USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=21 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 NoAdj : A 214 ASNHD21 : A 214 ASN OD1 : A 251 ZNZN :(metal ligand) USER MOD NoAdj : A 214 ASNHD22 : A 214 ASN OD1 : A 251 ZNZN :(metal ligand) USER MOD Set 1.1: A 212 CYS SG : rot -54:sc= -6.37! USER MOD Set 1.2: A 217 CYS SG : rot -171:sc= 1.75 USER MOD Set 1.3: A 239 CYS SG : rot 160:sc= 0.528 USER MOD Set 1.4: A 242 CYS SG : rot 115:sc= 1.41 USER MOD Set 2.1: A 199 CYS SG : rot -149:sc= 0.399 USER MOD Set 2.2: A 201 CYS SG : rot 109:sc= 0.181 USER MOD Set 2.3: A 226 CYS SG : rot 138:sc= 0.777 USER MOD Set 3.1: A 206 TYR OH : rot 177:sc= 0.0702 USER MOD Set 3.2: A 209 MET CE :methyl -166:sc= -0.274 (180deg=-0.86) USER MOD Set 4.1: A 197 THR OG1 : rot 152:sc= 0.0302 USER MOD Set 4.2: A 202 HIS : no HD1:sc= 0.0275 X(o=0.058,f=0) USER MOD Single : A 187 MET CE :methyl 174:sc= 0 (180deg=-0.0621) USER MOD Single : A 189 MET CE :methyl -169:sc= -0.0173 (180deg=-0.197) USER MOD Single : A 194 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 205 SER OG : rot 180:sc= 0 USER MOD Single : A 218 SER OG : rot -32:sc= 0.312 USER MOD Single : A 223 HIS : no HD1:sc= -2.08 K(o=-2.1,f=-1.6) 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+ -116:sc= 0.0398 (180deg=-0.00549) USER MOD Single : A 236 LYS NZ :NH3+ 180:sc= -0.0213 (180deg=-0.0213) USER MOD Single : A 243 SER OG : rot 180:sc= 0 USER MOD Single : A 244 GLN : amide:sc=-0.00474 K(o=-0.0047,f=-1.6!) USER MOD Single : A 247 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0813) USER MOD Single : A 248 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0114) USER MOD Single : A 249 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 187 -2.808 11.475 -7.725 1.00 0.00 N ATOM 2 CA MET A 187 -3.476 10.956 -6.516 1.00 0.00 C ATOM 3 C MET A 187 -2.494 10.060 -5.763 1.00 0.00 C ATOM 4 O MET A 187 -2.457 8.846 -5.962 1.00 0.00 O ATOM 5 CB MET A 187 -4.795 10.256 -6.882 1.00 0.00 C ATOM 6 CG MET A 187 -5.585 9.832 -5.639 1.00 0.00 C ATOM 7 SD MET A 187 -7.214 9.111 -5.980 1.00 0.00 S ATOM 8 CE MET A 187 -6.735 7.557 -6.781 1.00 0.00 C ATOM 0 HA MET A 187 -3.757 11.771 -5.849 1.00 0.00 H new ATOM 0 HB2 MET A 187 -5.405 10.926 -7.488 1.00 0.00 H new ATOM 0 HB3 MET A 187 -4.582 9.379 -7.493 1.00 