USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 479 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj : A 203 GLNHE21 : A 203 GLN OE1 : A 250 ZNZN :(metal ligand) USER MOD NoAdj : A 203 GLNHE22 : A 203 GLN OE1 : A 250 ZNZN :(metal ligand) USER MOD Set 1.1: A 212 CYS SG : rot 150:sc= -1.29 USER MOD Set 1.2: A 214 ASN : amide:sc= -0.159 K(o=0.28,f=1.7) USER MOD Set 1.3: A 239 CYS SG : rot -83:sc= 0.63 USER MOD Set 1.4: A 242 CYS SG : rot 180:sc= 1.1 USER MOD Set 2.1: A 199 CYS SG : rot -143:sc= -0.0366 USER MOD Set 2.2: A 226 CYS SG : rot -125:sc= 0.867 USER MOD Set 3.1: A 206 TYR OH : rot -178:sc= 0.216 USER MOD Set 3.2: A 209 MET CE :methyl -159:sc= -0.125 (180deg=-0.98) USER MOD Single : A 187 MET CE :methyl 175:sc= 0 (180deg=-0.0299) USER MOD Single : A 189 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 194 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 197 THR OG1 : rot 180:sc= 0 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 202 HIS : no HD1:sc= -0.0344 X(o=-0.034,f=0) USER MOD Single : A 205 SER OG : rot 180:sc= 0 USER MOD Single : A 218 SER OG : rot 180:sc= 0 USER MOD Single : A 223 HIS : no HD1:sc= -1.67 K(o=-1.7,f=-0.97) USER MOD Single : A 230 THR OG1 : rot 180:sc= 0 USER MOD Single : A 231 THR OG1 : rot 180:sc= 0 USER MOD Single : A 232 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 236 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00592) USER MOD Single : A 243 SER OG : rot 180:sc= 0 USER MOD Single : A 244 GLN : amide:sc= -0.0953 K(o=-0.095,f=-2.2!) USER MOD Single : A 247 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 248 LYS NZ :NH3+ 147:sc= 0.0359 (180deg=0) USER MOD Single : A 249 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 187 0.039 6.617 2.019 1.00 0.00 N ATOM 2 CA MET A 187 0.104 7.925 1.335 1.00 0.00 C ATOM 3 C MET A 187 -0.271 7.797 -0.144 1.00 0.00 C ATOM 4 O MET A 187 -0.383 6.694 -0.678 1.00 0.00 O ATOM 5 CB MET A 187 1.481 8.587 1.513 1.00 0.00 C ATOM 6 CG MET A 187 1.711 9.000 2.972 1.00 0.00 C ATOM 7 SD MET A 187 3.257 9.894 3.282 1.00 0.00 S ATOM 8 CE MET A 187 2.896 11.496 2.513 1.00 0.00 C ATOM 0 HA MET A 187 -0.631 8.578 1.805 1.00 0.00 H new ATOM 0 HB2 MET A 187 2.263 7.896 1.200 1.00 0.00 H new ATOM 0 HB3 MET A 187 1.553 9.463 0.868 1.00 0.00 H new ATOM 0 HG2 MET A 187 0.877 9.625 3.292 1.00 0.00 H new ATOM 0 HG3 MET A 187 1.696 8.105 3.594 1.00 0.00 H new ATOM 0 HE1 MET A 187 3.721 12.184 2.700 1.00 0.00 H new ATOM 0 HE2 MET A 187 2.771 11.364 1.438 1.00 0.00 H new ATOM 0 HE3 MET A 187 1.979 11.905 2.937 1.00 0.00 H new ATOM 20 N ASP A 188 -0.474 8.954 -0.782 1.00 0.00 N ATOM 21 CA ASP A 188 -1.002 9.123 -2.136 1.00 0.00 C ATOM 22 C ASP A 188 -0.234 10.224 -2.894 1.00 0.00 C ATOM 23 O ASP A 188 -0.747 10.791 -3.859 1.00 0.00 O ATOM 24 CB ASP A 188 -2.508 9.434 -2.029 1.00 0.00 C ATOM 25 CG ASP A 188 -2.796 10.727 -1.253 1.00 0.00 C ATOM 26 OD1 ASP A 188 -2.760 10.668 -0.003 1.00 0.00 O ATOM 27 OD2 ASP A 188 -3.041 11.759 -1.916 1.00 0.00 O ATOM 0 H ASP A 188 -0.261 9.848 -0.340 1.00 0.00 H new ATOM 0 HA ASP A 188 -0.867 8.207 -2.712 1.00 0.00 H new ATOM 0 HB2 ASP A 188 -2.929 9.516 -3.031 1.00 0.00 H new ATOM 0 HB3 ASP A 188 -3.012 8.601 -1.538 1.00 0.00 H new ATOM 32 N MET A 189 0.992 10.536 -2.442 1.00 0.00 N ATOM 33 CA MET A 189 1.774 11.698 -2.855 1.00 0.00 C ATOM 34 C MET A 189 3.229 11.292 -3.162 1.00 0.00 C ATOM 35 O MET A 189 3.693 10.275 -2.644 1.00 0.00 O ATOM 36 CB MET A 189 1.726 12.736 -1.716 1.00 0.00 C ATOM 37 CG MET A 189 0.299 13.199 -1.401 1.00 0.00 C ATOM 38 SD MET A 189 0.191 14.462 -0.109 1.00 0.00 S ATOM 39 CE MET A 189 -1.614 14.573 0.009 1.00 0.00 C ATOM 0 H MET A 189 1.477 9.960 -1.754 1.00 0.00 H new ATOM 0 HA MET A 189 1.356 12.126 -3.766 1.00 0.00 H new ATOM 0 HB2 MET A 189 2.171 12.306 -0.819 1.00 0.00 H new ATOM 0 HB3 MET A 189 2.332 13.599 -1.990 1.00 0.00 H new ATOM 0 HG2 MET A 189 -0.153 13.590 -2.313 1.00 0.00 H new ATOM 0 HG3 MET A 189 -0.292 12.335 -1.098 1.00 0.00 H new ATOM 0 HE1 MET A 189 -1.885 15.311 0.764 1.00 0.00 H new ATOM 0 HE2 MET A 189 -2.024 14.874 -0.955 1.00 0.00 H new ATOM 0 HE3 MET A 189 -2.021 13.601 0.289 1.00 0.00 H new ATOM 49 N PRO A 190 3.970 12.082 -3.971 1.00 0.00 N ATOM 50 CA PRO A 190 5.355 11.803 -4.365 1.00 0.00 C ATOM 51 C PRO A 190 6.389 12.123 -3.261 1.00 0.00 C ATOM 52 O PRO A 190 7.560 12.355 -3.564 1.00 0.00 O ATOM 53 CB PRO A 190 5.566 12.635 -5.639 1.00 0.00 C ATOM 54 CG PRO A 190 4.700 13.864 -5.387 1.00 0.00 C ATOM 55 CD PRO A 190 3.488 13.266 -4.677 1.00 0.00 C ATOM 0 HA PRO A 190 5.512 10.738 -4.539 1.00 0.00 H new ATOM 0 HB2 PRO A 190 6.614 12.900 -5.780 1.00 0.00 H new ATOM 0 HB3 PRO A 190 5.251 12.095 -6.532 1.00 0.00 H new ATOM 0 HG2 PRO A 190 5.211 14.602 -4.768 1.00 0.00 H new ATOM 0 HG3 PRO A 190 4.422 14.363 -6.315 1.00 0.00 H new ATOM 0 HD2 PRO A 190 3.052 13.983 -3.981 1.00 0.00 H new ATOM 0 HD3 PRO A 190 2.709 13.002 -5.393 1.00 0.00 H new ATOM 63 N VAL A 191 5.969 12.138 -1.988 1.00 0.00 N ATOM 64 CA VAL A 191 6.774 12.413 -0.816 1.00 0.00 C ATOM 65 C VAL A 191 6.491 11.335 0.233 1.00 0.00 C ATOM 66 O VAL A 191 5.345 10.959 0.483 1.00 0.00 O ATOM 67 CB VAL A 191 6.479 13.825 -0.267 1.00 0.00 C ATOM 68 CG1 VAL A 191 7.172 14.900 -1.117 1.00 0.00 C ATOM 69 CG2 VAL A 191 4.984 14.171 -0.131 1.00 0.00 C ATOM 0 H VAL A 191 4.997 11.945 -1.747 1.00 0.00 H new ATOM 0 HA VAL A 191 7.832 12.390 -1.079 1.00 0.00 H new ATOM 0 HB VAL A 191 6.883 13.813 0.745 1.00 0.00 H new ATOM 0 HG11 VAL A 191 6.949 15.886 -0.710 1.00 0.00 H new ATOM 0 HG12 VAL A 191 8.250 14.737 -1.102 1.00 0.00 H new ATOM 0 HG13 VAL A 191 6.810 14.841 -2.144 1.00 0.00 H new ATOM 0 HG21 VAL A 191 4.879 15.182 0.262 1.00 0.00 H new ATOM 0 HG22 VAL A 191 4.506 14.110 -1.109 1.00 0.00 H new ATOM 0 HG23 VAL A 191 4.508 13.466 0.550 1.00 0.00 H new ATOM 79 N ASP A 192 7.576 10.850 0.836 1.00 0.00 N ATOM 80 CA ASP A 192 7.590 9.869 1.916 1.00 0.00 C ATOM 81 C ASP A 192 7.035 10.452 3.229 1.00 0.00 C ATOM 82 O ASP A 192 7.037 11.671 3.407 1.00 0.00 O ATOM 83 CB ASP A 192 9.047 9.427 2.138 1.00 0.00 C ATOM 84 CG ASP A 192 9.556 8.537 1.006 1.00 0.00 C ATOM 85 OD1 ASP A 192 10.055 9.102 0.008 1.00 0.00 O ATOM 86 OD2 ASP A 192 9.437 7.302 1.165 1.00 0.00 O ATOM 0 H ASP A 192 8.515 11.147 0.570 1.00 0.00 H new ATOM 0 HA ASP A 192 6.955 9.029 1.634 1.00 0.00 H new ATOM 0 HB2 ASP A 192 9.684 10.308 2.221 1.00 0.00 H new ATOM 0 HB3 ASP A 192 9.122 8.889 3.083 1.00 0.00 H new ATOM 91 N PRO A 193 6.627 9.597 4.191 1.00 0.00 N ATOM 92 CA PRO A 193 6.326 10.021 5.560 1.00 0.00 C ATOM 93 C PRO A 193 7.607 10.390 6.339 1.00 0.00 C ATOM 94 O PRO A 193 7.520 10.923 7.444 1.00 0.00 O ATOM 95 CB PRO A 193 5.608 8.825 6.195 1.00 0.00 C ATOM 96 CG PRO A 193 6.219 7.626 5.473 1.00 0.00 C ATOM 97 CD PRO A 193 6.456 8.154 4.059 1.00 0.00 C ATOM 0 HA PRO A 193 5.712 10.921 5.577 1.00 0.00 H new ATOM 0 HB2 PRO A 193 5.779 8.777 7.270 1.00 0.00 H new ATOM 0 HB3 PRO A 193 4.529 8.878 6.046 1.00 0.00 H new ATOM 0 HG2 PRO A 193 7.148 7.303 5.943 1.00 0.00 H new ATOM 0 HG3 PRO A 193 5.546 6.769 5.475 1.00 0.00 H new ATOM 0 HD2 PRO A 193 7.339 