USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 476 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 212 CYS SG : rot -171:sc= -1.99! USER MOD Set 1.2: A 239 CYS SG : rot -72:sc= -0.424 USER MOD Set 1.3: A 242 CYS SG : rot 104:sc= 0.745 USER MOD Set 2.1: A 199 CYS SG : rot -112:sc= 0.986 USER MOD Set 2.2: A 226 CYS SG : rot 111:sc= 0.699 USER MOD Single : A 187 MET CE :methyl 174:sc= 0 (180deg=-0.0443) USER MOD Single : A 189 MET CE :methyl 176:sc= -0.0277 (180deg=-0.0554) USER MOD Single : A 194 ASN : amide:sc= 0.347 X(o=0.35,f=0) USER MOD Single : A 197 THR OG1 : rot -46:sc= 0.776 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 202 HIS : no HD1:sc= -0.146 X(o=-0.15,f=-0.23) USER MOD Single : A 203 GLN : amide:sc= 0.25 X(o=0.25,f=0) USER MOD Single : A 205 SER OG : rot 180:sc= 0 USER MOD Single : A 209 MET CE :methyl -179:sc= 0 (180deg=-0.00183) USER MOD Single : A 218 SER OG : rot 180:sc= 0 USER MOD Single : A 223 HIS :FLIP no HD1:sc= -0.0956 F(o=-0.74,f=-0.096) USER MOD Single : A 230 THR OG1 : rot -42:sc= 0.187 USER MOD Single : A 231 THR OG1 : rot -61:sc= 0.54 USER MOD Single : A 232 LYS NZ :NH3+ -124:sc= -0.0186 (180deg=-1.14) USER MOD Single : A 236 LYS NZ :NH3+ -141:sc= -0.0159 (180deg=-1.59) USER MOD Single : A 243 SER OG : rot 180:sc= 0 USER MOD Single : A 244 GLN : amide:sc= -0.0809 X(o=-0.081,f=-0.49) USER MOD Single : A 247 LYS NZ :NH3+ -133:sc= -0.147 (180deg=-1.58!) USER MOD Single : A 248 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 249 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 187 -22.020 8.587 -4.747 1.00 0.00 N ATOM 2 CA MET A 187 -21.055 9.370 -3.944 1.00 0.00 C ATOM 3 C MET A 187 -20.508 10.594 -4.701 1.00 0.00 C ATOM 4 O MET A 187 -19.610 11.258 -4.185 1.00 0.00 O ATOM 5 CB MET A 187 -19.909 8.474 -3.439 1.00 0.00 C ATOM 6 CG MET A 187 -20.414 7.343 -2.534 1.00 0.00 C ATOM 7 SD MET A 187 -19.115 6.303 -1.811 1.00 0.00 S ATOM 8 CE MET A 187 -18.418 7.441 -0.583 1.00 0.00 C ATOM 0 HA MET A 187 -21.600 9.755 -3.083 1.00 0.00 H new ATOM 0 HB2 MET A 187 -19.381 8.047 -4.292 1.00 0.00 H new ATOM 0 HB3 MET A 187 -19.189 9.082 -2.891 1.00 0.00 H new ATOM 0 HG2 MET A 187 -21.001 7.779 -1.726 1.00 0.00 H new ATOM 0 HG3 MET A 187 -21.087 6.709 -3.111 1.00 0.00 H new ATOM 0 HE1 MET A 187 -17.677 6.916 0.020 1.00 0.00 H new ATOM 0 HE2 MET A 187 -17.943 8.279 -1.092 1.00 0.00 H new ATOM 0 HE3 MET A 187 -19.214 7.812 0.062 1.00 0.00 H new ATOM 20 N ASP A 188 -21.057 10.910 -5.890 1.00 0.00 N ATOM 21 CA ASP A 188 -20.647 12.022 -6.755 1.00 0.00 C ATOM 22 C ASP A 188 -19.157 11.955 -7.149 1.00 0.00 C ATOM 23 O ASP A 188 -18.511 10.920 -6.977 1.00 0.00 O ATOM 24 CB ASP A 188 -21.069 13.364 -6.119 1.00 0.00 C ATOM 25 CG ASP A 188 -22.553 13.374 -5.740 1.00 0.00 C ATOM 26 OD1 ASP A 188 -23.372 13.575 -6.662 1.00 0.00 O ATOM 27 OD2 ASP A 188 -22.843 13.155 -4.543 1.00 0.00 O ATOM 0 H ASP A 188 -21.829 10.373 -6.286 1.00 0.00 H new ATOM 0 HA ASP A 188 -21.173 11.935 -7.706 1.00 0.00 H new ATOM 0 HB2 ASP A 188 -20.466 13.550 -5.230 1.00 0.00 H new ATOM 0 HB3 ASP A 188 -20.867 14.176 -6.817 1.00 0.00 H new ATOM 32 N MET A 189 -18.625 13.045 -7.719 1.00 0.00 N ATOM 33 CA MET A 189 -17.211 13.200 -8.054 1.00 0.00 C ATOM 34 C MET A 189 -16.460 13.801 -6.847 1.00 0.00 C ATOM 35 O MET A 189 -16.676 14.972 -6.533 1.00 0.00 O ATOM 36 CB MET A 189 -17.040 14.048 -9.331 1.00 0.00 C ATOM 37 CG MET A 189 -17.881 15.336 -9.401 1.00 0.00 C ATOM 38 SD MET A 189 -17.544 16.375 -10.848 1.00 0.00 S ATOM 39 CE MET A 189 -16.000 17.160 -10.320 1.00 0.00 C ATOM 0 H MET A 189 -19.184 13.862 -7.964 1.00 0.00 H new ATOM 0 HA MET A 189 -16.777 12.223 -8.269 1.00 0.00 H new ATOM 0 HB2 MET A 189 -15.988 14.318 -9.426 1.00 0.00 H new ATOM 0 HB3 MET A 189 -17.289 13.427 -10.192 1.00 0.00 H new ATOM 0 HG2 MET A 189 -18.937 15.066 -9.401 1.00 0.00 H new ATOM 0 HG3 MET A 189 -17.702 15.921 -8.499 1.00 0.00 H new ATOM 0 HE1 MET A 189 -15.614 17.782 -11.127 1.00 0.00 H new ATOM 0 HE2 MET A 189 -16.188 17.779 -9.443 1.00 0.00 H new ATOM 0 HE3 MET A 189 -15.268 16.392 -10.072 1.00 0.00 H new ATOM 49 N PRO A 190 -15.587 13.041 -6.151 1.00 0.00 N ATOM 50 CA PRO A 190 -14.850 13.550 -4.994 1.00 0.00 C ATOM 51 C PRO A 190 -13.690 14.470 -5.408 1.00 0.00 C ATOM 52 O PRO A 190 -13.410 15.448 -4.716 1.00 0.00 O ATOM 53 CB PRO A 190 -14.340 12.300 -4.270 1.00 0.00 C ATOM 54 CG PRO A 190 -14.161 11.277 -5.391 1.00 0.00 C ATOM 55 CD PRO A 190 -15.280 11.632 -6.369 1.00 0.00 C ATOM 0 HA PRO A 190 -15.485 14.165 -4.355 1.00 0.00 H new ATOM 0 HB2 PRO A 190 -13.401 12.493 -3.751 1.00 0.00 H new ATOM 0 HB3 PRO A 190 -15.052 11.953 -3.521 1.00 0.00 H new ATOM 0 HG2 PRO A 190 -13.179 11.357 -5.857 1.00 0.00 H new ATOM 0 HG3 PRO A 190 -14.257 10.255 -5.023 1.00 0.00 H new ATOM 0 HD2 PRO A 190 -14.966 11.458 -7.398 1.00 0.00 H new ATOM 0 HD3 PRO A 190 -16.159 11.012 -6.195 1.00 0.00 H new ATOM 63 N VAL A 191 -13.033 14.155 -6.534 1.00 0.00 N ATOM 64 CA VAL A 191 -11.872 14.856 -7.082 1.00 0.00 C ATOM 65 C VAL A 191 -11.747 14.615 -8.605 1.00 0.00 C ATOM 66 O VAL A 191 -10.727 14.961 -9.198 1.00 0.00 O ATOM 67 CB VAL A 191 -10.619 14.399 -6.290 1.00 0.00 C ATOM 68 CG1 VAL A 191 -10.140 12.981 -6.652 1.00 0.00 C ATOM 69 CG2 VAL A 191 -9.455 15.399 -6.389 1.00 0.00 C ATOM 0 H VAL A 191 -13.315 13.364 -7.113 1.00 0.00 H new ATOM 0 HA VAL A 191 -11.982 15.934 -6.967 1.00 0.00 H new ATOM 0 HB VAL A 191 -10.952 14.368 -5.253 1.00 0.00 H new ATOM 0 HG11 VAL A 191 -9.261 12.731 -6.058 1.00 0.00 H new ATOM 0 HG12 VAL A 191 -10.934 12.264 -6.443 1.00 0.00 H new ATOM 0 HG13 VAL A 191 -9.886 12.942 -7.711 1.00 0.00 H new ATOM 0 HG21 VAL A 191 -8.606 15.027 -5.816 1.00 0.00 H new ATOM 0 HG22 VAL A 191 -9.164 15.517 -7.433 1.00 0.00 H new ATOM 0 HG23 VAL A 191 -9.769 16.363 -5.989 1.00 0.00 H new ATOM 79 N ASP A 192 -12.778 14.021 -9.233 1.00 0.00 N ATOM 80 CA ASP A 192 -12.751 13.485 -10.595 1.00 0.00 C ATOM 81 C ASP A 192 -11.542 12.543 -10.805 1.00 0.00 C ATOM 82 O ASP A 192 -10.634 12.874 -11.570 1.00 0.00 O ATOM 83 CB ASP A 192 -12.882 14.614 -11.635 1.00 0.00 C ATOM 84 CG ASP A 192 -13.069 14.077 -13.058 1.00 0.00 C ATOM 85 OD1 ASP A 192 -13.988 13.248 -13.241 1.00 0.00 O ATOM 86 OD2 ASP A 192 -12.299 14.510 -13.944 1.00 0.00 O ATOM 0 H ASP A 192 -13.685 13.899 -8.783 1.00 0.00 H new ATOM 0 HA ASP A 192 -13.626 12.853 -10.749 1.00 0.00 H new ATOM 0 HB2 ASP A 192 -13.729 15.248 -11.374 1.00 0.00 H new ATOM 0 HB3 ASP A 192 -11.992 15.242 -11.600 1.00 0.00 H new ATOM 91 N PRO A 193 -11.478 11.395 -10.095 1.00 0.00 N ATOM 92 CA PRO A 193 -10.376 10.445 -10.202 1.00 0.00 C ATOM 93 C PRO A 193 -10.427 9.712 -11.551 1.00 0.00 C ATOM 94 O PRO A 193 -11.267 8.836 -11.762 1.00 0.00 O ATOM 95 CB PRO A 193 -10.531 9.501 -9.003 1.00 0.00 C ATOM 96 CG PRO A 193 -12.035 9.506 -8.733 1.00 0.00 C ATOM 97 CD PRO A 193 -12.463 10.918 -9.130 1.00 0.00 C ATOM 0 HA PRO A 193 -9.400 10.929 -10.177 1.00 0.00 H new ATOM 0 HB2 PRO A 193 -10.168 8.499 -9.232 1.00 0.00 H new ATOM 0 HB3 PRO A 193 -9.968 9.854 -8.139 1.00 0.00 H new ATOM 0 HG2 PRO A 193 -12.551 8.749 -9.323 1.00 0.00 H new ATOM 0 HG3 PRO A 193 -12.256 9.299 -7.686 1.00 0.00 H new ATOM 0 HD2 PRO A 193 -13.462 10.912 -9.566 1.00 0.00 H new ATOM 0 HD3 PRO A 193 -12.500 11.571 -8.258 1.00 0.00 H new ATOM 105 N ASN A 194 -9.517 10.085 -12.461 1.00 0.00 N ATOM 106 CA ASN A 194 -9.386 9.493 -13.793 1.00 0.00 C ATOM 107 C ASN A 194 -8.634 8.147 -13.784 1.00 0.00 C ATOM 108 O ASN A 194 -8.578 7.489 -14.823 1.00 0.00 O ATOM 109 CB ASN A 194 -8.701 10.508 -14.730 1.00 0.00 C ATOM 110 CG ASN A 194 -9.679 11.556 -15.265 1.00 0.00 C ATOM 111 OD1 ASN A 194 -10.095 11.482 -16.418 1.00 0.00 O ATOM 112 ND2 ASN A 194 -10.062 12.531 -14.444 1.00 0.00 N ATOM 0 H ASN A 194 -8.837 10.824 -12.284 1.00 0.00 H new ATOM 0 HA ASN A 194 -10.387 9.267 -14.159 1.00 0.00 H new ATOM 0 HB2 ASN A 194 -7.894 11.007 -14.193 1.00 0.00 H new ATOM 0 HB3 ASN A 194 -8.247 9.978 -15.567 1.00 0.00 H new ATOM 0 HD21 ASN A 194 -10.718 13.242 -14.768 1.00 0.00 H new ATOM 0 HD22 ASN A 194 -9.700 12.567 -13.491 1.00 0.00 H new ATOM 119 N GLU A 195 -8.081 7.723 -12.635 1.00 0.00 N ATOM 120 CA GLU A 195 -7.353 6.466 -12.482 1.00 0.00 C ATOM 121 C GLU A 195 -7.628 5.863 -11.088 1.00 0.00 C ATOM 122 O GLU A 195 -6.742 5.864 -10.234 1.00 0.00 O ATOM 123 CB GLU A 195 -5.857 6.711 -12.773 1.00 0.00 C ATOM 124 CG GLU A 195 -5.016 5.426 -12.873 1.00 0.00 C ATOM 125 CD GLU A 195 -5.457 4.531 -14.033 1.00 0.00 C ATOM 126 OE1 GLU A 195 -4.965 4.767 -15.158 1.00 0.00 O ATOM 127 OE2 GLU A 195 -6.282 3.625 -13.778 1.00 0.00 O ATOM 0 H GLU A 195 -8.133 8.262 -11.771 1.00 0.00 H new ATOM 0 HA GLU A 195 -7.698 5.724 -13.202 1.00 0.00 H new ATOM 0 HB2 GLU A 195 -5.766 7.265 -13.707 1.00 0.00 H new ATOM 0 HB3 GLU A 195 -5.444 7.342 -11.986 1.00 0.00 H new ATOM 0 HG2 GLU A 195 -3.966 5.691 -13.000 1.00 0.00 H new ATOM 0 HG3 GLU A 195 -5.094 4.870 -11.939 1.00 0.00 H new ATOM 134 N PRO A 196 -8.858 5.376 -10.817 1.00 0.00 N ATOM 135 CA PRO A 196 -9.197 4.697 -9.567 1.00 0.00 C ATOM 136 C PRO A 196 -8.578 3.290 -9.510 1.00 0.00 C ATOM 137 O PRO A 196 -8.224 2.724 -10.546 1.00 0.00 O ATOM 138 CB PRO A 196 -10.727 4.641 -9.557 1.00 0.00 C ATOM 139 CG PRO A 196 -11.079 4.527 -11.039 1.00 0.00 C ATOM 140 CD PRO A 196 -10.004 5.375 -11.718 1.00 0.00 C ATOM 0 HA PRO A 196 -8.805 5.220 -8.695 1.00 0.00 H new ATOM 0 HB2 PRO A 196 -11.095 3.787 -8.988 1.00 0.00 H new ATOM 0 HB3 PRO A 196 -11.160 5.534 -9.107 1.00 0.00 H new ATOM 0 HG2 PRO A 196 -11.052 3.492 -11.381 1.00 0.00 H new ATOM 0 HG3 PRO A 196 -12.080 4.905 -11.246 1.00 0.00 H new ATOM 0 HD2 PRO A 196 -9.735 4.959 -12.689 1.00 0.00 H new ATOM 0 HD3 PRO A 196 -10.362 6.389 -11.894 1.00 0.00 H new ATOM 148 N THR A 197 -8.504 2.718 -8.295 1.00 0.00 N ATOM 149 CA THR A 197 -7.857 1.449 -7.941 1.00 0.00 C ATOM 150 C THR A 197 -6.335 1.478 -8.144 1.00 0.00 C ATOM 151 O THR A 197 -5.851 2.105 -9.086 1.00 0.00 O ATOM 152 CB THR A 197 -8.546 0.247 -8.592 1.00 0.00 C ATOM 153 OG1 THR A 197 -8.071 -0.015 -9.895 1.00 0.00 O ATOM 154 CG2 THR A 197 -10.080 0.304 -8.595 1.00 0.00 C ATOM 0 H THR A 197 -8.925 3.164 -7.480 1.00 0.00 H new ATOM 0 HA THR A 197 -7.992 1.317 -6.867 1.00 0.00 H new ATOM 0 HB THR A 197 -8.269 -0.582 -7.941 1.00 0.00 H new ATOM 0 HG1 THR A 197 -8.017 0.824 -10.398 1.00 0.00 H new ATOM 0 HG21 THR A 197 -10.476 -0.590 -9.077 1.00 0.00 H new ATOM 0 HG22 THR A 197 -10.444 0.355 -7.569 1.00 0.00 H new ATOM 0 HG23 THR A 197 -10.410 1.187 -9.142 1.00 0.00 H new ATOM 162 N TYR A 198 -5.564 0.832 -7.243 1.00 0.00 N ATOM 163 CA TYR A 198 -4.111 1.034 -7.241 1.00 0.00 C ATOM 164 C TYR A 198 -3.286 -0.102 -6.625 1.00 0.00 C ATOM 165 O TYR A 198 -2.228 -0.371 -7.196 1.00 0.00 O ATOM 166 CB TYR A 198 -3.705 2.344 -6.543 1.00 0.00 C ATOM 167 CG TYR A 198 -4.507 3.616 -6.795 1.00 0.00 C ATOM 168 CD1 TYR A 198 -5.741 3.828 -6.146 1.00 0.00 C ATOM 169 CD2 TYR A 198 -3.984 4.621 -7.634 1.00 0.00 C ATOM 170 CE1 TYR A 198 -6.452 5.025 -6.329 1.00 0.00 C ATOM 171 CE2 TYR A 198 -4.685 5.826 -7.818 1.00 0.00 C ATOM 172 CZ TYR A 198 -5.921 6.035 -7.164 1.00 0.00 C ATOM 173 OH TYR A 198 -6.599 7.206 -7.335 1.00 0.00 O ATOM 0 H TYR A 198 -5.914 0.189 -6.533 1.00 0.00 H new ATOM 0 HA TYR A 198 -3.876 1.068 -8.305 1.00 0.00 H new ATOM 0 HB2 TYR A 198 -3.719 2.158 -5.469 1.00 0.00 H new ATOM 0 HB3 TYR A 198 -2.671 2.552 -6.817 1.00 0.00 H new ATOM 0 HD1 TYR A 198 -6.144 3.061 -5.501 1.00 0.00 H new ATOM 0 HD2 TYR A 198 -3.041 4.465 -8.137 1.00 0.00 H new ATOM 0 HE1 TYR A 198 -7.400 5.174 -5.834 1.00 0.00 H new ATOM 0 HE2 TYR A 198 -4.278 6.593 -8.460 1.00 0.00 H new ATOM 0 HH TYR A 198 -6.095 7.791 -7.938 1.00 0.00 H new ATOM 183 N CYS A 199 -3.703 -0.782 -5.525 1.00 0.00 N ATOM 184 CA CYS A 199 -2.963 -1.978 -5.075 1.00 0.00 C ATOM 185 C CYS A 199 -2.784 -3.003 -6.204 1.00 0.00 C ATOM 186 O CYS A 199 -3.373 -2.924 -7.283 1.00 0.00 O ATOM 187 CB CYS A 199 -3.500 -2.689 -3.805 1.00 0.00 C ATOM 188 SG CYS A 199 -2.024 -3.338 -2.935 1.00 0.00 S ATOM 0 H CYS A 199 -4.513 -0.533 -4.958 1.00 0.00 H new ATOM 0 HA CYS A 199 -1.999 -1.561 -4.783 1.00 0.00 H new ATOM 0 HB2 CYS A 199 -4.053 -1.995 -3.172 1.00 0.00 H new ATOM 0 HB3 CYS A 199 -4.185 -3.495 -4.068 1.00 0.00 H new ATOM 0 HG CYS A 199 -2.035 -4.637 -2.972 1.00 0.00 H new ATOM 193 N LEU A 200 -2.016 -4.040 -5.873 1.00 0.00 N ATOM 194 CA LEU A 200 -1.810 -5.238 -6.681 1.00 0.00 C ATOM 195 C LEU A 200 -3.120 -6.011 -6.877 1.00 0.00 C ATOM 196 O LEU A 200 -3.150 -7.001 -7.605 1.00 0.00 O ATOM 197 CB LEU A 200 -0.757 -6.154 -6.021 1.00 0.00 C ATOM 198 CG LEU A 200 0.428 -5.440 -5.340 1.00 0.00 C ATOM 199 CD1 LEU A 200 1.336 -6.464 -4.648 1.00 0.00 C ATOM 200 CD2 LEU A 200 1.258 -4.599 -6.322 1.00 0.00 C ATOM 0 H LEU A 200 -1.498 -4.068 -4.995 1.00 0.00 H new ATOM 0 HA LEU A 200 -1.451 -4.921 -7.660 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -1.258 -6.773 -5.277 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -0.361 -6.827 -6.782 1.00 0.00 H new ATOM 0 HG LEU A 200 0.003 -4.758 -4.604 1.00 0.00 H new ATOM 0 HD11 LEU A 200 2.169 -5.948 -4.171 1.00 0.00 H new ATOM 0 HD12 LEU A 200 0.765 -7.006 -3.894 1.00 0.00 H new ATOM 0 HD13 LEU A 200 1.720 -7.167 -5.387 1.00 0.00 H new ATOM 0 HD21 LEU A 200 2.078 -4.120 -5.788 1.00 0.00 H new ATOM 0 HD22 LEU A 200 1.661 -5.244 -7.103 1.00 0.00 H new ATOM 0 HD23 LEU A 200 0.624 -3.836 -6.774 1.00 0.00 H new ATOM 212 N CYS A 201 -4.193 -5.554 -6.217 1.00 0.00 N ATOM 213 CA CYS A 201 -5.514 -6.113 -6.262 1.00 0.00 C ATOM 214 C CYS A 201 -6.448 -5.346 -7.203 1.00 0.00 C ATOM 215 O CYS A 201 -7.541 -5.839 -7.479 1.00 0.00 O ATOM 216 CB CYS A 201 -6.051 -5.996 -4.849 1.00 0.00 C ATOM 217 SG CYS A 201 -5.240 -7.154 -3.719 1.00 0.00 S ATOM 0 H CYS A 201 -4.139 -4.737 -5.608 1.00 0.00 H new ATOM 0 HA CYS A 201 -5.468 -7.137 -6.632 1.00 0.00 H new ATOM 0 HB2 CYS A 201 -5.907 -4.977 -4.489 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -7.125 -6.184 -4.852 1.00 0.00 H new ATOM 222 N HIS A 202 -6.030 -4.148 -7.652 1.00 0.00 N ATOM 223 CA HIS A 202 -6.792 -3.205 -8.461 1.00 0.00 C ATOM 224 C HIS A 202 -8.224 -3.022 -7.936 1.00 0.00 C ATOM 