USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=6 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= -1.76 K(o=-1.8,f=-0.68) USER MOD Single : A 195 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 202 LYS NZ :NH3+ -156:sc= -0.0165 (180deg=-0.305) USER MOD Single : A 203 SER OG : rot 180:sc= -0.176 USER MOD Single : A 206 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0209) USER MOD Single : B 7 SER OG : rot -53:sc= 0.104 USER MOD Single : B 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 ASN : amide:sc= -0.283 X(o=-0.28,f=-0.063) USER MOD Single : B 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 THR OG1 : rot -80:sc= 0.0272 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 188 12.649 -17.196 -3.429 1.00 0.00 N ATOM 2 CA ARG A 188 12.040 -15.943 -3.946 1.00 0.00 C ATOM 3 C ARG A 188 10.538 -16.105 -4.157 1.00 0.00 C ATOM 4 O ARG A 188 10.101 -16.780 -5.088 1.00 0.00 O ATOM 5 CB ARG A 188 12.722 -15.578 -5.266 1.00 0.00 C ATOM 6 CG ARG A 188 12.177 -14.309 -5.903 1.00 0.00 C ATOM 7 CD ARG A 188 13.294 -13.416 -6.420 1.00 0.00 C ATOM 8 NE ARG A 188 13.057 -12.984 -7.795 1.00 0.00 N ATOM 9 CZ ARG A 188 13.682 -11.958 -8.368 1.00 0.00 C ATOM 10 NH1 ARG A 188 14.580 -11.255 -7.688 1.00 0.00 N ATOM 11 NH2 ARG A 188 13.408 -11.633 -9.624 1.00 0.00 N ATOM 0 HA ARG A 188 12.184 -15.147 -3.215 1.00 0.00 H new ATOM 0 HB2 ARG A 188 13.791 -15.457 -5.091 1.00 0.00 H new ATOM 0 HB3 ARG A 188 12.605 -16.405 -5.966 1.00 0.00 H new ATOM 0 HG2 ARG A 188 11.511 -14.571 -6.725 1.00 0.00 H new ATOM 0 HG3 ARG A 188 11.582 -13.761 -5.172 1.00 0.00 H new ATOM 0 HD2 ARG A 188 13.386 -12.541 -5.776 1.00 0.00 H new ATOM 0 HD3 ARG A 188 14.241 -13.953 -6.367 1.00 0.00 H new ATOM 0 HE ARG A 188 12.372 -13.499 -8.349 1.00 0.00 H new ATOM 0 HH11 ARG A 188 14.794 -11.500 -6.721 1.00 0.00 H new ATOM 0 HH12 ARG A 188 15.056 -10.470 -8.132 1.00 0.00 H new ATOM 0 HH21 ARG A 188 12.718 -12.169 -10.151 1.00 0.00 H new ATOM 0 HH22 ARG A 188 13.887 -10.847 -10.063 1.00 0.00 H new ATOM 27 N ASN A 189 9.753 -15.480 -3.284 1.00 0.00 N ATOM 28 CA ASN A 189 8.299 -15.555 -3.374 1.00 0.00 C ATOM 29 C ASN A 189 7.671 -14.179 -3.174 1.00 0.00 C ATOM 30 O ASN A 189 8.306 -13.267 -2.646 1.00 0.00 O ATOM 31 CB ASN A 189 7.753 -16.535 -2.334 1.00 0.00 C ATOM 32 CG ASN A 189 8.478 -17.866 -2.356 1.00 0.00 C ATOM 33 OD1 ASN A 189 8.799 -18.427 -1.309 1.00 0.00 O ATOM 34 ND2 ASN A 189 8.739 -18.378 -3.553 1.00 0.00 N ATOM 0 H ASN A 189 10.099 -14.917 -2.507 1.00 0.00 H new ATOM 0 HA ASN A 189 8.038 -15.912 -4.370 1.00 0.00 H new ATOM 0 HB2 ASN A 189 7.841 -16.093 -1.341 1.00 0.00 H new ATOM 0 HB3 ASN A 189 6.691 -16.700 -2.517 1.00 0.00 H new ATOM 0 HD21 ASN A 189 9.224 -19.272 -3.631 1.00 0.00 H new ATOM 0 HD22 ASN A 189 8.454 -17.878 -4.395 1.00 0.00 H new ATOM 41 N ARG A 190 6.419 -14.040 -3.598 1.00 0.00 N ATOM 42 CA ARG A 190 5.704 -12.777 -3.464 1.00 0.00 C ATOM 43 C ARG A 190 5.549 -12.392 -1.995 1.00 0.00 C ATOM 44 O ARG A 190 5.558 -13.251 -1.115 1.00 0.00 O ATOM 45 CB ARG A 190 4.328 -12.875 -4.125 1.00 0.00 C ATOM 46 CG ARG A 190 3.572 -11.555 -4.163 1.00 0.00 C ATOM 47 CD ARG A 190 4.342 -10.490 -4.928 1.00 0.00 C ATOM 48 NE ARG A 190 3.500 -9.801 -5.906 1.00 0.00 N ATOM 49 CZ ARG A 190 3.065 -10.359 -7.032 1.00 0.00 C ATOM 50 NH1 ARG A 190 3.391 -11.611 -7.331 1.00 0.00 N ATOM 51 NH2 ARG A 190 2.300 -9.665 -7.864 1.00 0.00 N ATOM 0 H ARG A 190 5.879 -14.786 -4.037 1.00 0.00 H new ATOM 0 HA ARG A 190 6.286 -12.003 -3.964 1.00 0.00 H new ATOM 0 HB2 ARG A 190 4.450 -13.243 -5.144 1.00 0.00 H new ATOM 0 HB3 ARG A 190 3.729 -13.611 -3.589 1.00 0.00 H new ATOM 0 HG2 ARG A 190 2.598 -11.706 -4.629 1.00 0.00 H new ATOM 0 HG3 ARG A 190 3.388 -11.211 -3.145 1.00 0.00 H new ATOM 0 HD2 ARG A 190 4.751 -9.763 -4.226 1.00 0.00 H new ATOM 0 HD3 ARG A 190 5.188 -10.951 -5.438 1.00 0.00 H new ATOM 0 HE ARG A 190 3.231 -8.836 -5.713 1.00 0.00 H new ATOM 0 HH11 ARG A 190 3.978 -12.151 -6.695 1.00 0.00 H new ATOM 0 HH12 ARG A 190 3.054 -12.033 -8.196 1.00 0.00 H new ATOM 0 HH21 ARG A 190 2.045 -8.703 -7.640 1.00 0.00 H new ATOM 0 HH22 ARG A 190 1.967 -10.093 -8.728 1.00 0.00 H new ATOM 65 N ARG A 191 5.406 -11.096 -1.740 1.00 0.00 N ATOM 66 CA ARG A 191 5.249 -10.598 -0.382 1.00 0.00 C ATOM 67 C ARG A 191 3.776 -10.514 0.002 1.00 0.00 C ATOM 68 O ARG A 191 2.916 -10.271 -0.845 1.00 0.00 O ATOM 69 CB ARG A 191 5.899 -9.231 -0.223 1.00 0.00 C ATOM 70 CG ARG A 191 7.151 -9.024 -1.065 1.00 0.00 C ATOM 71 CD ARG A 191 7.306 -7.570 -1.478 1.00 0.00 C ATOM 72 NE ARG A 191 8.700 -7.219 -1.736 1.00 0.00 N ATOM 73 CZ ARG A 191 9.080 -6.131 -2.402 1.00 0.00 C ATOM 74 NH1 ARG A 191 8.173 -5.287 -2.881 1.00 0.00 N ATOM 75 NH2 ARG A 191 10.370 -5.885 -2.590 1.00 0.00 N ATOM 0 H ARG A 191 5.396 -10.372 -2.458 1.00 0.00 H new ATOM 0 HA ARG A 191 5.747 -11.303 0.284 1.00 0.00 H new ATOM 0 HB2 ARG A 191 5.170 -8.464 -0.484 1.00 0.00 H new ATOM 0 HB3 ARG A 191 6.154 -9.084 0.826 1.00 0.00 H new ATOM 0 HG2 ARG A 191 8.028 -9.339 -0.499 1.00 0.00 H new ATOM 0 HG3 ARG A 191 7.102 -9.653 -1.954 1.00 0.00 H new ATOM 0 HD2 ARG A 191 6.713 -7.383 -2.373 1.00 0.00 H new ATOM 0 HD3 ARG A 191 6.910 -6.926 -0.693 1.00 0.00 H new ATOM 0 HE ARG A 191 9.425 -7.845 -1.385 1.00 0.00 H new ATOM 0 HH11 ARG A 191 7.180 -5.471 -2.739 1.00 0.00 H new ATOM 0 HH12 ARG A 191 8.470 -4.455 -3.391 