7.696 3.615 1.00 0.00 H new ATOM 0 HD3 PRO A 193 5.613 7.919 3.409 1.00 0.00 H new ATOM 105 N ASN A 194 8.784 10.118 5.754 1.00 0.00 N ATOM 106 CA ASN A 194 10.119 10.378 6.283 1.00 0.00 C ATOM 107 C ASN A 194 10.603 11.787 5.882 1.00 0.00 C ATOM 108 O ASN A 194 11.758 11.968 5.498 1.00 0.00 O ATOM 109 CB ASN A 194 11.056 9.268 5.770 1.00 0.00 C ATOM 110 CG ASN A 194 10.539 7.866 6.098 1.00 0.00 C ATOM 111 OD1 ASN A 194 10.398 7.505 7.262 1.00 0.00 O ATOM 112 ND2 ASN A 194 10.237 7.069 5.073 1.00 0.00 N ATOM 0 H ASN A 194 8.823 9.680 4.834 1.00 0.00 H new ATOM 0 HA ASN A 194 10.111 10.361 7.373 1.00 0.00 H new ATOM 0 HB2 ASN A 194 11.172 9.365 4.691 1.00 0.00 H new ATOM 0 HB3 ASN A 194 12.044 9.399 6.210 1.00 0.00 H new ATOM 0 HD21 ASN A 194 9.878 6.130 5.246 1.00 0.00 H new ATOM 0 HD22 ASN A 194 10.365 7.398 4.116 1.00 0.00 H new ATOM 119 N GLU A 195 9.697 12.774 5.932 1.00 0.00 N ATOM 120 CA GLU A 195 9.879 14.123 5.408 1.00 0.00 C ATOM 121 C GLU A 195 9.248 15.109 6.407 1.00 0.00 C ATOM 122 O GLU A 195 8.086 14.917 6.771 1.00 0.00 O ATOM 123 CB GLU A 195 9.188 14.200 4.032 1.00 0.00 C ATOM 124 CG GLU A 195 9.370 15.537 3.294 1.00 0.00 C ATOM 125 CD GLU A 195 10.820 15.830 2.893 1.00 0.00 C ATOM 126 OE1 GLU A 195 11.489 14.897 2.398 1.00 0.00 O ATOM 127 OE2 GLU A 195 11.235 16.995 3.074 1.00 0.00 O ATOM 0 H GLU A 195 8.780 12.642 6.358 1.00 0.00 H new ATOM 0 HA GLU A 195 10.932 14.374 5.284 1.00 0.00 H new ATOM 0 HB2 GLU A 195 9.573 13.398 3.402 1.00 0.00 H new ATOM 0 HB3 GLU A 195 8.122 14.017 4.166 1.00 0.00 H new ATOM 0 HG2 GLU A 195 8.749 15.534 2.398 1.00 0.00 H new ATOM 0 HG3 GLU A 195 9.009 16.345 3.930 1.00 0.00 H new ATOM 134 N PRO A 196 9.971 16.152 6.865 1.00 0.00 N ATOM 135 CA PRO A 196 9.446 17.120 7.824 1.00 0.00 C ATOM 136 C PRO A 196 8.375 18.023 7.199 1.00 0.00 C ATOM 137 O PRO A 196 8.328 18.212 5.982 1.00 0.00 O ATOM 138 CB PRO A 196 10.659 17.923 8.307 1.00 0.00 C ATOM 139 CG PRO A 196 11.625 17.845 7.127 1.00 0.00 C ATOM 140 CD PRO A 196 11.367 16.446 6.572 1.00 0.00 C ATOM 0 HA PRO A 196 8.945 16.622 8.654 1.00 0.00 H new ATOM 0 HB2 PRO A 196 10.392 18.954 8.541 1.00 0.00 H new ATOM 0 HB3 PRO A 196 11.092 17.493 9.210 1.00 0.00 H new ATOM 0 HG2 PRO A 196 11.422 18.618 6.386 1.00 0.00 H new ATOM 0 HG3 PRO A 196 12.661 17.970 7.443 1.00 0.00 H new ATOM 0 HD2 PRO A 196 11.557 16.410 5.499 1.00 0.00 H new ATOM 0 HD3 PRO A 196 12.027 15.713 7.037 1.00 0.00 H new ATOM 148 N THR A 197 7.512 18.584 8.057 1.00 0.00 N ATOM 149 CA THR A 197 6.326 19.338 7.673 1.00 0.00 C ATOM 150 C THR A 197 6.083 20.495 8.652 1.00 0.00 C ATOM 151 O THR A 197 6.790 20.646 9.650 1.00 0.00 O ATOM 152 CB THR A 197 5.094 18.407 7.609 1.00 0.00 C ATOM 153 OG1 THR A 197 4.824 17.840 8.875 1.00 0.00 O ATOM 154 CG2 THR A 197 5.227 17.275 6.583 1.00 0.00 C ATOM 0 H THR A 197 7.630 18.519 9.068 1.00 0.00 H new ATOM 0 HA THR A 197 6.489 19.760 6.681 1.00 0.00 H new ATOM 0 HB THR A 197 4.270 19.046 7.290 1.00 0.00 H new ATOM 0 HG1 THR A 197 4.040 17.256 8.811 1.00 0.00 H new ATOM 0 HG21 THR A 197 4.324 16.664 6.596 1.00 0.00 H new ATOM 0 HG22 THR A 197 5.364 17.700 5.588 1.00 0.00 H new ATOM 0 HG23 THR A 197 6.088 16.655 6.834 1.00 0.00 H new ATOM 162 N TYR A 198 5.070 21.313 8.338 1.00 0.00 N ATOM 163 CA TYR A 198 4.787 22.574 9.020 1.00 0.00 C ATOM 164 C TYR A 198 3.295 22.779 9.311 1.00 0.00 C ATOM 165 O TYR A 198 2.911 22.556 10.453 1.00 0.00 O ATOM 166 CB TYR A 198 5.377 23.723 8.201 1.00 0.00 C ATOM 167 CG TYR A 198 6.895 23.760 8.176 1.00 0.00 C ATOM 168 CD1 TYR A 198 7.608 24.016 9.364 1.00 0.00 C ATOM 169 CD2 TYR A 198 7.595 23.539 6.973 1.00 0.00 C ATOM 170 CE1 TYR A 198 9.012 24.068 9.355 1.00 0.00 C ATOM 171 CE2 TYR A 198 9.001 23.587 6.956 1.00 0.00 C ATOM 172 CZ TYR A 198 9.715 23.856 8.147 1.00 0.00 C ATOM 173 OH TYR A 198 11.077 23.909 8.131 1.00 0.00 O ATOM 0 H TYR A 198 4.412 21.108 7.586 1.00 0.00 H new ATOM 0 HA TYR A 198 5.262 22.547 10.001 1.00 0.00 H new ATOM 0 HB2 TYR A 198 5.010 23.649 7.177 1.00 0.00 H new ATOM 0 HB3 TYR A 198 5.009 24.667 8.604 1.00 0.00 H new ATOM 0 HD1 TYR A 198 7.072 24.173 10.288 1.00 0.00 H new ATOM 0 HD2 TYR A 198 7.051 23.333 6.063 1.00 0.00 H new ATOM 0 HE1 TYR A 198 9.552 24.269 10.268 1.00 0.00 H new ATOM 0 HE2 TYR A 198 9.536 23.418 6.033 1.00 0.00 H new ATOM 0 HH TYR A 198 11.400 23.740 7.221 1.00 0.00 H new ATOM 183 N CYS A 199 2.469 23.205 8.333 1.00 0.00 N ATOM 184 CA CYS A 199 1.049 23.523 8.520 1.00 0.00 C ATOM 185 C CYS A 199 0.239 22.365 9.107 1.00 0.00 C ATOM 186 O CYS A 199 0.686 21.220 9.131 1.00 0.00 O ATOM 187 CB CYS A 199 0.362 24.119 7.261 1.00 0.00 C ATOM 188 SG CYS A 199 -0.886 25.332 7.809 1.00 0.00 S ATOM 0 H CYS A 199 2.784 23.339 7.372 1.00 0.00 H new ATOM 0 HA CYS A 199 1.054 24.317 9.267 1.00 0.00 H new ATOM 0 HB2 CYS A 199 1.100 24.598 6.617 1.00 0.00 H new ATOM 0 HB3 CYS A 199 -0.108 23.329 6.675 1.00 0.00 H new ATOM 0 HG CYS A 199 -1.927 25.264 7.033 1.00 0.00 H new ATOM 193 N LEU A 200 -1.000 22.680 9.505 1.00 0.00 N ATOM 194 CA LEU A 200 -2.028 21.709 9.898 1.00 0.00 C ATOM 195 C LEU A 200 -2.351 20.689 8.792 1.00 0.00 C ATOM 196 O LEU A 200 -3.030 19.695 9.039 1.00 0.00 O ATOM 197 CB LEU A 200 -3.279 22.448 10.413 1.00 0.00 C ATOM 198 CG LEU A 200 -3.970 23.347 9.366 1.00 0.00 C ATOM 199 CD1 LEU A 200 -5.004 22.606 8.503 1.00 0.00 C ATOM 200 CD2 LEU A 200 -4.679 24.524 10.049 1.00 0.00 C ATOM 0 H LEU A 200 -1.324 23.645 9.564 1.00 0.00 H new ATOM 0 HA LEU A 200 -1.626 21.110 10.715 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -3.998 21.712 10.772 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -2.996 23.061 11.269 1.00 0.00 H new ATOM 0 HG LEU A 200 -3.170 23.693 8.712 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -5.448 23.301 7.790 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -4.514 21.796 7.963 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -5.784 22.195 9.143 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -5.160 25.146 9.294 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -5.432 24.144 10.740 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -3.949 25.119 10.599 1.00 0.00 H new ATOM 212 N CYS A 201 -1.848 20.952 7.580 1.00 0.00 N ATOM 213 CA CYS A 201 -1.943 20.116 6.395 1.00 0.00 C ATOM 214 C CYS A 201 -0.952 18.948 6.393 1.00 0.00 C ATOM 215 O CYS A 201 -1.171 17.969 5.682 1.00 0.00 O ATOM 216 CB CYS A 201 -1.552 21.003 5.219 1.00 0.00 C ATOM 217 SG CYS A 201 -2.674 22.407 4.996 1.00 0.00 S ATOM 0 H CYS A 201 -1.332 21.813 7.398 1.00 0.00 H new ATOM 0 HA CYS A 201 -2.952 19.705 6.351 1.00 0.00 H new ATOM 0 HB2 CYS A 201 -0.538 21.374 5.371 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -1.539 20.405 4.307 1.00 0.00 H new ATOM 223 N HIS A 202 0.144 19.088 7.151 1.00 0.00 N ATOM 224 CA HIS A 202 1.316 18.224 7.146 1.00 0.00 C ATOM 225 C HIS A 202 1.957 18.181 5.751 1.00 0.00 C ATOM 226 O HIS A 202 1.956 17.144 5.088 1.00 0.00 O ATOM 227 CB HIS A 202 1.019 16.844 7.764 1.00 0.00 C ATOM 228 CG HIS A 202 0.442 16.866 9.163 1.00 0.00 C ATOM 229 ND1 HIS A 202 -0.215 15.822 9.774 1.00 0.00 N ATOM 230 CD2 HIS A 202 0.477 17.894 