225 O HIS A 202 -9.198 -3.114 -8.682 1.00 0.00 O ATOM 226 CB HIS A 202 -6.657 -3.518 -9.964 1.00 0.00 C ATOM 227 CG HIS A 202 -7.109 -4.896 -10.385 1.00 0.00 C ATOM 228 ND1 HIS A 202 -8.406 -5.302 -10.600 1.00 0.00 N ATOM 229 CD2 HIS A 202 -6.307 -5.985 -10.605 1.00 0.00 C ATOM 230 CE1 HIS A 202 -8.381 -6.604 -10.932 1.00 0.00 C ATOM 231 NE2 HIS A 202 -7.120 -7.069 -10.950 1.00 0.00 N ATOM 0 H HIS A 202 -5.094 -3.801 -7.442 1.00 0.00 H new ATOM 0 HA HIS A 202 -6.355 -2.212 -8.354 1.00 0.00 H new ATOM 0 HB2 HIS A 202 -7.231 -2.780 -10.524 1.00 0.00 H new ATOM 0 HB3 HIS A 202 -5.613 -3.394 -10.251 1.00 0.00 H new ATOM 0 HD2 HIS A 202 -5.230 -6.003 -10.525 1.00 0.00 H new ATOM 0 HE1 HIS A 202 -9.256 -7.197 -11.154 1.00 0.00 H new ATOM 0 HE2 HIS A 202 -6.818 -8.018 -11.170 1.00 0.00 H new ATOM 239 N GLN A 203 -8.327 -2.760 -6.622 1.00 0.00 N ATOM 240 CA GLN A 203 -9.567 -2.453 -5.921 1.00 0.00 C ATOM 241 C GLN A 203 -9.197 -1.853 -4.565 1.00 0.00 C ATOM 242 O GLN A 203 -8.176 -2.223 -3.991 1.00 0.00 O ATOM 243 CB GLN A 203 -10.442 -3.712 -5.754 1.00 0.00 C ATOM 244 CG GLN A 203 -9.830 -4.776 -4.831 1.00 0.00 C ATOM 245 CD GLN A 203 -10.502 -6.137 -4.994 1.00 0.00 C ATOM 246 OE1 GLN A 203 -11.385 -6.498 -4.222 1.00 0.00 O ATOM 247 NE2 GLN A 203 -10.080 -6.906 -5.997 1.00 0.00 N ATOM 0 H GLN A 203 -7.515 -2.758 -6.005 1.00 0.00 H new ATOM 0 HA GLN A 203 -10.157 -1.741 -6.498 1.00 0.00 H new ATOM 0 HB2 GLN A 203 -11.414 -3.417 -5.358 1.00 0.00 H new ATOM 0 HB3 GLN A 203 -10.618 -4.153 -6.735 1.00 0.00 H new ATOM 0 HG2 GLN A 203 -8.765 -4.871 -5.045 1.00 0.00 H new ATOM 0 HG3 GLN A 203 -9.920 -4.450 -3.795 1.00 0.00 H new ATOM 0 HE21 GLN A 203 -9.344 -6.574 -6.620 1.00 0.00 H new ATOM 0 HE22 GLN A 203 -10.493 -7.827 -6.142 1.00 0.00 H new ATOM 256 N VAL A 204 -10.051 -0.953 -4.073 1.00 0.00 N ATOM 257 CA VAL A 204 -9.960 -0.254 -2.775 1.00 0.00 C ATOM 258 C VAL A 204 -11.315 -0.295 -2.031 1.00 0.00 C ATOM 259 O VAL A 204 -12.309 -0.775 -2.574 1.00 0.00 O ATOM 260 CB VAL A 204 -9.400 1.193 -2.908 1.00 0.00 C ATOM 261 CG1 VAL A 204 -8.576 1.590 -1.660 1.00 0.00 C ATOM 262 CG2 VAL A 204 -8.534 1.404 -4.159 1.00 0.00 C ATOM 0 H VAL A 204 -10.879 -0.670 -4.598 1.00 0.00 H new ATOM 0 HA VAL A 204 -9.233 -0.794 -2.168 1.00 0.00 H new ATOM 0 HB VAL A 204 -10.279 1.831 -3.001 1.00 0.00 H new ATOM 0 HG11 VAL A 204 -8.198 2.605 -1.781 1.00 0.00 H new ATOM 0 HG12 VAL A 204 -9.210 1.543 -0.775 1.00 0.00 H new ATOM 0 HG13 VAL A 204 -7.738 0.902 -1.543 1.00 0.00 H new ATOM 0 HG21 VAL A 204 -8.179 2.434 -4.186 1.00 0.00 H new ATOM 0 HG22 VAL A 204 -7.681 0.726 -4.129 1.00 0.00 H new ATOM 0 HG23 VAL A 204 -9.127 1.202 -5.051 1.00 0.00 H new ATOM 272 N SER A 205 -11.339 0.198 -0.779 1.00 0.00 N ATOM 273 CA SER A 205 -12.474 0.170 0.154 1.00 0.00 C ATOM 274 C SER A 205 -12.895 -1.261 0.544 1.00 0.00 C ATOM 275 O SER A 205 -13.995 -1.715 0.229 1.00 0.00 O ATOM 276 CB SER A 205 -13.618 1.060 -0.356 1.00 0.00 C ATOM 277 OG SER A 205 -14.552 1.311 0.675 1.00 0.00 O ATOM 0 H SER A 205 -10.521 0.651 -0.372 1.00 0.00 H new ATOM 0 HA SER A 205 -12.149 0.606 1.099 1.00 0.00 H new ATOM 0 HB2 SER A 205 -13.215 2.003 -0.726 1.00 0.00 H new ATOM 0 HB3 SER A 205 -14.117 0.575 -1.195 1.00 0.00 H new ATOM 0 HG SER A 205 -15.272 1.880 0.332 1.00 0.00 H new ATOM 283 N TYR A 206 -11.974 -1.978 1.204 1.00 0.00 N ATOM 284 CA TYR A 206 -12.078 -3.386 1.592 1.00 0.00 C ATOM 285 C TYR A 206 -11.017 -3.671 2.664 1.00 0.00 C ATOM 286 O TYR A 206 -9.817 -3.688 2.384 1.00 0.00 O ATOM 287 CB TYR A 206 -11.938 -4.344 0.382 1.00 0.00 C ATOM 288 CG TYR A 206 -10.592 -4.411 -0.339 1.00 0.00 C ATOM 289 CD1 TYR A 206 -9.913 -3.230 -0.679 1.00 0.00 C ATOM 290 CD2 TYR A 206 -10.000 -5.652 -0.669 1.00 0.00 C ATOM 291 CE1 TYR A 206 -8.660 -3.271 -1.275 1.00 0.00 C ATOM 292 CE2 TYR A 206 -8.748 -5.701 -1.321 1.00 0.00 C ATOM 293 CZ TYR A 206 -8.071 -4.495 -1.620 1.00 0.00 C ATOM 294 OH TYR A 206 -6.874 -4.440 -2.268 1.00 0.00 O ATOM 0 H TYR A 206 -11.088 -1.565 1.496 1.00 0.00 H new ATOM 0 HA TYR A 206 -13.073 -3.570 1.997 1.00 0.00 H new ATOM 0 HB2 TYR A 206 -12.182 -5.350 0.725 1.00 0.00 H new ATOM 0 HB3 TYR A 206 -12.694 -4.065 -0.352 1.00 0.00 H new ATOM 0 HD1 TYR A 206 -10.373 -2.275 -0.474 1.00 0.00 H new ATOM 0 HD2 TYR A 206 -10.510 -6.571 -0.420 1.00 0.00 H new ATOM 0 HE1 TYR A 206 -8.133 -2.350 -1.475 1.00 0.00 H new ATOM 0 HE2 TYR A 206 -8.311 -6.651 -1.589 1.00 0.00 H new ATOM 304 N GLY A 207 -11.466 -3.861 3.910 1.00 0.00 N ATOM 305 CA GLY A 207 -10.615 -4.032 5.066 1.00 0.00 C ATOM 306 C GLY A 207 -9.738 -2.812 5.341 1.00 0.00 C ATOM 307 O GLY A 207 -9.945 -1.705 4.843 1.00 0.00 O ATOM 0 H GLY A 207 -12.460 -3.899 4.135 1.00 0.00 H new ATOM 0 HA2 GLY A 207 -11.234 -4.233 5.940 1.00 0.00 H new ATOM 0 HA3 GLY A 207 -9.979 -4.905 4.918 1.00 0.00 H new ATOM 311 N GLU A 208 -8.747 -3.093 6.174 1.00 0.00 N ATOM 312 CA GLU A 208 -7.603 -2.248 6.506 1.00 0.00 C ATOM 313 C GLU A 208 -6.690 -2.023 5.283 1.00 0.00 C ATOM 314 O GLU A 208 -6.609 -2.861 4.384 1.00 0.00 O ATOM 315 CB GLU A 208 -6.857 -2.819 7.731 1.00 0.00 C ATOM 316 CG GLU A 208 -6.603 -4.340 7.751 1.00 0.00 C ATOM 317 CD GLU A 208 -7.834 -5.171 8.129 1.00 0.00 C ATOM 318 OE1 GLU A 208 -8.223 -5.114 9.316 1.00 0.00 O ATOM 319 OE2 GLU A 208 -8.372 -5.843 7.220 1.00 0.00 O ATOM 0 H GLU A 208 -8.717 -3.982 6.673 1.00 0.00 H new ATOM 0 HA GLU A 208 -7.963 -1.258 6.786 1.00 0.00 H new ATOM 0 HB2 GLU A 208 -5.894 -2.314 7.807 1.00 0.00 H new ATOM 0 HB3 GLU A 208 -7.424 -2.559 8.625 1.00 0.00 H new ATOM 0 HG2 GLU A 208 -6.254 -4.653 6.767 1.00 0.00 H new ATOM 0 HG3 GLU A 208 -5.801 -4.555 8.457 1.00 0.00 H new ATOM 326 N MET A 209 -6.022 -0.858 5.253 1.00 0.00 N ATOM 327 CA MET A 209 -5.307 -0.303 4.093 1.00 0.00 C ATOM 328 C MET A 209 -4.110 0.548 4.549 1.00 0.00 C ATOM 329 O MET A 209 -4.082 1.011 5.690 1.00 0.00 O ATOM 330 CB MET A 209 -6.300 0.578 3.306 1.00 0.00 C ATOM 331 CG MET A 209 -7.504 -0.213 2.767 1.00 0.00 C ATOM 332 SD MET A 209 -8.629 0.686 1.674 1.00 0.00 S ATOM 333 CE MET A 209 -9.376 1.843 2.849 1.00 0.00 C ATOM 0 H MET A 209 -5.963 -0.252 6.071 1.00 0.00 H new ATOM 0 HA MET A 209 -4.927 -1.112 3.470 1.00 0.00 H new ATOM 0 HB2 MET A 209 -6.658 1.379 3.952 1.00 0.00 H new ATOM 0 HB3 MET A 209 -5.779 1.049 2.473 1.00 0.00 H new ATOM 0 HG2 MET A 209 -7.128 -1.084 2.230 1.00 0.00 H new ATOM 0 HG3 MET A 209 -8.077 -0.585 3.616 1.00 0.00 H new ATOM 0 HE1 MET A 209 -10.111 2.461 2.333 1.00 0.00 H new ATOM 0 HE2 MET A 209 -9.867 1.285 3.647 1.00 0.00 H new ATOM 0 HE3 MET A 209 -8.601 2.480 3.275 1.00 0.00 H new ATOM 343 N ILE A 210 -3.134 0.771 3.649 1.00 0.00 N ATOM 344 CA ILE A 210 -1.912 1.525 3.933 1.00 0.00 C ATOM 345 C ILE A 210 -1.590 2.440 2.739 1.00 0.00 C ATOM 346 O ILE A 210 -2.471 3.154 2.262 1.00 0.00 O ATOM 347 CB ILE A 210 -0.789 0.569 4.448 1.00 0.00 C ATOM 348 CG1 ILE A 210 0.447 1.243 5.097 1.00 0.00 C ATOM 349 CG2 ILE A 210 -0.315 -0.529 3.478 1.00 0.00 C ATOM 350 CD1 ILE A 210 0.113 2.232 6.218 1.00 0.00 C ATOM 0 H ILE A 210 -3.179 0.424 2.691 1.00 0.00 H new ATOM 0 HA ILE A 210 -2.033 2.217 4.766 1.00 0.00 H new ATOM 0 HB ILE A 210 -1.355 0.080 5.241 1.00 0.00 H new ATOM 0 HG12 ILE A 210 1.101 0.467 5.496 1.00 0.00 H new ATOM 0 HG13 ILE A 210 1.009 1.766 4.323 1.00 0.00 H new ATOM 0 HG21 ILE A 210 0.465 -1.123 3.954 1.00 0.00 H new ATOM 0 HG22 ILE A 210 -1.155 -1.173 3.219 1.00 0.00 H new ATOM 0 HG23 ILE A 210 0.081 -0.069 2.573 1.00 0.00 H new ATOM 0 HD11 ILE A 210 1.035 2.656 6.615 1.00 0.00 H new ATOM 0 HD12 ILE A 210 -0.514 3.032 5.823 1.00 0.00 H new ATOM 0 HD13 ILE A 210 -0.420 1.713 7.014 1.00 0.00 H new ATOM 362 N GLY A 211 -0.333 2.458 2.303 1.00 0.00 N ATOM 363 CA GLY A 211 0.235 3.391 1.345 1.00 0.00 C ATOM 364 C GLY A 211 1.684 3.733 1.630 1.00 0.00 C ATOM 365 O GLY A 211 2.044 4.045 2.764 1.00 0.00 O ATOM 0 H GLY A 211 0.354 1.779 2.631 1.00 0.00 H new ATOM 0 HA2 GLY A 211 0.159 2.965 0.344 1.00 0.00 H new ATOM 0 HA3 GLY A 211 -0.355 4.308 1.347 1.00 0.00 H new ATOM 369 N CYS A 212 2.496 3.672 0.564 1.00 0.00 N ATOM 370 CA CYS A 212 3.920 3.998 0.631 1.00 0.00 C ATOM 371 C CYS A 212 4.069 5.482 0.968 1.00 0.00 C ATOM 372 O CYS A 212 3.564 6.329 0.231 1.00 0.00 O ATOM 373 CB CYS A 212 4.721 3.623 -0.641 1.00 0.00 C ATOM 374 SG CYS A 212 6.479 3.630 -0.159 1.00 0.00 S ATOM 0 H CYS A 212 2.180 3.395 -0.366 1.00 0.00 H new ATOM 0 HA CYS A 212 4.357 3.383 1.418 1.00 0.00 H new ATOM 0 HB2 CYS A 212 4.424 2.642 -1.013 1.00 0.00 H new ATOM 0 HB3 CYS A 212 4.535 4.338 -1.443 1.00 0.00 H new ATOM 0 HG CYS A 212 7.220 3.501 -1.219 1.00 0.00 H new ATOM 379 N ASP A 213 4.803 5.779 2.052 1.00 0.00 N ATOM 380 CA ASP A 213 5.183 7.131 2.468 1.00 0.00 C ATOM 381 C ASP A 213 6.137 7.828 1.469 1.00 0.00 C ATOM 382 O ASP A 213 6.600 8.937 1.729 1.00 0.00 O ATOM 383 CB ASP A 213 5.781 7.067 3.881 1.00 0.00 C ATOM 384 CG ASP A 213 4.744 6.700 4.947 1.00 0.00 C ATOM 385 OD1 ASP A 213 4.395 5.504 5.032 1.00 0.00 O ATOM 386 OD2 ASP A 213 4.341 7.623 5.686 1.00 0.00 O ATOM 0 H ASP A 213 5.158 5.059 2.681 1.00 0.00 H new ATOM 0 HA ASP A 213 4.285 7.749 2.479 1.00 0.00 H new ATOM 0 HB2 ASP A 213 6.587 6.334 3.897 1.00 0.00 H new ATOM 0 HB3 ASP A 213 6.223 8.032 4.128 1.00 0.00 H new ATOM 391 N ASP A 214 6.423 7.170 0.336 1.00 0.00 N ATOM 392 CA ASP A 214 7.068 7.673 -0.863 1.00 0.00 C ATOM 393 C ASP A 214 6.197 8.808 -1.424 1.00 0.00 C ATOM 394 O ASP A 214 5.083 8.532 -1.873 1.00 0.00 O ATOM 395 CB ASP A 214 7.124 6.437 -1.775 1.00 0.00 C ATOM 396 CG ASP A 214 7.423 6.596 -3.254 1.00 0.00 C ATOM 397 OD1 ASP A 214 7.999 7.628 -3.655 1.00 0.00 O ATOM 398 OD2 ASP A 214 7.019 5.628 -3.950 1.00 0.00 O ATOM 0 H ASP A 214 6.183 6.184 0.238 1.00 0.00 H new ATOM 0 HA ASP A 214 8.064 8.094 -0.728 1.00 0.00 H new ATOM 0 HB2 ASP A 214 7.876 5.765 -1.363 1.00 0.00 H new ATOM 0 HB3 ASP A 214 6.163 5.929 -1.692 1.00 0.00 H new ATOM 403 N PRO A 215 6.660 10.075 -1.397 1.00 0.00 N ATOM 404 CA PRO A 215 5.875 11.228 -1.837 1.00 0.00 C ATOM 405 C PRO A 215 5.834 11.377 -3.367 1.00 0.00 C ATOM 406 O PRO A 215 5.378 12.401 -3.877 1.00 0.00 O ATOM 407 CB PRO A 215 6.541 12.427 -1.154 1.00 0.00 C ATOM 408 CG PRO A 215 8.015 12.028 -1.158 1.00 0.00 C ATOM 409 CD PRO A 215 7.963 10.518 -0.917 1.00 0.00 C ATOM 0 HA PRO A 215 4.825 11.127 -1.561 1.00 0.00 H new ATOM 0 HB2 PRO A 215 6.369 13.354 -1.702 1.00 0.00 H new ATOM 0 HB3 PRO A 215 6.164 12.580 -0.143 1.00 0.00 H new ATOM 0 HG2 PRO A 215 8.496 12.269 -2.106 1.00 0.00 H new ATOM 0 HG3 PRO A 215 8.575 12.542 -0.377 1.00 0.00 H new ATOM 0 HD2 PRO A 215 8.767 10.011 -1.450 1.00 0.00 H new ATOM 0 HD3 PRO A 215 8.087 10.288 0.141 1.00 0.00 H new ATOM 417 N ASP A 216 6.284 10.342 -4.083 1.00 0.00 N ATOM 418 CA ASP A 216 6.230 10.213 -5.531 1.00 0.00 C ATOM 419 C ASP A 216 5.613 8.855 -5.911 1.00 0.00 C ATOM 420 O ASP A 216 5.612 8.495 -7.089 1.00 0.00 O ATOM 421 CB ASP A 216 7.648 10.422 -6.092 1.00 0.00 C ATOM 422 CG ASP A 216 7.679 10.567 -7.615 1.00 0.00 C ATOM 423 OD1 ASP A 216 7.035 11.517 -8.113 1.00 0.00 O ATOM 424 OD2 ASP A 216 8.357 9.735 -8.257 1.00 0.00 O ATOM 0 H ASP A 216 6.717 9.532 -3.639 1.00 0.00 H new ATOM 0 HA ASP A 216 5.586 10.973 -5.974 1.00 0.00 H new ATOM 0 HB2 ASP A 216 8.083 11.313 -5.640 1.00 0.00 H new ATOM 0 HB3 ASP A 216 8.275 9.579 -5.801 1.00 0.00 H new ATOM 429 N CYS A 217 5.073 8.098 -4.931 1.00 0.00 N ATOM 430 CA CYS A 217 4.407 6.834 -5.185 1.00 0.00 C ATOM 431 C CYS A 217 3.242 6.997 -6.167 1.00 0.00 C ATOM 432 O CYS A 217 2.248 7.664 -5.887 1.00 0.00 O ATOM 433 CB CYS A 217 3.931 6.248 -3.861 1.00 0.00 C ATOM 434 SG CYS A 217 3.489 4.508 -4.074 1.00 0.00 S ATOM 0 H CYS A 217 5.095 8.360 -3.946 1.00 0.00 H new ATOM 0 HA CYS A 217 5.116 6.149 -5.650 1.00 0.00 H new ATOM 0 HB2 CYS A 217 4.715 6.343 -3.110 1.00 0.00 H new ATOM 0 HB3 CYS A 217 3.070 6.808 -3.495 1.00 0.00 H new ATOM 440 N SER A 218 3.399 6.330 -7.312 1.00 0.00 N ATOM 441 CA SER A 218 2.446 6.285 -8.425 1.00 0.00 C ATOM 442 C SER A 218 1.292 5.299 -8.172 1.00 0.00 C ATOM 443 O SER A 218 0.479 5.059 -9.063 1.00 0.00 O ATOM 444 CB SER A 218 3.203 5.914 -9.708 1.00 0.00 C ATOM 445 OG SER A 218 4.143 6.918 -10.036 1.00 0.00 O ATOM 0 H SER A 218 4.236 5.778 -7.498 1.00 0.00 H new ATOM 0 HA SER A 218 1.991 7.270 -8.527 1.00 0.00 H new ATOM 0 HB2 SER A 218 3.713 4.960 -9.573 1.00 0.00 H new ATOM 0 HB3 SER A 218 2.498 5.785 -10.529 1.00 0.00 H new ATOM 0 HG SER A 218 4.618 6.666 -10.855 1.00 0.00 H new ATOM 451 N ILE A 219 1.228 4.733 -6.958 1.00 0.00 N ATOM 452 CA ILE A 219 0.244 3.758 -6.506 1.00 0.00 C ATOM 453 C ILE A 219 -0.464 4.307 -5.253 1.00 0.00 C ATOM 454 O ILE A 219 -1.672 4.148 -5.118 1.00 0.00 O ATOM 455 CB ILE A 219 0.981 2.425 -6.243 1.00 0.00 C ATOM 456 CG1 ILE A 219 1.679 1.821 -7.484 1.00 0.00 C ATOM 457 CG2 ILE A 219 0.042 1.404 -5.597 1.00 0.00 C ATOM 458 CD1 ILE A 219 0.733 1.340 -8.588 1.00 0.00 C ATOM 0 H ILE A 219 1.904 4.961 -6.229 1.00 0.00 H new ATOM 0 HA ILE A 219 -0.527 3.576 -7.255 1.00 0.00 H new ATOM 0 HB ILE A 219 1.786 2.671 -5.550 1.00 0.00 H new ATOM 0 HG12 ILE A 219 2.352 2.569 -7.903 1.00 0.00 H new ATOM 0 HG13 ILE A 219 2.295 0.981 -7.163 1.00 0.00 H new ATOM 0 HG21 ILE A 219 0.582 0.474 -5.421 1.00 0.00 H new ATOM 0 HG22 ILE A 219 -0.324 1.796 -4.648 1.00 0.00 H new ATOM 0 HG23 ILE A 219 -0.801 1.214 -6.261 1.00 0.00 H new ATOM 0 HD11 ILE A 219 1.316 0.933 -9.415 1.00 0.00 H new ATOM 0 HD12 ILE A 219 0.076 0.566 -8.192 1.00 0.00 H new ATOM 0 HD13 ILE A 219 0.134 2.178 -8.944 1.00 0.00 H new ATOM 470 N GLU A 220 0.290 5.006 -4.391 1.00 0.00 N ATOM 471 CA GLU A 220 -0.130 5.822 -3.242 1.00 0.00 C ATOM 472 C GLU A 220 -0.752 5.067 -2.055 1.00 0.00 C ATOM 473 O GLU A 220 -0.665 5.551 -0.928 1.00 0.00 O ATOM 474 CB GLU A 220 -0.933 7.053 -3.727 1.00 0.00 C ATOM 475 CG GLU A 220 -2.465 7.016 -3.564 1.00 0.00 C ATOM 476 CD GLU A 220 -2.988 7.421 -2.178 1.00 0.00 C ATOM 477 OE1 GLU A 220 -2.332 8.250 -1.510 1.00 0.00 O ATOM 478 OE2 GLU A 220 -4.074 6.916 -1.819 1.00 0.00 O ATOM 0 H GLU A 220 1.305 5.015 -4.490 1.00 0.00 H new ATOM 0 HA GLU A 220 0.788 6.182 -2.777 1.00 0.00 H new ATOM 0 HB2 GLU A 220 -0.560 7.928 -3.195 1.00 0.00 H new ATOM 0 