USER MOD reduce.3.24.130724 H: found=0, std=0, add=473, rem=0, adj=14 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 178:sc= -0.0184 USER MOD Set 1.2: A 242 CYS SG : rot 101:sc= 1.32 USER MOD Single : A 187 MET CE :methyl 173:sc= 0 (180deg=-0.0549) USER MOD Single : A 189 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 194 ASN : amide:sc= -0.0202 X(o=-0.02,f=-0.22) USER MOD Single : A 197 THR OG1 : rot -40:sc= 0.529 USER MOD Single : A 198 TYR OH : rot -173:sc= 0.0144 USER MOD Single : A 199 CYS SG : rot -162:sc= -1.13 USER MOD Single : A 202 HIS : no HD1:sc= -0.137 X(o=-0.14,f=-0.26) USER MOD Single : A 203 GLN : amide:sc= 0.294 X(o=0.29,f=0) USER MOD Single : A 205 SER OG : rot -8:sc= 0.376 USER MOD Single : A 209 MET CE :methyl 171:sc= 0 (180deg=-0.0427) USER MOD Single : A 218 SER OG : rot -38:sc= 0.175 USER MOD Single : A 223 HIS : no HD1:sc= -0.742 K(o=-0.74,f=-0.23) USER MOD Single : A 230 THR OG1 : rot 180:sc= 0 USER MOD Single : A 231 THR OG1 : rot 180:sc= 0.00546 USER MOD Single : A 232 LYS NZ :NH3+ 176:sc= 0.244 (180deg=0.218) USER MOD Single : A 236 LYS NZ :NH3+ 170:sc=-0.00586 (180deg=-0.106) USER MOD Single : A 243 SER OG : rot 180:sc= 0 USER MOD Single : A 244 GLN : amide:sc= -0.0774 K(o=-0.077,f=-1) USER MOD Single : A 247 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -12.119 16.023 6.867 1.00 0.00 N ATOM 2 CA MET A 187 -10.749 16.540 7.045 1.00 0.00 C ATOM 3 C MET A 187 -9.793 15.794 6.120 1.00 0.00 C ATOM 4 O MET A 187 -9.630 14.584 6.269 1.00 0.00 O ATOM 5 CB MET A 187 -10.286 16.425 8.506 1.00 0.00 C ATOM 6 CG MET A 187 -11.070 17.367 9.428 1.00 0.00 C ATOM 7 SD MET A 187 -10.687 17.208 11.195 1.00 0.00 S ATOM 8 CE MET A 187 -8.970 17.790 11.230 1.00 0.00 C ATOM 0 HA MET A 187 -10.748 17.599 6.786 1.00 0.00 H new ATOM 0 HB2 MET A 187 -10.410 15.397 8.847 1.00 0.00 H new ATOM 0 HB3 MET A 187 -9.223 16.656 8.570 1.00 0.00 H new ATOM 0 HG2 MET A 187 -10.877 18.395 9.121 1.00 0.00 H new ATOM 0 HG3 MET A 187 -12.135 17.187 9.285 1.00 0.00 H new ATOM 0 HE1 MET A 187 -8.634 17.869 12.264 1.00 0.00 H new ATOM 0 HE2 MET A 187 -8.335 17.083 10.695 1.00 0.00 H new ATOM 0 HE3 MET A 187 -8.907 18.768 10.752 1.00 0.00 H new ATOM 20 N ASP A 188 -9.179 16.543 5.191 1.00 0.00 N ATOM 21 CA ASP A 188 -8.206 16.104 4.184 1.00 0.00 C ATOM 22 C ASP A 188 -8.775 15.093 3.174 1.00 0.00 C ATOM 23 O ASP A 188 -9.221 14.005 3.539 1.00 0.00 O ATOM 24 CB ASP A 188 -6.912 15.602 4.849 1.00 0.00 C ATOM 25 CG ASP A 188 -6.312 16.650 5.788 1.00 0.00 C ATOM 26 OD1 ASP A 188 -5.658 17.577 5.261 1.00 0.00 O ATOM 27 OD2 ASP A 188 -6.536 16.523 7.012 1.00 0.00 O ATOM 0 H ASP A 188 -9.364 17.544 5.121 1.00 0.00 H new ATOM 0 HA ASP A 188 -7.959 16.984 3.590 1.00 0.00 H new ATOM 0 HB2 ASP A 188 -7.121 14.690 5.408 1.00 0.00 H new ATOM 0 HB3 ASP A 188 -6.184 15.344 4.080 1.00 0.00 H new ATOM 32 N MET A 189 -8.735 15.459 1.885 1.00 0.00 N ATOM 33 CA MET A 189 -9.250 14.647 0.786 1.00 0.00 C ATOM 34 C MET A 189 -8.446 14.931 -0.500 1.00 0.00 C ATOM 35 O MET A 189 -8.925 15.661 -1.370 1.00 0.00 O ATOM 36 CB MET A 189 -10.763 14.894 0.625 1.00 0.00 C ATOM 37 CG MET A 189 -11.397 13.916 -0.369 1.00 0.00 C ATOM 38 SD MET A 189 -13.185 14.130 -0.571 1.00 0.00 S ATOM 39 CE MET A 189 -13.490 12.852 -1.817 1.00 0.00 C ATOM 0 H MET A 189 -8.335 16.345 1.577 1.00 0.00 H new ATOM 0 HA MET A 189 -9.123 13.587 1.004 1.00 0.00 H new ATOM 0 HB2 MET A 189 -11.252 14.796 1.594 1.00 0.00 H new ATOM 0 HB3 MET A 189 -10.930 15.916 0.286 1.00 0.00 H new ATOM 0 HG2 MET A 189 -10.915 14.036 -1.339 1.00 0.00 H new ATOM 0 HG3 MET A 189 -11.198 12.897 -0.038 1.00 0.00 H new ATOM 0 HE1 MET A 189 -14.550 12.835 -2.069 1.00 0.00 H new ATOM 0 HE2 MET A 189 -12.908 13.070 -2.712 1.00 0.00 H new ATOM 0 HE3 MET A 189 -13.196 11.880 -1.421 1.00 0.00 H new ATOM 49 N PRO A 190 -7.217 14.390 -0.632 1.00 0.00 N ATOM 50 CA PRO A 190 -6.438 14.480 -1.863 1.00 0.00 C ATOM 51 C PRO A 190 -7.053 13.603 -2.964 1.00 0.00 C ATOM 52 O PRO A 190 -7.653 12.562 -2.684 1.00 0.00 O ATOM 53 CB PRO A 190 -5.030 14.012 -1.485 1.00 0.00 C ATOM 54 CG PRO A 190 -5.280 13.024 -0.346 1.00 0.00 C ATOM 55 CD PRO A 190 -6.500 13.607 0.367 1.00 0.00 C ATOM 0 HA PRO A 190 -6.422 15.493 -2.266 1.00 0.00 H new ATOM 0 HB2 PRO A 190 -4.525 13.537 -2.326 1.00 0.00 H new ATOM 0 HB3 PRO A 190 -4.402 14.844 -1.165 1.00 0.00 H new ATOM 0 HG2 PRO A 190 -5.476 12.019 -0.721 1.00 0.00 H new ATOM 0 HG3 PRO A 190 -4.421 12.953 0.321 1.00 0.00 H new ATOM 0 HD2 PRO A 190 -7.132 12.815 0.768 1.00 0.00 H new ATOM 0 HD3 PRO A 190 -6.198 14.231 1.208 1.00 0.00 H new ATOM 63 N VAL A 191 -6.877 14.031 -4.222 1.00 0.00 N ATOM 64 CA VAL A 191 -7.399 13.362 -5.423 1.00 0.00 C ATOM 65 C VAL A 191 -6.355 13.418 -6.564 1.00 0.00 C ATOM 66 O VAL A 191 -6.661 13.088 -7.708 1.00 0.00 O ATOM 67 CB VAL A 191 -8.769 13.966 -5.857 1.00 0.00 C ATOM 68 CG1 VAL A 191 -9.597 12.946 -6.664 1.00 0.00 C ATOM 69 CG2 VAL A 191 -9.671 14.433 -4.695 1.00 0.00 C ATOM 0 H VAL A 191 -6.352 14.878 -4.439 1.00 0.00 H new ATOM 0 HA VAL A 191 -7.579 12.314 -5.186 1.00 0.00 H new ATOM 0 HB VAL A 191 -8.486 14.836 -6.449 1.00 0.00 H new ATOM 0 HG11 VAL A 191 -10.547 13.396 -6.953 1.00 0.00 H new ATOM 0 HG12 VAL A 191 -9.046 12.656 -7.559 1.00 0.00 H new ATOM 0 HG13 VAL A 191 -9.784 12.064 -6.052 1.00 0.00 H new ATOM 0 HG21 VAL A 191 -10.600 14.838 -5.096 1.00 0.00 H new ATOM 0 HG22 VAL A 191 -9.894 13.587 -4.045 1.00 0.00 H new ATOM 0 HG23 VAL A 191 -9.156 15.205 -4.122 1.00 0.00 H new ATOM 79 N ASP A 192 -5.119 13.847 -6.257 1.00 0.00 N ATOM 80 CA ASP A 192 -4.018 14.026 -7.200 1.00 0.00 C ATOM 81 C ASP A 192 -3.699 12.760 -8.023 1.00 0.00 C ATOM 82 O ASP A 192 -3.565 12.899 -9.240 1.00 0.00 O ATOM 83 CB ASP A 192 -2.788 14.573 -6.458 1.00 0.00 C ATOM 84 CG ASP A 192 -3.105 15.863 -5.696 1.00 0.00 C ATOM 85 OD1 ASP A 192 -3.579 15.743 -4.542 1.00 0.00 O ATOM 86 OD2 ASP A 192 -2.883 16.944 -6.281 1.00 0.00 O ATOM 0 H ASP A 192 -4.856 14.087 -5.301 1.00 0.00 H new ATOM 0 HA ASP A 192 -4.334 14.759 -7.943 1.00 0.00 H new ATOM 0 HB2 ASP A 192 -2.421 13.820 -5.760 1.00 0.00 H new ATOM 0 HB3 ASP A 192 -1.987 14.762 -7.173 1.00 0.00 H new ATOM 91 N PRO A 193 -3.631 11.536 -7.444 1.00 0.00 N ATOM 92 CA PRO A 193 -3.564 10.292 -8.207 1.00 0.00 C ATOM 93 C PRO A 193 -4.986 9.897 -8.654 1.00 0.00 C ATOM 94 O PRO A 193 -5.610 9.004 -8.084 1.00 0.00 O ATOM 95 CB PRO A 193 -2.894 9.285 -7.268 1.00 0.00 C ATOM 96 CG PRO A 193 -3.397 9.714 -5.892 1.00 0.00 C ATOM 97 CD PRO A 193 -3.503 11.234 -6.018 1.00 0.00 C ATOM 0 HA PRO A 193 -2.986 10.360 -9.129 1.00 0.00 H new ATOM 0 HB2 PRO A 193 -3.183 8.260 -7.502 1.00 0.00 H new ATOM 0 HB3 PRO A 193 -1.807 9.333 -7.334 1.00 0.00 H new ATOM 0 HG2 PRO A 193 -4.360 9.261 -5.656 1.00 0.00 H new ATOM 0 HG3 PRO A 193 -2.705 9.423 -5.101 1.00 0.00 H new ATOM 0 HD2 PRO A 193 -4.365 11.608 -5.466 1.00 0.00 H new ATOM 0 HD3 PRO A 193 -2.621 11.718 -5.599 1.00 0.00 H new ATOM 105 N ASN A 194 -5.521 10.627 -9.640 1.00 0.00 N ATOM 106 CA