1.00 0.00 H new ATOM 0 HH21 ARG A 191 11.071 -6.530 -2.224 1.00 0.00 H new ATOM 0 HH22 ARG A 191 10.661 -5.051 -3.100 1.00 0.00 H new ATOM 89 N ARG A 192 3.490 -10.718 1.284 1.00 0.00 N ATOM 90 CA ARG A 192 2.121 -10.665 1.779 1.00 0.00 C ATOM 91 C ARG A 192 1.632 -9.224 1.880 1.00 0.00 C ATOM 92 O ARG A 192 1.355 -8.725 2.971 1.00 0.00 O ATOM 93 CB ARG A 192 2.024 -11.346 3.139 1.00 0.00 C ATOM 94 CG ARG A 192 0.671 -11.986 3.409 1.00 0.00 C ATOM 95 CD ARG A 192 0.478 -12.282 4.889 1.00 0.00 C ATOM 96 NE ARG A 192 -0.678 -11.579 5.440 1.00 0.00 N ATOM 97 CZ ARG A 192 -0.884 -11.401 6.743 1.00 0.00 C ATOM 98 NH1 ARG A 192 -0.017 -11.872 7.631 1.00 0.00 N ATOM 99 NH2 ARG A 192 -1.960 -10.747 7.159 1.00 0.00 N ATOM 0 H ARG A 192 4.189 -10.922 1.998 1.00 0.00 H new ATOM 0 HA ARG A 192 1.484 -11.194 1.070 1.00 0.00 H new ATOM 0 HB2 ARG A 192 2.798 -12.111 3.208 1.00 0.00 H new ATOM 0 HB3 ARG A 192 2.231 -10.612 3.918 1.00 0.00 H new ATOM 0 HG2 ARG A 192 -0.122 -11.322 3.063 1.00 0.00 H new ATOM 0 HG3 ARG A 192 0.584 -12.910 2.838 1.00 0.00 H new ATOM 0 HD2 ARG A 192 0.351 -13.355 5.031 1.00 0.00 H new ATOM 0 HD3 ARG A 192 1.374 -11.992 5.437 1.00 0.00 H new ATOM 0 HE ARG A 192 -1.367 -11.203 4.789 1.00 0.00 H new ATOM 0 HH11 ARG A 192 0.813 -12.374 7.316 1.00 0.00 H new ATOM 0 HH12 ARG A 192 -0.181 -11.732 8.628 1.00 0.00 H new ATOM 0 HH21 ARG A 192 -2.628 -10.381 6.481 1.00 0.00 H new ATOM 0 HH22 ARG A 192 -2.119 -10.610 8.157 1.00 0.00 H new ATOM 113 N VAL A 193 1.528 -8.557 0.735 1.00 0.00 N ATOM 114 CA VAL A 193 1.074 -7.173 0.695 1.00 0.00 C ATOM 115 C VAL A 193 -0.255 -7.047 -0.046 1.00 0.00 C ATOM 116 O VAL A 193 -0.843 -8.043 -0.466 1.00 0.00 O ATOM 117 CB VAL A 193 2.117 -6.256 0.026 1.00 0.00 C ATOM 118 CG1 VAL A 193 3.365 -6.146 0.889 1.00 0.00 C ATOM 119 CG2 VAL A 193 2.465 -6.767 -1.364 1.00 0.00 C ATOM 0 H VAL A 193 1.752 -8.954 -0.178 1.00 0.00 H new ATOM 0 HA VAL A 193 0.937 -6.857 1.729 1.00 0.00 H new ATOM 0 HB VAL A 193 1.685 -5.260 -0.076 1.00 0.00 H new ATOM 0 HG11 VAL A 193 4.089 -5.495 0.400 1.00 0.00 H new ATOM 0 HG12 VAL A 193 3.100 -5.729 1.861 1.00 0.00 H new ATOM 0 HG13 VAL A 193 3.801 -7.136 1.026 1.00 0.00 H new ATOM 0 HG21 VAL A 193 3.203 -6.107 -1.820 1.00 0.00 H new ATOM 0 HG22 VAL A 193 2.876 -7.774 -1.289 1.00 0.00 H new ATOM 0 HG23 VAL A 193 1.566 -6.787 -1.980 1.00 0.00 H new ATOM 129 N CYS A 194 -0.732 -5.813 -0.168 1.00 0.00 N ATOM 130 CA CYS A 194 -2.008 -5.522 -0.817 1.00 0.00 C ATOM 131 C CYS A 194 -2.184 -6.244 -2.148 1.00 0.00 C ATOM 132 O CYS A 194 -1.391 -6.076 -3.076 1.00 0.00 O ATOM 133 CB CYS A 194 -2.148 -4.018 -1.028 1.00 0.00 C ATOM 134 SG CYS A 194 -3.683 -3.526 -1.875 1.00 0.00 S ATOM 0 H CYS A 194 -0.246 -4.986 0.179 1.00 0.00 H new ATOM 0 HA CYS A 194 -2.789 -5.889 -0.152 1.00 0.00 H new ATOM 0 HB2 CYS A 194 -2.105 -3.520 -0.059 1.00 0.00 H new ATOM 0 HB3 CYS A 194 -1.296 -3.662 -1.607 1.00 0.00 H new ATOM 139 N LYS A 195 -3.275 -6.998 -2.244 1.00 0.00 N ATOM 140 CA LYS A 195 -3.630 -7.697 -3.459 1.00 0.00 C ATOM 141 C LYS A 195 -5.100 -7.441 -3.749 1.00 0.00 C ATOM 142 O LYS A 195 -5.939 -8.336 -3.645 1.00 0.00 O ATOM 143 CB LYS A 195 -3.368 -9.193 -3.334 1.00 0.00 C ATOM 144 CG LYS A 195 -2.226 -9.544 -2.395 1.00 0.00 C ATOM 145 CD LYS A 195 -1.992 -11.046 -2.336 1.00 0.00 C ATOM 146 CE LYS A 195 -0.879 -11.477 -3.279 1.00 0.00 C ATOM 147 NZ LYS A 195 0.199 -12.216 -2.565 1.00 0.00 N ATOM 0 H LYS A 195 -3.933 -7.137 -1.477 1.00 0.00 H new ATOM 0 HA LYS A 195 -3.014 -7.327 -4.279 1.00 0.00 H new ATOM 0 HB2 LYS A 195 -4.277 -9.683 -2.983 1.00 0.00 H new ATOM 0 HB3 LYS A 195 -3.149 -9.597 -4.322 1.00 0.00 H new ATOM 0 HG2 LYS A 195 -1.315 -9.046 -2.727 1.00 0.00 H new ATOM 0 HG3 LYS A 195 -2.448 -9.170 -1.395 1.00 0.00 H new ATOM 0 HD2 LYS A 195 -1.738 -11.335 -1.316 1.00 0.00 H new ATOM 0 HD3 LYS A 195 -2.913 -11.569 -2.596 1.00 0.00 H new ATOM 0 HE2 LYS A 195 -1.293 -12.109 -4.065 1.00 0.00 H new ATOM 0 HE3 LYS A 195 -0.456 -10.599 -3.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 195 0.938 -12.492 -3.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 195 0.612 -11.605 -1.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 195 -0.199 -13.068 -2.121 1.00 0.00 H new ATOM 161 N CYS A 196 -5.394 -6.205 -4.106 1.00 0.00 N ATOM 162 CA CYS A 196 -6.762 -5.792 -4.411 1.00 0.00 C ATOM 163 C CYS A 196 -6.990 -5.725 -5.921 1.00 0.00 C ATOM 164 O CYS A 196 -6.158 -5.195 -6.657 1.00 0.00 O ATOM 165 CB CYS A 196 -7.068 -4.426 -3.787 1.00 0.00 C ATOM 166 SG CYS A 196 -7.300 -4.454 -1.976 1.00 0.00 S ATOM 0 H CYS A 196 -4.702 -5.461 -4.194 1.00 0.00 H new ATOM 0 HA CYS A 196 -7.434 -6.538 -3.986 1.00 0.00 H new ATOM 0 HB2 CYS A 196 -6.254 -3.741 -4.026 1.00 0.00 H new ATOM 0 HB3 CYS A 196 -7.969 -4.023 -4.250 1.00 0.00 H new ATOM 171 N PRO A 197 -8.130 -6.255 -6.404 1.00 0.00 N ATOM 172 CA PRO A 197 -8.466 -6.244 -7.824 1.00 0.00 C ATOM 173 C PRO A 197 -9.191 -4.965 -8.236 1.00 0.00 C ATOM 174 O PRO A 197 -9.963 -4.954 -9.195 1.00 0.00 O ATOM 175 CB PRO A 197 -9.390 -7.449 -7.951 1.00 0.00 C ATOM 176 CG PRO A 197 -10.110 -7.506 -6.643 1.00 0.00 C ATOM 177 CD PRO A 197 -9.186 -6.905 -5.606 1.00 0.00 C ATOM 0 HA PRO A 197 -7.586 -6.285 -8.465 1.00 0.00 H new ATOM 0 HB2 PRO A 197 -10.085 -7.331 -8.782 1.00 0.00 H new ATOM 0 HB3 PRO A 197 -8.827 -8.364 -8.134 1.00 0.00 H new ATOM 0 HG2 