0.00 H new ATOM 0 HG2 MET A 187 -4.993 9.108 -5.079 1.00 0.00 H new ATOM 0 HG3 MET A 187 -5.716 10.702 -4.995 1.00 0.00 H new ATOM 0 HE1 MET A 187 -7.623 6.949 -6.956 1.00 0.00 H new ATOM 0 HE2 MET A 187 -6.250 7.773 -7.733 1.00 0.00 H new ATOM 0 HE3 MET A 187 -6.044 7.013 -6.137 1.00 0.00 H new ATOM 20 N ASP A 188 -1.660 10.706 -4.940 1.00 0.00 N ATOM 21 CA ASP A 188 -0.486 10.117 -4.302 1.00 0.00 C ATOM 22 C ASP A 188 0.037 11.037 -3.184 1.00 0.00 C ATOM 23 O ASP A 188 -0.557 12.075 -2.886 1.00 0.00 O ATOM 24 CB ASP A 188 0.596 9.892 -5.384 1.00 0.00 C ATOM 25 CG ASP A 188 1.007 11.188 -6.093 1.00 0.00 C ATOM 26 OD1 ASP A 188 0.291 11.573 -7.047 1.00 0.00 O ATOM 27 OD2 ASP A 188 2.023 11.777 -5.664 1.00 0.00 O ATOM 0 H ASP A 188 -1.792 11.687 -4.694 1.00 0.00 H new ATOM 0 HA ASP A 188 -0.748 9.163 -3.845 1.00 0.00 H new ATOM 0 HB2 ASP A 188 1.475 9.441 -4.924 1.00 0.00 H new ATOM 0 HB3 ASP A 188 0.223 9.182 -6.122 1.00 0.00 H new ATOM 32 N MET A 189 1.182 10.659 -2.599 1.00 0.00 N ATOM 33 CA MET A 189 1.966 11.469 -1.678 1.00 0.00 C ATOM 34 C MET A 189 3.441 11.377 -2.115 1.00 0.00 C ATOM 35 O MET A 189 4.060 10.328 -1.936 1.00 0.00 O ATOM 36 CB MET A 189 1.720 11.084 -0.203 1.00 0.00 C ATOM 37 CG MET A 189 1.883 9.609 0.209 1.00 0.00 C ATOM 38 SD MET A 189 0.686 8.402 -0.441 1.00 0.00 S ATOM 39 CE MET A 189 -0.860 9.040 0.258 1.00 0.00 C ATOM 0 H MET A 189 1.597 9.743 -2.766 1.00 0.00 H new ATOM 0 HA MET A 189 1.654 12.512 -1.725 1.00 0.00 H new ATOM 0 HB2 MET A 189 2.398 11.677 0.412 1.00 0.00 H new ATOM 0 HB3 MET A 189 0.706 11.390 0.055 1.00 0.00 H new ATOM 0 HG2 MET A 189 2.880 9.286 -0.093 1.00 0.00 H new ATOM 0 HG3 MET A 189 1.848 9.561 1.297 1.00 0.00 H new ATOM 0 HE1 MET A 189 -1.654 8.307 0.115 1.00 0.00 H new ATOM 0 HE2 MET A 189 -0.727 9.229 1.323 1.00 0.00 H new ATOM 0 HE3 MET A 189 -1.130 9.969 -0.244 1.00 0.00 H new ATOM 49 N PRO A 190 4.010 12.435 -2.733 1.00 0.00 N ATOM 50 CA PRO A 190 5.349 12.415 -3.328 1.00 0.00 C ATOM 51 C PRO A 190 6.480 12.588 -2.293 1.00 0.00 C ATOM 52 O PRO A 190 7.616 12.872 -2.674 1.00 0.00 O ATOM 53 CB PRO A 190 5.323 13.551 -4.359 1.00 0.00 C ATOM 54 CG PRO A 190 4.418 14.586 -3.698 1.00 0.00 C ATOM 55 CD PRO A 190 3.367 13.715 -3.013 1.00 0.00 C ATOM 0 HA PRO A 190 5.570 11.448 -3.780 1.00 0.00 H new