ASN A 194 -6.916 10.548 -10.078 1.00 0.00 C ATOM 107 C ASN A 194 -7.305 9.203 -10.729 1.00 0.00 C ATOM 108 O ASN A 194 -8.495 8.918 -10.857 1.00 0.00 O ATOM 109 CB ASN A 194 -7.169 11.726 -11.035 1.00 0.00 C ATOM 110 CG ASN A 194 -8.649 11.919 -11.364 1.00 0.00 C ATOM 111 OD1 ASN A 194 -9.472 12.114 -10.475 1.00 0.00 O ATOM 112 ND2 ASN A 194 -9.000 11.870 -12.650 1.00 0.00 N ATOM 0 H ASN A 194 -4.977 11.309 -10.170 1.00 0.00 H new ATOM 0 HA ASN A 194 -7.552 10.609 -9.195 1.00 0.00 H new ATOM 0 HB2 ASN A 194 -6.779 12.641 -10.588 1.00 0.00 H new ATOM 0 HB3 ASN A 194 -6.615 11.562 -11.959 1.00 0.00 H new ATOM 0 HD21 ASN A 194 -9.976 11.996 -12.917 1.00 0.00 H new ATOM 0 HD22 ASN A 194 -8.292 11.706 -13.366 1.00 0.00 H new ATOM 119 N GLU A 195 -6.325 8.378 -11.134 1.00 0.00 N ATOM 120 CA GLU A 195 -6.549 7.061 -11.727 1.00 0.00 C ATOM 121 C GLU A 195 -7.147 6.094 -10.682 1.00 0.00 C ATOM 122 O GLU A 195 -6.545 5.926 -9.624 1.00 0.00 O ATOM 123 CB GLU A 195 -5.208 6.537 -12.269 1.00 0.00 C ATOM 124 CG GLU A 195 -5.351 5.197 -13.003 1.00 0.00 C ATOM 125 CD GLU A 195 -4.024 4.768 -13.630 1.00 0.00 C ATOM 126 OE1 GLU A 195 -3.233 4.116 -12.913 1.00 0.00 O ATOM 127 OE2 GLU A 195 -3.817 5.104 -14.817 1.00 0.00 O ATOM 0 H GLU A 195 -5.337 8.619 -11.054 1.00 0.00 H new ATOM 0 HA GLU A 195 -7.264 7.135 -12.546 1.00 0.00 H new ATOM 0 HB2 GLU A 195 -4.781 7.275 -12.948 1.00 0.00 H new ATOM 0 HB3 GLU A 195 -4.507 6.421 -11.443 1.00 0.00 H new ATOM 0 HG2 GLU A 195 -5.692 4.432 -12.306 1.00 0.00 H new ATOM 0 HG3 GLU A 195 -6.112 5.283 -13.778 1.00 0.00 H new ATOM 134 N PRO A 196 -8.298 5.439 -10.950 1.00 0.00 N ATOM 135 CA PRO A 196 -8.919 4.493 -10.022 1.00 0.00 C ATOM 136 C PRO A 196 -8.164 3.156 -9.984 1.00 0.00 C ATOM 137 O PRO A 196 -7.557 2.766 -10.981 1.00 0.00 O ATOM 138 CB PRO A 196 -10.349 4.312 -10.540 1.00 0.00 C ATOM 139 CG PRO A 196 -10.204 4.512 -12.048 1.00 0.00 C ATOM 140 CD PRO A 196 -9.108 5.572 -12.153 1.00 0.00 C ATOM 0 HA PRO A 196 -8.900 4.863 -8.997 1.00 0.00 H new ATOM 0 HB2 PRO A 196 -10.741 3.324 -10.301 1.00 0.00 H new ATOM 0 HB3 PRO A 196 -11.031 5.040 -10.101 1.00 0.00 H new ATOM 0 HG2 PRO A 196 -9.921 3.588 -12.552 1.00 0.00 H new ATOM 0 HG3 PRO A 196 -11.136 4.849 -12.501 1.00 0.00 H new ATOM 0 HD2 PRO A 196 -8.504 5.420 -13.048 1.00 0.00 H new ATOM 0 HD3 PRO A 196 -9.538 6.571 -12.224 1.00 0.00 H new ATOM 148 N THR A 197 -8.266 2.451 -8.841 1.00 0.00 N ATOM 149 CA THR A 197 -7.557 1.225 -8.447 1.00 0.00 C ATOM 150 C THR A 197 -6.025 1.379 -8.436 1.00 0.00 C ATOM 151 O THR A 197 -5.468 2.116 -9.251 1.00 0.00 O ATOM 152 CB THR A 197 -8.044 0.001 -9.236 1.00 0.00 C ATOM 153 OG1 THR A 197 -7.449 -0.115 -10.510 1.00 0.00 O ATOM 154 CG2 THR A 197 -9.570 -0.094 -9.372 1.00 0.00 C ATOM 0 H THR A 197 -8.905 2.755 -8.106 1.00 0.00 H new ATOM 0 HA THR A 197 -7.820 1.041 -7.405 1.00 0.00 H new ATOM 0 HB THR A 197 -7.716 -0.838 -8.622 1.00 0.00 H new ATOM 0 HG1 THR A 197 -7.380 0.772 -10.921 1.00 0.00 H new ATOM 0 HG21 THR A 197 -9.830 -0.986 -9.942 1.00 0.00 H new ATOM 0 HG22 THR A 197 -10.021 -0.153 -8.381 1.00 0.00 H new ATOM 0 HG23 THR A 197 -9.945 0.789 -9.889 1.00 0.00 H new ATOM 162 N TYR A 198 -5.325 0.722 -7.487 1.00 0.00 N ATOM 163 CA TYR A 198 -3.903 1.036 -7.277 1.00 0.00 C ATOM 164 C TYR A 198 -3.072 -0.098 -6.660 1.00 0.00 C ATOM 165 O TYR A 198 -2.010 -0.396 -7.206 1.00 0.00 O ATOM 166 CB TYR A 198 -3.723 2.290 -6.403 1.00 0.00 C ATOM 167 CG TYR A 198 -4.722 3.443 -6.483 1.00 0.00 C ATOM 168 CD1 TYR A 198 -6.040 3.303 -5.995 1.00 0.00 C ATOM 169 CD2 TYR A 198 -4.295 4.699 -6.956 1.00 0.00 C ATOM 170 CE1 TYR A 198 -6.928 4.391 -5.994 1.00 0.00 C ATOM 171 CE2 TYR A 198 -5.170 5.797 -6.937 1.00 0.00 C ATOM 172 CZ TYR A 198 -6.492 5.650 -6.462 1.00 0.00 C ATOM 173 OH TYR A 198 -7.342 6.717 -6.452 1.00 0.00 O ATOM 0 H TYR A 198 -5.706 -0.001 -6.877 1.00 0.00 H new ATOM 0 HA TYR A 198 -3.527 1.203 -8.286 1.00 0.00 H new ATOM 0 HB2 TYR A 198 -3.698 1.958 -5.365 1.00 0.00 H new ATOM 0 HB3 TYR A 198 -2.739 2.701 -6.629 1.00 0.00 H new ATOM 0 HD1 TYR A 198 -6.369 2.346 -5.617 1.00 0.00 H new ATOM 0 HD2 TYR A 198 -3.291 4.818 -7.335 1.00 0.00 H new ATOM 0 HE1 TYR A 198 -7.940 4.265 -5.637 1.00 0.00 H new ATOM 0 HE2 TYR A 198 -4.830 6.760 -7.288 1.00 0.00 H new ATOM 0 HH TYR A 198 -6.919 7.477 -6.904 1.00 0.00 H new ATOM 183 N CYS A 199 -3.523 -0.724 -5.553 1.00 0.00 N ATOM 184 CA CYS A 199 -2.970 -1.947 -4.975 1.00 0.00 C ATOM 185 C CYS A 199 -2.594 -3.010 -6.004 1.00 0.00 C ATOM 186 O CYS A 199 -3.010 -3.001 -7.163 1.00 0.00 O ATOM 187 CB CYS A 199 -4.046 -2.603 -4.083 1.00 0.00 C ATOM 188 SG CYS A 199 -5.654 -2.553 -4.818 1.00 0.00 S ATOM 0 H CYS A 199 -4.317 -0.368 -5.021 1.00 0.00 H new ATOM 0 HA CYS A 199 -2.071 -1.639 -4.442 1.00 0.00 H new ATOM 0 HB2 CYS A 199 -3.770 -3.640 -3.889 1.00 0.00 H new ATOM 0 HB3 CYS A 199 -4.074 -2.095 -3.119 1.00 0.00 H new ATOM 0 HG CYS A 199 -6.556 -2.751 -3.903 1.00 0.00 H new ATOM 193 N LEU A 200 -1.908 -4.027 -5.484 1.00 0.00 N ATOM 194 CA LEU A 200 -1.660 -5.265 -6.204 1.00 0.00 C ATOM 195 C LEU A 200 -2.962 -6.067 -6.329 1.00 0.00 C ATOM 196 O LEU A 200 -2.973 -7.081 -7.027 1.00 0.00 O ATOM 197 CB LEU A 200 -0.578 -6.107 -5.498 1.00 0.00 C ATOM 198 CG LEU A 200 0.577 -5.303 -4.871 1.00 0.00 C ATOM 199 CD1 LEU A 200 1.530 -6.250 -4.132 1.00 0.00 C ATOM 200 CD2 LEU A 200 1.369 -4.489 -5.907 1.00 0.00 C ATOM 0 H LEU A 200 -1.508 -4.010 -4.546 1.00 0.00 H new ATOM 0 HA LEU A 200 -1.297 -5.017 -7.201 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -1.054 -6.698 -4.716 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -0.160 -6.810 -6.219 1.00 0.00 H new ATOM 0 HG LEU A 200 0.127 -4.595 -4.175 1.00 0.00 H new ATOM 0 HD11 LEU A 200 2.344 -5.675 -3.691 1.00 0.00 H new ATOM 0 HD12 LEU A 200 0.986 -6.772 -3.345 1.00 0.00 H new ATOM 0 HD13 LEU A 200 1.938 -6.977 -4.834 1.00 0.00 H new ATOM 0 HD21 LEU A 200 2.169 -3.944 -5.407 1.00 0.00 H new ATOM 0 HD22 LEU A 200 1.798 -5.163 -6.649 1.00 0.00 H new ATOM 0 HD23 LEU A 200 0.702 -3.782 -6.401 1.00 0.00 H new ATOM 212 N CYS A 201 -4.051 -5.621 -5.672 1.00 0.00 N ATOM 213 CA CYS A 201 -5.357 -6.211 -5.806 1.00 0.00 C ATOM 214 C CYS A 201 -6.213 -5.471 -6.843 1.00 0.00 C ATOM 215 O CYS A 201 -7.254 -5.991 -7.243 1.00 0.00 O ATOM 216 CB CYS A 201 -6.002 -6.112 -4.435 1.00 0.00 C ATOM 217 SG CYS A 201 -5.198 -7.193 -3.220 1.00 0.00 S ATOM 0 H CYS A 201 -4.026 -4.829 -5.030 1.00 0.00 H new ATOM 0 HA CYS A 201 -5.276 -7.242 -6.151 1.00 0.00 H new ATOM 0 HB2 CYS A 201 -5.956 -5.080 -4.087 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -7.057 -6.376 -4.512 1.00 0.00 H new ATOM 222 N HIS A 202 -5.770 -4.268 -7.249 1.00 0.00 N ATOM 223 CA HIS A 202 -6.459 -3.328 -8.131 1.00 0.00 C ATOM 224 C HIS A 202 -7.936 -3.118 -7.745 1.00 0.00 C ATOM 225 O HIS A 202 -8.830 -3.256 -8.581 1.00 0.00 O ATOM 226 CB HIS A 202 -6.183 -3.648 -9.614 1.00 0.00 C ATOM 227 CG HIS A 202 -6.597 -5.024 -10.076 1.00 0.00 C ATOM 228 ND1 HIS A 202 -7.870 -5.431 -10.402 1.00 