10.070 1.00 0.00 C ATOM 231 CE1 HIS A 202 -0.566 16.220 11.009 1.00 0.00 C ATOM 232 NE2 HIS A 202 -0.168 17.481 11.239 1.00 0.00 N ATOM 0 H HIS A 202 0.234 19.853 7.820 1.00 0.00 H new ATOM 0 HA HIS A 202 2.072 18.654 7.803 1.00 0.00 H new ATOM 0 HB2 HIS A 202 0.324 16.315 7.112 1.00 0.00 H new ATOM 0 HB3 HIS A 202 1.943 16.266 7.780 1.00 0.00 H new ATOM 0 HD2 HIS A 202 0.928 18.862 9.908 1.00 0.00 H new ATOM 0 HE1 HIS A 202 -1.098 15.607 11.721 1.00 0.00 H new ATOM 0 HE2 HIS A 202 -0.307 18.025 12.090 1.00 0.00 H new ATOM 240 N GLN A 203 2.504 19.330 5.322 1.00 0.00 N ATOM 241 CA GLN A 203 3.269 19.479 4.089 1.00 0.00 C ATOM 242 C GLN A 203 4.610 20.194 4.319 1.00 0.00 C ATOM 243 O GLN A 203 4.799 20.878 5.325 1.00 0.00 O ATOM 244 CB GLN A 203 2.406 20.126 2.985 1.00 0.00 C ATOM 245 CG GLN A 203 2.393 21.665 2.909 1.00 0.00 C ATOM 246 CD GLN A 203 1.740 22.372 4.092 1.00 0.00 C ATOM 247 OE1 GLN A 203 0.612 22.850 3.992 1.00 0.00 O ATOM 248 NE2 GLN A 203 2.443 22.510 5.211 1.00 0.00 N ATOM 0 H GLN A 203 2.419 20.202 5.844 1.00 0.00 H new ATOM 0 HA GLN A 203 3.537 18.484 3.733 1.00 0.00 H new ATOM 0 HB2 GLN A 203 2.747 19.744 2.023 1.00 0.00 H new ATOM 0 HB3 GLN A 203 1.379 19.786 3.117 1.00 0.00 H new ATOM 0 HG2 GLN A 203 3.421 22.016 2.820 1.00 0.00 H new ATOM 0 HG3 GLN A 203 1.874 21.963 1.998 1.00 0.00 H new ATOM 0 HE21 GLN A 203 3.378 22.108 5.279 1.00 0.00 H new ATOM 0 HE22 GLN A 203 2.048 23.018 6.002 1.00 0.00 H new ATOM 257 N VAL A 204 5.532 20.025 3.362 1.00 0.00 N ATOM 258 CA VAL A 204 6.909 20.532 3.388 1.00 0.00 C ATOM 259 C VAL A 204 6.944 22.075 3.267 1.00 0.00 C ATOM 260 O VAL A 204 5.906 22.733 3.187 1.00 0.00 O ATOM 261 CB VAL A 204 7.766 19.832 2.287 1.00 0.00 C ATOM 262 CG1 VAL A 204 9.236 19.664 2.721 1.00 0.00 C ATOM 263 CG2 VAL A 204 7.275 18.421 1.894 1.00 0.00 C ATOM 0 H VAL A 204 5.327 19.506 2.508 1.00 0.00 H new ATOM 0 HA VAL A 204 7.351 20.288 4.354 1.00 0.00 H new ATOM 0 HB VAL A 204 7.665 20.501 1.433 1.00 0.00 H new ATOM 0 HG11 VAL A 204 9.796 19.173 1.926 1.00 0.00 H new ATOM 0 HG12 VAL A 204 9.671 20.644 2.920 1.00 0.00 H new ATOM 0 HG13 VAL A 204 9.281 19.057 3.625 1.00 0.00 H new ATOM 0 HG21 VAL A 204 7.928 18.010 1.124 1.00 0.00 H new ATOM 0 HG22 VAL A 204 7.293 17.772 2.770 1.00 0.00 H new ATOM 0 HG23 VAL A 204 6.257 18.484 1.510 1.00 0.00 H new ATOM 273 N SER A 205 8.159 22.641 3.265 1.00 0.00 N ATOM 274 CA SER A 205 8.487 24.065 3.150 1.00 0.00 C ATOM 275 C SER A 205 7.760 24.802 2.012 1.00 0.00 C ATOM 276 O SER A 205 7.379 24.215 0.999 1.00 0.00 O ATOM 277 CB SER A 205 10.007 24.221 3.013 1.00 0.00 C ATOM 278 OG SER A 205 10.488 23.570 1.854 1.00 0.00 O ATOM 0 H SER A 205 9.000 22.070 3.350 1.00 0.00 H new ATOM 0 HA SER A 205 8.129 24.540 4.063 1.00 0.00 H new ATOM 0 HB2 SER A 205 10.264 25.280 2.971 1.00 0.00 H new ATOM 0 HB3 SER A 205 10.498 23.809 3.894 1.00 0.00 H new ATOM 0 HG SER A 205 11.459 23.688 1.792 1.00 0.00 H new ATOM 284 N TYR A 206 7.596 26.116 2.211 1.00 0.00 N ATOM 285 CA TYR A 206 6.758 27.013 1.415 1.00 0.00 C ATOM 286 C TYR A 206 7.273 28.459 1.513 1.00 0.00 C ATOM 287 O TYR A 206 8.142 28.766 2.331 1.00 0.00 O ATOM 288 CB TYR A 206 5.293 26.897 1.887 1.00 0.00 C ATOM 289 CG TYR A 206 5.065 27.108 3.376 1.00 0.00 C ATOM 290 CD1 TYR A 206 5.434 26.099 4.289 1.00 0.00 C ATOM 291 CD2 TYR A 206 4.473 28.293 3.857 1.00 0.00 C ATOM 292 CE1 TYR A 206 5.275 26.286 5.667 1.00 0.00 C ATOM 293 CE2 TYR A 206 4.237 28.443 5.233 1.00 0.00 C ATOM 294 CZ TYR A 206 4.649 27.450 6.145 1.00 0.00 C ATOM 295 OH TYR A 206 4.430 27.604 7.476 1.00 0.00 O ATOM 0 H TYR A 206 8.070 26.604 2.971 1.00 0.00 H new ATOM 0 HA TYR A 206 6.806 26.724 0.365 1.00 0.00 H new ATOM 0 HB2 TYR A 206 4.695 27.625 1.339 1.00 0.00 H new ATOM 0 HB3 TYR A 206 4.920 25.909 1.617 1.00 0.00 H new ATOM 0 HD1 TYR A 206 5.844 25.170 3.921 1.00 0.00 H new ATOM 0 HD2 TYR A 206 4.202 29.082 3.171 1.00 0.00 H new ATOM 0 HE1 TYR A 206 5.632 25.539 6.360 1.00 0.00 H new ATOM 0 HE2 TYR A 206 3.735 29.328 5.596 1.00 0.00 H new ATOM 0 HH TYR A 206 3.961 28.449 7.635 1.00 0.00 H new ATOM 305 N GLY A 207 6.737 29.342 0.659 1.00 0.00 N ATOM 306 CA GLY A 207 7.269 30.685 0.447 1.00 0.00 C ATOM 307 C GLY A 207 6.888 31.715 1.513 1.00 0.00 C ATOM 308 O GLY A 207 7.746 32.506 1.903 1.00 0.00 O ATOM 0 H GLY A 207 5.914 29.137 0.093 1.00 0.00 H new ATOM 0 HA2 GLY A 207 8.356 30.624 0.397 1.00 0.00 H new ATOM 0 HA3 GLY A 207 6.925 31.045 -0.522 1.00 0.00 H new ATOM 312 N GLU A 208 5.637 31.703 1.999 1.00 0.00 N ATOM 313 CA GLU A 208 5.077 32.753 2.829 1.00 0.00 C ATOM 314 C GLU A 208 4.406 32.147 4.064 1.00 0.00 C ATOM 315 O GLU A 208 3.467 31.357 3.965 1.00 0.00 O ATOM 316 CB GLU A 208 4.174 33.607 1.935 1.00 0.00 C ATOM 317 CG GLU A 208 2.886 32.973 1.359 1.00 0.00 C ATOM 318 CD GLU A 208 3.153 31.824 0.381 1.00 0.00 C ATOM 319 OE1 GLU A 208 3.483 32.128 -0.786 1.00 0.00 O ATOM 320 OE2 GLU A 208 3.053 30.657 0.822 1.00 0.00 O ATOM 0 H GLU A 208 4.982 30.943 1.816 1.00 0.00 H new ATOM 0 HA GLU A 208 5.836 33.417 3.242 1.00 0.00 H new ATOM 0 HB2 GLU A 208 3.882 34.488 2.506 1.00 0.00 H new ATOM 0 HB3 GLU A 208 4.775 33.956 1.095 1.00 0.00 H new ATOM 0 HG2 GLU A 208 2.273 32.604 2.182 1.00 0.00 H new ATOM 0 HG3 GLU A 208 2.307 33.744 0.851 1.00 0.00 H new ATOM 327 N MET A 209 4.923 32.527 5.240 1.00 0.00 N ATOM 328 CA MET A 209 4.654 31.818 6.493 1.00 0.00 C ATOM 329 C MET A 209 4.491 32.717 7.718 1.00 0.00 C ATOM 330 O MET A 209 5.118 33.771 7.834 1.00 0.00 O ATOM 331 CB MET A 209 5.837 30.856 6.806 1.00 0.00 C ATOM 332 CG MET A 209 6.736 30.390 5.641 1.00 0.00 C ATOM 333 SD MET A 209 7.715 28.865 5.856 1.00 0.00 S ATOM 334 CE MET A 209 7.972 28.748 7.647 1.00 0.00 C ATOM 0 H MET A 209 5.538 33.334 5.347 1.00 0.00 H new ATOM 0 HA MET A 209 3.707 31.304 6.327 1.00 0.00 H new ATOM 0 HB2 MET A 209 6.475 31.344 7.542 1.00 0.00 H new ATOM 0 HB3 MET A 209 5.424 29.967 7.282 1.00 0.00 H new ATOM 0 HG2 MET A 209 6.101 30.256 4.765 1.00 0.00 H new ATOM 0 HG3 MET A 209 7.429 31.200 5.412 1.00 0.00 H new ATOM 0 HE1 MET A 209 8.831 28.108 7.850 1.00 0.00 H new ATOM 0 HE2 MET A 209 8.156 29.742 8.054 1.00 0.00 H new ATOM 0 HE3 MET A 209 7.084 28.323 8.115 1.00 0.00 H new ATOM 344 N ILE A 210 3.709 32.198 8.675 1.00 0.00 N ATOM 345 CA ILE A 210 3.578 32.695 10.044 1.00 0.00 C ATOM 346 C ILE A 210 3.289 31.524 10.988 1.00 0.00 C ATOM 347 O ILE A 210 2.730 30.511 10.576 1.00 0.00 O ATOM 348 CB ILE A 210 2.509 33.797 10.118 1.00 0.00 C ATOM 349 CG1 ILE A 210 2.532 34.513 11.485 1.00 0.00 C ATOM 350 CG2 ILE A 210 1.099 33.290 9.750 1.00 0.00 C ATOM 351 CD1 ILE A 210 1.862 35.888 11.453 1.00 0.00 C ATOM 0 H ILE A 210 3.124 31.380 8.503 1.00 0.00 H new ATOM 0 HA ILE A 210 4.514 33.152 10.364 1.00 0.00 H new ATOM 0 HB ILE A 210 2.767 34.535 9.358 1.00 0.00 H new ATOM 0 HG12 ILE A 210 2.031 33.888 12.224 1.00 0.00 H new ATOM 0 HG13 ILE A 210 3.566 34.627 11.812 1.00 0.00 H new ATOM 0 HG21 ILE A 210 0.387 34.112 9.820 1.00 0.00 H new ATOM 0 HG22 ILE A 210 1.106 32.902 8.731 1.00 0.00 H new ATOM 0 HG23 ILE A 210 0.806 32.497 10.438 1.00 0.00 H new ATOM 0 HD11 ILE A 210 1.911 36.340 