PRO A 197 -11.047 -6.951 -6.693 1.00 0.00 H new ATOM 0 HG3 PRO A 197 -10.362 -8.535 -6.386 1.00 0.00 H new ATOM 0 HD2 PRO A 197 -9.708 -6.187 -4.974 1.00 0.00 H new ATOM 0 HD3 PRO A 197 -8.775 -7.669 -4.947 1.00 0.00 H new ATOM 185 N ARG A 198 -8.932 -3.894 -7.497 1.00 0.00 N ATOM 186 CA ARG A 198 -9.545 -2.595 -7.754 1.00 0.00 C ATOM 187 C ARG A 198 -9.306 -1.664 -6.569 1.00 0.00 C ATOM 188 O ARG A 198 -10.209 -1.416 -5.769 1.00 0.00 O ATOM 189 CB ARG A 198 -11.049 -2.741 -8.011 1.00 0.00 C ATOM 190 CG ARG A 198 -11.730 -3.741 -7.091 1.00 0.00 C ATOM 191 CD ARG A 198 -13.070 -3.223 -6.593 1.00 0.00 C ATOM 192 NE ARG A 198 -13.779 -4.222 -5.795 1.00 0.00 N ATOM 193 CZ ARG A 198 -13.447 -4.546 -4.548 1.00 0.00 C ATOM 194 NH1 ARG A 198 -12.422 -3.952 -3.950 1.00 0.00 N ATOM 195 NH2 ARG A 198 -14.142 -5.467 -3.895 1.00 0.00 N ATOM 0 H ARG A 198 -8.292 -3.900 -6.703 1.00 0.00 H new ATOM 0 HA ARG A 198 -9.086 -2.169 -8.646 1.00 0.00 H new ATOM 0 HB2 ARG A 198 -11.525 -1.768 -7.892 1.00 0.00 H new ATOM 0 HB3 ARG A 198 -11.204 -3.048 -9.045 1.00 0.00 H new ATOM 0 HG2 ARG A 198 -11.878 -4.682 -7.621 1.00 0.00 H new ATOM 0 HG3 ARG A 198 -11.082 -3.953 -6.240 1.00 0.00 H new ATOM 0 HD2 ARG A 198 -12.912 -2.326 -5.995 1.00 0.00 H new ATOM 0 HD3 ARG A 198 -13.687 -2.934 -7.444 1.00 0.00 H new ATOM 0 HE ARG A 198 -14.575 -4.699 -6.219 1.00 0.00 H new ATOM 0 HH11 ARG A 198 -11.883 -3.242 -4.447 1.00 0.00 H new ATOM 0 HH12 ARG A 198 -12.173 -4.205 -2.994 1.00 0.00 H new ATOM 0 HH21 ARG A 198 -14.931 -5.927 -4.349 1.00 0.00 H new ATOM 0 HH22 ARG A 198 -13.887 -5.715 -2.939 1.00 0.00 H new ATOM 209 N PRO A 199 -8.075 -1.144 -6.437 1.00 0.00 N ATOM 210 CA PRO A 199 -7.709 -0.247 -5.337 1.00 0.00 C ATOM 211 C PRO A 199 -8.665 0.934 -5.209 1.00 0.00 C ATOM 212 O PRO A 199 -9.012 1.575 -6.201 1.00 0.00 O ATOM 213 CB PRO A 199 -6.308 0.234 -5.723 1.00 0.00 C ATOM 214 CG PRO A 199 -5.764 -0.849 -6.589 1.00 0.00 C ATOM 215 CD PRO A 199 -6.942 -1.397 -7.346 1.00 0.00 C ATOM 0 HA PRO A 199 -7.750 -0.749 -4.370 1.00 0.00 H new ATOM 0 HB2 PRO A 199 -6.348 1.185 -6.255 1.00 0.00 H new ATOM 0 HB3 PRO A 199 -5.685 0.388 -4.842 1.00 0.00 H new ATOM 0 HG2 PRO A 199 -5.007 -0.462 -7.271 1.00 0.00 H new ATOM 0 HG3 PRO A 199 -5.287 -1.626 -5.991 1.00 0.00 H new ATOM 0 HD2 PRO A 199 -7.074 -0.894 -8.304 1.00 0.00 H new ATOM 0 HD3 PRO A 199 -6.825 -2.460 -7.558 1.00 0.00 H new ATOM 223 N VAL A 200 -9.091 1.214 -3.981 1.00 0.00 N ATOM 224 CA VAL A 200 -10.009 2.316 -3.724 1.00 0.00 C ATOM 225 C VAL A 200 -9.316 3.664 -3.903 1.00 0.00 C ATOM 226 O VAL A 200 -8.123 3.800 -3.631 1.00 0.00 O ATOM 227 CB VAL A 200 -10.601 2.235 -2.302 1.00 0.00 C ATOM 228 CG1 VAL A 200 -9.501 2.337 -1.254 1.00 0.00 C ATOM 229 CG2 VAL A 200 -11.648 3.318 -2.095 1.00 0.00 C ATOM 0 H VAL A 200 -8.815 0.692 -3.149 1.00 0.00 H new ATOM 0 HA VAL A 200 -10.818 2.230 -4.450 1.00 0.00 H new ATOM 0 HB VAL A 200 -11.087 1.266 -2.188 1.00 0.00 H new ATOM 0 HG11 VAL A 200 -9.940 2.278 -0.258 1.00 0.00 H new ATOM 0 HG12 VAL A 200 -8.794 1.518 -1.388 1.00 0.00 H new ATOM 0 HG13 VAL A 200 -8.980 3.288 -1.365 1.00 0.00 H new ATOM 0 HG21 VAL A 200 -12.054 3.244 -1.086 1.00 0.00 H new ATOM 0 HG22 VAL A 200 -11.190 4.298 -2.231 1.00 0.00 H new ATOM 0 HG23 VAL A 200 -12.452 3.190 -2.820 1.00 0.00 H new ATOM 239 N VAL A 201 -10.072 4.655 -4.363 1.00 0.00 N ATOM 240 CA VAL A 201 -9.530 5.992 -4.580 1.00 0.00 C ATOM 241 C VAL A 201 -9.582 6.820 -3.300 1.00 0.00 C ATOM 242 O VAL A 201 -10.544 6.741 -2.535 1.00 0.00 O ATOM 243 CB VAL A 201 -10.296 6.736 -5.689 1.00 0.00 C ATOM 244 CG1 VAL A 201 -9.582 8.028 -6.058 1.00 0.00 C ATOM 245 CG2 VAL A 201 -10.467 5.846 -6.911 1.00 0.00 C ATOM 0 H VAL A 201 -11.061 4.558 -4.593 1.00 0.00 H new ATOM 0 HA VAL A 201 -8.492 5.866 -4.888 1.00 0.00 H new ATOM 0 HB VAL A 201 -11.287 6.990 -5.312 1.00 0.00 H new ATOM 0 HG11 VAL A 201 -10.138 8.540 -6.843 1.00 0.00 H new ATOM 0 HG12 VAL A 201 -9.518 8.672 -5.181 1.00 0.00 H new ATOM 0 HG13 VAL A 201 -8.578 7.800 -6.415 1.00 0.00 H new ATOM 0 HG21 VAL A 201 -11.011 6.390 -7.684 1.00 0.00 H new ATOM 0 HG22 VAL A 201 -9.487 5.558 -7.291 1.00 0.00 H new ATOM 0 HG23 VAL A 201 -11.026 4.952 -6.635 1.00 0.00 H new ATOM 255 N LYS A 202 -8.541 7.615 -3.074 1.00 0.00 N ATOM 256 CA LYS A 202 -8.467 8.460 -1.888 1.00 0.00 C ATOM 257 C LYS A 202 -8.260 9.922 -2.274 1.00 0.00 C ATOM 258 O LYS A 202 -7.471 10.232 -3.167 1.00 0.00 O ATOM 259 CB LYS A 202 -7.331 7.996 -0.975 1.00 0.00 C ATOM 260 CG LYS A 202 -7.737 6.899 -0.005 1.00 0.00 C ATOM 261 CD LYS A 202 -6.897 6.933 1.262 1.00 0.00 C ATOM 262 CE LYS A 202 -6.451 5.540 1.675 1.00 0.00 C ATOM 263 NZ LYS A 202 -7.596 4.592 1.765 1.00 0.00 N ATOM 0 H LYS A 202 -7.737 7.692 -3.697 1.00 0.00 H new ATOM 0 HA LYS A 202 -9.412 8.374 -1.352 1.00 0.00 H new ATOM 0 HB2 LYS A 202 -6.505 7.638 -1.590 1.00 0.00 H new ATOM 0 HB3 LYS A 202 -6.959 8.850 -0.409 1.00 0.00 H new ATOM 0 HG2 LYS A 202 -8.790 7.012 0.253 1.00 0.00 H new ATOM 0 HG3 LYS A 202 -7.629 5.928 -0.488 1.00 0.00 H new ATOM 0 HD2 LYS A 202 -6.022 7.563 1.102 1.00 0.00 H new ATOM 0 HD3 LYS A 202 -7.473 7.386 2.069 1.00 0.00 H new ATOM 0 HE2 LYS A 202 -5.724 5.164 0.955 1.00 0.00 H new ATOM 0 HE3 LYS A 202 -5.946 5.592 2.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 202 -7.352 3.813 2.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 202 -8.433 5.092 2.