0.00 N ATOM 229 CD2 HIS A 202 -5.777 -6.110 -10.235 1.00 0.00 C ATOM 230 CE1 HIS A 202 -7.813 -6.730 -10.738 1.00 0.00 C ATOM 231 NE2 HIS A 202 -6.555 -7.193 -10.656 1.00 0.00 N ATOM 0 H HIS A 202 -4.864 -3.910 -6.947 1.00 0.00 H new ATOM 0 HA HIS A 202 -6.031 -2.337 -7.981 1.00 0.00 H new ATOM 0 HB2 HIS A 202 -6.698 -2.909 -10.228 1.00 0.00 H new ATOM 0 HB3 HIS A 202 -5.116 -3.529 -9.800 1.00 0.00 H new ATOM 0 HD2 HIS A 202 -4.711 -6.127 -10.064 1.00 0.00 H new ATOM 0 HE1 HIS A 202 -8.665 -7.323 -11.035 1.00 0.00 H new ATOM 0 HE2 HIS A 202 -6.233 -8.139 -10.859 1.00 0.00 H new ATOM 239 N GLN A 203 -8.177 -2.775 -6.467 1.00 0.00 N ATOM 240 CA GLN A 203 -9.489 -2.482 -5.891 1.00 0.00 C ATOM 241 C GLN A 203 -9.289 -1.973 -4.461 1.00 0.00 C ATOM 242 O GLN A 203 -8.471 -2.524 -3.734 1.00 0.00 O ATOM 243 CB GLN A 203 -10.398 -3.732 -5.883 1.00 0.00 C ATOM 244 CG GLN A 203 -9.864 -4.912 -5.051 1.00 0.00 C ATOM 245 CD GLN A 203 -10.587 -6.212 -5.391 1.00 0.00 C ATOM 246 OE1 GLN A 203 -11.618 -6.529 -4.805 1.00 0.00 O ATOM 247 NE2 GLN A 203 -10.050 -6.976 -6.341 1.00 0.00 N ATOM 0 H GLN A 203 -7.425 -2.693 -5.783 1.00 0.00 H new ATOM 0 HA GLN A 203 -9.981 -1.725 -6.501 1.00 0.00 H new ATOM 0 HB2 GLN A 203 -11.378 -3.449 -5.499 1.00 0.00 H new ATOM 0 HB3 GLN A 203 -10.542 -4.066 -6.911 1.00 0.00 H new ATOM 0 HG2 GLN A 203 -8.796 -5.031 -5.232 1.00 0.00 H new ATOM 0 HG3 GLN A 203 -9.986 -4.694 -3.990 1.00 0.00 H new ATOM 0 HE21 GLN A 203 -9.192 -6.682 -6.808 1.00 0.00 H new ATOM 0 HE22 GLN A 203 -10.497 -7.855 -6.602 1.00 0.00 H new ATOM 256 N VAL A 204 -10.060 -0.959 -4.058 1.00 0.00 N ATOM 257 CA VAL A 204 -10.089 -0.388 -2.692 1.00 0.00 C ATOM 258 C VAL A 204 -11.465 -0.641 -2.022 1.00 0.00 C ATOM 259 O VAL A 204 -12.278 -1.394 -2.559 1.00 0.00 O ATOM 260 CB VAL A 204 -9.619 1.100 -2.660 1.00 0.00 C ATOM 261 CG1 VAL A 204 -8.872 1.438 -1.342 1.00 0.00 C ATOM 262 CG2 VAL A 204 -8.687 1.459 -3.832 1.00 0.00 C ATOM 0 H VAL A 204 -10.708 -0.490 -4.691 1.00 0.00 H new ATOM 0 HA VAL A 204 -9.354 -0.913 -2.082 1.00 0.00 H new ATOM 0 HB VAL A 204 -10.535 1.686 -2.739 1.00 0.00 H new ATOM 0 HG11 VAL A 204 -8.561 2.482 -1.358 1.00 0.00 H new ATOM 0 HG12 VAL A 204 -9.536 1.270 -0.494 1.00 0.00 H new ATOM 0 HG13 VAL A 204 -7.994 0.799 -1.247 1.00 0.00 H new ATOM 0 HG21 VAL A 204 -8.393 2.506 -3.756 1.00 0.00 H new ATOM 0 HG22 VAL A 204 -7.798 0.829 -3.796 1.00 0.00 H new ATOM 0 HG23 VAL A 204 -9.209 1.296 -4.775 1.00 0.00 H new ATOM 272 N SER A 205 -11.697 -0.060 -0.830 1.00 0.00 N ATOM 273 CA SER A 205 -12.868 -0.233 0.046 1.00 0.00 C ATOM 274 C SER A 205 -13.206 -1.699 0.392 1.00 0.00 C ATOM 275 O SER A 205 -14.257 -2.217 0.015 1.00 0.00 O ATOM 276 CB SER A 205 -14.067 0.610 -0.427 1.00 0.00 C ATOM 277 OG SER A 205 -14.586 0.184 -1.669 1.00 0.00 O ATOM 0 H SER A 205 -11.022 0.589 -0.426 1.00 0.00 H new ATOM 0 HA SER A 205 -12.579 0.174 1.015 1.00 0.00 H new ATOM 0 HB2 SER A 205 -14.855 0.564 0.325 1.00 0.00 H new ATOM 0 HB3 SER A 205 -13.762 1.653 -0.506 1.00 0.00 H new ATOM 0 HG SER A 205 -13.997 -0.499 -2.053 1.00 0.00 H new ATOM 283 N TYR A 206 -12.282 -2.357 1.108 1.00 0.00 N ATOM 284 CA TYR A 206 -12.329 -3.760 1.527 1.00 0.00 C ATOM 285 C TYR A 206 -11.321 -3.948 2.673 1.00 0.00 C ATOM 286 O TYR A 206 -10.110 -3.819 2.480 1.00 0.00 O ATOM 287 CB TYR A 206 -12.056 -4.730 0.347 1.00 0.00 C ATOM 288 CG TYR A 206 -10.659 -4.732 -0.271 1.00 0.00 C ATOM 289 CD1 TYR A 206 -10.034 -3.517 -0.596 1.00 0.00 C ATOM 290 CD2 TYR A 206 -9.967 -5.939 -0.520 1.00 0.00 C ATOM 291 CE1 TYR A 206 -8.732 -3.491 -1.075 1.00 0.00 C ATOM 292 CE2 TYR A 206 -8.667 -5.921 -1.071 1.00 0.00 C ATOM 293 CZ TYR A 206 -8.039 -4.682 -1.337 1.00 0.00 C ATOM 294 OH TYR A 206 -6.789 -4.566 -1.869 1.00 0.00 O ATOM 0 H TYR A 206 -11.432 -1.893 1.428 1.00 0.00 H new ATOM 0 HA TYR A 206 -13.332 -4.004 1.877 1.00 0.00 H new ATOM 0 HB2 TYR A 206 -12.271 -5.742 0.690 1.00 0.00 H new ATOM 0 HB3 TYR A 206 -12.771 -4.503 -0.444 1.00 0.00 H new ATOM 0 HD1 TYR A 206 -10.574 -2.590 -0.471 1.00 0.00 H new ATOM 0 HD2 TYR A 206 -10.437 -6.883 -0.287 1.00 0.00 H new ATOM 0 HE1 TYR A 206 -8.246 -2.542 -1.248 1.00 0.00 H new ATOM 0 HE2 TYR A 206 -8.156 -6.847 -1.288 1.00 0.00 H new ATOM 304 N GLY A 207 -11.830 -4.210 3.884 1.00 0.00 N ATOM 305 CA GLY A 207 -11.060 -4.234 5.109 1.00 0.00 C ATOM 306 C GLY A 207 -10.485 -2.853 5.407 1.00 0.00 C ATOM 307 O GLY A 207 -11.162 -1.828 5.312 1.00 0.00 O ATOM 0 H GLY A 207 -12.818 -4.415 4.030 1.00 0.00 H new ATOM 0 HA2 GLY A 207 -11.692 -4.557 5.936 1.00 0.00 H new ATOM 0 HA3 GLY A 207 -10.252 -4.960 5.023 1.00 0.00 H new ATOM 311 N GLU A 208 -9.204 -2.883 5.750 1.00 0.00 N ATOM 312 CA GLU A 208 -8.356 -1.748 6.096 1.00 0.00 C ATOM 313 C GLU A 208 -7.257 -1.529 5.047 1.00 0.00 C ATOM 314 O GLU A 208 -7.039 -2.361 4.167 1.00 0.00 O ATOM 315 CB GLU A 208 -7.808 -1.930 7.522 1.00 0.00 C ATOM 316 CG GLU A 208 -6.758 -3.036 7.699 1.00 0.00 C ATOM 317 CD GLU A 208 -7.328 -4.450 7.564 1.00 0.00 C ATOM 318 OE1 GLU A 208 -7.894 -4.937 8.567 1.00 0.00 O ATOM 319 OE2 GLU A 208 -7.199 -5.021 6.458 1.00 0.00 O ATOM 0 H GLU A 208 -8.693 -3.764 5.797 1.00 0.00 H new ATOM 0 HA GLU A 208 -8.951 -0.835 6.088 1.00 0.00 H new ATOM 0 HB2 GLU A 208 -7.371 -0.985 7.846 1.00 0.00 H new ATOM 0 HB3 GLU A 208 -8.645 -2.140 8.188 1.00 0.00 H new ATOM 0 HG2 GLU A 208 -5.970 -2.899 6.959 1.00 0.00 H new ATOM 0 HG3 GLU A 208 -6.295 -2.932 8.680 1.00 0.00 H new ATOM 326 N MET A 209 -6.569 -0.384 5.147 1.00 0.00 N ATOM 327 CA MET A 209 -5.662 0.124 4.118 1.00 0.00 C ATOM 328 C MET A 209 -4.383 0.711 4.714 1.00 0.00 C ATOM 329 O MET A 209 -4.356 1.112 5.878 1.00 0.00 O ATOM 330 CB MET A 209 -6.401 1.208 3.304 1.00 0.00 C ATOM 331 CG MET A 209 -7.617 0.698 2.508 1.00 0.00 C ATOM 332 SD MET A 209 -9.224 0.715 3.351 1.00 0.00 S ATOM 333 CE MET A 209 -9.553 2.497 3.389 1.00 0.00 C ATOM 0 H MET A 209 -6.631 0.225 5.963 1.00 0.00 H new ATOM 0 HA MET A 209 -5.367 -0.709 3.480 1.00 0.00 H new ATOM 0 HB2 MET A 209 -6.733 1.992 3.985 1.00 0.00 H new ATOM 0 HB3 MET A 209 -5.696 1.666 2.610 1.00 0.00 H new ATOM 0 HG2 MET A 209 -7.704 1.298 1.602 1.00 0.00 H new ATOM 0 HG3 MET A 209 -7.411 -0.325 2.194 1.00 0.00 H new ATOM 0 HE1 MET A 209 -10.573 2.671 3.730 1.00 0.00 H new ATOM 0 HE2 MET A 209 -8.855 2.981 4.071 1.00 0.00 H new ATOM 0 HE3 MET A 209 -9.429 2.911 2.388 1.00 0.00 H new ATOM 343 N ILE A 210 -3.337 0.803 3.877 1.00 0.00 N ATOM 344 CA ILE A 210 -2.110 1.523 4.165 1.00 0.00 C ATOM 345 C ILE A 210 -1.788 2.364 2.923 1.00 0.00 C ATOM 346 O ILE A 210 -2.679 2.987 2.343 1.00 0.00 O ATOM 347 CB ILE A 210 -1.011 0.558 4.708 1.00 0.00 C ATOM 348 CG1 ILE A 210 0.235 1.227 5.340 1.00 0.00 C ATOM 349 CG2 ILE A 210 -0.546 -0.567 3.766 1.00 0.00 C ATOM 350 CD1 ILE A 210 -0.079 2.290 6.397 1.00 0.00 C ATOM 0 H ILE A 210 -3.333 0.362 2.957 1.00 0.00 H new ATOM 0 HA ILE A 210 -2.196 2.231 4.990 1.00 0.00 H new ATOM 0 HB ILE A 210 -1.592 0.096 5.506 1.00 0.00 H new ATOM 0 HG12 ILE A 210 0.855 0.454 5.794 1.00 