ATOM 0 HB2 PRO A 190 6.320 13.948 -4.549 1.00 0.00 H new ATOM 0 HB3 PRO A 190 4.925 13.218 -5.317 1.00 0.00 H new ATOM 0 HG2 PRO A 190 4.962 15.204 -2.983 1.00 0.00 H new ATOM 0 HG3 PRO A 190 3.972 15.261 -4.428 1.00 0.00 H new ATOM 0 HD2 PRO A 190 3.015 14.182 -2.093 1.00 0.00 H new ATOM 0 HD3 PRO A 190 2.496 13.580 -3.655 1.00 0.00 H new ATOM 63 N VAL A 191 6.179 12.432 -0.995 1.00 0.00 N ATOM 64 CA VAL A 191 7.066 12.652 0.128 1.00 0.00 C ATOM 65 C VAL A 191 6.892 11.502 1.122 1.00 0.00 C ATOM 66 O VAL A 191 5.781 11.052 1.409 1.00 0.00 O ATOM 67 CB VAL A 191 6.771 14.015 0.787 1.00 0.00 C ATOM 68 CG1 VAL A 191 7.314 15.167 -0.073 1.00 0.00 C ATOM 69 CG2 VAL A 191 5.286 14.276 1.107 1.00 0.00 C ATOM 0 H VAL A 191 5.251 12.131 -0.697 1.00 0.00 H new ATOM 0 HA VAL A 191 8.101 12.674 -0.212 1.00 0.00 H new ATOM 0 HB VAL A 191 7.287 13.972 1.746 1.00 0.00 H new ATOM 0 HG11 VAL A 191 7.094 16.118 0.412 1.00 0.00 H new ATOM 0 HG12 VAL A 191 8.393 15.059 -0.187 1.00 0.00 H new ATOM 0 HG13 VAL A 191 6.841 15.142 -1.055 1.00 0.00 H new ATOM 0 HG21 VAL A 191 5.180 15.258 1.567 1.00 0.00 H new ATOM 0 HG22 VAL A 191 4.704 14.242 0.186 1.00 0.00 H new ATOM 0 HG23 VAL A 191 4.922 13.512 1.794 1.00 0.00 H new ATOM 79 N ASP A 192 8.032 11.041 1.637 1.00 0.00 N ATOM 80 CA ASP A 192 8.153 9.975 2.626 1.00 0.00 C ATOM 81 C ASP A 192 7.585 10.389 3.995 1.00 0.00 C ATOM 82 O ASP A 192 7.534 11.581 4.303 1.00 0.00 O ATOM 83 CB ASP A 192 9.645 9.630 2.783 1.00 0.00 C ATOM 84 CG ASP A 192 10.207 8.946 1.538 1.00 0.00 C ATOM 85 OD1 ASP A 192 10.685 9.680 0.645 1.00 0.00 O ATOM 86 OD2 ASP A 192 10.147 7.698 1.505 1.00 0.00 O ATOM 0 H ASP A 192 8.938 11.420 1.361 1.00 0.00 H new ATOM 0 HA ASP A 192 7.580 9.116 2.278 1.00 0.00 H new ATOM 0 HB2 ASP A 192 10.209 10.541 2.982 1.00 0.00 H new ATOM 0 HB3 ASP A 192 9.778 8.978 3.646 1.00 0.00 H new ATOM 91 N PRO A 193 7.234 9.417 4.865 1.00 0.00 N ATOM 92 CA PRO A 193 6.921 9.669 6.273 1.00 0.00 C ATOM 93 C PRO A 193 8.184 10.003 7.099 1.00 0.00 C ATOM 94 O PRO A 193 8.085 10.209 8.308 1.00 0.00 O ATOM 95 CB PRO A 193 6.242 8.383 6.759 1.00 0.00 C ATOM 96 CG PRO A 193 6.911 7.298 5.919 1.00 0.00 C ATOM 97 CD PRO A 193 7.134 7.991 4.575 1.00 0.00 C ATOM 0 HA PRO A 193 6.277 10.540 6.394 1.00 0.00 H new ATOM 0 HB2 PRO A 193 6.400 8.222 