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 202 -7.803 4.208 0.821 1.00 0.00 H new ATOM 277 N SER A 203 -8.973 10.815 -1.596 1.00 0.00 N ATOM 278 CA SER A 203 -8.866 12.244 -1.869 1.00 0.00 C ATOM 279 C SER A 203 -7.545 12.800 -1.347 1.00 0.00 C ATOM 280 O SER A 203 -6.848 12.148 -0.571 1.00 0.00 O ATOM 281 CB SER A 203 -10.036 12.995 -1.230 1.00 0.00 C ATOM 282 OG SER A 203 -9.929 14.390 -1.454 1.00 0.00 O ATOM 0 H SER A 203 -9.631 10.575 -0.854 1.00 0.00 H new ATOM 0 HA SER A 203 -8.898 12.386 -2.949 1.00 0.00 H new ATOM 0 HB2 SER A 203 -10.976 12.628 -1.642 1.00 0.00 H new ATOM 0 HB3 SER A 203 -10.058 12.796 -0.159 1.00 0.00 H new ATOM 0 HG SER A 203 -10.689 14.847 -1.038 1.00 0.00 H new ATOM 288 N GLY A 204 -7.208 14.011 -1.781 1.00 0.00 N ATOM 289 CA GLY A 204 -5.972 14.637 -1.348 1.00 0.00 C ATOM 290 C GLY A 204 -6.214 15.866 -0.494 1.00 0.00 C ATOM 291 O GLY A 204 -7.170 15.915 0.280 1.00 0.00 O ATOM 0 H GLY A 204 -7.769 14.569 -2.424 1.00 0.00 H new ATOM 0 HA2 GLY A 204 -5.381 13.916 -0.783 1.00 0.00 H new ATOM 0 HA3 GLY A 204 -5.384 14.916 -2.222 1.00 0.00 H new ATOM 295 N ASP A 205 -5.347 16.863 -0.635 1.00 0.00 N ATOM 296 CA ASP A 205 -5.472 18.099 0.129 1.00 0.00 C ATOM 297 C ASP A 205 -6.493 19.032 -0.512 1.00 0.00 C ATOM 298 O ASP A 205 -6.287 19.529 -1.620 1.00 0.00 O ATOM 299 CB ASP A 205 -4.116 18.800 0.231 1.00 0.00 C ATOM 300 CG ASP A 205 -4.078 19.829 1.345 1.00 0.00 C ATOM 301 OD1 ASP A 205 -5.150 20.138 1.905 1.00 0.00 O ATOM 302 OD2 ASP A 205 -2.974 20.325 1.655 1.00 0.00 O ATOM 0 H ASP A 205 -4.550 16.839 -1.271 1.00 0.00 H new ATOM 0 HA ASP A 205 -5.817 17.845 1.131 1.00 0.00 H new ATOM 0 HB2 ASP A 205 -3.338 18.056 0.401 1.00 0.00 H new ATOM 0 HB3 ASP A 205 -3.890 19.287 -0.717 1.00 0.00 H new ATOM 307 N LYS A 206 -7.597 19.266 0.191 1.00 0.00 N ATOM 308 CA LYS A 206 -8.651 20.139 -0.310 1.00 0.00 C ATOM 309 C LYS A 206 -9.437 20.758 0.841 1.00 0.00 C ATOM 310 O LYS A 206 -10.195 20.019 1.505 1.00 0.00 O ATOM 311 CB LYS A 206 -9.595 19.359 -1.226 1.00 0.00 C ATOM 312 CG LYS A 206 -10.662 20.223 -1.878 1.00 0.00 C ATOM 313 CD LYS A 206 -10.182 20.797 -3.202 1.00 0.00 C ATOM 314 CE LYS A 206 -11.192 21.772 -3.783 1.00 0.00 C ATOM 315 NZ LYS A 206 -11.190 23.073 -3.059 1.00 0.00 N ATOM 316 OXT LYS A 206 -9.288 21.977 1.071 1.00 0.00 O ATOM 0 H LYS A 206 -7.784 18.863 1.109 1.00 0.00 H new ATOM 0 HA LYS A 206 -8.184 20.942 -0.880 1.00 0.00 H new ATOM 0 HB2 LYS A 206 -9.010 18.869 -2.005 1.00 0.00 H new ATOM 0 HB3 LYS A 206 -10.080 18.572 -0.649 1.00 0.00 H new ATOM 0 HG2 LYS A 206 -11.562 19.630 -2.042 1.00 0.00 H new ATOM 0 HG3 LYS A 206 -10.935 21.036 -1.205 1.00 0.00 H new ATOM 0 HD2 LYS A 206 -9.228 21.303 -3.056 1.00 0.00 H new ATOM 0 HD3 LYS A 206 -10.008 19.987 -3.910 1.00 0.00 H new ATOM 0 HE2 LYS A 206 -10.967 21.942 -4.836 1.00 0.00 H new ATOM 0 HE3 LYS A 206 -12.188 21.333 -3.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 206 -11.831 23.738 -3.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 206 -11.511 22.926 -2.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 206 -10.227 23.465 -3.052 1.00 0.00 H new TER 330 LYS A 206 ATOM 331 N SER B 7 23.652 0.716 1.009 1.00 0.00 N ATOM 332 CA SER B 7 22.724 1.463 0.118 1.00 0.00 C ATOM 333 C SER B 7 21.343 1.600 0.750 1.00 0.00 C ATOM 334 O SER B 7 20.327 1.569 0.057 1.00 0.00 O ATOM 335 CB SER B 7 22.623 0.718 -1.214 1.00 0.00 C ATOM 336 OG SER B 7 22.101 1.557 -2.230 1.00 0.00 O ATOM 0 HA SER B 7 23.113 2.469 -0.041 1.00 0.00 H new ATOM 0 HB2 SER B 7 23.608 0.356 -1.507 1.00 0.00 H new ATOM 0 HB3 SER B 7 21.984 -0.157 -1.097 1.00 0.00 H new ATOM 0 HG SER B 7 21.256 1.950 -1.927 1.00 0.00 H new ATOM 344 N HIS B 8 21.314 1.750 2.072 1.00 0.00 N ATOM 345 CA HIS B 8 20.057 1.893 2.798 1.00 0.00 C ATOM 346 C HIS B 8 19.210 0.625 2.675 1.00 0.00 C ATOM 347 O HIS B 8 19.015 0.108 1.575 1.00 0.00 O ATOM 348 CB HIS B 8 19.272 3.098 2.273 1.00 0.00 C ATOM 349 CG HIS B 8 19.430 4.328 3.110 1.00 0.00 C ATOM 350 ND1 HIS B 8 20.267 5.370 2.769 1.00 0.00 N ATOM 351 CD2 HIS B 8 18.852 4.682 4.283 1.00 0.00 C ATOM 352 CE1 HIS B 8 20.197 6.311 3.694 1.00 0.00 C ATOM 353 NE2 HIS B 8 19.344 5.919 4.622 1.00 0.00 N ATOM 0 H HIS B 8 22.146 1.776 2.661 1.00 0.00 H new ATOM 0 HA HIS B 8 20.291 2.053 3.851 1.00 0.00 H new ATOM 0 HB2 HIS B 8 19.597 3.317 1.256 1.00 0.00 H new ATOM 0 HB3 HIS B 8 18.215 2.838 2.221 1.00 0.00 H new ATOM 0 HD2 HIS B 8 18.138 4.100 4.847 1.00 0.00 H new ATOM 0 HE1 HIS B 8 20.744 7.242 3.691 1.00 0.00 H new ATOM 0 HE2 HIS B 8 19.091 6.449 5.456 1.00 0.00 H new ATOM 362 N PRO B 9 18.692 0.106 3.803 1.00 0.00 N ATOM 363 CA PRO B 9 17.863 -1.106 3.802 1.00 0.00 C ATOM 364 C PRO B 9 16.684 -0.998 2.841 1.00 0.00 C ATOM 365 O PRO B 9 16.125 0.081 2.647 1.00 0.00 O ATOM 366 CB PRO B 9 17.367 -1.203 5.248 1.00 0.00 C ATOM 367 CG PRO B 9 18.376 -0.458 6.048 1.00 0.00 C ATOM 368 CD PRO B 9 18.867 0.653 5.162 1.00 0.00 C ATOM 0 HA PRO B 9 18.422 -1.981 3.472 1.00 0.00 H new ATOM 0 HB2 PRO B 9 16.375 -0.765 5.356 1.00 0.00 H new ATOM 0 HB3 PRO B 9 17.294 -2.241 5.572 1.00 0.00 H new ATOM 0 HG2 PRO B 9 17.934 -0.062 6.962 1.00 0.00 H new ATOM 0 HG3 PRO B 9 19.196 -1.110 6.347 1.00 0.00 H new ATOM 0 HD2 PRO B 9 18.290 1.567 5.305 1.00 0.00 H new ATOM 0 HD3 PRO B 9 19.909 0.899 5.365 1.00 0.00 H new ATOM 376 N GLU B 10 