0.00 H new ATOM 0 HG13 ILE A 210 0.826 1.685 4.547 1.00 0.00 H new ATOM 0 HG21 ILE A 210 0.218 -1.165 4.263 1.00 0.00 H new ATOM 0 HG22 ILE A 210 -1.395 -1.202 3.511 1.00 0.00 H new ATOM 0 HG23 ILE A 210 -0.132 -0.132 2.856 1.00 0.00 H new ATOM 0 HD11 ILE A 210 0.852 2.704 6.784 1.00 0.00 H new ATOM 0 HD12 ILE A 210 -0.671 3.087 5.947 1.00 0.00 H new ATOM 0 HD13 ILE A 210 -0.642 1.837 7.213 1.00 0.00 H new ATOM 362 N GLY A 211 -0.517 2.417 2.550 1.00 0.00 N ATOM 363 CA GLY A 211 0.028 3.300 1.547 1.00 0.00 C ATOM 364 C GLY A 211 1.460 3.698 1.841 1.00 0.00 C ATOM 365 O GLY A 211 1.788 4.105 2.955 1.00 0.00 O ATOM 0 H GLY A 211 0.192 1.812 2.964 1.00 0.00 H new ATOM 0 HA2 GLY A 211 -0.017 2.811 0.574 1.00 0.00 H new ATOM 0 HA3 GLY A 211 -0.589 4.196 1.483 1.00 0.00 H new ATOM 369 N CYS A 212 2.296 3.564 0.804 1.00 0.00 N ATOM 370 CA CYS A 212 3.705 3.928 0.845 1.00 0.00 C ATOM 371 C CYS A 212 3.808 5.436 1.068 1.00 0.00 C ATOM 372 O CYS A 212 3.298 6.218 0.266 1.00 0.00 O ATOM 373 CB CYS A 212 4.455 3.487 -0.424 1.00 0.00 C ATOM 374 SG CYS A 212 6.193 4.017 -0.289 1.00 0.00 S ATOM 0 H CYS A 212 2.001 3.193 -0.099 1.00 0.00 H new ATOM 0 HA CYS A 212 4.187 3.403 1.670 1.00 0.00 H new ATOM 0 HB2 CYS A 212 4.398 2.405 -0.540 1.00 0.00 H new ATOM 0 HB3 CYS A 212 3.993 3.927 -1.308 1.00 0.00 H new ATOM 0 HG CYS A 212 6.851 3.619 -1.337 1.00 0.00 H new ATOM 379 N ASP A 213 4.484 5.815 2.160 1.00 0.00 N ATOM 380 CA ASP A 213 4.697 7.194 2.587 1.00 0.00 C ATOM 381 C ASP A 213 5.606 8.004 1.638 1.00 0.00 C ATOM 382 O ASP A 213 5.890 9.168 1.924 1.00 0.00 O ATOM 383 CB ASP A 213 5.240 7.178 4.021 1.00 0.00 C ATOM 384 CG ASP A 213 4.191 6.722 5.041 1.00 0.00 C ATOM 385 OD1 ASP A 213 3.938 5.499 5.109 1.00 0.00 O ATOM 386 OD2 ASP A 213 3.686 7.603 5.769 1.00 0.00 O ATOM 0 H ASP A 213 4.913 5.139 2.792 1.00 0.00 H new ATOM 0 HA ASP A 213 3.739 7.712 2.554 1.00 0.00 H new ATOM 0 HB2 ASP A 213 6.104 6.515 4.072 1.00 0.00 H new ATOM 0 HB3 ASP A 213 5.589 8.176 4.285 1.00 0.00 H new ATOM 391 N ASP A 214 6.070 7.414 0.523 1.00 0.00 N ATOM 392 CA ASP A 214 6.720 8.121 -0.572 1.00 0.00 C ATOM 393 C ASP A 214 5.651 8.953 -1.308 1.00 0.00 C ATOM 394 O ASP A 214 4.722 8.363 -1.862 1.00 0.00 O ATOM 395 CB ASP A 214 7.351 7.079 -1.512 1.00 0.00 C ATOM 396 CG ASP A 214 8.011 7.663 -2.762 1.00 0.00 C ATOM 397 OD1 ASP A 214 8.425 8.841 -2.714 1.00 0.00 O ATOM 398 OD2 ASP A 214 8.091 6.903 -3.751 1.00 0.00 O ATOM 0 H ASP A 214 5.997 6.409 0.363 1.00 0.00 H new ATOM 0 HA ASP A 214 7.502 8.789 -0.211 1.00 0.00 H new ATOM 0 HB2 ASP A 214 8.097 6.512 -0.955 1.00 0.00 H new ATOM 0 HB3 ASP A 214 6.579 6.374 -1.821 1.00 0.00 H new ATOM 403 N PRO A 215 5.757 10.299 -1.350 1.00 0.00 N ATOM 404 CA PRO A 215 4.803 11.156 -2.055 1.00 0.00 C ATOM 405 C PRO A 215 4.991 11.147 -3.583 1.00 0.00 C ATOM 406 O PRO A 215 4.286 11.870 -4.285 1.00 0.00 O ATOM 407 CB PRO A 215 5.024 12.551 -1.462 1.00 0.00 C ATOM 408 CG PRO A 215 6.522 12.554 -1.170 1.00 0.00 C ATOM 409 CD PRO A 215 6.784 11.117 -0.718 1.00 0.00 C ATOM 0 HA PRO A 215 3.782 10.801 -1.917 1.00 0.00 H new ATOM 0 HB2 PRO A 215 4.746 13.338 -2.163 1.00 0.00 H new ATOM 0 HB3 PRO A 215 4.434 12.706 -0.558 1.00 0.00 H new ATOM 0 HG2 PRO A 215 7.105 12.812 -2.054 1.00 0.00 H new ATOM 0 HG3 PRO A 215 6.781 13.275 -0.395 1.00 0.00 H new ATOM 0 HD2 PRO A 215 7.780 10.790 -1.016 1.00 0.00 H new ATOM 0 HD3 PRO A 215 6.734 11.035 0.368 1.00 0.00 H new ATOM 417 N ASP A 216 5.910 10.311 -4.086 1.00 0.00 N ATOM 418 CA ASP A 216 6.156 10.069 -5.503 1.00 0.00 C ATOM 419 C ASP A 216 5.841 8.605 -5.863 1.00 0.00 C ATOM 420 O ASP A 216 6.066 8.192 -7.001 1.00 0.00 O ATOM 421 CB ASP A 216 7.604 10.479 -5.830 1.00 0.00 C ATOM 422 CG ASP A 216 7.881 10.561 -7.334 1.00 0.00 C ATOM 423 OD1 ASP A 216 7.200 11.374 -7.998 1.00 0.00 O ATOM 424 OD2 ASP A 216 8.784 9.827 -7.794 1.00 0.00 O ATOM 0 H ASP A 216 6.526 9.764 -3.485 1.00 0.00 H new ATOM 0 HA ASP A 216 5.492 10.676 -6.118 1.00 0.00 H new ATOM 0 HB2 ASP A 216 7.812 11.447 -5.375 1.00 0.00 H new ATOM 0 HB3 ASP A 216 8.289 9.761 -5.379 1.00 0.00 H new ATOM 429 N CYS A 217 5.282 7.821 -4.918 1.00 0.00 N ATOM 430 CA CYS A 217 4.773 6.485 -5.192 1.00 0.00 C ATOM 431 C CYS A 217 3.674 6.553 -6.263 1.00 0.00 C ATOM 432 O CYS A 217 2.716 7.318 -6.146 1.00 0.00 O ATOM 433 CB CYS A 217 4.230 5.892 -3.894 1.00 0.00 C ATOM 434 SG CYS A 217 3.652 4.194 -4.138 1.00 0.00 S ATOM 0 H CYS A 217 5.176 8.108 -3.945 1.00 0.00 H new ATOM 0 HA CYS A 217 5.573 5.849 -5.570 1.00 0.00 H new ATOM 0 HB2 CYS A 217 5.008 5.907 -3.131 1.00 0.00 H new ATOM 0 HB3 CYS A 217 3.410 6.508 -3.525 1.00 0.00 H new ATOM 440 N SER A 218 3.827 5.712 -7.291 1.00 0.00 N ATOM 441 CA SER A 218 2.959 5.627 -8.469 1.00 0.00 C ATOM 442 C SER A 218 1.590 4.974 -8.178 1.00 0.00 C ATOM 443 O SER A 218 0.757 4.860 -9.076 1.00 0.00 O ATOM 444 CB SER A 218 3.731 4.858 -9.552 1.00 0.00 C ATOM 445 OG SER A 218 3.105 4.939 -10.815 1.00 0.00 O ATOM 0 H SER A 218 4.595 5.041 -7.326 1.00 0.00 H new ATOM 0 HA SER A 218 2.716 6.636 -8.804 1.00 0.00 H new ATOM 0 HB2 SER A 218 4.744 5.255 -9.625 1.00 0.00 H new ATOM 0 HB3 SER A 218 3.819 3.812 -9.259 1.00 0.00 H new ATOM 0 HG SER A 218 2.133 4.892 -10.702 1.00 0.00 H new ATOM 451 N ILE A 219 1.361 4.542 -6.930 1.00 0.00 N ATOM 452 CA ILE A 219 0.224 3.729 -6.497 1.00 0.00 C ATOM 453 C ILE A 219 -0.401 4.316 -5.217 1.00 0.00 C ATOM 454 O ILE A 219 -1.620 4.275 -5.065 1.00 0.00 O ATOM 455 CB ILE A 219 0.721 2.266 -6.345 1.00 0.00 C ATOM 456 CG1 ILE A 219 0.780 1.579 -7.729 1.00 0.00 C ATOM 457 CG2 ILE A 219 -0.128 1.467 -5.348 1.00 0.00 C ATOM 458 CD1 ILE A 219 1.449 0.197 -7.726 1.00 0.00 C ATOM 0 H ILE A 219 1.995 4.762 -6.162 1.00 0.00 H new ATOM 0 HA ILE A 219 -0.580 3.736 -7.233 1.00 0.00 H new ATOM 0 HB ILE A 219 1.729 2.294 -5.931 1.00 0.00 H new ATOM 0 HG12 ILE A 219 -0.235 1.476 -8.113 1.00 0.00 H new ATOM 0 HG13 ILE A 219 1.318 2.228 -8.420 1.00 0.00 H new ATOM 0 HG21 ILE A 219 0.257 0.450 -5.275 1.00 0.00 H new ATOM 0 HG22 ILE A 219 -0.083 1.943 -4.369 1.00 0.00 H new ATOM 0 HG23 ILE A 219 -1.162 1.439 -5.691 1.00 0.00 H new ATOM 0 HD11 ILE A 219 1.447 -0.211 -8.737 1.00 0.00 H new ATOM 0 HD12 ILE A 219 2.477 0.291 -7.375 1.00 0.00 H new ATOM 0 HD13 ILE A 219 0.899 -0.472 -7.064 1.00 0.00 H new ATOM 470 N GLU A 220 0.423 4.907 -4.339 1.00 0.00 N ATOM 471 CA GLU A 220 0.052 5.684 -3.148 1.00 0.00 C ATOM 472 C GLU A 220 -0.496 4.852 -1.973 1.00 0.00 C ATOM 473 O GLU A 220 -0.135 5.138 -0.836 1.00 0.00 O ATOM 474 CB GLU A 220 -0.833 6.896 -3.547 1.00 0.00 C ATOM 475 CG GLU A 220 -2.263 6.957 -2.977 1.00 0.00 C ATOM 476 CD GLU A 220 -2.323 7.385 -1.505 1.00 0.00 C ATOM 477 OE1 GLU A 220 -1.758 8.457 -1.194 1.00 0.00 O ATOM 478 OE2 GLU A 220 -2.950 6.647 -0.714 1.00 0.00 O ATOM 0 H GLU A 220 1.435 4.851 -4.450 1.00 0.00 H new ATOM 0 HA GLU A 220 0.977 6.080 -2.729 1.00 0.00 H new ATOM 0 HB2 GLU A 220 -0.313 7.805 -3.245 1.00 0.00 H new ATOM 0 HB3 GLU A 220 -0.904 6.916 -4.634 1.00 0.00 H new ATOM 0 HG2 GLU