12.444 1.00 0.00 H new ATOM 0 HD12 ILE A 210 2.378 36.527 10.737 1.00 0.00 H new ATOM 0 HD13 ILE A 210 0.819 35.778 11.156 1.00 0.00 H new ATOM 363 N GLY A 211 3.673 31.668 12.259 1.00 0.00 N ATOM 364 CA GLY A 211 3.664 30.598 13.243 1.00 0.00 C ATOM 365 C GLY A 211 3.010 31.038 14.544 1.00 0.00 C ATOM 366 O GLY A 211 3.090 32.210 14.915 1.00 0.00 O ATOM 0 H GLY A 211 4.006 32.556 12.635 1.00 0.00 H new ATOM 0 HA2 GLY A 211 3.130 29.737 12.840 1.00 0.00 H new ATOM 0 HA3 GLY A 211 4.686 30.276 13.440 1.00 0.00 H new ATOM 370 N CYS A 212 2.330 30.090 15.209 1.00 0.00 N ATOM 371 CA CYS A 212 1.504 30.429 16.369 1.00 0.00 C ATOM 372 C CYS A 212 2.371 30.828 17.562 1.00 0.00 C ATOM 373 O CYS A 212 3.410 30.231 17.840 1.00 0.00 O ATOM 374 CB CYS A 212 0.487 29.356 16.786 1.00 0.00 C ATOM 375 SG CYS A 212 -0.881 30.171 17.674 1.00 0.00 S ATOM 0 H CYS A 212 2.337 29.100 14.965 1.00 0.00 H new ATOM 0 HA CYS A 212 0.907 31.279 16.039 1.00 0.00 H new ATOM 0 HB2 CYS A 212 0.110 28.830 15.909 1.00 0.00 H new ATOM 0 HB3 CYS A 212 0.962 28.611 17.424 1.00 0.00 H new ATOM 0 HG CYS A 212 -1.980 29.503 17.485 1.00 0.00 H new ATOM 380 N ASP A 213 1.871 31.841 18.264 1.00 0.00 N ATOM 381 CA ASP A 213 2.514 32.514 19.389 1.00 0.00 C ATOM 382 C ASP A 213 2.456 31.717 20.708 1.00 0.00 C ATOM 383 O ASP A 213 3.039 32.149 21.703 1.00 0.00 O ATOM 384 CB ASP A 213 1.842 33.892 19.535 1.00 0.00 C ATOM 385 CG ASP A 213 2.586 34.837 20.478 1.00 0.00 C ATOM 386 OD1 ASP A 213 3.682 35.287 20.080 1.00 0.00 O ATOM 387 OD2 ASP A 213 2.029 35.124 21.562 1.00 0.00 O ATOM 0 H ASP A 213 0.955 32.236 18.051 1.00 0.00 H new ATOM 0 HA ASP A 213 3.579 32.611 19.180 1.00 0.00 H new ATOM 0 HB2 ASP A 213 1.768 34.357 18.552 1.00 0.00 H new ATOM 0 HB3 ASP A 213 0.824 33.754 19.900 1.00 0.00 H new ATOM 392 N ASN A 214 1.758 30.571 20.742 1.00 0.00 N ATOM 393 CA ASN A 214 1.459 29.870 21.988 1.00 0.00 C ATOM 394 C ASN A 214 2.673 29.071 22.495 1.00 0.00 C ATOM 395 O ASN A 214 3.397 28.496 21.680 1.00 0.00 O ATOM 396 CB ASN A 214 0.286 28.895 21.794 1.00 0.00 C ATOM 397 CG ASN A 214 -0.980 29.510 21.203 1.00 0.00 C ATOM 398 OD1 ASN A 214 -1.209 30.711 21.276 1.00 0.00 O ATOM 399 ND2 ASN A 214 -1.813 28.665 20.600 1.00 0.00 N ATOM 0 H ASN A 214 1.390 30.111 19.909 1.00 0.00 H new ATOM 0 HA ASN A 214 1.198 30.631 22.723 1.00 0.00 H new ATOM 0 HB2 ASN A 214 0.613 28.083 21.145 1.00 0.00 H new ATOM 0 HB3 ASN A 214 0.039 28.452 22.759 1.00 0.00 H new ATOM 0 HD21 ASN A 214 -2.675 29.012 20.179 1.00 0.00 H new ATOM 0 HD22 ASN A 214 -1.589 27.671 20.559 1.00 0.00 H new ATOM 406 N PRO A 215 2.842 28.932 23.827 1.00 0.00 N ATOM 407 CA PRO A 215 3.812 28.023 24.442 1.00 0.00 C ATOM 408 C PRO A 215 3.350 26.548 24.405 1.00 0.00 C ATOM 409 O PRO A 215 3.979 25.698 25.034 1.00 0.00 O ATOM 410 CB PRO A 215 3.952 28.538 25.880 1.00 0.00 C ATOM 411 CG PRO A 215 2.544 29.038 26.197 1.00 0.00 C ATOM 412 CD PRO A 215 2.087 29.626 24.864 1.00 0.00 C ATOM 0 HA PRO A 215 4.760 28.020 23.904 1.00 0.00 H new ATOM 0 HB2 PRO A 215 4.265 27.749 26.564 1.00 0.00 H new ATOM 0 HB3 PRO A 215 4.691 29.336 25.954 1.00 0.00 H new ATOM 0 HG2 PRO A 215 1.892 28.229 26.527 1.00 0.00 H new ATOM 0 HG3 PRO A 215 2.549 29.787 26.989 1.00 0.00 H new ATOM 0 HD2 PRO A 215 1.015 29.485 24.724 1.00 0.00 H new ATOM 0 HD3 PRO A 215 2.274 30.699 24.828 1.00 0.00 H new ATOM 420 N ASP A 216 2.252 26.253 23.690 1.00 0.00 N ATOM 421 CA ASP A 216 1.541 24.975 23.694 1.00 0.00 C ATOM 422 C ASP A 216 1.210 24.483 22.272 1.00 0.00 C ATOM 423 O ASP A 216 0.808 23.331 22.103 1.00 0.00 O ATOM 424 CB ASP A 216 0.275 25.159 24.549 1.00 0.00 C ATOM 425 CG ASP A 216 -0.531 23.871 24.726 1.00 0.00 C ATOM 426 OD1 ASP A 216 -0.031 22.979 25.445 1.00 0.00 O ATOM 427 OD2 ASP A 216 -1.637 23.808 24.146 1.00 0.00 O ATOM 0 H ASP A 216 1.820 26.935 23.066 1.00 0.00 H new ATOM 0 HA ASP A 216 2.176 24.199 24.120 1.00 0.00 H new ATOM 0 HB2 ASP A 216 0.560 25.538 25.530 1.00 0.00 H new ATOM 0 HB3 ASP A 216 -0.360 25.915 24.087 1.00 0.00 H new ATOM 432 N CYS A 217 1.411 25.321 21.242 1.00 0.00 N ATOM 433 CA CYS A 217 1.262 24.943 19.850 1.00 0.00 C ATOM 434 C CYS A 217 2.251 23.826 19.506 1.00 0.00 C ATOM 435 O CYS A 217 3.436 23.899 19.831 1.00 0.00 O ATOM 436 CB CYS A 217 1.449 26.170 18.954 1.00 0.00 C ATOM 437 SG CYS A 217 1.051 25.772 17.236 1.00 0.00 S ATOM 0 H CYS A 217 1.686 26.295 21.369 1.00 0.00 H new ATOM 0 HA CYS A 217 0.257 24.559 19.677 1.00 0.00 H new ATOM 0 HB2 CYS A 217 0.810 26.982 19.302 1.00 0.00 H new ATOM 0 HB3 CYS A 217 2.478 26.523 19.022 1.00 0.00 H new ATOM 443 N SER A 218 1.727 22.811 18.817 1.00 0.00 N ATOM 444 CA SER A 218 2.423 21.579 18.439 1.00 0.00 C ATOM 445 C SER A 218 2.461 21.409 16.911 1.00 0.00 C ATOM 446 O SER A 218 2.773 20.329 16.413 1.00 0.00 O ATOM 447 CB SER A 218 1.758 20.387 19.141 1.00 0.00 C ATOM 448 OG SER A 218 1.857 20.511 20.546 1.00 0.00 O ATOM 0 H SER A 218 0.760 22.826 18.492 1.00 0.00 H new ATOM 0 HA SER A 218 3.461 21.633 18.766 1.00 0.00 H new ATOM 0 HB2 SER A 218 0.709 20.327 18.850 1.00 0.00 H new ATOM 0 HB3 SER A 218 2.232 19.460 18.819 1.00 0.00 H new ATOM 0 HG SER A 218 1.425 19.742 20.973 1.00 0.00 H new ATOM 454 N ILE A 219 2.162 22.497 16.184 1.00 0.00 N ATOM 455 CA ILE A 219 2.232 22.623 14.729 1.00 0.00 C ATOM 456 C ILE A 219 3.225 23.747 14.365 1.00 0.00 C ATOM 457 O ILE A 219 3.928 23.617 13.366 1.00 0.00 O ATOM 458 CB ILE A 219 0.813 22.880 14.155 1.00 0.00 C ATOM 459 CG1 ILE A 219 -0.248 21.834 14.581 1.00 0.00 C ATOM 460 CG2 ILE A 219 0.809 23.006 12.621 1.00 0.00 C ATOM 461 CD1 ILE A 219 -0.007 20.399 14.089 1.00 0.00 C ATOM 0 H ILE A 219 1.847 23.360 16.627 1.00 0.00 H new ATOM 0 HA ILE A 219 2.597 21.698 14.283 1.00 0.00 H new ATOM 0 HB ILE A 219 0.528 23.834 14.598 1.00 0.00 H new ATOM 0 HG12 ILE A 219 -0.301 21.821 15.670 1.00 0.00 H new ATOM 0 HG13 ILE A 219 -1.222 22.164 14.219 1.00 0.00 H new ATOM 0 HG21 ILE A 219 -0.208 23.185 12.273 1.00 0.00 H new ATOM 0 HG22 ILE A 219 1.446 23.838 12.323 1.00 0.00 H new ATOM 0 HG23 ILE A 219 1.186 22.084 12.179 1.00 0.00 H new ATOM 0 HD11 ILE A 219 -0.809 19.753 14.445 1.00 0.00 H new ATOM 0 HD12 ILE A 219 0.012 20.386 12.999 1.00 0.00 H new ATOM 0 HD13 ILE A 219 0.947 20.038 14.473 1.00 0.00 H new ATOM 473 N GLU A 220 3.312 24.785 15.223 1.00 0.00 N ATOM 474 CA GLU A 220 4.207 25.951 15.268 1.00 0.00 C ATOM 475 C GLU A 220 4.371 26.822 14.013 1.00 0.00 C ATOM 476 O GLU A 220 4.830 27.952 14.155 1.00 0.00 O ATOM 477 CB GLU A 220 5.568 25.582 15.891 1.00 0.00 C ATOM 478 CG GLU A 220 6.426 24.653 15.018 1.00 0.00 C ATOM 479 CD GLU A 220 7.890 24.662 15.457 1.00 0.00 C ATOM 480 OE1 GLU A 220 8.180 24.026 16.494 1.00 0.00 O ATOM 481 OE2 GLU A 220 8.695 25.306 14.748 1.00 0.00 O ATOM 0 H GLU A 220 2.662 24.825 16.008 1.00 0.00 H new ATOM 0 HA GLU A 220 3.651 26.630 15.915 1.00 0.00 H new ATOM 0 HB2 GLU A 220 6.126 26.498 16.086 1.00 0.00 H new ATOM 0 HB3 GLU A 220 5.396 25.102 16.854 1.00 0.00 H new ATOM 0 HG2 GLU A 220 6.035 23.637 15.074 1.00 0.00 H new ATOM 0 HG3 GLU A 220 6.356 24.965 13.976 1.00 0.00 H new ATOM 488 N TRP A 221 3.970 26.363 12.824 1.00 0.00 N