HB3 GLU A 220 -0.711 7.204 -4.784 1.00 0.00 H new ATOM 0 HG2 GLU A 220 -2.909 7.676 -4.309 1.00 0.00 H new ATOM 0 HG3 GLU A 220 -2.813 6.007 -3.785 1.00 0.00 H new ATOM 485 N TRP A 221 -1.317 3.876 -2.283 1.00 0.00 N ATOM 486 CA TRP A 221 -1.965 3.038 -1.283 1.00 0.00 C ATOM 487 C TRP A 221 -1.756 1.561 -1.651 1.00 0.00 C ATOM 488 O TRP A 221 -1.680 1.201 -2.826 1.00 0.00 O ATOM 489 CB TRP A 221 -3.438 3.427 -1.144 1.00 0.00 C ATOM 490 CG TRP A 221 -4.360 2.514 -1.836 1.00 0.00 C ATOM 491 CD1 TRP A 221 -4.735 2.579 -3.123 1.00 0.00 C ATOM 492 CD2 TRP A 221 -4.860 1.267 -1.309 1.00 0.00 C ATOM 493 NE1 TRP A 221 -5.380 1.406 -3.454 1.00 0.00 N ATOM 494 CE2 TRP A 221 -5.442 0.540 -2.379 1.00 0.00 C ATOM 495 CE3 TRP A 221 -4.766 0.649 -0.047 1.00 0.00 C ATOM 496 CZ2 TRP A 221 -5.899 -0.771 -2.204 1.00 0.00 C ATOM 497 CZ3 TRP A 221 -5.278 -0.642 0.145 1.00 0.00 C ATOM 498 CH2 TRP A 221 -5.807 -1.364 -0.932 1.00 0.00 C ATOM 0 H TRP A 221 -1.333 3.457 -3.213 1.00 0.00 H new ATOM 0 HA TRP A 221 -1.516 3.193 -0.302 1.00 0.00 H new ATOM 0 HB2 TRP A 221 -3.698 3.458 -0.086 1.00 0.00 H new ATOM 0 HB3 TRP A 221 -3.577 4.435 -1.536 1.00 0.00 H new ATOM 0 HD1 TRP A 221 -4.561 3.411 -3.789 1.00 0.00 H new ATOM 0 HE1 TRP A 221 -5.763 1.203 -4.377 1.00 0.00 H new ATOM 0 HE3 TRP A 221 -4.298 1.171 0.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 221 -6.317 -1.320 -3.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 221 -5.264 -1.083 1.131 1.00 0.00 H new ATOM 0 HH2 TRP A 221 -6.145 -2.379 -0.785 1.00 0.00 H new ATOM 509 N PHE A 222 -1.704 0.699 -0.634 1.00 0.00 N ATOM 510 CA PHE A 222 -1.466 -0.738 -0.782 1.00 0.00 C ATOM 511 C PHE A 222 -2.230 -1.463 0.312 1.00 0.00 C ATOM 512 O PHE A 222 -2.542 -0.891 1.354 1.00 0.00 O ATOM 513 CB PHE A 222 0.021 -1.079 -0.620 1.00 0.00 C ATOM 514 CG PHE A 222 0.921 -0.512 -1.691 1.00 0.00 C ATOM 515 CD1 PHE A 222 1.362 0.816 -1.581 1.00 0.00 C ATOM 516 CD2 PHE A 222 1.305 -1.293 -2.798 1.00 0.00 C ATOM 517 CE1 PHE A 222 2.136 1.391 -2.592 1.00 0.00 C ATOM 518 CE2 PHE A 222 2.111 -0.728 -3.800 1.00 0.00 C ATOM 519 CZ PHE A 222 2.509 0.617 -3.699 1.00 0.00 C ATOM 0 H PHE A 222 -1.829 0.987 0.337 1.00 0.00 H new ATOM 0 HA PHE A 222 -1.792 -1.041 -1.777 1.00 0.00 H new ATOM 0 HB2 PHE A 222 0.359 -0.714 0.350 1.00 0.00 H new ATOM 0 HB3 PHE A 222 0.132 -2.163 -0.609 1.00 0.00 H new ATOM 0 HD1 PHE A 222 1.101 1.397 -0.709 1.00 0.00 H new ATOM 0 HD2 PHE A 222 0.982 -2.320 -2.876 1.00 0.00 H new ATOM 0 HE1 PHE A 222 2.444 2.424 -2.521 1.00 0.00 H new ATOM 0 HE2 PHE A 222 2.424 -1.324 -4.645 1.00 0.00 H new ATOM 0 HZ PHE A 222 3.108 1.058 -4.482 1.00 0.00 H new ATOM 529 N HIS A 223 -2.521 -2.740 0.075 1.00 0.00 N ATOM 530 CA HIS A 223 -3.335 -3.529 0.975 1.00 0.00 C ATOM 531 C HIS A 223 -2.477 -4.080 2.115 1.00 0.00 C ATOM 532 O HIS A 223 -1.334 -4.486 1.916 1.00 0.00 O ATOM 533 CB HIS A 223 -4.041 -4.613 0.155 1.00 0.00 C ATOM 534 CG HIS A 223 -5.286 -5.195 0.769 1.00 0.00 C ATOM 535 ND1 HIS A 223 -6.188 -4.544 1.562 1.00 0.00 N flip ATOM 536 CD2 HIS A 223 -5.747 -6.483 0.505 1.00 0.00 C flip ATOM 537 CE1 HIS A 223 -7.191 -5.443 1.826 1.00 0.00 C flip ATOM 538 NE2 HIS A 223 -6.898 -6.592 1.190 1.00 0.00 N flip ATOM 0 H HIS A 223 -2.196 -3.249 -0.747 1.00 0.00 H new ATOM 0 HA HIS A 223 -4.104 -2.922 1.453 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -4.300 -4.195 -0.818 1.00 0.00 H new ATOM 0 HB3 HIS A 223 -3.335 -5.423 -0.025 1.00 0.00 H new ATOM 0 HD2 HIS A 223 -5.280 -7.233 -0.116 1.00 0.00 H new ATOM 0 HE1 HIS A 223 -8.063 -5.260 2.437 1.00 0.00 H new ATOM 0 HE2 HIS A 223 -7.473 -7.434 1.223 1.00 0.00 H new ATOM 546 N PHE A 224 -3.088 -4.120 3.301 1.00 0.00 N ATOM 547 CA PHE A 224 -2.603 -4.776 4.521 1.00 0.00 C ATOM 548 C PHE A 224 -2.351 -6.287 4.363 1.00 0.00 C ATOM 549 O PHE A 224 -1.847 -6.905 5.298 1.00 0.00 O ATOM 550 CB PHE A 224 -3.619 -4.537 5.651 1.00 0.00 C ATOM 551 CG PHE A 224 -3.210 -3.555 6.732 1.00 0.00 C ATOM 552 CD1 PHE A 224 -2.859 -2.230 6.408 1.00 0.00 C ATOM 553 CD2 PHE A 224 -3.277 -3.945 8.083 1.00 0.00 C ATOM 554 CE1 PHE A 224 -2.594 -1.303 7.434 1.00 0.00 C ATOM 555 CE2 PHE A 224 -3.058 -3.007 9.103 1.00 0.00 C ATOM 556 CZ PHE A 224 -2.709 -1.686 8.780 1.00 0.00 C ATOM 0 H PHE A 224 -3.991 -3.668 3.446 1.00 0.00 H new ATOM 0 HA PHE A 224 -1.635 -4.333 4.754 1.00 0.00 H new ATOM 0 HB2 PHE A 224 -4.549 -4.185 5.205 1.00 0.00 H new ATOM 0 HB3 PHE A 224 -3.835 -5.495 6.124 1.00 0.00 H new ATOM 0 HD1 PHE A 224 -2.793 -1.926 5.374 1.00 0.00 H new ATOM 0 HD2 PHE A 224 -3.498 -4.972 8.336 1.00 0.00 H new ATOM 0 HE1 PHE A 224 -2.301 -0.294 7.185 1.00 0.00 H new ATOM 0 HE2 PHE A 224 -3.158 -3.301 10.137 1.00 0.00 H new ATOM 0 HZ PHE A 224 -2.529 -0.966 9.565 1.00 0.00 H new ATOM 566 N ALA A 225 -2.671 -6.874 3.200 1.00 0.00 N ATOM 567 CA ALA A 225 -2.374 -8.248 2.845 1.00 0.00 C ATOM 568 C ALA A 225 -1.559 -8.351 1.546 1.00 0.00 C ATOM 569 O ALA A 225 -1.044 -9.430 1.256 1.00 0.00 O ATOM 570 CB ALA A 225 -3.678 -9.047 2.772 1.00 0.00 C ATOM 0 H ALA A 225 -3.163 -6.375 2.459 1.00 0.00 H new ATOM 0 HA ALA A 225 -1.743 -8.678 3.622 1.00 0.00 H new ATOM 0 HB1 ALA A 225 -3.457 -10.080 2.505 1.00 0.00 H new ATOM 0 HB2 ALA A 225 -4.175 -9.021 3.742 1.00 0.00 H new ATOM 0 HB3 ALA A 225 -4.331 -8.609 2.017 1.00 0.00 H new ATOM 576 N CYS A 226 -1.376 -7.245 0.800 1.00 0.00 N ATOM 577 CA CYS A 226 -0.426 -7.176 -0.310 1.00 0.00 C ATOM 578 C CYS A 226 1.032 -7.016 0.162 1.00 0.00 C ATOM 579 O CYS A 226 1.947 -7.006 -0.661 1.00 0.00 O ATOM 580 CB CYS A 226 -0.832 -6.051 -1.240 1.00 0.00 C ATOM 581 SG CYS A 226 -2.104 -6.654 -2.382 1.00 0.00 S ATOM 0 H CYS A 226 -1.887 -6.376 0.956 1.00 0.00 H new ATOM 0 HA CYS A 226 -0.460 -8.125 -0.846 1.00 0.00 H new ATOM 0 HB2 CYS A 226 -1.213 -5.207 -0.665 1.00 0.00 H new ATOM 0 HB3 CYS A 226 0.034 -5.693 -1.797 1.00 0.00 H new ATOM 0 HG CYS A 226 -3.240 -6.087 -2.104 1.00 0.00 H new ATOM 587 N VAL A 227 1.234 -6.928 1.482 1.00 0.00 N ATOM 588 CA VAL A 227 2.520 -6.949 2.177 1.00 0.00 C ATOM 589 C VAL A 227 2.488 -7.935 3.368 1.00 0.00 C ATOM 590 O VAL A 227 3.494 -8.121 4.050 1.00 0.00 O ATOM 591 CB VAL A 227 2.896 -5.503 2.563 1.00 0.00 C ATOM 592 CG1 VAL A 227 1.919 -4.918 3.594 1.00 0.00 C ATOM 593 CG2 VAL A 227 4.346 -5.374 3.060 1.00 0.00 C ATOM 0 H VAL A 227 0.453 -6.834 2.131 1.00 0.00 H new ATOM 0 HA VAL A 227 3.307 -7.325 1.524 1.00 0.00 H new ATOM 0 HB VAL A 227 2.818 -4.920 1.645 1.00 0.00 H new ATOM 0 HG11 VAL A 227 2.217 -3.899 3.840 1.00 0.00 H new ATOM 0 HG12 VAL A 227 0.912 -4.911 3.177 1.00 0.00 H new ATOM 0 HG13 VAL A 227 1.934 -5.529 4.497 1.00 0.00 H new ATOM 0 HG21 VAL A 227 4.552 -4.335 3.316 1.00 0.00 H new ATOM 0 HG22 VAL A 227 4.485 -6.000 3.942 1.00 0.00 H new ATOM 0 HG23 VAL A 227 5.030 -5.696 2.275 1.00 0.00 H new ATOM 603 N GLY A 228 1.334 -8.577 3.603 1.00 0.00 N ATOM 604 CA GLY A 228 1.096 -9.507 4.703 1.00 0.00 C ATOM 605 C GLY A 228 1.200 -8.851 6.085 1.00 0.00 C ATOM 606 O GLY A 228 1.665 -9.500 7.021 1.00 0.00 O ATOM 0 H GLY A 228 0.515 -8.454 3.007 1.00 0.00 H new ATOM 0 HA2 GLY A 228 0.105 -9.946 