A 220 -2.853 7.654 -3.573 1.00 0.00 H new ATOM 0 HG3 GLU A 220 -2.728 5.976 -3.080 1.00 0.00 H new ATOM 485 N TRP A 221 -1.307 3.818 -2.239 1.00 0.00 N ATOM 486 CA TRP A 221 -2.030 3.004 -1.260 1.00 0.00 C ATOM 487 C TRP A 221 -1.824 1.524 -1.592 1.00 0.00 C ATOM 488 O TRP A 221 -1.714 1.130 -2.753 1.00 0.00 O ATOM 489 CB TRP A 221 -3.509 3.403 -1.214 1.00 0.00 C ATOM 490 CG TRP A 221 -4.426 2.414 -1.803 1.00 0.00 C ATOM 491 CD1 TRP A 221 -4.840 2.394 -3.077 1.00 0.00 C ATOM 492 CD2 TRP A 221 -4.931 1.214 -1.175 1.00 0.00 C ATOM 493 NE1 TRP A 221 -5.506 1.208 -3.309 1.00 0.00 N ATOM 494 CE2 TRP A 221 -5.585 0.436 -2.167 1.00 0.00 C ATOM 495 CE3 TRP A 221 -4.834 0.691 0.127 1.00 0.00 C ATOM 496 CZ2 TRP A 221 -6.133 -0.821 -1.869 1.00 0.00 C ATOM 497 CZ3 TRP A 221 -5.404 -0.553 0.429 1.00 0.00 C ATOM 498 CH2 TRP A 221 -6.031 -1.317 -0.560 1.00 0.00 C ATOM 0 H TRP A 221 -1.484 3.513 -3.196 1.00 0.00 H new ATOM 0 HA TRP A 221 -1.636 3.180 -0.259 1.00 0.00 H new ATOM 0 HB2 TRP A 221 -3.795 3.572 -0.176 1.00 0.00 H new ATOM 0 HB3 TRP A 221 -3.633 4.351 -1.737 1.00 0.00 H new ATOM 0 HD1 TRP A 221 -4.679 3.177 -3.803 1.00 0.00 H new ATOM 0 HE1 TRP A 221 -5.892 0.935 -4.213 1.00 0.00 H new ATOM 0 HE3 TRP A 221 -4.319 1.249 0.895 1.00 0.00 H new ATOM 0 HZ2 TRP A 221 -6.627 -1.399 -2.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 221 -5.358 -0.927 1.441 1.00 0.00 H new ATOM 0 HH2 TRP A 221 -6.436 -2.288 -0.317 1.00 0.00 H new ATOM 509 N PHE A 222 -1.816 0.699 -0.546 1.00 0.00 N ATOM 510 CA PHE A 222 -1.602 -0.740 -0.636 1.00 0.00 C ATOM 511 C PHE A 222 -2.382 -1.395 0.482 1.00 0.00 C ATOM 512 O PHE A 222 -2.579 -0.817 1.547 1.00 0.00 O ATOM 513 CB PHE A 222 -0.119 -1.096 -0.457 1.00 0.00 C ATOM 514 CG PHE A 222 0.792 -0.579 -1.546 1.00 0.00 C ATOM 515 CD1 PHE A 222 1.232 0.755 -1.497 1.00 0.00 C ATOM 516 CD2 PHE A 222 1.169 -1.407 -2.620 1.00 0.00 C ATOM 517 CE1 PHE A 222 2.007 1.282 -2.534 1.00 0.00 C ATOM 518 CE2 PHE A 222 1.976 -0.890 -3.645 1.00 0.00 C ATOM 519 CZ PHE A 222 2.386 0.454 -3.603 1.00 0.00 C ATOM 0 H PHE A 222 -1.962 1.023 0.410 1.00 0.00 H new ATOM 0 HA PHE A 222 -1.926 -1.085 -1.618 1.00 0.00 H new ATOM 0 HB2 PHE A 222 0.222 -0.702 0.500 1.00 0.00 H new ATOM 0 HB3 PHE A 222 -0.024 -2.181 -0.407 1.00 0.00 H new ATOM 0 HD1 PHE A 222 0.970 1.376 -0.653 1.00 0.00 H new ATOM 0 HD2 PHE A 222 0.839 -2.435 -2.655 1.00 0.00 H new ATOM 0 HE1 PHE A 222 2.312 2.318 -2.513 1.00 0.00 H new ATOM 0 HE2 PHE A 222 2.282 -1.523 -4.465 1.00 0.00 H new ATOM 0 HZ PHE A 222 2.997 0.853 -4.399 1.00 0.00 H new ATOM 529 N HIS A 223 -2.821 -2.622 0.228 1.00 0.00 N ATOM 530 CA HIS A 223 -3.573 -3.397 1.193 1.00 0.00 C ATOM 531 C HIS A 223 -2.669 -3.923 2.313 1.00 0.00 C ATOM 532 O HIS A 223 -1.488 -4.201 2.111 1.00 0.00 O ATOM 533 CB HIS A 223 -4.243 -4.516 0.398 1.00 0.00 C ATOM 534 CG HIS A 223 -5.389 -5.239 1.034 1.00 0.00 C ATOM 535 ND1 HIS A 223 -5.746 -6.540 0.691 1.00 0.00 N ATOM 536 CD2 HIS A 223 -6.305 -4.724 1.904 1.00 0.00 C ATOM 537 CE1 HIS A 223 -6.845 -6.800 1.421 1.00 0.00 C ATOM 538 NE2 HIS A 223 -7.207 -5.728 2.148 1.00 0.00 N ATOM 0 H HIS A 223 -2.662 -3.104 -0.657 1.00 0.00 H new ATOM 0 HA HIS A 223 -4.323 -2.792 1.703 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -4.595 -4.093 -0.543 1.00 0.00 H new ATOM 0 HB3 HIS A 223 -3.479 -5.253 0.150 1.00 0.00 H new ATOM 0 HD2 HIS A 223 -6.317 -3.726 2.317 1.00 0.00 H new ATOM 0 HE1 HIS A 223 -7.368 -7.745 1.423 1.00 0.00 H new ATOM 0 HE2 HIS A 223 -8.012 -5.671 2.772 1.00 0.00 H new ATOM 546 N PHE A 224 -3.273 -4.098 3.492 1.00 0.00 N ATOM 547 CA PHE A 224 -2.718 -4.821 4.640 1.00 0.00 C ATOM 548 C PHE A 224 -2.386 -6.295 4.329 1.00 0.00 C ATOM 549 O PHE A 224 -1.798 -6.960 5.178 1.00 0.00 O ATOM 550 CB PHE A 224 -3.715 -4.748 5.813 1.00 0.00 C ATOM 551 CG PHE A 224 -3.428 -3.721 6.895 1.00 0.00 C ATOM 552 CD1 PHE A 224 -3.080 -2.393 6.574 1.00 0.00 C ATOM 553 CD2 PHE A 224 -3.617 -4.079 8.247 1.00 0.00 C ATOM 554 CE1 PHE A 224 -2.923 -1.439 7.596 1.00 0.00 C ATOM 555 CE2 PHE A 224 -3.484 -3.118 9.261 1.00 0.00 C ATOM 556 CZ PHE A 224 -3.130 -1.798 8.937 1.00 0.00 C ATOM 0 H PHE A 224 -4.203 -3.723 3.681 1.00 0.00 H new ATOM 0 HA PHE A 224 -1.776 -4.339 4.900 1.00 0.00 H new ATOM 0 HB2 PHE A 224 -4.705 -4.543 5.405 1.00 0.00 H new ATOM 0 HB3 PHE A 224 -3.760 -5.731 6.282 1.00 0.00 H new ATOM 0 HD1 PHE A 224 -2.934 -2.108 5.543 1.00 0.00 H new ATOM 0 HD2 PHE A 224 -3.865 -5.098 8.503 1.00 0.00 H new ATOM 0 HE1 PHE A 224 -2.642 -0.426 7.348 1.00 0.00 H new ATOM 0 HE2 PHE A 224 -3.654 -3.394 10.291 1.00 0.00 H new ATOM 0 HZ PHE A 224 -3.017 -1.061 9.718 1.00 0.00 H new ATOM 566 N ALA A 225 -2.718 -6.794 3.127 1.00 0.00 N ATOM 567 CA ALA A 225 -2.325 -8.098 2.622 1.00 0.00 C ATOM 568 C ALA A 225 -1.564 -8.010 1.287 1.00 0.00 C ATOM 569 O ALA A 225 -1.073 -9.034 0.815 1.00 0.00 O ATOM 570 CB ALA A 225 -3.554 -9.009 2.535 1.00 0.00 C ATOM 0 H ALA A 225 -3.290 -6.272 2.463 1.00 0.00 H new ATOM 0 HA ALA A 225 -1.619 -8.538 3.326 1.00 0.00 H new ATOM 0 HB1 ALA A 225 -3.256 -9.987 2.156 1.00 0.00 H new ATOM 0 HB2 ALA A 225 -3.994 -9.123 3.526 1.00 0.00 H new ATOM 0 HB3 ALA A 225 -4.288 -8.567 1.861 1.00 0.00 H new ATOM 576 N CYS A 226 -1.407 -6.807 0.702 1.00 0.00 N ATOM 577 CA CYS A 226 -0.492 -6.565 -0.414 1.00 0.00 C ATOM 578 C CYS A 226 0.981 -6.578 0.042 1.00 0.00 C ATOM 579 O CYS A 226 1.876 -6.542 -0.801 1.00 0.00 O ATOM 580 CB CYS A 226 -0.837 -5.245 -1.087 1.00 0.00 C ATOM 581 SG CYS A 226 -2.210 -5.433 -2.257 1.00 0.00 S ATOM 0 H CYS A 226 -1.918 -5.975 0.997 1.00 0.00 H new ATOM 0 HA CYS A 226 -0.612 -7.375 -1.133 1.00 0.00 H new ATOM 0 HB2 CYS A 226 -1.102 -4.508 -0.329 1.00 0.00 H new ATOM 0 HB3 CYS A 226 0.039 -4.863 -1.611 1.00 0.00 H new ATOM 587 N VAL A 227 1.226 -6.657 1.360 1.00 0.00 N ATOM 588 CA VAL A 227 2.541 -6.838 1.979 1.00 0.00 C ATOM 589 C VAL A 227 2.515 -7.927 3.074 1.00 0.00 C ATOM 590 O VAL A 227 3.557 -8.284 3.619 1.00 0.00 O ATOM 591 CB VAL A 227 3.045 -5.470 2.486 1.00 0.00 C ATOM 592 CG1 VAL A 227 2.219 -4.992 3.689 1.00 0.00 C ATOM 593 CG2 VAL A 227 4.546 -5.481 2.823 1.00 0.00 C ATOM 0 H VAL A 227 0.477 -6.593 2.050 1.00 0.00 H new ATOM 0 HA VAL A 227 3.250 -7.206 1.238 1.00 0.00 H new ATOM 0 HB VAL A 227 2.910 -4.763 1.667 1.00 0.00 H new ATOM 0 HG11 VAL A 227 2.594 -4.026 4.027 1.00 0.00 H new ATOM 0 HG12 VAL A 227 1.174 -4.893 3.396 1.00 0.00 H new ATOM 0 HG13 VAL A 227 2.302 -5.717 4.499 1.00 0.00 H new ATOM 0 HG21 VAL A 227 4.847 -4.494 3.175 1.00 0.00 H new ATOM 0 HG22 VAL A 227 4.739 -6.218 3.602 1.00 0.00 H new ATOM 0 HG23 VAL A 227 5.117 -5.738 1.931 1.00 0.00 H new ATOM 603 N GLY A 228 1.326 -8.458 3.388 1.00 0.00 N ATOM 604 CA GLY A 228 1.099 -9.406 4.477 1.00 0.00 C ATOM 605 C GLY A 228 1.281 -8.774 5.863 1.00 0.00 C ATOM 606 O GLY A 228 1.801 -9.434 6.761 1.00 0.00 O ATOM 0 H GLY A 228 0.474 -8.231 2.875 1.00 0.00 H new ATOM 0 HA2 GLY A 228 0.090 -9.810 4.397 1.00 0.00 H new ATOM 0 HA3 GLY A 228 1.787 -10.245 4.372 1.00 0.00 H new ATOM 610 