ATOM 489 CA TRP A 221 4.034 27.090 11.574 1.00 0.00 C ATOM 490 C TRP A 221 2.818 26.783 10.714 1.00 0.00 C ATOM 491 O TRP A 221 2.244 25.699 10.788 1.00 0.00 O ATOM 492 CB TRP A 221 5.278 26.642 10.821 1.00 0.00 C ATOM 493 CG TRP A 221 6.544 27.307 11.217 1.00 0.00 C ATOM 494 CD1 TRP A 221 7.581 26.714 11.842 1.00 0.00 C ATOM 495 CD2 TRP A 221 6.941 28.690 10.991 1.00 0.00 C ATOM 496 NE1 TRP A 221 8.608 27.617 11.983 1.00 0.00 N ATOM 497 CE2 TRP A 221 8.288 28.840 11.428 1.00 0.00 C ATOM 498 CE3 TRP A 221 6.312 29.822 10.426 1.00 0.00 C ATOM 499 CZ2 TRP A 221 8.994 30.037 11.250 1.00 0.00 C ATOM 500 CZ3 TRP A 221 6.999 31.043 10.294 1.00 0.00 C ATOM 501 CH2 TRP A 221 8.343 31.147 10.689 1.00 0.00 C ATOM 0 H TRP A 221 3.575 25.429 12.713 1.00 0.00 H new ATOM 0 HA TRP A 221 4.062 28.159 11.785 1.00 0.00 H new ATOM 0 HB2 TRP A 221 5.396 25.567 10.958 1.00 0.00 H new ATOM 0 HB3 TRP A 221 5.117 26.812 9.756 1.00 0.00 H new ATOM 0 HD1 TRP A 221 7.602 25.688 12.180 1.00 0.00 H new ATOM 0 HE1 TRP A 221 9.496 27.409 12.441 1.00 0.00 H new ATOM 0 HE3 TRP A 221 5.288 29.749 10.090 1.00 0.00 H new ATOM 0 HZ2 TRP A 221 10.031 30.105 11.542 1.00 0.00 H new ATOM 0 HZ3 TRP A 221 6.490 31.904 9.887 1.00 0.00 H new ATOM 0 HH2 TRP A 221 8.874 32.079 10.561 1.00 0.00 H new ATOM 512 N PHE A 222 2.446 27.764 9.888 1.00 0.00 N ATOM 513 CA PHE A 222 1.239 27.753 9.078 1.00 0.00 C ATOM 514 C PHE A 222 1.427 28.613 7.830 1.00 0.00 C ATOM 515 O PHE A 222 2.223 29.556 7.825 1.00 0.00 O ATOM 516 CB PHE A 222 0.050 28.305 9.886 1.00 0.00 C ATOM 517 CG PHE A 222 -0.263 27.559 11.172 1.00 0.00 C ATOM 518 CD1 PHE A 222 0.455 27.853 12.348 1.00 0.00 C ATOM 519 CD2 PHE A 222 -1.249 26.555 11.191 1.00 0.00 C ATOM 520 CE1 PHE A 222 0.226 27.118 13.521 1.00 0.00 C ATOM 521 CE2 PHE A 222 -1.502 25.841 12.373 1.00 0.00 C ATOM 522 CZ PHE A 222 -0.766 26.124 13.535 1.00 0.00 C ATOM 0 H PHE A 222 2.999 28.612 9.765 1.00 0.00 H new ATOM 0 HA PHE A 222 1.038 26.723 8.784 1.00 0.00 H new ATOM 0 HB2 PHE A 222 0.251 29.348 10.130 1.00 0.00 H new ATOM 0 HB3 PHE A 222 -0.837 28.291 9.252 1.00 0.00 H new ATOM 0 HD1 PHE A 222 1.186 28.648 12.347 1.00 0.00 H new ATOM 0 HD2 PHE A 222 -1.811 26.334 10.296 1.00 0.00 H new ATOM 0 HE1 PHE A 222 0.809 27.316 14.408 1.00 0.00 H new ATOM 0 HE2 PHE A 222 -2.262 25.074 12.389 1.00 0.00 H new ATOM 0 HZ PHE A 222 -0.964 25.575 14.444 1.00 0.00 H new ATOM 532 N HIS A 223 0.655 28.307 6.780 1.00 0.00 N ATOM 533 CA HIS A 223 0.563 29.177 5.613 1.00 0.00 C ATOM 534 C HIS A 223 -0.382 30.321 5.944 1.00 0.00 C ATOM 535 O HIS A 223 -1.377 30.143 6.652 1.00 0.00 O ATOM 536 CB HIS A 223 0.066 28.464 4.334 1.00 0.00 C ATOM 537 CG HIS A 223 0.764 27.198 3.893 1.00 0.00 C ATOM 538 ND1 HIS A 223 0.505 26.533 2.691 1.00 0.00 N ATOM 539 CD2 HIS A 223 1.776 26.554 4.537 1.00 0.00 C ATOM 540 CE1 HIS A 223 1.412 25.548 2.618 1.00 0.00 C ATOM 541 NE2 HIS A 223 2.183 25.531 3.718 1.00 0.00 N ATOM 0 H HIS A 223 0.087 27.462 6.720 1.00 0.00 H new ATOM 0 HA HIS A 223 1.572 29.527 5.394 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -0.989 28.228 4.475 1.00 0.00 H new ATOM 0 HB3 HIS A 223 0.126 29.178 3.513 1.00 0.00 H new ATOM 0 HD2 HIS A 223 2.181 26.801 5.507 1.00 0.00 H new ATOM 0 HE1 HIS A 223 1.509 24.863 1.789 1.00 0.00 H new ATOM 0 HE2 HIS A 223 2.938 24.873 3.911 1.00 0.00 H new ATOM 549 N PHE A 224 -0.076 31.484 5.365 1.00 0.00 N ATOM 550 CA PHE A 224 -0.988 32.624 5.353 1.00 0.00 C ATOM 551 C PHE A 224 -2.343 32.215 4.797 1.00 0.00 C ATOM 552 O PHE A 224 -3.355 32.445 5.443 1.00 0.00 O ATOM 553 CB PHE A 224 -0.389 33.775 4.535 1.00 0.00 C ATOM 554 CG PHE A 224 0.743 34.497 5.230 1.00 0.00 C ATOM 555 CD1 PHE A 224 0.594 35.002 6.535 1.00 0.00 C ATOM 556 CD2 PHE A 224 1.965 34.649 4.562 1.00 0.00 C ATOM 557 CE1 PHE A 224 1.690 35.588 7.186 1.00 0.00 C ATOM 558 CE2 PHE A 224 3.069 35.210 5.216 1.00 0.00 C ATOM 559 CZ PHE A 224 2.937 35.639 6.541 1.00 0.00 C ATOM 0 H PHE A 224 0.811 31.659 4.892 1.00 0.00 H new ATOM 0 HA PHE A 224 -1.131 32.968 6.377 1.00 0.00 H new ATOM 0 HB2 PHE A 224 -0.027 33.382 3.585 1.00 0.00 H new ATOM 0 HB3 PHE A 224 -1.177 34.492 4.304 1.00 0.00 H new ATOM 0 HD1 PHE A 224 -0.362 34.939 7.034 1.00 0.00 H new ATOM 0 HD2 PHE A 224 2.056 34.331 3.534 1.00 0.00 H new ATOM 0 HE1 PHE A 224 1.576 35.998 8.179 1.00 0.00 H new ATOM 0 HE2 PHE A 224 4.014 35.311 4.702 1.00 0.00 H new ATOM 0 HZ PHE A 224 3.800 36.012 7.072 1.00 0.00 H new ATOM 569 N ALA A 225 -2.361 31.533 3.655 1.00 0.00 N ATOM 570 CA ALA A 225 -3.584 31.082 3.019 1.00 0.00 C ATOM 571 C ALA A 225 -4.292 29.950 3.784 1.00 0.00 C ATOM 572 O ALA A 225 -5.469 29.715 3.516 1.00 0.00 O ATOM 573 CB ALA A 225 -3.271 30.659 1.580 1.00 0.00 C ATOM 0 H ALA A 225 -1.516 31.278 3.144 1.00 0.00 H new ATOM 0 HA ALA A 225 -4.284 31.917 3.023 1.00 0.00 H new ATOM 0 HB1 ALA A 225 -4.185 30.318 1.094 1.00 0.00 H new ATOM 0 HB2 ALA A 225 -2.863 31.508 1.032 1.00 0.00 H new ATOM 0 HB3 ALA A 225 -2.542 29.849 1.589 1.00 0.00 H new ATOM 579 N CYS A 226 -3.629 29.277 4.746 1.00 0.00 N ATOM 580 CA CYS A 226 -4.281 28.291 5.603 1.00 0.00 C ATOM 581 C CYS A 226 -5.156 28.936 6.691 1.00 0.00 C ATOM 582 O CYS A 226 -5.974 28.237 7.286 1.00 0.00 O ATOM 583 CB CYS A 226 -3.225 27.380 6.233 1.00 0.00 C ATOM 584 SG CYS A 226 -3.593 25.649 5.838 1.00 0.00 S ATOM 0 H CYS A 226 -2.636 29.406 4.942 1.00 0.00 H new ATOM 0 HA CYS A 226 -4.950 27.702 4.976 1.00 0.00 H new ATOM 0 HB2 CYS A 226 -2.235 27.645 5.862 1.00 0.00 H new ATOM 0 HB3 CYS A 226 -3.208 27.520 7.314 1.00 0.00 H new ATOM 0 HG CYS A 226 -3.670 24.960 6.938 1.00 0.00 H new ATOM 590 N VAL A 227 -5.013 30.254 6.917 1.00 0.00 N ATOM 591 CA VAL A 227 -5.858 31.075 7.786 1.00 0.00 C ATOM 592 C VAL A 227 -6.634 32.137 6.990 1.00 0.00 C ATOM 593 O VAL A 227 -7.579 32.735 7.504 1.00 0.00 O ATOM 594 CB VAL A 227 -5.002 31.669 8.927 1.00 0.00 C ATOM 595 CG1 VAL A 227 -4.060 32.801 8.491 1.00 0.00 C ATOM 596 CG2 VAL A 227 -5.855 32.143 10.115 1.00 0.00 C ATOM 0 H VAL A 227 -4.270 30.795 6.476 1.00 0.00 H new ATOM 0 HA VAL A 227 -6.623 30.447 8.242 1.00 0.00 H new ATOM 0 HB VAL A 227 -4.376 30.834 9.242 1.00 0.00 H new ATOM 0 HG11 VAL A 227 -3.498 33.159 9.353 1.00 0.00 H new ATOM 0 HG12 VAL A 227 -3.368 32.428 7.736 1.00 0.00 H new ATOM 0 HG13 VAL A 227 -4.645 33.621 8.073 1.00 0.00 H new ATOM 0 HG21 VAL A 227 -5.206 32.552 10.889 1.00 0.00 H new ATOM 0 HG22 VAL A 227 -6.549 32.913 9.780 1.00 0.00 H new ATOM 0 HG23 VAL A 227 -6.416 31.300 10.519 1.00 0.00 H new ATOM 606 N GLY A 228 -6.234 32.341 5.731 1.00 0.00 N ATOM 607 CA GLY A 228 -6.825 33.284 4.789 1.00 0.00 C ATOM 608 C GLY A 228 -6.160 34.666 4.809 1.00 0.00 C ATOM 609 O GLY A 228 -6.793 35.633 4.385 1.00 0.00 O ATOM 0 H GLY A 228 -5.452 31.826 5.326 1.00 0.00 H new ATOM 0 HA2 GLY A 228 -6.757 32.871 3.783 1.00 0.00 H new ATOM 0 HA3 GLY A 228 -7.885 33.396 5.016 1.00 0.00 H new ATOM 613 N LEU A 229 -4.921 34.780 5.318 1.00 0.00 N ATOM 614 CA LEU A 229 -4.197 36.042 5.398 1.00 0.00 C ATOM 615 C LEU A 229 -3.659 36.478 4.029 1.00 0.00 C ATOM 616 O LEU A 229 -3.489 35.670 3.116 1.00 0.00 O ATOM 617 CB LEU A 229 -3.055 