16.309 -2.125 2.244 1.00 0.00 N ATOM 377 CA GLU B 10 15.194 -2.158 1.302 1.00 0.00 C ATOM 378 C GLU B 10 13.877 -2.459 2.015 1.00 0.00 C ATOM 379 O GLU B 10 13.042 -3.205 1.504 1.00 0.00 O ATOM 380 CB GLU B 10 15.450 -3.206 0.217 1.00 0.00 C ATOM 381 CG GLU B 10 14.911 -2.812 -1.148 1.00 0.00 C ATOM 382 CD GLU B 10 14.787 -3.994 -2.089 1.00 0.00 C ATOM 383 OE1 GLU B 10 13.741 -4.676 -2.050 1.00 0.00 O ATOM 384 OE2 GLU B 10 15.735 -4.240 -2.864 1.00 0.00 O ATOM 0 H GLU B 10 16.760 -3.027 2.395 1.00 0.00 H new ATOM 0 HA GLU B 10 15.115 -1.174 0.841 1.00 0.00 H new ATOM 0 HB2 GLU B 10 16.523 -3.381 0.138 1.00 0.00 H new ATOM 0 HB3 GLU B 10 14.995 -4.149 0.520 1.00 0.00 H new ATOM 0 HG2 GLU B 10 13.934 -2.344 -1.028 1.00 0.00 H new ATOM 0 HG3 GLU B 10 15.569 -2.066 -1.593 1.00 0.00 H new ATOM 391 N ASP B 11 13.696 -1.873 3.195 1.00 0.00 N ATOM 392 CA ASP B 11 12.479 -2.083 3.971 1.00 0.00 C ATOM 393 C ASP B 11 12.364 -1.053 5.091 1.00 0.00 C ATOM 394 O ASP B 11 13.310 -0.844 5.853 1.00 0.00 O ATOM 395 CB ASP B 11 12.458 -3.496 4.555 1.00 0.00 C ATOM 396 CG ASP B 11 13.606 -3.742 5.515 1.00 0.00 C ATOM 397 OD1 ASP B 11 14.743 -3.948 5.041 1.00 0.00 O ATOM 398 OD2 ASP B 11 13.368 -3.727 6.742 1.00 0.00 O ATOM 0 H ASP B 11 14.375 -1.251 3.633 1.00 0.00 H new ATOM 0 HA ASP B 11 11.626 -1.963 3.303 1.00 0.00 H new ATOM 0 HB2 ASP B 11 11.513 -3.658 5.074 1.00 0.00 H new ATOM 0 HB3 ASP B 11 12.505 -4.222 3.744 1.00 0.00 H new ATOM 403 N ASP B 12 11.201 -0.415 5.189 1.00 0.00 N ATOM 404 CA ASP B 12 10.964 0.592 6.219 1.00 0.00 C ATOM 405 C ASP B 12 9.557 1.170 6.103 1.00 0.00 C ATOM 406 O ASP B 12 9.379 2.335 5.744 1.00 0.00 O ATOM 407 CB ASP B 12 12.005 1.712 6.119 1.00 0.00 C ATOM 408 CG ASP B 12 13.114 1.563 7.141 1.00 0.00 C ATOM 409 OD1 ASP B 12 12.812 1.201 8.297 1.00 0.00 O ATOM 410 OD2 ASP B 12 14.286 1.809 6.785 1.00 0.00 O ATOM 0 H ASP B 12 10.408 -0.577 4.568 1.00 0.00 H new ATOM 0 HA ASP B 12 11.057 0.109 7.192 1.00 0.00 H new ATOM 0 HB2 ASP B 12 12.436 1.716 5.118 1.00 0.00 H new ATOM 0 HB3 ASP B 12 11.513 2.675 6.258 1.00 0.00 H new ATOM 415 N TRP B 13 8.558 0.350 6.416 1.00 0.00 N ATOM 416 CA TRP B 13 7.167 0.783 6.353 1.00 0.00 C ATOM 417 C TRP B 13 6.227 -0.292 6.908 1.00 0.00 C ATOM 418 O TRP B 13 5.094 -0.447 6.453 1.00 0.00 O ATOM 419 CB TRP B 13 6.799 1.192 4.923 1.00 0.00 C ATOM 420 CG TRP B 13 6.021 0.170 4.175 1.00 0.00 C ATOM 421 CD1 TRP B 13 4.878 0.372 3.479 1.00 0.00 C ATOM 422 CD2 TRP B 13 6.325 -1.211 4.074 1.00 0.00 C ATOM 423 NE1 TRP B 13 4.454 -0.812 2.919 1.00 0.00 N ATOM 424 CE2 TRP B 13 5.334 -1.804 3.275 1.00 0.00 C ATOM 425 CE3 TRP B 13 7.352 -1.995 4.580 1.00 0.00 C ATOM 426 CZ2 TRP B 13 5.344 -3.162 2.969 1.00 0.00 C ATOM 427 CZ3 TRP B 13 7.367 -3.345 4.281 1.00 0.00 C ATOM 428 CH2 TRP B 13 6.368 -3.917 3.479 1.00 0.00 C ATOM 0 H TRP B 13 8.686 -0.617 6.715 1.00 0.00 H new ATOM 0 HA TRP B 13 7.047 1.662 6.987 1.00 0.00 H new ATOM 0 HB2 TRP B 13 6.222 2.116 4.959 1.00 0.00 H new ATOM 0 HB3 TRP B 13 7.715 1.409 4.373 1.00 0.00 H new ATOM 0 HD1 TRP B 13 4.373 1.321 3.378 1.00 0.00 H new ATOM 0 HE1 TRP B 13 3.625 -0.932 2.337 1.00 0.00 H new ATOM 0 HE3 TRP B 13 8.125 -1.559 5.196 1.00 0.00 H new ATOM 0 HZ2 TRP B 13 4.574 -3.604 2.353 1.00 0.00 H new ATOM 0 HZ3 TRP B 13 8.159 -3.968 4.670 1.00 0.00 H new ATOM 0 HH2 TRP B 13 6.407 -4.974 3.259 1.00 0.00 H new ATOM 439 N LEU B 14 6.703 -1.015 7.918 1.00 0.00 N ATOM 440 CA LEU B 14 5.914 -2.056 8.557 1.00 0.00 C ATOM 441 C LEU B 14 5.696 -1.734 10.031 1.00 0.00 C ATOM 442 O LEU B 14 5.978 -2.549 10.910 1.00 0.00 O ATOM 443 CB LEU B 14 6.605 -3.404 8.406 1.00 0.00 C ATOM 444 CG LEU B 14 6.211 -4.201 7.161 1.00 0.00 C ATOM 445 CD1 LEU B 14 7.350 -5.109 6.727 1.00 0.00 C ATOM 446 CD2 LEU B 14 4.952 -5.012 7.427 1.00 0.00 C ATOM 0 H LEU B 14 7.637 -0.896 8.311 1.00 0.00 H new ATOM 0 HA LEU B 14 4.941 -2.103 8.069 1.00 0.00 H new ATOM 0 HB2 LEU B 14 7.683 -3.242 8.388 1.00 0.00 H new ATOM 0 HB3 LEU B 14 6.388 -4.007 9.288 1.00 0.00 H new ATOM 0 HG LEU B 14 6.005 -3.500 6.352 1.00 0.00 H new ATOM 0 HD11 LEU B 14 7.052 -5.668 5.840 1.00 0.00 H new ATOM 0 HD12 LEU B 14 8.229 -4.506 6.498 1.00 0.00 H new ATOM 0 HD13 LEU B 14 7.587 -5.805 7.532 1.00 0.00 H new ATOM 0 HD21 LEU B 14 4.685 -5.573 6.532 1.00 0.00 H new ATOM 0 HD22 LEU B 14 5.132 -5.705 8.249 1.00 0.00 H new ATOM 0 HD23 LEU B 14 4.135 -4.340 7.691 1.00 0.00 H new ATOM 458 N GLU B 15 5.195 -0.532 10.292 1.00 0.00 N ATOM 459 CA GLU B 15 4.935 -0.081 11.653 1.00 0.00 C ATOM 460 C GLU B 15 4.325 1.316 11.648 1.00 0.00 C ATOM 461 O GLU B 15 5.041 2.318 11.659 1.00 0.00 O ATOM 462 CB GLU B 15 6.229 -0.084 12.471 1.00 0.00 C ATOM 463 CG GLU B 15 7.316 0.807 11.892 1.00 0.00 C ATOM 464 CD GLU B 15 8.707 0.379 12.317 1.00 0.00 C ATOM 465 OE1 GLU B 15 8.875 -0.013 13.491 1.00 0.00 O ATOM 466 OE2 GLU B 15 9.629 0.437 11.476 1.00 0.00 O ATOM 0 H GLU B 15 4.959 0.152 9.573 1.00 0.00 H new ATOM 0 HA GLU B 15 4.225 -0.770 12.112 1.00 0.00 H new ATOM 0 HB2 GLU B 15 6.007 0.241 13.488 1.00 0.00 H new ATOM 0 HB3 GLU B 15 6.605 -1.105 12.538 1.00 0.00 H new ATOM 0 HG2 GLU B 15 7.252 0.792 10.804 1.00 0.00 H new ATOM 0 HG3 GLU B 15 7.144 1.836 12.208 1.00 0.00 H new ATOM 473 N ASN B 16 2.997 1.375 11.621 1.00 0.00 N ATOM 474 CA ASN B 16 2.282 2.647 11.602 1.00 0.00 C ATOM 475 C ASN B 16 2.378 3.297 10.225 1.00 0.00 C ATOM 476 O