N LEU A 229 0.910 -7.492 6.017 1.00 0.00 N ATOM 611 CA LEU A 229 1.122 -6.712 7.238 1.00 0.00 C ATOM 612 C LEU A 229 0.296 -7.253 8.408 1.00 0.00 C ATOM 613 O LEU A 229 0.851 -7.480 9.482 1.00 0.00 O ATOM 614 CB LEU A 229 0.775 -5.224 6.995 1.00 0.00 C ATOM 615 CG LEU A 229 1.986 -4.275 7.107 1.00 0.00 C ATOM 616 CD1 LEU A 229 1.542 -2.861 6.702 1.00 0.00 C ATOM 617 CD2 LEU A 229 2.620 -4.235 8.507 1.00 0.00 C ATOM 0 H LEU A 229 0.446 -6.963 5.279 1.00 0.00 H new ATOM 0 HA LEU A 229 2.176 -6.800 7.501 1.00 0.00 H new ATOM 0 HB2 LEU A 229 0.335 -5.121 6.003 1.00 0.00 H new ATOM 0 HB3 LEU A 229 0.016 -4.916 7.714 1.00 0.00 H new ATOM 0 HG LEU A 229 2.756 -4.660 6.439 1.00 0.00 H new ATOM 0 HD11 LEU A 229 2.389 -2.179 6.776 1.00 0.00 H new ATOM 0 HD12 LEU A 229 1.176 -2.875 5.675 1.00 0.00 H new ATOM 0 HD13 LEU A 229 0.746 -2.525 7.367 1.00 0.00 H new ATOM 0 HD21 LEU A 229 3.464 -3.546 8.504 1.00 0.00 H new ATOM 0 HD22 LEU A 229 1.879 -3.899 9.232 1.00 0.00 H new ATOM 0 HD23 LEU A 229 2.966 -5.232 8.778 1.00 0.00 H new ATOM 629 N THR A 230 -1.015 -7.456 8.187 1.00 0.00 N ATOM 630 CA THR A 230 -2.019 -7.912 9.162 1.00 0.00 C ATOM 631 C THR A 230 -2.224 -6.962 10.370 1.00 0.00 C ATOM 632 O THR A 230 -3.180 -7.136 11.123 1.00 0.00 O ATOM 633 CB THR A 230 -1.730 -9.381 9.559 1.00 0.00 C ATOM 634 OG1 THR A 230 -1.525 -10.165 8.397 1.00 0.00 O ATOM 635 CG2 THR A 230 -2.856 -10.056 10.352 1.00 0.00 C ATOM 0 H THR A 230 -1.426 -7.296 7.267 1.00 0.00 H new ATOM 0 HA THR A 230 -2.991 -7.878 8.670 1.00 0.00 H new ATOM 0 HB THR A 230 -0.847 -9.330 10.196 1.00 0.00 H new ATOM 0 HG1 THR A 230 -1.341 -11.092 8.656 1.00 0.00 H new ATOM 0 HG21 THR A 230 -2.571 -11.081 10.588 1.00 0.00 H new ATOM 0 HG22 THR A 230 -3.031 -9.506 11.276 1.00 0.00 H new ATOM 0 HG23 THR A 230 -3.768 -10.062 9.755 1.00 0.00 H new ATOM 643 N THR A 231 -1.381 -5.931 10.537 1.00 0.00 N ATOM 644 CA THR A 231 -1.449 -4.933 11.605 1.00 0.00 C ATOM 645 C THR A 231 -0.887 -3.591 11.119 1.00 0.00 C ATOM 646 O THR A 231 -0.415 -3.463 9.989 1.00 0.00 O ATOM 647 CB THR A 231 -0.723 -5.453 12.866 1.00 0.00 C ATOM 648 OG1 THR A 231 -0.988 -4.638 13.989 1.00 0.00 O ATOM 649 CG2 THR A 231 0.797 -5.598 12.704 1.00 0.00 C ATOM 0 H THR A 231 -0.601 -5.767 9.901 1.00 0.00 H new ATOM 0 HA THR A 231 -2.491 -4.763 11.877 1.00 0.00 H new ATOM 0 HB THR A 231 -1.129 -6.453 13.021 1.00 0.00 H new ATOM 0 HG1 THR A 231 -0.516 -4.994 14.770 1.00 0.00 H new ATOM 0 HG21 THR A 231 1.228 -5.968 13.634 1.00 0.00 H new ATOM 0 HG22 THR A 231 1.012 -6.301 11.899 1.00 0.00 H new ATOM 0 HG23 THR A 231 1.231 -4.628 12.463 1.00 0.00 H new ATOM 657 N LYS A 232 -0.960 -2.583 11.992 1.00 0.00 N ATOM 658 CA LYS A 232 -0.460 -1.236 11.737 1.00 0.00 C ATOM 659 C LYS A 232 1.082 -1.242 11.750 1.00 0.00 C ATOM 660 O LYS A 232 1.666 -1.725 12.723 1.00 0.00 O ATOM 661 CB LYS A 232 -1.011 -0.277 12.804 1.00 0.00 C ATOM 662 CG LYS A 232 -0.793 1.192 12.402 1.00 0.00 C ATOM 663 CD LYS A 232 -1.130 2.179 13.529 1.00 0.00 C ATOM 664 CE LYS A 232 -0.162 2.097 14.718 1.00 0.00 C ATOM 665 NZ LYS A 232 1.211 2.497 14.349 1.00 0.00 N ATOM 0 H LYS A 232 -1.379 -2.687 12.916 1.00 0.00 H new ATOM 0 HA LYS A 232 -0.794 -0.897 10.756 1.00 0.00 H new ATOM 0 HB2 LYS A 232 -2.075 -0.463 12.948 1.00 0.00 H new ATOM 0 HB3 LYS A 232 -0.522 -0.472 13.758 1.00 0.00 H new ATOM 0 HG2 LYS A 232 0.246 1.331 12.104 1.00 0.00 H new ATOM 0 HG3 LYS A 232 -1.408 1.420 11.531 1.00 0.00 H new ATOM 0 HD2 LYS A 232 -1.119 3.193 13.130 1.00 0.00 H new ATOM 0 HD3 LYS A 232 -2.144 1.986 13.881 1.00 0.00 H new ATOM 0 HE2 LYS A 232 -0.522 2.739 15.522 1.00 0.00 H new ATOM 0 HE3 LYS A 232 -0.150 1.078 15.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 1.814 2.491 15.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 1.591 1.828 13.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 1.196 3.454 13.941 1.00 0.00 H new ATOM 679 N PRO A 233 1.759 -0.688 10.724 1.00 0.00 N ATOM 680 CA PRO A 233 3.215 -0.569 10.690 1.00 0.00 C ATOM 681 C PRO A 233 3.715 0.615 11.535 1.00 0.00 C ATOM 682 O PRO A 233 2.929 1.400 12.074 1.00 0.00 O ATOM 683 CB PRO A 233 3.545 -0.354 9.209 1.00 0.00 C ATOM 684 CG PRO A 233 2.348 0.445 8.704 1.00 0.00 C ATOM 685 CD PRO A 233 1.183 -0.137 9.503 1.00 0.00 C ATOM 0 HA PRO A 233 3.700 -1.451 11.109 1.00 0.00 H new ATOM 0 HB2 PRO A 233 4.479 0.192 9.079 1.00 0.00 H new ATOM 0 HB3 PRO A 233 3.652 -1.300 8.678 1.00 0.00 H new ATOM 0 HG2 PRO A 233 2.469 1.513 8.887 1.00 0.00 H new ATOM 0 HG3 PRO A 233 2.203 0.320 7.631 1.00 0.00 H new ATOM 0 HD2 PRO A 233 0.447 0.633 9.733 1.00 0.00 H new ATOM 0 HD3 PRO A 233 0.668 -0.910 8.933 1.00 0.00 H new ATOM 693 N ARG A 234 5.047 0.752 11.616 1.00 0.00 N ATOM 694 CA ARG A 234 5.717 1.940 12.146 1.00 0.00 C ATOM 695 C ARG A 234 5.521 3.128 11.185 1.00 0.00 C ATOM 696 O ARG A 234 5.047 2.961 10.058 1.00 0.00 O ATOM 697 CB ARG A 234 7.218 1.651 12.334 1.00 0.00 C ATOM 698 CG ARG A 234 7.494 0.616 13.438 1.00 0.00 C ATOM 699 CD ARG A 234 8.998 0.387 13.639 1.00 0.00 C ATOM 700 NE ARG A 234 9.672 1.588 14.165 1.00 0.00 N ATOM 701 CZ ARG A 234 10.980 1.868 14.061 1.00 0.00 C ATOM 702 NH1 ARG A 234 11.834 1.034 13.463 1.00 0.00 N ATOM 703 NH2 ARG A 234 11.445 3.010 14.568 1.00 0.00 N ATOM 0 H ARG A 234 5.695 0.027 11.309 1.00 0.00 H new ATOM 0 HA ARG A 234 5.281 2.195 13.112 1.00 0.00 H new ATOM 0 HB2 ARG A 234 7.634 1.291 11.393 1.00 0.00 H new ATOM 0 HB3 ARG A 234 7.734 2.580 12.576 1.00 0.00 H new ATOM 0 HG2 ARG A 234 7.049 0.955 14.374 1.00 0.00 H new ATOM 0 HG3 ARG A 234 7.014 -0.328 13.180 1.00 0.00 H new ATOM 0 HD2 ARG A 234 9.150 -0.445 14.327 1.00 0.00 H new ATOM 0 HD3 ARG A 234 9.452 0.103 12.690 1.00 0.00 H new ATOM 0 HE ARG A 234 9.090 2.269 14.653 1.00 0.00 H new ATOM 0 HH11 ARG A 234 11.497 0.155 13.069 1.00 0.00 H new ATOM 0 HH12 ARG A 234 12.823 1.276 13.400 1.00 0.00 H new ATOM 0 HH21 ARG A 234 10.808 3.660 15.029 1.00 0.00 H new ATOM 0 HH22 ARG A 234 12.437 3.234 14.495 1.00 0.00 H new ATOM 717 N GLY A 235 5.925 4.328 11.626 1.00 0.00 N ATOM 718 CA GLY A 235 5.950 5.527 10.794 1.00 0.00 C ATOM 719 C GLY A 235 6.835 5.357 9.552 1.00 0.00 C ATOM 720 O GLY A 235 7.781 4.568 9.558 1.00 0.00 O ATOM 0 H GLY A 235 6.246 4.489 12.581 1.00 0.00 H new ATOM 0 HA2 GLY A 235 4.934 5.772 10.483 1.00 0.00 H new ATOM 0 HA3 GLY A 235 6.314 6.368 11.384 1.00 0.00 H new ATOM 724 N LYS A 236 6.508 6.123 8.501 1.00 0.00 N ATOM 725 CA LYS A 236 7.070 6.049 7.156 1.00 0.00 C ATOM 726 C LYS A 236 7.241 4.607 6.640 1.00 0.00 C ATOM 727 O LYS A 236 8.357 4.095 6.548 1.00 0.00 O ATOM 728 CB LYS A 236 8.326 6.933 7.046 1.00 0.00 C ATOM 729 CG LYS A 236 8.581 7.299 5.579 1.00 0.00 C ATOM 730 CD LYS A 236 9.726 8.303 5.423 1.00 0.00 C ATOM 731 CE LYS A 236 9.949 8.674 3.950 1.00 0.00 C ATOM 732 NZ LYS A 236 8.789 9.369 3.354 1.00 0.00 N ATOM 0 H LYS A 236 5.800 6.853 8.578 1.00 0.00 H new ATOM 0 HA LYS A 236 6.341 6.468 6.462 1.00 0.00 H new ATOM 0 HB2 LYS A 236 8.197 7.839 7.638 1.00 0.00 H new ATOM 0 HB3 LYS A 236 9.189 6.406 7.453 1.00 0.00 H new ATOM 0 HG2 LYS A 236 8.814 6.395 5.016 1.00 0.00 H new ATOM 0 HG3 LYS A 236 7.672 7.718 5.148 1.00 0.00 H new ATOM 0 HD2 LYS A 236 9.504 9.203 5.997 1.00 0.00 H new ATOM 0 HD3 LYS A 236 10.642 7.880 5.836 1.00 0.00 H new ATOM 0 HE2 LYS A 236 10.830 9.311 3.870 1.00 0.00 H new ATOM 0 HE3 LYS A 236 10.157 7.769 3.