35.955 6.433 1.00 0.00 C ATOM 618 CG LEU A 229 -3.451 36.378 7.864 1.00 0.00 C ATOM 619 CD1 LEU A 229 -2.261 36.139 8.803 1.00 0.00 C ATOM 620 CD2 LEU A 229 -3.855 37.859 7.963 1.00 0.00 C ATOM 0 H LEU A 229 -4.397 33.986 5.686 1.00 0.00 H new ATOM 0 HA LEU A 229 -4.905 36.803 5.728 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -2.685 34.930 6.461 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -2.230 36.583 6.098 1.00 0.00 H new ATOM 0 HG LEU A 229 -4.316 35.778 8.146 1.00 0.00 H new ATOM 0 HD11 LEU A 229 -2.532 36.435 9.816 1.00 0.00 H new ATOM 0 HD12 LEU A 229 -1.996 35.082 8.793 1.00 0.00 H new ATOM 0 HD13 LEU A 229 -1.409 36.730 8.468 1.00 0.00 H new ATOM 0 HD21 LEU A 229 -4.122 38.095 8.993 1.00 0.00 H new ATOM 0 HD22 LEU A 229 -3.019 38.486 7.652 1.00 0.00 H new ATOM 0 HD23 LEU A 229 -4.710 38.047 7.314 1.00 0.00 H new ATOM 632 N THR A 230 -3.364 37.782 3.935 1.00 0.00 N ATOM 633 CA THR A 230 -2.882 38.469 2.733 1.00 0.00 C ATOM 634 C THR A 230 -1.687 39.387 3.059 1.00 0.00 C ATOM 635 O THR A 230 -0.901 39.695 2.164 1.00 0.00 O ATOM 636 CB THR A 230 -4.058 39.253 2.108 1.00 0.00 C ATOM 637 OG1 THR A 230 -5.108 38.367 1.774 1.00 0.00 O ATOM 638 CG2 THR A 230 -3.690 40.022 0.833 1.00 0.00 C ATOM 0 H THR A 230 -3.460 38.413 4.731 1.00 0.00 H new ATOM 0 HA THR A 230 -2.519 37.738 2.010 1.00 0.00 H new ATOM 0 HB THR A 230 -4.354 39.977 2.867 1.00 0.00 H new ATOM 0 HG1 THR A 230 -5.850 38.872 1.380 1.00 0.00 H new ATOM 0 HG21 THR A 230 -4.569 40.545 0.457 1.00 0.00 H new ATOM 0 HG22 THR A 230 -2.906 40.745 1.058 1.00 0.00 H new ATOM 0 HG23 THR A 230 -3.333 39.323 0.077 1.00 0.00 H new ATOM 646 N THR A 231 -1.512 39.771 4.335 1.00 0.00 N ATOM 647 CA THR A 231 -0.415 40.604 4.831 1.00 0.00 C ATOM 648 C THR A 231 -0.005 40.072 6.208 1.00 0.00 C ATOM 649 O THR A 231 -0.867 39.773 7.031 1.00 0.00 O ATOM 650 CB THR A 231 -0.870 42.076 4.923 1.00 0.00 C ATOM 651 OG1 THR A 231 -1.281 42.549 3.657 1.00 0.00 O ATOM 652 CG2 THR A 231 0.242 43.004 5.429 1.00 0.00 C ATOM 0 H THR A 231 -2.159 39.496 5.074 1.00 0.00 H new ATOM 0 HA THR A 231 0.436 40.563 4.152 1.00 0.00 H new ATOM 0 HB THR A 231 -1.697 42.092 5.633 1.00 0.00 H new ATOM 0 HG1 THR A 231 -1.568 43.483 3.734 1.00 0.00 H new ATOM 0 HG21 THR A 231 -0.131 44.027 5.475 1.00 0.00 H new ATOM 0 HG22 THR A 231 0.556 42.687 6.424 1.00 0.00 H new ATOM 0 HG23 THR A 231 1.092 42.958 4.748 1.00 0.00 H new ATOM 660 N LYS A 232 1.310 39.959 6.446 1.00 0.00 N ATOM 661 CA LYS A 232 1.902 39.405 7.663 1.00 0.00 C ATOM 662 C LYS A 232 1.699 40.345 8.871 1.00 0.00 C ATOM 663 O LYS A 232 2.269 41.437 8.870 1.00 0.00 O ATOM 664 CB LYS A 232 3.404 39.176 7.395 1.00 0.00 C ATOM 665 CG LYS A 232 4.158 38.572 8.595 1.00 0.00 C ATOM 666 CD LYS A 232 5.675 38.480 8.366 1.00 0.00 C ATOM 667 CE LYS A 232 6.057 37.509 7.245 1.00 0.00 C ATOM 668 NZ LYS A 232 7.514 37.490 7.018 1.00 0.00 N ATOM 0 H LYS A 232 2.011 40.263 5.770 1.00 0.00 H new ATOM 0 HA LYS A 232 1.412 38.464 7.914 1.00 0.00 H new ATOM 0 HB2 LYS A 232 3.515 38.514 6.536 1.00 0.00 H new ATOM 0 HB3 LYS A 232 3.866 40.126 7.127 1.00 0.00 H new ATOM 0 HG2 LYS A 232 3.966 39.178 9.480 1.00 0.00 H new ATOM 0 HG3 LYS A 232 3.766 37.576 8.799 1.00 0.00 H new ATOM 0 HD2 LYS A 232 6.061 39.471 8.127 1.00 0.00 H new ATOM 0 HD3 LYS A 232 6.157 38.165 9.291 1.00 0.00 H new ATOM 0 HE2 LYS A 232 5.714 36.506 7.499 1.00 0.00 H new ATOM 0 HE3 LYS A 232 5.548 37.796 6.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 7.737 36.822 6.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 7.836 38.442 6.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 7.997 37.192 7.889 1.00 0.00 H new ATOM 682 N PRO A 233 0.946 39.942 9.919 1.00 0.00 N ATOM 683 CA PRO A 233 0.908 40.656 11.194 1.00 0.00 C ATOM 684 C PRO A 233 2.144 40.294 12.039 1.00 0.00 C ATOM 685 O PRO A 233 2.792 39.273 11.795 1.00 0.00 O ATOM 686 CB PRO A 233 -0.383 40.187 11.868 1.00 0.00 C ATOM 687 CG PRO A 233 -0.510 38.742 11.395 1.00 0.00 C ATOM 688 CD PRO A 233 0.077 38.773 9.984 1.00 0.00 C ATOM 0 HA PRO A 233 0.924 41.739 11.071 1.00 0.00 H new ATOM 0 HB2 PRO A 233 -0.318 40.252 12.954 1.00 0.00 H new ATOM 0 HB3 PRO A 233 -1.239 40.789 11.563 1.00 0.00 H new ATOM 0 HG2 PRO A 233 0.039 38.058 12.043 1.00 0.00 H new ATOM 0 HG3 PRO A 233 -1.549 38.412 11.390 1.00 0.00 H new ATOM 0 HD2 PRO A 233 0.638 37.861 9.778 1.00 0.00 H new ATOM 0 HD3 PRO A 233 -0.714 38.836 9.237 1.00 0.00 H new ATOM 696 N ARG A 234 2.458 41.114 13.053 1.00 0.00 N ATOM 697 CA ARG A 234 3.613 40.920 13.917 1.00 0.00 C ATOM 698 C ARG A 234 3.331 41.482 15.311 1.00 0.00 C ATOM 699 O ARG A 234 2.780 42.570 15.474 1.00 0.00 O ATOM 700 CB ARG A 234 4.838 41.587 13.277 1.00 0.00 C ATOM 701 CG ARG A 234 6.149 41.245 14.003 1.00 0.00 C ATOM 702 CD ARG A 234 7.379 41.731 13.224 1.00 0.00 C ATOM 703 NE ARG A 234 7.430 43.200 13.115 1.00 0.00 N ATOM 704 CZ ARG A 234 8.014 44.040 13.983 1.00 0.00 C ATOM 705 NH1 ARG A 234 8.631 43.604 15.084 1.00 0.00 N ATOM 706 NH2 ARG A 234 7.982 45.351 13.742 1.00 0.00 N ATOM 0 H ARG A 234 1.905 41.937 13.292 1.00 0.00 H new ATOM 0 HA ARG A 234 3.818 39.855 14.030 1.00 0.00 H new ATOM 0 HB2 ARG A 234 4.913 41.275 12.235 1.00 0.00 H new ATOM 0 HB3 ARG A 234 4.699 42.668 13.277 1.00 0.00 H new ATOM 0 HG2 ARG A 234 6.144 41.699 14.994 1.00 0.00 H new ATOM 0 HG3 ARG A 234 6.213 40.166 14.147 1.00 0.00 H new ATOM 0 HD2 ARG A 234 8.283 41.374 13.718 1.00 0.00 H new ATOM 0 HD3 ARG A 234 7.369 41.295 12.225 1.00 0.00 H new ATOM 0 HE ARG A 234 6.978 43.618 12.302 1.00 0.00 H new ATOM 0 HH11 ARG A 234 8.668 42.605 15.286 1.00 0.00 H new ATOM 0 HH12 ARG A 234 9.065 44.270 15.723 1.00 0.00 H new ATOM 0 HH21 ARG A 234 7.517 45.705 12.906 1.00 0.00 H new ATOM 0 HH22 ARG A 234 8.422 46.000 14.394 1.00 0.00 H new ATOM 720 N GLY A 235 3.742 40.687 16.298 1.00 0.00 N ATOM 721 CA GLY A 235 3.622 40.923 17.733 1.00 0.00 C ATOM 722 C GLY A 235 3.178 39.626 18.409 1.00 0.00 C ATOM 723 O GLY A 235 3.922 39.051 19.200 1.00 0.00 O ATOM 0 H GLY A 235 4.200 39.798 16.100 1.00 0.00 H new ATOM 0 HA2 GLY A 235 4.576 41.255 18.142 1.00 0.00 H new ATOM 0 HA3 GLY A 235 2.900 41.716 17.926 1.00 0.00 H new ATOM 727 N LYS A 236 1.983 39.157 18.024 1.00 0.00 N ATOM 728 CA LYS A 236 1.423 37.843 18.330 1.00 0.00 C ATOM 729 C LYS A 236 0.290 37.556 17.343 1.00 0.00 C ATOM 730 O LYS A 236 -0.439 38.460 16.930 1.00 0.00 O ATOM 731 CB LYS A 236 0.935 37.750 19.788 1.00 0.00 C ATOM 732 CG LYS A 236 -0.144 38.763 20.201 1.00 0.00 C ATOM 733 CD LYS A 236 -0.527 38.544 21.674 1.00 0.00 C ATOM 734 CE LYS A 236 -1.663 39.470 22.121 1.00 0.00 C ATOM 735 NZ LYS A 236 -1.248 40.885 22.149 1.00 0.00 N ATOM 0 H LYS A 236 1.349 39.721 17.458 1.00 0.00 H new ATOM 0 HA LYS A 236 2.203 37.089 18.224 1.00 0.00 H new ATOM 0 HB2 LYS A 236 0.547 36.746 19.957 1.00 0.00 H new ATOM 0 HB3 LYS A 236 1.794 37.875 20.447 1.00 0.00 H new ATOM 0 HG2 LYS A 236 0.224 39.779 20.059 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -1.023 38.651 19.566 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -0.828 37.506 21.819 1.00 0.00 H new ATOM 0 HD3 LYS A 236 0.346 38.713 22.304 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -2.511 39.355 21.446 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -2.003 39.173 23.