4.590 1.00 0.00 H new ATOM 0 HA3 GLY A 228 1.815 -10.324 4.641 1.00 0.00 H new ATOM 610 N LEU A 229 0.826 -7.565 6.203 1.00 0.00 N ATOM 611 CA LEU A 229 1.010 -6.773 7.418 1.00 0.00 C ATOM 612 C LEU A 229 0.144 -7.276 8.575 1.00 0.00 C ATOM 613 O LEU A 229 0.676 -7.519 9.658 1.00 0.00 O ATOM 614 CB LEU A 229 0.688 -5.283 7.152 1.00 0.00 C ATOM 615 CG LEU A 229 1.921 -4.358 7.133 1.00 0.00 C ATOM 616 CD1 LEU A 229 1.455 -2.943 6.762 1.00 0.00 C ATOM 617 CD2 LEU A 229 2.686 -4.310 8.466 1.00 0.00 C ATOM 0 H LEU A 229 0.383 -7.046 5.445 1.00 0.00 H new ATOM 0 HA LEU A 229 2.056 -6.880 7.705 1.00 0.00 H new ATOM 0 HB2 LEU A 229 0.173 -5.201 6.195 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -0.003 -4.931 7.918 1.00 0.00 H new ATOM 0 HG LEU A 229 2.618 -4.764 6.400 1.00 0.00 H new ATOM 0 HD11 LEU A 229 2.313 -2.271 6.743 1.00 0.00 H new ATOM 0 HD12 LEU A 229 0.986 -2.961 5.778 1.00 0.00 H new ATOM 0 HD13 LEU A 229 0.735 -2.591 7.501 1.00 0.00 H new ATOM 0 HD21 LEU A 229 3.539 -3.638 8.372 1.00 0.00 H new ATOM 0 HD22 LEU A 229 2.024 -3.948 9.253 1.00 0.00 H new ATOM 0 HD23 LEU A 229 3.038 -5.310 8.720 1.00 0.00 H new ATOM 629 N THR A 230 -1.175 -7.395 8.336 1.00 0.00 N ATOM 630 CA THR A 230 -2.252 -7.648 9.307 1.00 0.00 C ATOM 631 C THR A 230 -2.195 -6.804 10.608 1.00 0.00 C ATOM 632 O THR A 230 -2.914 -7.089 11.566 1.00 0.00 O ATOM 633 CB THR A 230 -2.444 -9.169 9.502 1.00 0.00 C ATOM 634 OG1 THR A 230 -3.737 -9.432 10.003 1.00 0.00 O ATOM 635 CG2 THR A 230 -1.414 -9.858 10.408 1.00 0.00 C ATOM 0 H THR A 230 -1.542 -7.310 7.388 1.00 0.00 H new ATOM 0 HA THR A 230 -3.174 -7.264 8.871 1.00 0.00 H new ATOM 0 HB THR A 230 -2.297 -9.592 8.508 1.00 0.00 H new ATOM 0 HG1 THR A 230 -3.959 -8.776 10.697 1.00 0.00 H new ATOM 0 HG21 THR A 230 -1.643 -10.922 10.475 1.00 0.00 H new ATOM 0 HG22 THR A 230 -0.416 -9.727 9.990 1.00 0.00 H new ATOM 0 HG23 THR A 230 -1.451 -9.415 11.403 1.00 0.00 H new ATOM 643 N THR A 231 -1.358 -5.754 10.645 1.00 0.00 N ATOM 644 CA THR A 231 -1.081 -4.884 11.792 1.00 0.00 C ATOM 645 C THR A 231 -0.670 -3.493 11.290 1.00 0.00 C ATOM 646 O THR A 231 -0.199 -3.350 10.161 1.00 0.00 O ATOM 647 CB THR A 231 0.068 -5.449 12.656 1.00 0.00 C ATOM 648 OG1 THR A 231 1.240 -5.639 11.887 1.00 0.00 O ATOM 649 CG2 THR A 231 -0.272 -6.763 13.366 1.00 0.00 C ATOM 0 H THR A 231 -0.825 -5.476 9.821 1.00 0.00 H new ATOM 0 HA THR A 231 -1.986 -4.826 12.397 1.00 0.00 H new ATOM 0 HB THR A 231 0.233 -4.695 13.426 1.00 0.00 H new ATOM 0 HG1 THR A 231 1.061 -6.285 11.172 1.00 0.00 H new ATOM 0 HG21 THR A 231 0.586 -7.093 13.951 1.00 0.00 H new ATOM 0 HG22 THR A 231 -1.125 -6.609 14.027 1.00 0.00 H new ATOM 0 HG23 THR A 231 -0.520 -7.523 12.625 1.00 0.00 H new ATOM 657 N LYS A 232 -0.808 -2.469 12.145 1.00 0.00 N ATOM 658 CA LYS A 232 -0.266 -1.138 11.880 1.00 0.00 C ATOM 659 C LYS A 232 1.272 -1.213 11.952 1.00 0.00 C ATOM 660 O LYS A 232 1.790 -1.659 12.978 1.00 0.00 O ATOM 661 CB LYS A 232 -0.834 -0.135 12.896 1.00 0.00 C ATOM 662 CG LYS A 232 -0.395 1.307 12.579 1.00 0.00 C ATOM 663 CD LYS A 232 -0.843 2.354 13.612 1.00 0.00 C ATOM 664 CE LYS A 232 -2.358 2.586 13.670 1.00 0.00 C ATOM 665 NZ LYS A 232 -3.056 1.599 14.518 1.00 0.00 N ATOM 0 H LYS A 232 -1.298 -2.545 13.036 1.00 0.00 H new ATOM 0 HA LYS A 232 -0.553 -0.795 10.886 1.00 0.00 H new ATOM 0 HB2 LYS A 232 -1.922 -0.193 12.895 1.00 0.00 H new ATOM 0 HB3 LYS A 232 -0.502 -0.405 13.898 1.00 0.00 H new ATOM 0 HG2 LYS A 232 0.692 1.333 12.502 1.00 0.00 H new ATOM 0 HG3 LYS A 232 -0.790 1.587 11.603 1.00 0.00 H new ATOM 0 HD2 LYS A 232 -0.498 2.043 14.598 1.00 0.00 H new ATOM 0 HD3 LYS A 232 -0.352 3.301 13.387 1.00 0.00 H new ATOM 0 HE2 LYS A 232 -2.553 3.588 14.051 1.00 0.00 H new ATOM 0 HE3 LYS A 232 -2.766 2.544 12.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 -3.797 1.127 13.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 -2.375 0.891 14.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 -3.488 2.083 15.331 1.00 0.00 H new ATOM 679 N PRO A 233 2.012 -0.789 10.905 1.00 0.00 N ATOM 680 CA PRO A 233 3.468 -0.893 10.874 1.00 0.00 C ATOM 681 C PRO A 233 4.121 0.129 11.813 1.00 0.00 C ATOM 682 O PRO A 233 4.730 -0.250 12.813 1.00 0.00 O ATOM 683 CB PRO A 233 3.855 -0.670 9.404 1.00 0.00 C ATOM 684 CG PRO A 233 2.708 0.156 8.820 1.00 0.00 C ATOM 685 CD PRO A 233 1.497 -0.273 9.643 1.00 0.00 C ATOM 0 HA PRO A 233 3.819 -1.862 11.229 1.00 0.00 H new ATOM 0 HB2 PRO A 233 4.805 -0.142 9.321 1.00 0.00 H new ATOM 0 HB3 PRO A 233 3.969 -1.617 8.877 1.00 0.00 H new ATOM 0 HG2 PRO A 233 2.897 1.225 8.913 1.00 0.00 H new ATOM 0 HG3 PRO A 233 2.565 -0.051 7.759 1.00 0.00 H new ATOM 0 HD2 PRO A 233 0.827 0.569 9.814 1.00 0.00 H new ATOM 0 HD3 PRO A 233 0.923 -1.036 9.118 1.00 0.00 H new ATOM 693 N ARG A 234 3.976 1.420 11.481 1.00 0.00 N ATOM 694 CA ARG A 234 4.534 2.588 12.157 1.00 0.00 C ATOM 695 C ARG A 234 3.968 3.844 11.460 1.00 0.00 C ATOM 696 O ARG A 234 3.147 3.737 10.546 1.00 0.00 O ATOM 697 CB ARG A 234 6.082 2.553 12.070 1.00 0.00 C ATOM 698 CG ARG A 234 6.759 3.217 13.279 1.00 0.00 C ATOM 699 CD ARG A 234 8.286 3.161 13.144 1.00 0.00 C ATOM 700 NE ARG A 234 8.950 3.811 14.287 1.00 0.00 N ATOM 701 CZ ARG A 234 9.203 5.123 14.415 1.00 0.00 C ATOM 702 NH1 ARG A 234 8.873 6.003 13.467 1.00 0.00 N ATOM 703 NH2 ARG A 234 9.799 5.567 15.522 1.00 0.00 N ATOM 0 H ARG A 234 3.421 1.690 10.669 1.00 0.00 H new ATOM 0 HA ARG A 234 4.263 2.598 13.213 1.00 0.00 H new ATOM 0 HB2 ARG A 234 6.414 1.518 11.996 1.00 0.00 H new ATOM 0 HB3 ARG A 234 6.402 3.056 11.158 1.00 0.00 H new ATOM 0 HG2 ARG A 234 6.434 4.254 13.360 1.00 0.00 H new ATOM 0 HG3 ARG A 234 6.451 2.714 14.196 1.00 0.00 H new ATOM 0 HD2 ARG A 234 8.609 2.122 13.076 1.00 0.00 H new ATOM 0 HD3 ARG A 234 8.589 3.650 12.218 1.00 0.00 H new ATOM 0 HE ARG A 234 9.246 3.207 15.054 1.00 0.00 H new ATOM 0 HH11 ARG A 234 8.414 5.685 12.613 1.00 0.00 H new ATOM 0 HH12 ARG A 234 9.080 6.993 13.596 1.00 0.00 H new ATOM 0 HH21 ARG A 234 10.057 4.912 16.260 1.00 0.00 H new ATOM 0 HH22 ARG A 234 9.997 6.562 15.631 1.00 0.00 H new ATOM 717 N GLY A 235 4.452 5.033 11.842 1.00 0.00 N ATOM 718 CA GLY A 235 4.210 6.284 11.126 1.00 0.00 C ATOM 719 C GLY A 235 5.070 6.425 9.856 1.00 0.00 C ATOM 720 O GLY A 235 5.215 7.538 9.354 1.00 0.00 O ATOM 0 H GLY A 235 5.032 5.150 12.672 1.00 0.00 H new ATOM 0 HA2 GLY A 235 3.156 6.342 10.853 1.00 0.00 H new ATOM 0 HA3 GLY A 235 4.414 7.123 11.792 1.00 0.00 H new ATOM 724 N LYS A 236 5.664 5.323 9.364 1.00 0.00 N ATOM 725 CA LYS A 236 6.485 5.257 8.165 1.00 0.00 C ATOM 726 C LYS A 236 6.525 3.795 7.699 1.00 0.00 C ATOM 727 O LYS A 236 6.974 2.911 8.428 1.00 0.00 O ATOM 728 CB LYS A 236 7.907 5.774 8.467 1.00 0.00 C ATOM 729 CG LYS A 236 8.660 6.268 7.221 1.00 0.00 C ATOM 730 CD LYS A 236 8.178 7.661 6.779 1.00 0.00 C ATOM 731 CE LYS A 236 9.080 8.281 5.705 1.00 0.00 C ATOM 732 NZ LYS A 236 8.987 7.581 4.412 1.00 0.00 N ATOM 0 H LYS A 236 5.573 4.416 9.822 1.00 0.00 H new ATOM 0 HA LYS A 236 6.065 5.884 7.379 1.00 0.00 H new ATOM 0 HB2 LYS A 236 7.843 6.588 9.189 1.00 0.00 H new ATOM 0 HB3 LYS A 236 8.483 4.976 8.937 1.00 0.00 H new ATOM 0 HG2 LYS A 236 9.729 6.303 7.432 1.00 0.00 H new ATOM 0 HG3 LYS A 236 8.519 5.559 6.406 1.00 0.00 H new ATOM 0 HD2 LYS A 236 7.161 7.585 6.395 1.00 0.00 H new ATOM 0 HD3 LYS A 236 8.143 8.322 7.645 1.00 0.00 H new ATOM 0 HE2 LYS A 236 8.808 9.327 5.567 1.00 0.00 H new ATOM 0 HE3 LYS A 236 10.114 8.263 6.