ASN B 16 2.764 4.459 10.092 1.00 0.00 O ATOM 477 CB ASN B 16 2.816 3.584 12.674 1.00 0.00 C ATOM 478 CG ASN B 16 1.735 4.042 13.636 1.00 0.00 C ATOM 479 OD1 ASN B 16 1.938 4.069 14.850 1.00 0.00 O ATOM 480 ND2 ASN B 16 0.577 4.403 13.095 1.00 0.00 N ATOM 0 H ASN B 16 2.392 0.554 11.612 1.00 0.00 H new ATOM 0 HA ASN B 16 1.232 2.449 11.816 1.00 0.00 H new ATOM 0 HB2 ASN B 16 3.605 3.080 13.232 1.00 0.00 H new ATOM 0 HB3 ASN B 16 3.268 4.455 12.199 1.00 0.00 H new ATOM 0 HD21 ASN B 16 -0.188 4.718 13.691 1.00 0.00 H new ATOM 0 HD22 ASN B 16 0.453 4.365 12.083 1.00 0.00 H new ATOM 487 N ILE B 17 2.029 2.527 9.201 1.00 0.00 N ATOM 488 CA ILE B 17 2.076 3.001 7.826 1.00 0.00 C ATOM 489 C ILE B 17 0.737 2.787 7.128 1.00 0.00 C ATOM 490 O ILE B 17 -0.109 2.033 7.610 1.00 0.00 O ATOM 491 CB ILE B 17 3.186 2.288 7.053 1.00 0.00 C ATOM 492 CG1 ILE B 17 4.533 2.555 7.728 1.00 0.00 C ATOM 493 CG2 ILE B 17 3.212 2.700 5.585 1.00 0.00 C ATOM 494 CD1 ILE B 17 5.239 3.802 7.237 1.00 0.00 C ATOM 0 H ILE B 17 1.708 1.564 9.300 1.00 0.00 H new ATOM 0 HA ILE B 17 2.287 4.070 7.847 1.00 0.00 H new ATOM 0 HB ILE B 17 2.984 1.217 7.072 1.00 0.00 H new ATOM 0 HG12 ILE B 17 4.377 2.639 8.803 1.00 0.00 H new ATOM 0 HG13 ILE B 17 5.184 1.696 7.567 1.00 0.00 H new ATOM 0 HG21 ILE B 17 4.015 2.170 5.073 1.00 0.00 H new ATOM 0 HG22 ILE B 17 2.258 2.450 5.120 1.00 0.00 H new ATOM 0 HG23 ILE B 17 3.381 3.774 5.512 1.00 0.00 H new ATOM 0 HD11 ILE B 17 6.185 3.917 7.766 1.00 0.00 H new ATOM 0 HD12 ILE B 17 5.430 3.715 6.167 1.00 0.00 H new ATOM 0 HD13 ILE B 17 4.611 4.673 7.423 1.00 0.00 H new ATOM 506 N ASP B 18 0.552 3.452 5.996 1.00 0.00 N ATOM 507 CA ASP B 18 -0.683 3.334 5.229 1.00 0.00 C ATOM 508 C ASP B 18 -0.931 1.886 4.822 1.00 0.00 C ATOM 509 O ASP B 18 -0.565 1.469 3.724 1.00 0.00 O ATOM 510 CB ASP B 18 -0.624 4.218 3.981 1.00 0.00 C ATOM 511 CG ASP B 18 -0.208 5.640 4.299 1.00 0.00 C ATOM 512 OD1 ASP B 18 -0.455 6.090 5.438 1.00 0.00 O ATOM 513 OD2 ASP B 18 0.364 6.305 3.410 1.00 0.00 O ATOM 0 H ASP B 18 1.243 4.081 5.587 1.00 0.00 H new ATOM 0 HA ASP B 18 -1.506 3.666 5.863 1.00 0.00 H new ATOM 0 HB2 ASP B 18 0.079 3.788 3.267 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -1.602 4.228 3.499 1.00 0.00 H new ATOM 518 N VAL B 19 -1.550 1.123 5.714 1.00 0.00 N ATOM 519 CA VAL B 19 -1.839 -0.278 5.444 1.00 0.00 C ATOM 520 C VAL B 19 -3.264 -0.456 4.936 1.00 0.00 C ATOM 521 O VAL B 19 -4.230 -0.254 5.671 1.00 0.00 O ATOM 522 CB VAL B 19 -1.635 -1.152 6.695 1.00 0.00 C ATOM 523 CG1 VAL B 19 -1.631 -2.624 6.319 1.00 0.00 C ATOM 524 CG2 VAL B 19 -0.343 -0.777 7.407 1.00 0.00 C ATOM 0 H VAL B 19 -1.861 1.451 6.629 1.00 0.00 H new ATOM 0 HA VAL B 19 -1.138 -0.600 4.674 1.00 0.00 H new ATOM 0 HB VAL B 19 -2.465 -0.973 7.379 1.00 0.00 H new ATOM 0 HG11 VAL B 19 -1.486 -3.228 7.215 1.00 0.00 H new ATOM 0 HG12 VAL B 19 -2.583 -2.884 5.857 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -0.821 -2.818 5.616 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -0.217 -1.406 8.288 1.00 0.00 H new ATOM 0 HG22 VAL B 19 0.500 -0.925 6.732 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -0.385 0.269 7.711 1.00 0.00 H new ATOM 534 N CYS B 20 -3.382 -0.835 3.667 1.00 0.00 N ATOM 535 CA CYS B 20 -4.681 -1.045 3.035 1.00 0.00 C ATOM 536 C CYS B 20 -5.593 -1.898 3.914 1.00 0.00 C ATOM 537 O CYS B 20 -5.542 -3.126 3.875 1.00 0.00 O ATOM 538 CB CYS B 20 -4.484 -1.708 1.677 1.00 0.00 C ATOM 539 SG CYS B 20 -6.011 -1.900 0.693 1.00 0.00 S ATOM 0 H CYS B 20 -2.587 -1.004 3.051 1.00 0.00 H new ATOM 0 HA CYS B 20 -5.162 -0.076 2.901 1.00 0.00 H new ATOM 0 HB2 CYS B 20 -3.769 -1.121 1.101 1.00 0.00 H new ATOM 0 HB3 CYS B 20 -4.040 -2.692 1.829 1.00 0.00 H new ATOM 544 N GLU B 21 -6.424 -1.230 4.710 1.00 0.00 N ATOM 545 CA GLU B 21 -7.349 -1.916 5.606 1.00 0.00 C ATOM 546 C GLU B 21 -8.273 -2.856 4.839 1.00 0.00 C ATOM 547 O GLU B 21 -8.832 -3.792 5.411 1.00 0.00 O ATOM 548 CB GLU B 21 -8.177 -0.898 6.392 1.00 0.00 C ATOM 549 CG GLU B 21 -8.893 0.113 5.512 1.00 0.00 C ATOM 550 CD GLU B 21 -10.385 -0.139 5.429 1.00 0.00 C ATOM 551 OE1 GLU B 21 -10.779 -1.296 5.173 1.00 0.00 O ATOM 552 OE2 GLU B 21 -11.161 0.821 5.621 1.00 0.00 O ATOM 0 H GLU B 21 -6.475 -0.212 4.752 1.00 0.00 H new ATOM 0 HA GLU B 21 -6.758 -2.514 6.300 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -8.914 -1.429 6.994 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -7.523 -0.367 7.084 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -8.719 1.116 5.902 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -8.467 0.082 4.509 1.00 0.00 H new ATOM 559 N ASN B 22 -8.430 -2.608 3.541 1.00 0.00 N ATOM 560 CA ASN B 22 -9.287 -3.440 2.703 1.00 0.00 C ATOM 561 C ASN B 22 -8.881 -4.906 2.808 1.00 0.00 C ATOM 562 O ASN B 22 -9.729 -5.796 2.863 1.00 0.00 O ATOM 563 CB ASN B 22 -9.215 -2.981 1.246 1.00 0.00 C ATOM 564 CG ASN B 22 -10.381 -3.489 0.421 1.00 0.00 C ATOM 565 OD1 ASN B 22 -10.346 -4.603 -0.104 1.00 0.00 O ATOM 566 ND2 ASN B 22 -11.422 -2.674 0.301 1.00 0.00 N ATOM 0 H ASN B 22 -7.976 -1.839 3.048 1.00 0.00 H new ATOM 0 HA ASN B 22 -10.313 -3.336 3.056 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -9.197 -1.892 1.212 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -8.282 -3.330 0.804 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -12.235 -2.962 -0.243 