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -2.037 41.471 22.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -0.434 40.996 22.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -0.980 41.187 21.191 1.00 0.00 H new ATOM 749 N TRP A 237 0.151 36.280 16.980 1.00 0.00 N ATOM 750 CA TRP A 237 -0.805 35.772 16.023 1.00 0.00 C ATOM 751 C TRP A 237 -1.242 34.367 16.438 1.00 0.00 C ATOM 752 O TRP A 237 -0.500 33.627 17.087 1.00 0.00 O ATOM 753 CB TRP A 237 -0.119 35.760 14.657 1.00 0.00 C ATOM 754 CG TRP A 237 -0.860 35.077 13.560 1.00 0.00 C ATOM 755 CD1 TRP A 237 -1.759 35.625 12.726 1.00 0.00 C ATOM 756 CD2 TRP A 237 -0.803 33.674 13.205 1.00 0.00 C ATOM 757 NE1 TRP A 237 -2.256 34.660 11.871 1.00 0.00 N ATOM 758 CE2 TRP A 237 -1.695 33.424 12.126 1.00 0.00 C ATOM 759 CE3 TRP A 237 -0.096 32.587 13.740 1.00 0.00 C ATOM 760 CZ2 TRP A 237 -1.850 32.139 11.583 1.00 0.00 C ATOM 761 CZ3 TRP A 237 -0.267 31.292 13.231 1.00 0.00 C ATOM 762 CH2 TRP A 237 -1.124 31.072 12.138 1.00 0.00 C ATOM 0 H TRP A 237 0.738 35.543 17.372 1.00 0.00 H new ATOM 0 HA TRP A 237 -1.698 36.395 15.980 1.00 0.00 H new ATOM 0 HB2 TRP A 237 0.066 36.791 14.356 1.00 0.00 H new ATOM 0 HB3 TRP A 237 0.854 35.280 14.765 1.00 0.00 H new ATOM 0 HD1 TRP A 237 -2.050 36.665 12.724 1.00 0.00 H new ATOM 0 HE1 TRP A 237 -2.949 34.838 11.144 1.00 0.00 H new ATOM 0 HE3 TRP A 237 0.591 32.750 14.557 1.00 0.00 H new ATOM 0 HZ2 TRP A 237 -2.518 31.973 10.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 237 0.260 30.462 13.679 1.00 0.00 H new ATOM 0 HH2 TRP A 237 -1.224 30.080 11.724 1.00 0.00 H new ATOM 773 N PHE A 238 -2.461 34.014 16.021 1.00 0.00 N ATOM 774 CA PHE A 238 -3.133 32.775 16.374 1.00 0.00 C ATOM 775 C PHE A 238 -3.636 32.077 15.116 1.00 0.00 C ATOM 776 O PHE A 238 -4.315 32.677 14.282 1.00 0.00 O ATOM 777 CB PHE A 238 -4.267 33.051 17.374 1.00 0.00 C ATOM 778 CG PHE A 238 -3.812 33.306 18.805 1.00 0.00 C ATOM 779 CD1 PHE A 238 -3.119 34.485 19.150 1.00 0.00 C ATOM 780 CD2 PHE A 238 -4.078 32.349 19.804 1.00 0.00 C ATOM 781 CE1 PHE A 238 -2.637 34.669 20.459 1.00 0.00 C ATOM 782 CE2 PHE A 238 -3.620 32.545 21.117 1.00 0.00 C ATOM 783 CZ PHE A 238 -2.876 33.691 21.440 1.00 0.00 C ATOM 0 H PHE A 238 -3.020 34.607 15.408 1.00 0.00 H new ATOM 0 HA PHE A 238 -2.426 32.104 16.862 1.00 0.00 H new ATOM 0 HB2 PHE A 238 -4.834 33.916 17.029 1.00 0.00 H new ATOM 0 HB3 PHE A 238 -4.949 32.201 17.371 1.00 0.00 H new ATOM 0 HD1 PHE A 238 -2.957 35.251 18.406 1.00 0.00 H new ATOM 0 HD2 PHE A 238 -4.638 31.459 19.558 1.00 0.00 H new ATOM 0 HE1 PHE A 238 -2.083 35.562 20.710 1.00 0.00 H new ATOM 0 HE2 PHE A 238 -3.840 31.813 21.880 1.00 0.00 H new ATOM 0 HZ PHE A 238 -2.488 33.821 22.440 1.00 0.00 H new ATOM 793 N CYS A 239 -3.285 30.788 15.010 1.00 0.00 N ATOM 794 CA CYS A 239 -3.684 29.911 13.918 1.00 0.00 C ATOM 795 C CYS A 239 -5.206 29.668 13.891 1.00 0.00 C ATOM 796 O CYS A 239 -5.891 30.020 14.856 1.00 0.00 O ATOM 797 CB CYS A 239 -2.821 28.642 13.968 1.00 0.00 C ATOM 798 SG CYS A 239 -3.589 27.284 14.891 1.00 0.00 S ATOM 0 H CYS A 239 -2.700 30.321 15.703 1.00 0.00 H new ATOM 0 HA CYS A 239 -3.494 30.390 12.958 1.00 0.00 H new ATOM 0 HB2 CYS A 239 -2.617 28.310 12.950 1.00 0.00 H new ATOM 0 HB3 CYS A 239 -1.860 28.883 14.423 1.00 0.00 H new ATOM 0 HG CYS A 239 -3.365 27.442 16.162 1.00 0.00 H new ATOM 804 N PRO A 240 -5.771 29.077 12.817 1.00 0.00 N ATOM 805 CA PRO A 240 -7.216 28.941 12.700 1.00 0.00 C ATOM 806 C PRO A 240 -7.803 27.969 13.728 1.00 0.00 C ATOM 807 O PRO A 240 -8.933 28.169 14.166 1.00 0.00 O ATOM 808 CB PRO A 240 -7.490 28.489 11.262 1.00 0.00 C ATOM 809 CG PRO A 240 -6.197 27.782 10.870 1.00 0.00 C ATOM 810 CD PRO A 240 -5.119 28.557 11.624 1.00 0.00 C ATOM 0 HA PRO A 240 -7.705 29.892 12.913 1.00 0.00 H new ATOM 0 HB2 PRO A 240 -8.348 27.820 11.206 1.00 0.00 H new ATOM 0 HB3 PRO A 240 -7.702 29.334 10.607 1.00 0.00 H new ATOM 0 HG2 PRO A 240 -6.211 26.731 11.159 1.00 0.00 H new ATOM 0 HG3 PRO A 240 -6.034 27.814 9.793 1.00 0.00 H new ATOM 0 HD2 PRO A 240 -4.282 27.910 11.886 1.00 0.00 H new ATOM 0 HD3 PRO A 240 -4.718 29.366 11.013 1.00 0.00 H new ATOM 818 N ARG A 241 -7.023 26.968 14.162 1.00 0.00 N ATOM 819 CA ARG A 241 -7.399 26.019 15.201 1.00 0.00 C ATOM 820 C ARG A 241 -7.040 26.507 16.615 1.00 0.00 C ATOM 821 O ARG A 241 -7.080 25.722 17.561 1.00 0.00 O ATOM 822 CB ARG A 241 -6.820 24.631 14.883 1.00 0.00 C ATOM 823 CG ARG A 241 -7.318 24.114 13.518 1.00 0.00 C ATOM 824 CD ARG A 241 -7.477 22.591 13.492 1.00 0.00 C ATOM 825 NE ARG A 241 -8.606 22.181 14.341 1.00 0.00 N ATOM 826 CZ ARG A 241 -9.109 20.948 14.468 1.00 0.00 C ATOM 827 NH1 ARG A 241 -8.599 19.908 13.805 1.00 0.00 N ATOM 828 NH2 ARG A 241 -10.148 20.763 15.282 1.00 0.00 N ATOM 0 H ARG A 241 -6.090 26.798 13.785 1.00 0.00 H new ATOM 0 HA ARG A 241 -8.486 25.937 15.202 1.00 0.00 H new ATOM 0 HB2 ARG A 241 -5.731 24.681 14.880 1.00 0.00 H new ATOM 0 HB3 ARG A 241 -7.104 23.928 15.666 1.00 0.00 H new ATOM 0 HG2 ARG A 241 -8.275 24.580 13.283 1.00 0.00 H new ATOM 0 HG3 ARG A 241 -6.617 24.416 12.740 1.00 0.00 H new ATOM 0 HD2 ARG A 241 -7.641 22.253 12.469 1.00 0.00 H new ATOM 0 HD3 ARG A 241 -6.560 22.117 13.841 1.00 0.00 H new ATOM 0 HE ARG A 241 -9.053 22.915 14.891 1.00 0.00 H new ATOM 0 HH11 ARG A 241 -7.804 20.042 13.181 1.00 0.00 H new ATOM 0 HH12 ARG A 241 -9.005 18.980 13.923 1.00 0.00 H new ATOM 0 HH21 ARG A 241 -10.543 21.553 15.792 1.00 0.00 H new ATOM 0 HH22 ARG A 241 -10.548 19.832 15.395 1.00 0.00 H new ATOM 842 N CYS A 242 -6.703 27.797 16.761 1.00 0.00 N ATOM 843 CA CYS A 242 -6.306 28.432 18.001 1.00 0.00 C ATOM 844 C CYS A 242 -7.081 29.724 18.299 1.00 0.00 C ATOM 845 O CYS A 242 -7.055 30.169 19.446 1.00 0.00 O ATOM 846 CB CYS A 242 -4.811 28.740 17.904 1.00 0.00 C ATOM 847 SG CYS A 242 -3.796 27.284 18.293 1.00 0.00 S ATOM 0 H CYS A 242 -6.704 28.446 15.974 1.00 0.00 H new ATOM 0 HA CYS A 242 -6.531 27.749 18.821 1.00 0.00 H new ATOM 0 HB2 CYS A 242 -4.576 29.089 16.898 1.00 0.00 H new ATOM 0 HB3 CYS A 242 -4.562 29.551 18.589 1.00 0.00 H new ATOM 0 HG CYS A 242 -2.537 27.594 18.195 1.00 0.00 H new ATOM 853 N SER A 243 -7.773 30.312 17.311 1.00 0.00 N ATOM 854 CA SER A 243 -8.623 31.485 17.522 1.00 0.00 C ATOM 855 C SER A 243 -9.787 31.567 16.529 1.00 0.00 C ATOM 856 O SER A 243 -10.861 32.025 16.913 1.00 0.00 O ATOM 857 CB SER A 243 -7.760 32.752 17.447 1.00 0.00 C ATOM 858 OG SER A 243 -8.525 33.911 17.701 1.00 0.00 O ATOM 0 H SER A 243 -7.756 29.985 16.345 1.00 0.00 H new ATOM 0 HA SER A 243 -9.073 31.394 18.510 1.00 0.00 H new ATOM 0 HB2 SER A 243 -6.948 32.684 18.171 1.00 0.00 H new ATOM 0 HB3 SER A 243 -7.303 32.825 16.460 1.00 0.00 H new ATOM 0 HG SER A 243 -7.948 34.702 17.648 1.00 0.00 H new ATOM 864 N GLN A 244 -9.607 31.109 15.280 1.00 0.00 N ATOM 865 CA GLN A 244 -10.663 31.189 14.263 1.00 0.00 C ATOM 866 C GLN A 244 -11.789 30.159 14.492 1.00 0.00 C ATOM 867 O GLN A 244 -12.870 30.324 13.928 1.00 0.00 O ATOM 868 CB GLN