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 9.052 9.745 2.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 8.000 8.700 3.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 8.498 10.152 3.973 1.00 0.00 H new ATOM 746 N TRP A 237 6.113 3.953 6.324 1.00 0.00 N ATOM 747 CA TRP A 237 6.083 2.628 5.705 1.00 0.00 C ATOM 748 C TRP A 237 6.413 2.740 4.206 1.00 0.00 C ATOM 749 O TRP A 237 6.278 3.807 3.605 1.00 0.00 O ATOM 750 CB TRP A 237 4.715 1.977 5.952 1.00 0.00 C ATOM 751 CG TRP A 237 4.493 0.618 5.343 1.00 0.00 C ATOM 752 CD1 TRP A 237 4.866 -0.571 5.867 1.00 0.00 C ATOM 753 CD2 TRP A 237 3.881 0.292 4.057 1.00 0.00 C ATOM 754 NE1 TRP A 237 4.528 -1.597 5.005 1.00 0.00 N ATOM 755 CE2 TRP A 237 3.922 -1.119 3.863 1.00 0.00 C ATOM 756 CE3 TRP A 237 3.342 1.062 3.011 1.00 0.00 C ATOM 757 CZ2 TRP A 237 3.437 -1.724 2.690 1.00 0.00 C ATOM 758 CZ3 TRP A 237 2.864 0.469 1.828 1.00 0.00 C ATOM 759 CH2 TRP A 237 2.885 -0.925 1.681 1.00 0.00 C ATOM 0 H TRP A 237 5.185 4.339 6.496 1.00 0.00 H new ATOM 0 HA TRP A 237 6.841 1.987 6.155 1.00 0.00 H new ATOM 0 HB2 TRP A 237 4.566 1.896 7.029 1.00 0.00 H new ATOM 0 HB3 TRP A 237 3.945 2.649 5.574 1.00 0.00 H new ATOM 0 HD1 TRP A 237 5.357 -0.700 6.820 1.00 0.00 H new ATOM 0 HE1 TRP A 237 4.705 -2.584 5.191 1.00 0.00 H new ATOM 0 HE3 TRP A 237 3.294 2.136 3.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 237 3.490 -2.796 2.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 237 2.480 1.089 1.031 1.00 0.00 H new ATOM 0 HH2 TRP A 237 2.476 -1.382 0.792 1.00 0.00 H new ATOM 770 N PHE A 238 6.821 1.618 3.599 1.00 0.00 N ATOM 771 CA PHE A 238 7.157 1.528 2.184 1.00 0.00 C ATOM 772 C PHE A 238 6.599 0.225 1.606 1.00 0.00 C ATOM 773 O PHE A 238 6.675 -0.824 2.247 1.00 0.00 O ATOM 774 CB PHE A 238 8.682 1.556 2.005 1.00 0.00 C ATOM 775 CG PHE A 238 9.380 2.802 2.518 1.00 0.00 C ATOM 776 CD1 PHE A 238 9.446 3.963 1.725 1.00 0.00 C ATOM 777 CD2 PHE A 238 9.991 2.791 3.788 1.00 0.00 C ATOM 778 CE1 PHE A 238 10.131 5.100 2.191 1.00 0.00 C ATOM 779 CE2 PHE A 238 10.676 3.926 4.254 1.00 0.00 C ATOM 780 CZ PHE A 238 10.753 5.077 3.452 1.00 0.00 C ATOM 0 H PHE A 238 6.927 0.732 4.094 1.00 0.00 H new ATOM 0 HA PHE A 238 6.719 2.377 1.659 1.00 0.00 H new ATOM 0 HB2 PHE A 238 9.105 0.689 2.513 1.00 0.00 H new ATOM 0 HB3 PHE A 238 8.907 1.446 0.944 1.00 0.00 H new ATOM 0 HD1 PHE A 238 8.969 3.981 0.756 1.00 0.00 H new ATOM 0 HD2 PHE A 238 9.933 1.907 4.405 1.00 0.00 H new ATOM 0 HE1 PHE A 238 10.179 5.990 1.581 1.00 0.00 H new ATOM 0 HE2 PHE A 238 11.143 3.914 5.228 1.00 0.00 H new ATOM 0 HZ PHE A 238 11.290 5.945 3.804 1.00 0.00 H new ATOM 790 N CYS A 239 6.076 0.291 0.374 1.00 0.00 N ATOM 791 CA CYS A 239 5.580 -0.868 -0.358 1.00 0.00 C ATOM 792 C CYS A 239 6.709 -1.843 -0.729 1.00 0.00 C ATOM 793 O CYS A 239 7.875 -1.455 -0.662 1.00 0.00 O ATOM 794 CB CYS A 239 4.775 -0.345 -1.550 1.00 0.00 C ATOM 795 SG CYS A 239 5.804 0.329 -2.876 1.00 0.00 S ATOM 0 H CYS A 239 5.987 1.165 -0.143 1.00 0.00 H new ATOM 0 HA CYS A 239 4.920 -1.472 0.265 1.00 0.00 H new ATOM 0 HB2 CYS A 239 4.165 -1.155 -1.950 1.00 0.00 H new ATOM 0 HB3 CYS A 239 4.090 0.429 -1.204 1.00 0.00 H new ATOM 801 N PRO A 240 6.400 -3.094 -1.136 1.00 0.00 N ATOM 802 CA PRO A 240 7.394 -4.100 -1.522 1.00 0.00 C ATOM 803 C PRO A 240 8.065 -3.812 -2.886 1.00 0.00 C ATOM 804 O PRO A 240 8.431 -4.741 -3.605 1.00 0.00 O ATOM 805 CB PRO A 240 6.650 -5.443 -1.456 1.00 0.00 C ATOM 806 CG PRO A 240 5.213 -5.063 -1.792 1.00 0.00 C ATOM 807 CD PRO A 240 5.069 -3.698 -1.126 1.00 0.00 C ATOM 0 HA PRO A 240 8.249 -4.098 -0.846 1.00 0.00 H new ATOM 0 HB2 PRO A 240 7.053 -6.162 -2.169 1.00 0.00 H new ATOM 0 HB3 PRO A 240 6.726 -5.897 -0.468 1.00 0.00 H new ATOM 0 HG2 PRO A 240 5.048 -5.009 -2.868 1.00 0.00 H new ATOM 0 HG3 PRO A 240 4.499 -5.785 -1.396 1.00 0.00 H new ATOM 0 HD2 PRO A 240 4.355 -3.075 -1.666 1.00 0.00 H new ATOM 0 HD3 PRO A 240 4.696 -3.800 -0.107 1.00 0.00 H new ATOM 815 N ARG A 241 8.250 -2.526 -3.235 1.00 0.00 N ATOM 816 CA ARG A 241 9.047 -2.071 -4.372 1.00 0.00 C ATOM 817 C ARG A 241 9.916 -0.884 -3.950 1.00 0.00 C ATOM 818 O ARG A 241 11.093 -0.830 -4.302 1.00 0.00 O ATOM 819 CB ARG A 241 8.145 -1.671 -5.552 1.00 0.00 C ATOM 820 CG ARG A 241 7.386 -2.855 -6.168 1.00 0.00 C ATOM 821 CD ARG A 241 6.563 -2.385 -7.374 1.00 0.00 C ATOM 822 NE ARG A 241 5.868 -3.503 -8.031 1.00 0.00 N ATOM 823 CZ ARG A 241 6.381 -4.302 -8.981 1.00 0.00 C ATOM 824 NH1 ARG A 241 7.634 -4.158 -9.424 1.00 0.00 N ATOM 825 NH2 ARG A 241 5.623 -5.266 -9.502 1.00 0.00 N ATOM 0 H ARG A 241 7.833 -1.756 -2.712 1.00 0.00 H new ATOM 0 HA ARG A 241 9.686 -2.892 -4.697 1.00 0.00 H new ATOM 0 HB2 ARG A 241 7.426 -0.925 -5.214 1.00 0.00 H new ATOM 0 HB3 ARG A 241 8.755 -1.200 -6.323 1.00 0.00 H new ATOM 0 HG2 ARG A 241 8.091 -3.627 -6.478 1.00 0.00 H new ATOM 0 HG3 ARG A 241 6.729 -3.303 -5.422 1.00 0.00 H new ATOM 0 HD2 ARG A 241 5.833 -1.644 -7.049 1.00 0.00 H new ATOM 0 HD3 ARG A 241 7.219 -1.893 -8.092 1.00 0.00 H new ATOM 0 HE ARG A 241 4.909 -3.688 -7.738 1.00 0.00 H new ATOM 0 HH11 ARG A 241 8.230 -3.425 -9.039 1.00 0.00 H new ATOM 0 HH12 ARG A 241 7.994 -4.781 -10.147 1.00 0.00 H new ATOM 0 HH21 ARG A 241 4.664 -5.391 -9.179 1.00 0.00 H new ATOM 0 HH22 ARG A 241 6.002 -5.879 -10.224 1.00 0.00 H new ATOM 839 N CYS A 242 9.349 0.021 -3.143 1.00 0.00 N ATOM 840 CA CYS A 242 10.007 1.123 -2.486 1.00 0.00 C ATOM 841 C CYS A 242 10.977 0.638 -1.396 1.00 0.00 C ATOM 842 O CYS A 242 12.052 1.213 -1.236 1.00 0.00 O ATOM 843 CB CYS A 242 8.866 1.928 -1.876 1.00 0.00 C ATOM 844 SG CYS A 242 8.046 2.967 -3.122 1.00 0.00 S ATOM 0 H CYS A 242 8.353 -0.012 -2.927 1.00 0.00 H new ATOM 0 HA CYS A 242 10.615 1.707 -3.178 1.00 0.00 H new ATOM 0 HB2 CYS A 242 8.138 1.250 -1.430 1.00 0.00 H new ATOM 0 HB3 CYS A 242 9.251 2.556 -1.073 1.00 0.00 H new ATOM 0 HG CYS A 242 6.937 2.402 -3.497 1.00 0.00 H new ATOM 850 N SER A 243 10.605 -0.432 -0.677 1.00 0.00 N ATOM 851 CA SER A 243 11.422 -1.094 0.336 1.00 0.00 C ATOM 852 C SER A 243 12.445 -2.044 -0.303 1.00 0.00 C ATOM 853 O SER A 243 13.537 -2.215 0.236 1.00 0.00 O ATOM 854 CB SER A 243 10.493 -1.887 1.265 1.00 0.00 C ATOM 855 OG SER A 243 11.202 -2.392 2.376 1.00 0.00 O ATOM 0 H SER A 243 9.692 -0.872 -0.794 1.00 0.00 H new ATOM 0 HA SER A 243 11.974 -0.339 0.895 1.00 0.00 H new ATOM 0 HB2 SER A 243 9.681 -1.246 1.608 1.00 0.00 H new ATOM 0 HB3 SER A 243 10.038 -2.710 0.714 1.00 0.00 H new ATOM 0 HG SER A 243 10.590 -2.892 2.955 1.00 0.00 H new ATOM 861 N GLN A 244 12.095 -2.647 -1.451 1.00 0.00 N ATOM 862 CA GLN A 244 12.933 -3.598 -2.175 1.00 0.00 C ATOM 863 C GLN A 244 14.203 -2.920 -2.716 1.00 