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -11.409 -1.760 0.753 1.00 0.00 H new ATOM 573 N CYS B 23 -7.575 -5.147 2.839 1.00 0.00 N ATOM 574 CA CYS B 23 -7.047 -6.503 2.940 1.00 0.00 C ATOM 575 C CYS B 23 -6.080 -6.643 4.117 1.00 0.00 C ATOM 576 O CYS B 23 -5.597 -7.740 4.401 1.00 0.00 O ATOM 577 CB CYS B 23 -6.343 -6.895 1.639 1.00 0.00 C ATOM 578 SG CYS B 23 -5.195 -5.632 1.001 1.00 0.00 S ATOM 0 H CYS B 23 -6.861 -4.420 2.796 1.00 0.00 H new ATOM 0 HA CYS B 23 -7.889 -7.174 3.113 1.00 0.00 H new ATOM 0 HB2 CYS B 23 -5.792 -7.821 1.802 1.00 0.00 H new ATOM 0 HB3 CYS B 23 -7.097 -7.102 0.879 1.00 0.00 H new ATOM 583 N HIS B 24 -5.792 -5.527 4.796 1.00 0.00 N ATOM 584 CA HIS B 24 -4.877 -5.521 5.941 1.00 0.00 C ATOM 585 C HIS B 24 -3.413 -5.510 5.494 1.00 0.00 C ATOM 586 O HIS B 24 -2.515 -5.251 6.296 1.00 0.00 O ATOM 587 CB HIS B 24 -5.139 -6.711 6.855 1.00 0.00 C ATOM 588 CG HIS B 24 -5.354 -6.328 8.287 1.00 0.00 C ATOM 589 ND1 HIS B 24 -4.445 -6.608 9.286 1.00 0.00 N ATOM 590 CD2 HIS B 24 -6.381 -5.680 8.887 1.00 0.00 C ATOM 591 CE1 HIS B 24 -4.904 -6.151 10.438 1.00 0.00 C ATOM 592 NE2 HIS B 24 -6.076 -5.583 10.223 1.00 0.00 N ATOM 0 H HIS B 24 -6.182 -4.612 4.570 1.00 0.00 H new ATOM 0 HA HIS B 24 -5.066 -4.604 6.499 1.00 0.00 H new ATOM 0 HB2 HIS B 24 -6.016 -7.249 6.495 1.00 0.00 H new ATOM 0 HB3 HIS B 24 -4.296 -7.399 6.794 1.00 0.00 H new ATOM 0 HD2 HIS B 24 -7.273 -5.309 8.405 1.00 0.00 H new ATOM 0 HE1 HIS B 24 -4.405 -6.229 11.393 1.00 0.00 H new ATOM 0 HE2 HIS B 24 -6.661 -5.143 10.934 1.00 0.00 H new ATOM 601 N TYR B 25 -3.179 -5.785 4.215 1.00 0.00 N ATOM 602 CA TYR B 25 -1.841 -5.803 3.658 1.00 0.00 C ATOM 603 C TYR B 25 -1.346 -4.381 3.392 1.00 0.00 C ATOM 604 O TYR B 25 -2.113 -3.523 2.956 1.00 0.00 O ATOM 605 CB TYR B 25 -1.856 -6.608 2.370 1.00 0.00 C ATOM 606 CG TYR B 25 -2.698 -7.867 2.430 1.00 0.00 C ATOM 607 CD1 TYR B 25 -2.878 -8.556 3.626 1.00 0.00 C ATOM 608 CD2 TYR B 25 -3.307 -8.370 1.288 1.00 0.00 C ATOM 609 CE1 TYR B 25 -3.641 -9.707 3.677 1.00 0.00 C ATOM 610 CE2 TYR B 25 -4.072 -9.521 1.332 1.00 0.00 C ATOM 611 CZ TYR B 25 -4.235 -10.185 2.529 1.00 0.00 C ATOM 612 OH TYR B 25 -4.995 -11.331 2.578 1.00 0.00 O ATOM 0 H TYR B 25 -3.913 -6.001 3.541 1.00 0.00 H new ATOM 0 HA TYR B 25 -1.159 -6.265 4.372 1.00 0.00 H new ATOM 0 HB2 TYR B 25 -2.227 -5.975 1.564 1.00 0.00 H new ATOM 0 HB3 TYR B 25 -0.832 -6.882 2.115 1.00 0.00 H new ATOM 0 HD1 TYR B 25 -2.414 -8.185 4.528 1.00 0.00 H new ATOM 0 HD2 TYR B 25 -3.181 -7.853 0.348 1.00 0.00 H new ATOM 0 HE1 TYR B 25 -3.771 -10.230 4.613 1.00 0.00 H new ATOM 0 HE2 TYR B 25 -4.539 -9.898 0.434 1.00 0.00 H new ATOM 0 HH TYR B 25 -5.343 -11.531 1.684 1.00 0.00 H new ATOM 622 N PRO B 26 -0.057 -4.109 3.662 1.00 0.00 N ATOM 623 CA PRO B 26 0.529 -2.778 3.462 1.00 0.00 C ATOM 624 C PRO B 26 0.645 -2.391 1.990 1.00 0.00 C ATOM 625 O PRO B 26 1.364 -3.031 1.223 1.00 0.00 O ATOM 626 CB PRO B 26 1.930 -2.889 4.086 1.00 0.00 C ATOM 627 CG PRO B 26 1.933 -4.166 4.859 1.00 0.00 C ATOM 628 CD PRO B 26 0.927 -5.061 4.198 1.00 0.00 C ATOM 0 HA PRO B 26 -0.096 -2.006 3.911 1.00 0.00 H new ATOM 0 HB2 PRO B 26 2.701 -2.897 3.316 1.00 0.00 H new ATOM 0 HB3 PRO B 26 2.137 -2.039 4.736 1.00 0.00 H new ATOM 0 HG2 PRO B 26 2.923 -4.622 4.852 1.00 0.00 H new ATOM 0 HG3 PRO B 26 1.670 -3.990 5.902 1.00 0.00 H new ATOM 0 HD2 PRO B 26 1.378 -5.663 3.409 1.00 0.00 H new ATOM 0 HD3 PRO B 26 0.474 -5.753 4.908 1.00 0.00 H new ATOM 636 N ILE B 27 -0.048 -1.320 1.608 1.00 0.00 N ATOM 637 CA ILE B 27 -0.002 -0.828 0.237 1.00 0.00 C ATOM 638 C ILE B 27 1.239 0.038 0.021 1.00 0.00 C ATOM 639 O ILE B 27 1.302 1.179 0.479 1.00 0.00 O ATOM 640 CB ILE B 27 -1.286 -0.038 -0.133 1.00 0.00 C ATOM 641 CG1 ILE B 27 -2.303 -0.972 -0.784 1.00 0.00 C ATOM 642 CG2 ILE B 27 -0.979 1.140 -1.054 1.00 0.00 C ATOM 643 CD1 ILE B 27 -3.586 -0.283 -1.199 1.00 0.00 C ATOM 0 H ILE B 27 -0.647 -0.778 2.230 1.00 0.00 H new ATOM 0 HA ILE B 27 0.053 -1.695 -0.422 1.00 0.00 H new ATOM 0 HB ILE B 27 -1.707 0.368 0.787 1.00 0.00 H new ATOM 0 HG12 ILE B 27 -1.849 -1.434 -1.661 1.00 0.00 H new ATOM 0 HG13 ILE B 27 -2.542 -1.776 -0.088 1.00 0.00 H new ATOM 0 HG21 ILE B 27 -1.903 1.668 -1.290 1.00 0.00 H new ATOM 0 HG22 ILE B 27 -0.289 1.821 -0.556 1.00 0.00 H new ATOM 0 HG23 ILE B 27 -0.525 0.773 -1.975 1.00 0.00 H new ATOM 0 HD11 ILE B 27 -4.259 -1.010 -1.654 1.00 0.00 H new ATOM 0 HD12 ILE B 27 -4.064 0.155 -0.323 1.00 0.00 H new ATOM 0 HD13 ILE B 27 -3.360 0.503 -1.920 1.00 0.00 H new ATOM 655 N VAL B 28 2.226 -0.519 -0.674 1.00 0.00 N ATOM 656 CA VAL B 28 3.468 0.188 -0.949 1.00 0.00 C ATOM 657 C VAL B 28 3.395 0.767 -2.356 1.00 0.00 C ATOM 658 O VAL B 28 2.637 0.300 -3.206 1.00 0.00 O ATOM 659 CB VAL B 28 4.702 -0.718 -0.891 1.00 0.00 C ATOM 660 CG1 VAL B 28 5.871 -0.042 -0.185 1.00 0.00 C ATOM 661 CG2 VAL B 28 4.394 -2.087 -0.300 1.00 0.00 C ATOM 0 H VAL B 28 2.187 -1.463 -1.058 1.00 0.00 H new ATOM 0 HA VAL B 28 3.573 0.955 -0.182 1.00 0.00 H new ATOM 0 HB VAL B 28 5.007 -0.890 -1.923 1.00 0.00 H new ATOM 0 HG11 VAL B 28 6.725 -0.719 -0.166 1.00 0.00 H new ATOM 0 HG12 VAL B 28 6.141 0.869 -0.719 1.00 0.00 H new ATOM 0 HG13 VAL B 28 5.584 0.208 0.836 1.00 0.00 H new ATOM 0 HG21 VAL B 28 5.303 -2.688 -0.282 1.00 0.00 H new ATOM 0 HG22 VAL B 28 4.018 -1.968 0.716 1.00 0.00 H new ATOM 0 HG23 VAL B 28 3.641 -2.586 -0.910 1.00 0.00 H new ATOM 