A 244 -10.057 31.084 12.850 1.00 0.00 C ATOM 869 CG GLN A 244 -10.897 31.708 11.722 1.00 0.00 C ATOM 870 CD GLN A 244 -10.807 33.237 11.671 1.00 0.00 C ATOM 871 OE1 GLN A 244 -11.146 33.929 12.626 1.00 0.00 O ATOM 872 NE2 GLN A 244 -10.347 33.785 10.546 1.00 0.00 N ATOM 0 H GLN A 244 -8.741 30.681 14.952 1.00 0.00 H new ATOM 0 HA GLN A 244 -11.136 32.166 14.357 1.00 0.00 H new ATOM 0 HB2 GLN A 244 -9.077 31.562 12.857 1.00 0.00 H new ATOM 0 HB3 GLN A 244 -9.896 30.031 12.620 1.00 0.00 H new ATOM 0 HG2 GLN A 244 -10.569 31.300 10.766 1.00 0.00 H new ATOM 0 HG3 GLN A 244 -11.939 31.417 11.852 1.00 0.00 H new ATOM 0 HE21 GLN A 244 -10.071 33.190 9.765 1.00 0.00 H new ATOM 0 HE22 GLN A 244 -10.271 34.799 10.467 1.00 0.00 H new ATOM 881 N GLU A 245 -11.588 29.146 15.357 1.00 0.00 N ATOM 882 CA GLU A 245 -12.665 28.252 15.801 1.00 0.00 C ATOM 883 C GLU A 245 -13.708 28.963 16.692 1.00 0.00 C ATOM 884 O GLU A 245 -14.733 28.362 17.013 1.00 0.00 O ATOM 885 CB GLU A 245 -12.090 26.992 16.479 1.00 0.00 C ATOM 886 CG GLU A 245 -11.560 25.984 15.443 1.00 0.00 C ATOM 887 CD GLU A 245 -11.260 24.604 16.043 1.00 0.00 C ATOM 888 OE1 GLU A 245 -12.215 23.969 16.543 1.00 0.00 O ATOM 889 OE2 GLU A 245 -10.089 24.175 15.958 1.00 0.00 O ATOM 0 H GLU A 245 -10.678 28.929 15.763 1.00 0.00 H new ATOM 0 HA GLU A 245 -13.204 27.937 14.908 1.00 0.00 H new ATOM 0 HB2 GLU A 245 -11.284 27.277 17.155 1.00 0.00 H new ATOM 0 HB3 GLU A 245 -12.863 26.519 17.085 1.00 0.00 H new ATOM 0 HG2 GLU A 245 -12.293 25.874 14.644 1.00 0.00 H new ATOM 0 HG3 GLU A 245 -10.652 26.382 14.990 1.00 0.00 H new ATOM 896 N ARG A 246 -13.488 30.240 17.053 1.00 0.00 N ATOM 897 CA ARG A 246 -14.480 31.105 17.695 1.00 0.00 C ATOM 898 C ARG A 246 -15.636 31.467 16.740 1.00 0.00 C ATOM 899 O ARG A 246 -16.725 31.792 17.211 1.00 0.00 O ATOM 900 CB ARG A 246 -13.757 32.371 18.196 1.00 0.00 C ATOM 901 CG ARG A 246 -14.604 33.349 19.026 1.00 0.00 C ATOM 902 CD ARG A 246 -15.182 32.706 20.294 1.00 0.00 C ATOM 903 NE ARG A 246 -15.869 33.697 21.139 1.00 0.00 N ATOM 904 CZ ARG A 246 -15.288 34.510 22.036 1.00 0.00 C ATOM 905 NH1 ARG A 246 -13.970 34.499 22.249 1.00 0.00 N ATOM 906 NH2 ARG A 246 -16.044 35.356 22.736 1.00 0.00 N ATOM 0 H ARG A 246 -12.593 30.705 16.901 1.00 0.00 H new ATOM 0 HA ARG A 246 -14.933 30.574 18.532 1.00 0.00 H new ATOM 0 HB2 ARG A 246 -12.902 32.063 18.797 1.00 0.00 H new ATOM 0 HB3 ARG A 246 -13.363 32.906 17.332 1.00 0.00 H new ATOM 0 HG2 ARG A 246 -13.992 34.206 19.306 1.00 0.00 H new ATOM 0 HG3 ARG A 246 -15.421 33.728 18.411 1.00 0.00 H new ATOM 0 HD2 ARG A 246 -15.881 31.917 20.016 1.00 0.00 H new ATOM 0 HD3 ARG A 246 -14.380 32.236 20.863 1.00 0.00 H new ATOM 0 HE ARG A 246 -16.881 33.773 21.033 1.00 0.00 H new ATOM 0 HH11 ARG A 246 -13.374 33.860 21.723 1.00 0.00 H new ATOM 0 HH12 ARG A 246 -13.559 35.129 22.938 1.00 0.00 H new ATOM 0 HH21 ARG A 246 -17.053 35.381 22.588 1.00 0.00 H new ATOM 0 HH22 ARG A 246 -15.614 35.978 23.420 1.00 0.00 H new ATOM 920 N LYS A 247 -15.410 31.392 15.417 1.00 0.00 N ATOM 921 CA LYS A 247 -16.389 31.691 14.374 1.00 0.00 C ATOM 922 C LYS A 247 -16.134 30.770 13.171 1.00 0.00 C ATOM 923 O LYS A 247 -15.623 31.195 12.134 1.00 0.00 O ATOM 924 CB LYS A 247 -16.350 33.192 14.025 1.00 0.00 C ATOM 925 CG LYS A 247 -17.531 33.600 13.123 1.00 0.00 C ATOM 926 CD LYS A 247 -17.494 35.079 12.714 1.00 0.00 C ATOM 927 CE LYS A 247 -17.666 36.012 13.917 1.00 0.00 C ATOM 928 NZ LYS A 247 -17.692 37.428 13.503 1.00 0.00 N ATOM 0 H LYS A 247 -14.506 31.111 15.038 1.00 0.00 H new ATOM 0 HA LYS A 247 -17.402 31.491 14.722 1.00 0.00 H new ATOM 0 HB2 LYS A 247 -16.374 33.779 14.943 1.00 0.00 H new ATOM 0 HB3 LYS A 247 -15.411 33.424 13.522 1.00 0.00 H new ATOM 0 HG2 LYS A 247 -17.526 32.981 12.226 1.00 0.00 H new ATOM 0 HG3 LYS A 247 -18.466 33.397 13.645 1.00 0.00 H new ATOM 0 HD2 LYS A 247 -16.546 35.295 12.220 1.00 0.00 H new ATOM 0 HD3 LYS A 247 -18.283 35.274 11.988 1.00 0.00 H new ATOM 0 HE2 LYS A 247 -18.591 35.767 14.439 1.00 0.00 H new ATOM 0 HE3 LYS A 247 -16.850 35.853 14.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 247 -17.810 38.033 14.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 247 -16.799 37.667 13.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 247 -18.486 37.584 12.849 1.00 0.00 H new ATOM 942 N LYS A 248 -16.464 29.483 13.349 1.00 0.00 N ATOM 943 CA LYS A 248 -16.337 28.443 12.328 1.00 0.00 C ATOM 944 C LYS A 248 -17.244 28.737 11.127 1.00 0.00 C ATOM 945 O LYS A 248 -18.367 29.217 11.294 1.00 0.00 O ATOM 946 CB LYS A 248 -16.696 27.074 12.930 1.00 0.00 C ATOM 947 CG LYS A 248 -15.718 26.662 14.037 1.00 0.00 C ATOM 948 CD LYS A 248 -16.081 25.305 14.648 1.00 0.00 C ATOM 949 CE LYS A 248 -15.072 24.987 15.751 1.00 0.00 C ATOM 950 NZ LYS A 248 -15.305 23.667 16.361 1.00 0.00 N ATOM 0 H LYS A 248 -16.836 29.131 14.231 1.00 0.00 H new ATOM 0 HA LYS A 248 -15.304 28.429 11.981 1.00 0.00 H new ATOM 0 HB2 LYS A 248 -17.708 27.109 13.334 1.00 0.00 H new ATOM 0 HB3 LYS A 248 -16.693 26.319 12.143 1.00 0.00 H new ATOM 0 HG2 LYS A 248 -14.708 26.618 13.630 1.00 0.00 H new ATOM 0 HG3 LYS A 248 -15.714 27.422 14.818 1.00 0.00 H new ATOM 0 HD2 LYS A 248 -17.092 25.330 15.055 1.00 0.00 H new ATOM 0 HD3 LYS A 248 -16.064 24.528 13.883 1.00 0.00 H new ATOM 0 HE2 LYS A 248 -14.064 25.021 15.338 1.00 0.00 H new ATOM 0 HE3 LYS A 248 -15.126 25.755 16.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 248 -14.395 23.251 16.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 248 -15.914 23.774 17.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 248 -15.771 23.043 15.671 1.00 0.00 H new ATOM 964 N LYS A 249 -16.750 28.404 9.928 1.00 0.00 N ATOM 965 CA LYS A 249 -17.443 28.549 8.649 1.00 0.00 C ATOM 966 C LYS A 249 -17.013 27.415 7.714 1.00 0.00 C ATOM 967 O LYS A 249 -15.788 27.180 7.614 1.00 0.00 O ATOM 968 CB LYS A 249 -17.134 29.911 7.999 1.00 0.00 C ATOM 969 CG LYS A 249 -17.732 31.101 8.766 1.00 0.00 C ATOM 970 CD LYS A 249 -17.549 32.407 7.986 1.00 0.00 C ATOM 971 CE LYS A 249 -18.174 33.568 8.762 1.00 0.00 C ATOM 972 NZ LYS A 249 -18.063 34.833 8.014 1.00 0.00 N ATOM 973 OXT LYS A 249 -17.924 26.803 7.116 1.00 0.00 O ATOM 0 H LYS A 249 -15.815 28.009 9.822 1.00 0.00 H new ATOM 0 HA LYS A 249 -18.517 28.499 8.826 1.00 0.00 H new ATOM 0 HB2 LYS A 249 -16.053 30.037 7.932 1.00 0.00 H new ATOM 0 HB3 LYS A 249 -17.519 29.915 6.979 1.00 0.00 H new ATOM 0 HG2 LYS A 249 -18.793 30.926 8.945 1.00 0.00 H new ATOM 0 HG3 LYS A 249 -17.254 31.186 9.742 1.00 0.00 H new ATOM 0 HD2 LYS A 249 -16.488 32.597 7.821 1.00 0.00 H new ATOM 0 HD3 LYS A 249 -18.014 32.322 7.004 1.00 0.00 H new ATOM 0 HE2 LYS A 249 -19.224 33.352 8.961 1.00 0.00 H new ATOM 0 HE3 LYS A 249 -17.680 33.670 9.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 249 -18.495 35.601 8.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 249 -17.060 35.050 7.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 249 -18.555 34.742 7.102 1.00 0.00 H new TER 987 LYS A 249 HETATM 988 ZN ZN A 250 -0.748 24.037 4.615 1.00 0.00 ZN HETATM 989 ZN ZN A 251 -0.830 26.940 16.578 1.00 0.00 ZN