35 15.804 -4.055 -11.568 1.00 0.00 H new TER 767 THR B 35 HETATM 768 ZN ZN A 207 -5.741 -4.253 -0.394 1.00 0.00 ZN