0.00 C ATOM 864 O GLN A 244 15.278 -3.518 -2.681 1.00 0.00 O ATOM 865 CB GLN A 244 12.099 -4.235 -3.303 1.00 0.00 C ATOM 866 CG GLN A 244 12.429 -5.715 -3.560 1.00 0.00 C ATOM 867 CD GLN A 244 13.880 -5.972 -3.967 1.00 0.00 C ATOM 868 OE1 GLN A 244 14.641 -6.571 -3.213 1.00 0.00 O ATOM 869 NE2 GLN A 244 14.274 -5.525 -5.158 1.00 0.00 N ATOM 0 H GLN A 244 11.198 -2.478 -1.907 1.00 0.00 H new ATOM 0 HA GLN A 244 13.268 -4.382 -1.496 1.00 0.00 H new ATOM 0 HB2 GLN A 244 11.041 -4.146 -3.055 1.00 0.00 H new ATOM 0 HB3 GLN A 244 12.259 -3.672 -4.223 1.00 0.00 H new ATOM 0 HG2 GLN A 244 12.210 -6.286 -2.658 1.00 0.00 H new ATOM 0 HG3 GLN A 244 11.771 -6.092 -4.344 1.00 0.00 H new ATOM 0 HE21 GLN A 244 13.616 -5.031 -5.760 1.00 0.00 H new ATOM 0 HE22 GLN A 244 15.234 -5.677 -5.468 1.00 0.00 H new ATOM 878 N GLU A 245 14.088 -1.656 -3.157 1.00 0.00 N ATOM 879 CA GLU A 245 15.182 -0.819 -3.637 1.00 0.00 C ATOM 880 C GLU A 245 16.258 -0.545 -2.567 1.00 0.00 C ATOM 881 O GLU A 245 17.370 -0.146 -2.910 1.00 0.00 O ATOM 882 CB GLU A 245 14.605 0.503 -4.188 1.00 0.00 C ATOM 883 CG GLU A 245 15.107 0.838 -5.600 1.00 0.00 C ATOM 884 CD GLU A 245 16.618 1.071 -5.664 1.00 0.00 C ATOM 885 OE1 GLU A 245 17.046 2.171 -5.248 1.00 0.00 O ATOM 886 OE2 GLU A 245 17.319 0.148 -6.135 1.00 0.00 O ATOM 0 H GLU A 245 13.188 -1.176 -3.187 1.00 0.00 H new ATOM 0 HA GLU A 245 15.689 -1.367 -4.431 1.00 0.00 H new ATOM 0 HB2 GLU A 245 13.517 0.440 -4.201 1.00 0.00 H new ATOM 0 HB3 GLU A 245 14.869 1.317 -3.513 1.00 0.00 H new ATOM 0 HG2 GLU A 245 14.843 0.024 -6.275 1.00 0.00 H new ATOM 0 HG3 GLU A 245 14.593 1.730 -5.959 1.00 0.00 H new ATOM 893 N ARG A 246 15.942 -0.772 -1.282 1.00 0.00 N ATOM 894 CA ARG A 246 16.828 -0.528 -0.144 1.00 0.00 C ATOM 895 C ARG A 246 16.755 -1.697 0.861 1.00 0.00 C ATOM 896 O ARG A 246 16.815 -1.496 2.075 1.00 0.00 O ATOM 897 CB ARG A 246 16.499 0.851 0.460 1.00 0.00 C ATOM 898 CG ARG A 246 17.715 1.409 1.209 1.00 0.00 C ATOM 899 CD ARG A 246 17.410 2.713 1.955 1.00 0.00 C ATOM 900 NE ARG A 246 18.610 3.209 2.650 1.00 0.00 N ATOM 901 CZ ARG A 246 19.176 2.656 3.734 1.00 0.00 C ATOM 902 NH1 ARG A 246 18.597 1.651 4.396 1.00 0.00 N ATOM 903 NH2 ARG A 246 20.358 3.099 4.160 1.00 0.00 N ATOM 0 H ARG A 246 15.033 -1.142 -1.003 1.00 0.00 H new ATOM 0 HA ARG A 246 17.870 -0.493 -0.463 1.00 0.00 H new ATOM 0 HB2 ARG A 246 16.203 1.540 -0.331 1.00 0.00 H new ATOM 0 HB3 ARG A 246 15.652 0.764 1.141 1.00 0.00 H new ATOM 0 HG2 ARG A 246 18.070 0.664 1.921 1.00 0.00 H new ATOM 0 HG3 ARG A 246 18.524 1.583 0.499 1.00 0.00 H new ATOM 0 HD2 ARG A 246 17.054 3.466 1.251 1.00 0.00 H new ATOM 0 HD3 ARG A 246 16.609 2.547 2.676 1.00 0.00 H new ATOM 0 HE ARG A 246 19.051 4.048 2.274 1.00 0.00 H new ATOM 0 HH11 ARG A 246 17.699 1.283 4.081 1.00 0.00 H new ATOM 0 HH12 ARG A 246 19.052 1.252 5.217 1.00 0.00 H new ATOM 0 HH21 ARG A 246 20.829 3.855 3.663 1.00 0.00 H new ATOM 0 HH22 ARG A 246 20.792 2.682 4.983 1.00 0.00 H new ATOM 917 N LYS A 247 16.594 -2.923 0.340 1.00 0.00 N ATOM 918 CA LYS A 247 16.532 -4.174 1.082 1.00 0.00 C ATOM 919 C LYS A 247 17.895 -4.466 1.719 1.00 0.00 C ATOM 920 O LYS A 247 18.795 -5.009 1.078 1.00 0.00 O ATOM 921 CB LYS A 247 16.045 -5.290 0.140 1.00 0.00 C ATOM 922 CG LYS A 247 15.790 -6.611 0.878 1.00 0.00 C ATOM 923 CD LYS A 247 15.206 -7.654 -0.082 1.00 0.00 C ATOM 924 CE LYS A 247 14.948 -8.971 0.651 1.00 0.00 C ATOM 925 NZ LYS A 247 14.380 -9.986 -0.257 1.00 0.00 N ATOM 0 H LYS A 247 16.499 -3.067 -0.665 1.00 0.00 H new ATOM 0 HA LYS A 247 15.817 -4.109 1.902 1.00 0.00 H new ATOM 0 HB2 LYS A 247 15.127 -4.970 -0.353 1.00 0.00 H new ATOM 0 HB3 LYS A 247 16.788 -5.451 -0.641 1.00 0.00 H new ATOM 0 HG2 LYS A 247 16.721 -6.982 1.306 1.00 0.00 H new ATOM 0 HG3 LYS A 247 15.102 -6.445 1.707 1.00 0.00 H new ATOM 0 HD2 LYS A 247 14.276 -7.281 -0.511 1.00 0.00 H new ATOM 0 HD3 LYS A 247 15.895 -7.821 -0.910 1.00 0.00 H new ATOM 0 HE2 LYS A 247 15.880 -9.342 1.077 1.00 0.00 H new ATOM 0 HE3 LYS A 247 14.264 -8.799 1.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 247 14.216 -10.868 0.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 247 13.479 -9.640 -0.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 247 15.045 -10.166 -1.036 1.00 0.00 H new ATOM 939 N LYS A 248 18.005 -4.069 2.993 1.00 0.00 N ATOM 940 CA LYS A 248 19.193 -4.109 3.847 1.00 0.00 C ATOM 941 C LYS A 248 20.366 -3.317 3.252 1.00 0.00 C ATOM 942 O LYS A 248 21.159 -3.847 2.473 1.00 0.00 O ATOM 943 CB LYS A 248 19.549 -5.560 4.228 1.00 0.00 C ATOM 944 CG LYS A 248 20.641 -5.605 5.311 1.00 0.00 C ATOM 945 CD LYS A 248 20.981 -7.047 5.703 1.00 0.00 C ATOM 946 CE LYS A 248 22.085 -7.045 6.765 1.00 0.00 C ATOM 947 NZ LYS A 248 22.454 -8.414 7.168 1.00 0.00 N ATOM 0 H LYS A 248 17.202 -3.682 3.489 1.00 0.00 H new ATOM 0 HA LYS A 248 18.957 -3.596 4.780 1.00 0.00 H new ATOM 0 HB2 LYS A 248 18.657 -6.073 4.588 1.00 0.00 H new ATOM 0 HB3 LYS A 248 19.890 -6.097 3.343 1.00 0.00 H new ATOM 0 HG2 LYS A 248 21.538 -5.104 4.946 1.00 0.00 H new ATOM 0 HG3 LYS A 248 20.305 -5.057 6.191 1.00 0.00 H new ATOM 0 HD2 LYS A 248 20.093 -7.549 6.088 1.00 0.00 H new ATOM 0 HD3 LYS A 248 21.308 -7.606 4.826 1.00 0.00 H new ATOM 0 HE2 LYS A 248 22.964 -6.531 6.376 1.00 0.00 H new ATOM 0 HE3 LYS A 248 21.749 -6.486 7.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 248 23.204 -8.374 7.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 248 21.621 -8.896 7.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 248 22.798 -8.939 6.339 1.00 0.00 H new ATOM 961 N LYS A 249 20.471 -2.043 3.659 1.00 0.00 N ATOM 962 CA LYS A 249 21.534 -1.108 3.289 1.00 0.00 C ATOM 963 C LYS A 249 21.905 -0.243 4.498 1.00 0.00 C ATOM 964 O LYS A 249 23.117 0.015 4.653 1.00 0.00 O ATOM 965 CB LYS A 249 21.092 -0.203 2.123 1.00 0.00 C ATOM 966 CG LYS A 249 20.777 -0.911 0.795 1.00 0.00 C ATOM 967 CD LYS A 249 22.022 -1.525 0.141 1.00 0.00 C ATOM 968 CE LYS A 249 21.637 -2.192 -1.180 1.00 0.00 C ATOM 969 NZ LYS A 249 22.812 -2.780 -1.847 1.00 0.00 N ATOM 970 OXT LYS A 249 20.979 0.159 5.241 1.00 0.00 O ATOM 0 H LYS A 249 19.784 -1.621 4.284 1.00 0.00 H new ATOM 0 HA LYS A 249 22.401 -1.685 2.968 1.00 0.00 H new ATOM 0 HB2 LYS A 249 20.206 0.349 2.435 1.00 0.00 H new ATOM 0 HB3 LYS A 249 21.878 0.531 1.942 1.00 0.00 H new ATOM 0 HG2 LYS A 249 20.041 -1.695 0.972 1.00 0.00 H new ATOM 0 HG3 LYS A 249 20.324 -0.198 0.106 1.00 0.00 H new ATOM 0 HD2 LYS A 249 22.770 -0.752 -0.036 1.00 0.00 H new ATOM 0 HD3 LYS A 249 22.472 -2.257 0.811 1.00 0.00 H new ATOM 0 HE2 LYS A 249 20.895 -2.969 -0.995 1.00 0.00 H new ATOM 0 HE3 LYS A 249 21.172 -1.458 -1.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 249 22.518 -3.225 -2.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 249 23.509 -2.034 -2.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 249 23.240 -3.497 -1.228 1.00 0.00 H new TER 984 LYS A 249 HETATM 985 ZN ZN A 301 -4.687 -4.931 -2.299 1.00 0.00 ZN HETATM 986 ZN ZN A 302 4.675 2.445 -2.926 1.00 0.00 ZN