671 N PRO B 29 4.194 1.787 -2.599 1.00 0.00 N ATOM 672 CA PRO B 29 4.279 2.476 -3.868 1.00 0.00 C ATOM 673 C PRO B 29 5.345 1.880 -4.783 1.00 0.00 C ATOM 674 O PRO B 29 6.401 1.447 -4.321 1.00 0.00 O ATOM 675 CB PRO B 29 4.663 3.891 -3.439 1.00 0.00 C ATOM 676 CG PRO B 29 5.412 3.724 -2.147 1.00 0.00 C ATOM 677 CD PRO B 29 5.108 2.335 -1.626 1.00 0.00 C ATOM 0 HA PRO B 29 3.357 2.415 -4.446 1.00 0.00 H new ATOM 0 HB2 PRO B 29 5.283 4.376 -4.193 1.00 0.00 H new ATOM 0 HB3 PRO B 29 3.779 4.514 -3.304 1.00 0.00 H new ATOM 0 HG2 PRO B 29 6.483 3.849 -2.305 1.00 0.00 H new ATOM 0 HG3 PRO B 29 5.106 4.481 -1.425 1.00 0.00 H new ATOM 0 HD2 PRO B 29 6.013 1.733 -1.545 1.00 0.00 H new ATOM 0 HD3 PRO B 29 4.659 2.371 -0.633 1.00 0.00 H new ATOM 685 N LEU B 30 5.059 1.855 -6.082 1.00 0.00 N ATOM 686 CA LEU B 30 5.979 1.308 -7.062 1.00 0.00 C ATOM 687 C LEU B 30 7.379 1.893 -6.897 1.00 0.00 C ATOM 688 O LEU B 30 7.553 3.112 -6.857 1.00 0.00 O ATOM 689 CB LEU B 30 5.466 1.577 -8.478 1.00 0.00 C ATOM 690 CG LEU B 30 4.349 0.646 -8.949 1.00 0.00 C ATOM 691 CD1 LEU B 30 3.355 1.401 -9.820 1.00 0.00 C ATOM 692 CD2 LEU B 30 4.928 -0.540 -9.706 1.00 0.00 C ATOM 0 H LEU B 30 4.189 2.211 -6.478 1.00 0.00 H new ATOM 0 HA LEU B 30 6.039 0.232 -6.899 1.00 0.00 H new ATOM 0 HB2 LEU B 30 5.107 2.605 -8.529 1.00 0.00 H new ATOM 0 HB3 LEU B 30 6.302 1.497 -9.172 1.00 0.00 H new ATOM 0 HG LEU B 30 3.821 0.271 -8.072 1.00 0.00 H new ATOM 0 HD11 LEU B 30 2.567 0.722 -10.146 1.00 0.00 H new ATOM 0 HD12 LEU B 30 2.916 2.218 -9.247 1.00 0.00 H new ATOM 0 HD13 LEU B 30 3.869 1.805 -10.692 1.00 0.00 H new ATOM 0 HD21 LEU B 30 4.119 -1.192 -10.034 1.00 0.00 H new ATOM 0 HD22 LEU B 30 5.481 -0.182 -10.575 1.00 0.00 H new ATOM 0 HD23 LEU B 30 5.600 -1.096 -9.052 1.00 0.00 H new ATOM 704 N ASP B 31 8.375 1.018 -6.802 1.00 0.00 N ATOM 705 CA ASP B 31 9.759 1.449 -6.642 1.00 0.00 C ATOM 706 C ASP B 31 10.663 0.764 -7.662 1.00 0.00 C ATOM 707 O ASP B 31 10.271 -0.216 -8.295 1.00 0.00 O ATOM 708 CB ASP B 31 10.248 1.145 -5.224 1.00 0.00 C ATOM 709 CG ASP B 31 10.243 -0.339 -4.915 1.00 0.00 C ATOM 710 OD1 ASP B 31 9.149 -0.889 -4.666 1.00 0.00 O ATOM 711 OD2 ASP B 31 11.331 -0.952 -4.925 1.00 0.00 O ATOM 0 H ASP B 31 8.249 0.006 -6.833 1.00 0.00 H new ATOM 0 HA ASP B 31 9.801 2.525 -6.811 1.00 0.00 H new ATOM 0 HB2 ASP B 31 11.258 1.535 -5.100 1.00 0.00 H new ATOM 0 HB3 ASP B 31 9.615 1.665 -4.505 1.00 0.00 H new ATOM 716 N GLY B 32 11.877 1.286 -7.814 1.00 0.00 N ATOM 717 CA GLY B 32 12.818 0.712 -8.758 1.00 0.00 C ATOM 718 C GLY B 32 13.841 1.719 -9.241 1.00 0.00 C ATOM 719 O GLY B 32 13.712 2.270 -10.334 1.00 0.00 O ATOM 0 H GLY B 32 12.225 2.096 -7.300 1.00 0.00 H new ATOM 0 HA2 GLY B 32 13.332 -0.127 -8.289 1.00 0.00 H new ATOM 0 HA3 GLY B 32 12.272 0.314 -9.614 1.00 0.00 H new ATOM 723 N LYS B 33 14.862 1.960 -8.424 1.00 0.00 N ATOM 724 CA LYS B 33 15.914 2.909 -8.775 1.00 0.00 C ATOM 725 C LYS B 33 17.015 2.226 -9.579 1.00 0.00 C ATOM 726 O LYS B 33 17.029 1.003 -9.719 1.00 0.00 O ATOM 727 CB LYS B 33 16.503 3.538 -7.511 1.00 0.00 C ATOM 728 CG LYS B 33 15.453 4.077 -6.553 1.00 0.00 C ATOM 729 CD LYS B 33 15.199 3.116 -5.404 1.00 0.00 C ATOM 730 CE LYS B 33 14.911 3.858 -4.109 1.00 0.00 C ATOM 731 NZ LYS B 33 13.531 4.418 -4.086 1.00 0.00 N ATOM 0 H LYS B 33 14.983 1.512 -7.516 1.00 0.00 H new ATOM 0 HA LYS B 33 15.473 3.693 -9.391 1.00 0.00 H new ATOM 0 HB2 LYS B 33 17.108 2.794 -6.993 1.00 0.00 H new ATOM 0 HB3 LYS B 33 17.172 4.349 -7.797 1.00 0.00 H new ATOM 0 HG2 LYS B 33 15.779 5.039 -6.158 1.00 0.00 H new ATOM 0 HG3 LYS B 33 14.523 4.253 -7.093 1.00 0.00 H new ATOM 0 HD2 LYS B 33 14.356 2.469 -5.649 1.00 0.00 H new ATOM 0 HD3 LYS B 33 16.067 2.471 -5.269 1.00 0.00 H new ATOM 0 HE2 LYS B 33 15.042 3.180 -3.265 1.00 0.00 H new ATOM 0 HE3 LYS B 33 15.633 4.665 -3.985 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 13.374 4.916 -3.187 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 13.413 5.084 -4.876 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 12.841 3.645 -4.179 1.00 0.00 H new ATOM 745 N GLY B 34 17.938 3.025 -10.106 1.00 0.00 N ATOM 746 CA GLY B 34 19.030 2.480 -10.890 1.00 0.00 C ATOM 747 C GLY B 34 18.703 2.402 -12.368 1.00 0.00 C ATOM 748 O GLY B 34 17.901 3.187 -12.874 1.00 0.00 O ATOM 0 H GLY B 34 17.949 4.040 -10.004 1.00 0.00 H new ATOM 0 HA2 GLY B 34 19.917 3.098 -10.750 1.00 0.00 H new ATOM 0 HA3 GLY B 34 19.274 1.483 -10.522 1.00 0.00 H new ATOM 752 N THR B 35 19.326 1.455 -13.061 1.00 0.00 N ATOM 753 CA THR B 35 19.097 1.278 -14.491 1.00 0.00 C ATOM 754 C THR B 35 18.052 0.197 -14.746 1.00 0.00 C ATOM 755 O THR B 35 17.477 0.180 -15.854 1.00 0.00 O ATOM 756 CB THR B 35 20.406 0.915 -15.195 1.00 0.00 C ATOM 757 OG1 THR B 35 21.185 0.049 -14.391 1.00 0.00 O ATOM 758 CG2 THR B 35 21.258 2.119 -15.532 1.00 0.00 C ATOM 759 OXT THR B 35 17.820 -0.627 -13.836 1.00 0.00 O ATOM 0 H THR B 35 19.993 0.798 -12.656 1.00 0.00 H new ATOM 0 HA THR B 35 18.723 2.219 -14.894 1.00 0.00 H new ATOM 0 HB THR B 35 20.108 0.429 -16.124 1.00 0.00 H new ATOM 0 HG1 THR B 35 21.658 0.572 -13.710 1.00 0.00 H new ATOM 0 HG21 THR B 35 22.171 1.791 -16.029 1.00 0.00 H new ATOM 0 HG22 THR B 35 20.703 2.784 -16.194 1.00 0.00 H new ATOM 0 HG23 THR B 35 21.515 2.651 -14.616 1.00 0.00 H new TER 767 THR B 35 HETATM 768 ZN ZN A 207 -5.560 -3.870 -0.511 1.00 0.00 ZN