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 9.931 7.526 3.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 8.619 6.620 4.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 8.345 8.102 3.781 1.00 0.00 H new ATOM 746 N TRP A 237 6.057 3.565 6.471 1.00 0.00 N ATOM 747 CA TRP A 237 6.017 2.282 5.779 1.00 0.00 C ATOM 748 C TRP A 237 6.470 2.457 4.322 1.00 0.00 C ATOM 749 O TRP A 237 6.474 3.571 3.791 1.00 0.00 O ATOM 750 CB TRP A 237 4.590 1.738 5.872 1.00 0.00 C ATOM 751 CG TRP A 237 4.313 0.425 5.195 1.00 0.00 C ATOM 752 CD1 TRP A 237 4.499 -0.810 5.712 1.00 0.00 C ATOM 753 CD2 TRP A 237 3.839 0.201 3.833 1.00 0.00 C ATOM 754 NE1 TRP A 237 4.144 -1.769 4.782 1.00 0.00 N ATOM 755 CE2 TRP A 237 3.728 -1.199 3.597 1.00 0.00 C ATOM 756 CE3 TRP A 237 3.552 1.058 2.754 1.00 0.00 C ATOM 757 CZ2 TRP A 237 3.308 -1.713 2.359 1.00 0.00 C ATOM 758 CZ3 TRP A 237 3.169 0.556 1.498 1.00 0.00 C ATOM 759 CH2 TRP A 237 3.011 -0.827 1.313 1.00 0.00 C ATOM 0 H TRP A 237 5.673 4.318 5.901 1.00 0.00 H new ATOM 0 HA TRP A 237 6.699 1.569 6.241 1.00 0.00 H new ATOM 0 HB2 TRP A 237 4.335 1.635 6.927 1.00 0.00 H new ATOM 0 HB3 TRP A 237 3.915 2.484 5.452 1.00 0.00 H new ATOM 0 HD1 TRP A 237 4.870 -1.017 6.705 1.00 0.00 H new ATOM 0 HE1 TRP A 237 4.185 -2.774 4.951 1.00 0.00 H new ATOM 0 HE3 TRP A 237 3.628 2.126 2.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 237 3.215 -2.779 2.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 237 2.996 1.234 0.675 1.00 0.00 H new ATOM 0 HH2 TRP A 237 2.661 -1.208 0.365 1.00 0.00 H new ATOM 770 N PHE A 238 6.831 1.344 3.667 1.00 0.00 N ATOM 771 CA PHE A 238 7.247 1.326 2.271 1.00 0.00 C ATOM 772 C PHE A 238 6.662 0.111 1.548 1.00 0.00 C ATOM 773 O PHE A 238 6.625 -0.984 2.114 1.00 0.00 O ATOM 774 CB PHE A 238 8.779 1.309 2.168 1.00 0.00 C ATOM 775 CG PHE A 238 9.464 2.525 2.768 1.00 0.00 C ATOM 776 CD1 PHE A 238 9.623 3.699 2.008 1.00 0.00 C ATOM 777 CD2 PHE A 238 9.933 2.486 4.097 1.00 0.00 C ATOM 778 CE1 PHE A 238 10.256 4.823 2.567 1.00 0.00 C ATOM 779 CE2 PHE A 238 10.561 3.613 4.657 1.00 0.00 C ATOM 780 CZ PHE A 238 10.730 4.778 3.890 1.00 0.00 C ATOM 0 H PHE A 238 6.840 0.423 4.104 1.00 0.00 H new ATOM 0 HA PHE A 238 6.871 2.231 1.793 1.00 0.00 H new ATOM 0 HB2 PHE A 238 9.154 0.414 2.665 1.00 0.00 H new ATOM 0 HB3 PHE A 238 9.059 1.231 1.117 1.00 0.00 H new ATOM 0 HD1 PHE A 238 9.258 3.736 0.992 1.00 0.00 H new ATOM 0 HD2 PHE A 238 9.810 1.589 4.686 1.00 0.00 H new ATOM 0 HE1 PHE A 238 10.378 5.721 1.980 1.00 0.00 H new ATOM 0 HE2 PHE A 238 10.914 3.583 5.677 1.00 0.00 H new ATOM 0 HZ PHE A 238 11.224 5.639 4.316 1.00 0.00 H new ATOM 790 N CYS A 239 6.245 0.293 0.284 1.00 0.00 N ATOM 791 CA CYS A 239 5.777 -0.786 -0.570 1.00 0.00 C ATOM 792 C CYS A 239 6.903 -1.780 -0.898 1.00 0.00 C ATOM 793 O CYS A 239 8.073 -1.419 -0.766 1.00 0.00 O ATOM 794 CB CYS A 239 5.096 -0.160 -1.796 1.00 0.00 C ATOM 795 SG CYS A 239 6.173 0.864 -2.838 1.00 0.00 S ATOM 0 H CYS A 239 6.227 1.207 -0.169 1.00 0.00 H new ATOM 0 HA CYS A 239 5.035 -1.397 -0.055 1.00 0.00 H new ATOM 0 HB2 CYS A 239 4.679 -0.960 -2.408 1.00 0.00 H new ATOM 0 HB3 CYS A 239 4.260 0.450 -1.455 1.00 0.00 H new ATOM 0 HG CYS A 239 6.436 1.980 -2.225 1.00 0.00 H new ATOM 801 N PRO A 240 6.580 -3.021 -1.324 1.00 0.00 N ATOM 802 CA PRO A 240 7.560 -4.067 -1.643 1.00 0.00 C ATOM 803 C PRO A 240 8.330 -3.804 -2.957 1.00 0.00 C ATOM 804 O PRO A 240 8.771 -4.743 -3.619 1.00 0.00 O ATOM 805 CB PRO A 240 6.755 -5.375 -1.646 1.00 0.00 C ATOM 806 CG PRO A 240 5.365 -4.931 -2.089 1.00 0.00 C ATOM 807 CD PRO A 240 5.230 -3.569 -1.416 1.00 0.00 C ATOM 0 HA PRO A 240 8.363 -4.103 -0.907 1.00 0.00 H new ATOM 0 HB2 PRO A 240 7.181 -6.108 -2.332 1.00 0.00 H new ATOM 0 HB3 PRO A 240 6.734 -5.837 -0.659 1.00 0.00 H new ATOM 0 HG2 PRO A 240 5.288 -4.858 -3.174 1.00 0.00 H new ATOM 0 HG3 PRO A 240 4.592 -5.626 -1.760 1.00 0.00 H new ATOM 0 HD2 PRO A 240 4.582 -2.911 -1.996 1.00 0.00 H new ATOM 0 HD3 PRO A 240 4.782 -3.667 -0.427 1.00 0.00 H new ATOM 815 N ARG A 241 8.498 -2.525 -3.330 1.00 0.00 N ATOM 816 CA ARG A 241 9.253 -2.054 -4.484 1.00 0.00 C ATOM 817 C ARG A 241 10.158 -0.889 -4.067 1.00 0.00 C ATOM 818 O ARG A 241 11.294 -0.802 -4.530 1.00 0.00 O ATOM 819 CB ARG A 241 8.299 -1.640 -5.622 1.00 0.00 C ATOM 820 CG ARG A 241 7.266 -2.723 -5.986 1.00 0.00 C ATOM 821 CD ARG A 241 6.408 -2.330 -7.195 1.00 0.00 C ATOM 822 NE ARG A 241 7.150 -2.433 -8.463 1.00 0.00 N ATOM 823 CZ ARG A 241 7.301 -3.549 -9.195 1.00 0.00 C ATOM 824 NH1 ARG A 241 6.781 -4.719 -8.816 1.00 0.00 N ATOM 825 NH2 ARG A 241 7.989 -3.494 -10.336 1.00 0.00 N ATOM 0 H ARG A 241 8.085 -1.757 -2.801 1.00 0.00 H new ATOM 0 HA ARG A 241 9.880 -2.863 -4.858 1.00 0.00 H new ATOM 0 HB2 ARG A 241 7.773 -0.731 -5.331 1.00 0.00 H new ATOM 0 HB3 ARG A 241 8.887 -1.398 -6.508 1.00 0.00 H new ATOM 0 HG2 ARG A 241 7.784 -3.658 -6.200 1.00 0.00 H new ATOM 0 HG3 ARG A 241 6.618 -2.906 -5.129 1.00 0.00 H new ATOM 0 HD2 ARG A 241 5.528 -2.972 -7.238 1.00 0.00 H new ATOM 0 HD3 ARG A 241 6.051 -1.308 -7.068 1.00 0.00 H new ATOM 0 HE ARG A 241 7.588 -1.582 -8.816 1.00 0.00 H new ATOM 0 HH11 ARG A 241 6.251 -4.784 -7.947 1.00 0.00 H new ATOM 0 HH12 ARG A 241 6.914 -5.548 -9.395 1.00 0.00 H new ATOM 0 HH21 ARG A 241 8.394 -2.611 -10.645 1.00 0.00 H new ATOM 0 HH22 ARG A 241 8.110 -4.335 -10.900 1.00 0.00 H new ATOM 839 N CYS A 242 9.682 -0.042 -3.140 1.00 0.00 N ATOM 840 CA CYS A 242 10.440 0.977 -2.447 1.00 0.00 C ATOM 841 C CYS A 242 11.392 0.350 -1.420 1.00 0.00 C ATOM 842 O CYS A 242 12.525 0.802 -1.274 1.00 0.00 O ATOM 843 CB CYS A 242 9.399 1.839 -1.735 1.00 0.00 C ATOM 844 SG CYS A 242 8.927 3.246 -2.771 1.00 0.00 S ATOM 0 H CYS A 242 8.705 -0.062 -2.848 1.00 0.00 H new ATOM 0 HA CYS A 242 11.055 1.554 -3.137 1.00 0.00 H new ATOM 0 HB2 CYS A 242 8.519 1.239 -1.503 1.00 0.00 H new ATOM 0 HB3 CYS A 242 9.801 2.196 -0.787 1.00 0.00 H new ATOM 0 HG CYS A 242 7.760 3.023 -3.300 1.00 0.00 H new ATOM 850 N SER A 243 10.927 -0.703 -0.731 1.00 0.00 N ATOM 851 CA SER A 243 11.692 -1.464 0.249 1.00 0.00 C ATOM 852 C SER A 243 12.694 -2.409 -0.428 1.00 0.00 C ATOM 853 O SER A 243 13.734 -2.708 0.157 1.00 0.00 O ATOM 854 CB SER A 243 10.702 -2.251 1.117 1.00 0.00 C ATOM 855 OG SER A 243 11.360 -2.870 2.200 1.00 0.00 O ATOM 0 H SER A 243 9.977 -1.054 -0.850 1.00 0.00 H new ATOM 0 HA SER A 243 12.275 -0.780 0.866 1.00 0.00 H new ATOM 0 HB2 SER A 243 9.929 -1.580 1.492 1.00 0.00 H new ATOM 0 HB3 SER A 243 10.202 -3.006 0.511 1.00 0.00 H new ATOM 0 HG SER A 243 10.708 -3.364 2.740 1.00 0.00 H new ATOM 861 N GLN A 244 12.402 -2.853 -1.663 1.00 0.00 N ATOM 862 CA GLN A 244 13.257 -3.749 -2.434 1.00 0.00 C ATOM 863 C GLN A 244 14.608 -3.105 -2.787 1.00 0.00 C ATOM 864 O GLN A 244 15.615 -3.808 -2.869 1.00 0.00 O ATOM 865 CB GLN A 244 12.501 -4.194 -3.698 1.00 0.00 C ATOM 866 CG GLN A 244 13.081 -5.463 -4.341 1.00 0.00 C ATOM 867 CD GLN A 244 12.808 -6.717 -3.506 1.00 0.00 C ATOM 868 OE1 GLN A 244 13.519 -7.018 -2.552 1.00 0.00 O ATOM 869 NE2 GLN A 244 11.758 -7.461 -3.853 1.00 0.00 N ATOM 0 H GLN A 244 11.548 -2.590 -2.155 1.00 0.00 H new ATOM 0 HA GLN A 244 13.490 -4.620 -1.822 1.00 0.00 H new ATOM 0 HB2 GLN A 244 11.456 -4.370 -3.444 1.00 0.00 H new ATOM 0 HB3 GLN A 244 12.520 -3.385 -4.428 1.00 0.00 H new ATOM 0 HG2 GLN A 244 12.653 -5.591 -5.335 1.00 0.00 H new ATOM 0 HG3 GLN A 244 14.157 -5.343 -4.470 1.00 0.00 H new ATOM 0 HE21 GLN A 244 11.182 -7.190 -4.650 1.00 0.00 H new ATOM 0 HE22 GLN A 244 11.530 -8.301 -3.322 1.00 0.00 H new ATOM 878 N GLU A 245 14.637 -1.769 -2.933 1.00 0.00 N ATOM 879 CA GLU A 245 15.823 -0.947 -3.147 1.00 0.00 C ATOM 880 C GLU A 245 16.854 -1.058 -2.002 1.00 0.00 C ATOM 881 O GLU A 245 18.016 -0.702 -2.187 1.00 0.00 O ATOM 882 CB GLU A 245 15.370 0.515 -3.353 1.00 0.00 C ATOM 883 CG GLU A 245 16.067 1.218 -4.527 1.00 0.00 C ATOM 884 CD GLU A 245 17.566 1.428 -4.313 1.00 0.00 C ATOM 885 OE1 GLU A 245 17.910 2.300 -3.484 1.00 0.00 O ATOM 886 OE2 GLU A 245 18.346 0.721 -4.991 1.00 0.00 O ATOM 0 H GLU A 245 13.784 -1.211 -2.902 1.00 0.00 H new ATOM 0 HA GLU A 245 16.339 -1.313 -4.034 1.00 0.00 H new ATOM 0 HB2 GLU A 245 14.293 0.532 -3.519 1.00 0.00 H new ATOM 0 HB3 GLU A 245 15.561 1.077 -2.439 1.00 0.00 H new ATOM 0 HG2 GLU A 245 15.917 0.630 -5.432 1.00 0.00 H new ATOM 0 HG3 GLU A 245 15.593 2.186 -4.693 1.00 0.00 H new ATOM 893 N ARG A 246 16.442 -1.583 -0.838 1.00 0.00 N ATOM 894 CA ARG A 246 17.251 -1.725 0.372 1.00 0.00 C ATOM 895 C ARG A 246 17.207 -3.172 0.904 1.00 0.00 C ATOM 896 O ARG A 246 17.477 -3.413 2.080 1.00 0.00 O ATOM 897 CB ARG A 246 16.781 -0.669 1.392 1.00 0.00 C ATOM 898 CG ARG A 246 17.883 -0.278 2.389 1.00 0.00 C ATOM 899 CD ARG A 246 17.388 0.826 3.329 1.00 0.00 C ATOM 900 NE ARG A 246 18.447 1.263 4.255 1.00 0.00 N ATOM 901 CZ ARG A 246 19.402 2.168 3.991 1.00 0.00 C ATOM 902 NH1 ARG A 246 19.484 2.784 2.808 1.00 0.00 N ATOM 903 NH2 ARG A 246 20.298 2.464 4.932 1.00 0.00 N ATOM 0 H ARG A 246 15.493 -1.934 -0.714 1.00 0.00 H new ATOM 0 HA ARG A 246 18.304 -1.540 0.159 1.00 0.00 H new ATOM 0 HB2 ARG A 246 16.446 0.221 0.859 1.00 0.00 H new ATOM 0 HB3 ARG A 246 15.921 -1.056 1.940 1.00 0.00 H new ATOM 0 HG2 ARG A 246 18.183 -1.151 2.969 1.00 0.00 H new ATOM 0 HG3 ARG A 246 18.766 0.065 1.849 1.00 0.00 H new ATOM 0 HD2 ARG A 246 17.043 1.677 2.742 1.00 0.00 H new ATOM 0 HD3 ARG A 246 16.532 0.463 3.899 1.00 0.00 H new ATOM 0 HE ARG A 246 18.455 0.839 5.182 1.00 0.00 H new ATOM 0 HH11 ARG A 246 18.808 2.571 2.074 1.00 0.00 H new ATOM 0 HH12 ARG A 246 20.222 3.467 2.639 1.00 0.00 H new ATOM 0 HH21 ARG A 246 20.253 2.004 5.841 1.00 0.00 H new ATOM 0 HH22 ARG A 246 21.028 3.150 4.743 1.00 0.00 H new ATOM 917 N LYS A 247 16.874 -4.137 0.030 1.00 0.00 N ATOM 918 CA LYS A 247 16.783 -5.567 0.322 1.00 0.00 C ATOM 919 C LYS A 247 17.495 -6.364 -0.780 1.00 0.00 C ATOM 920 O LYS A 247 16.897 -7.204 -1.454 1.00 0.00 O ATOM 921 CB LYS A 247 15.320 -6.001 0.510 1.00 0.00 C ATOM 922 CG LYS A 247 14.685 -5.474 1.806 1.00 0.00 C ATOM 923 CD LYS A 247 13.184 -5.786 1.925 1.00 0.00 C ATOM 924 CE LYS A 247 12.851 -7.284 2.010 1.00 0.00 C ATOM 925 NZ LYS A 247 12.804 -7.936 0.686 1.00 0.00 N ATOM 0 H LYS A 247 16.652 -3.925 -0.943 1.00 0.00 H new ATOM 0 HA LYS A 247 17.288 -5.776 1.265 1.00 0.00 H new ATOM 0 HB2 LYS A 247 14.734 -5.652 -0.340 1.00 0.00 H new ATOM 0 HB3 LYS A 247 15.269 -7.090 0.507 1.00 0.00 H new ATOM 0 HG2 LYS A 247 15.207 -5.907 2.659 1.00 0.00 H new ATOM 0 HG3 LYS A 247 14.829 -4.395 1.859 1.00 0.00 H new ATOM 0 HD2 LYS A 247 12.791 -5.288 2.812 1.00 0.00 H new ATOM 0 HD3 LYS A 247 12.668 -5.360 1.065 1.00 0.00 H new ATOM 0 HE2 LYS A 247 13.597 -7.783 2.629 1.00 0.00 H new ATOM 0 HE3 LYS A 247 11.889 -7.410 2.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 247 11.946 -8.520 0.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 247 12.790 -7.210 -0.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 247 13.643 -8.539 0.566 1.00 0.00 H new ATOM 939 N LYS A 248 18.789 -6.065 -0.966 1.00 0.00 N ATOM 940 CA LYS A 248 19.722 -6.830 -1.792 1.00 0.00 C ATOM 941 C LYS A 248 20.095 -8.107 -1.022 1.00 0.00 C ATOM 942 O LYS A 248 21.164 -8.189 -0.418 1.00 0.00 O ATOM 943 CB LYS A 248 20.946 -5.963 -2.143 1.00 0.00 C ATOM 944 CG LYS A 248 20.565 -4.769 -3.037 1.00 0.00 C ATOM 945 CD LYS A 248 21.783 -3.941 -3.474 1.00 0.00 C ATOM 946 CE LYS A 248 22.467 -3.255 -2.287 1.00 0.00 C ATOM 947 NZ LYS A 248 23.597 -2.418 -2.727 1.00 0.00 N ATOM 0 H LYS A 248 19.226 -5.254 -0.528 1.00 0.00 H new ATOM 0 HA LYS A 248 19.270 -7.119 -2.741 1.00 0.00 H new ATOM 0 HB2 LYS A 248 21.407 -5.597 -1.226 1.00 0.00 H new ATOM 0 HB3 LYS A 248 21.691 -6.575 -2.652 1.00 0.00 H new ATOM 0 HG2 LYS A 248 20.044 -5.135 -3.922 1.00 0.00 H new ATOM 0 HG3 LYS A 248 19.868 -4.126 -2.499 1.00 0.00 H new ATOM 0 HD2 LYS A 248 22.499 -4.589 -3.980 1.00 0.00 H new ATOM 0 HD3 LYS A 248 21.469 -3.188 -4.196 1.00 0.00 H new ATOM 0 HE2 LYS A 248 21.742 -2.639 -1.754 1.00 0.00 H new ATOM 0 HE3 LYS A 248 22.823 -4.009 -1.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 248 24.038 -1.968 -1.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 248 24.299 -3.011 -3.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 248 23.252 -1.684 -3.378 1.00 0.00 H new ATOM 961 N LYS A 249 19.161 -9.071 -1.031 1.00 0.00 N ATOM 962 CA LYS A 249 19.126 -10.271 -0.195 1.00 0.00 C ATOM 963 C LYS A 249 19.025 -9.870 1.285 1.00 0.00 C ATOM 964 O LYS A 249 17.900 -9.480 1.671 1.00 0.00 O ATOM 965 CB LYS A 249 20.278 -11.238 -0.539 1.00 0.00 C ATOM 966 CG LYS A 249 20.058 -12.626 0.089 1.00 0.00 C ATOM 967 CD LYS A 249 21.281 -13.543 -0.041 1.00 0.00 C ATOM 968 CE LYS A 249 21.642 -13.832 -1.501 1.00 0.00 C ATOM 969 NZ LYS A 249 22.802 -14.737 -1.597 1.00 0.00 N ATOM 970 OXT LYS A 249 20.048 -9.942 2.001 1.00 0.00 O ATOM 0 H LYS A 249 18.362 -9.026 -1.664 1.00 0.00 H new ATOM 0 HA LYS A 249 18.228 -10.850 -0.410 1.00 0.00 H new ATOM 0 HB2 LYS A 249 20.360 -11.336 -1.621 1.00 0.00 H new ATOM 0 HB3 LYS A 249 21.221 -10.823 -0.184 1.00 0.00 H new ATOM 0 HG2 LYS A 249 19.811 -12.506 1.144 1.00 0.00 H new ATOM 0 HG3 LYS A 249 19.201 -13.103 -0.387 1.00 0.00 H new ATOM 0 HD2 LYS A 249 22.133 -13.080 0.456 1.00 0.00 H new ATOM 0 HD3 LYS A 249 21.083 -14.483 0.474 1.00 0.00 H new ATOM 0 HE2 LYS A 249 20.787 -14.279 -2.008 1.00 0.00 H new ATOM 0 HE3 LYS A 249 21.864 -12.897 -2.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 249 23.022 -14.914 -2.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 249 23.624 -14.299 -1.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 249 22.579 -15.638 -1.127 1.00 0.00 H new TER 984 LYS A 249 HETATM 985 ZN ZN A 301 -5.021 -5.107 -2.589 1.00 0.00 ZN HETATM 986 ZN ZN A 302 5.735 4.253 -3.478 1.00 0.00 ZN