7.825 1.00 0.00 H new ATOM 0 HB3 PRO A 193 5.164 8.411 6.597 1.00 0.00 H new ATOM 0 HG2 PRO A 193 7.850 6.966 6.362 1.00 0.00 H new ATOM 0 HG3 PRO A 193 6.277 6.417 5.818 1.00 0.00 H new ATOM 0 HD2 PRO A 193 8.042 7.627 4.095 1.00 0.00 H new ATOM 0 HD3 PRO A 193 6.309 7.790 3.891 1.00 0.00 H new ATOM 105 N ASN A 194 9.356 10.069 6.446 1.00 0.00 N ATOM 106 CA ASN A 194 10.672 10.325 7.026 1.00 0.00 C ATOM 107 C ASN A 194 11.172 11.727 6.630 1.00 0.00 C ATOM 108 O ASN A 194 12.362 11.929 6.390 1.00 0.00 O ATOM 109 CB ASN A 194 11.632 9.209 6.572 1.00 0.00 C ATOM 110 CG ASN A 194 11.085 7.810 6.852 1.00 0.00 C ATOM 111 OD1 ASN A 194 10.982 7.392 8.001 1.00 0.00 O ATOM 112 ND2 ASN A 194 10.719 7.079 5.799 1.00 0.00 N ATOM 0 H ASN A 194 9.406 9.936 5.436 1.00 0.00 H new ATOM 0 HA ASN A 194 10.618 10.313 8.115 1.00 0.00 H new ATOM 0 HB2 ASN A 194 11.824 9.313 5.504 1.00 0.00 H new ATOM 0 HB3 ASN A 194 12.589 9.329 7.081 1.00 0.00 H new ATOM 0 HD21 ASN A 194 10.340 6.142 5.936 1.00 0.00 H new ATOM 0 HD22 ASN A 194 10.818 7.457 4.857 1.00 0.00 H new ATOM 119 N GLU A 195 10.238 12.683 6.532 1.00 0.00 N ATOM 120 CA GLU A 195 10.446 14.035 6.023 1.00 0.00 C ATOM 121 C GLU A 195 9.607 14.998 6.882 1.00 0.00 C ATOM 122 O GLU A 195 8.413 14.743 7.062 1.00 0.00 O ATOM 123 CB GLU A 195 10.004 14.068 4.546 1.00 0.00 C ATOM 124 CG GLU A 195 10.260 15.405 3.830 1.00 0.00 C ATOM 125 CD GLU A 195 11.744 15.764 3.689 1.00 0.00 C ATOM 126 OE1 GLU A 195 12.549 14.843 3.429 1.00 0.00 O ATOM 127 OE2 GLU A 195 12.052 16.968 3.831 1.00 0.00 O ATOM 0 H GLU A 195 9.273 12.521 6.821 1.00 0.00 H new ATOM 0 HA GLU A 195 11.492 14.335 6.078 1.00 0.00 H new ATOM 0 HB2 GLU A 195 10.525 13.277 4.007 1.00 0.00 H new ATOM 0 HB3 GLU A 195 8.939 13.841 4.494 1.00 0.00 H new ATOM 0 HG2 GLU A 195 9.811 15.366 2.838 1.00 0.00 H new ATOM 0 HG3 GLU A 195 9.755 16.201 4.377 1.00 0.00 H new ATOM 134 N PRO A 196 10.186 16.091 7.422 1.00 0.00 N ATOM 135 CA PRO A 196 9.464 17.035 8.271 1.00 0.00 C ATOM 136 C PRO A 196 8.431 17.849 7.480 1.00 0.00 C ATOM 137 O PRO A 196 8.540 18.012 6.264 1.00 0.00 O ATOM 138 CB PRO A 196 10.537 17.933 8.897 1.00 0.00 C ATOM 139 CG PRO A 196 11.669 17.898 7.873 1.00 0.00 C ATOM 140 CD PRO A 196 11.588 16.473 7.332 1.00 0.00 C ATOM 0 HA PRO A 196 8.886 16.514 9.034 1.00 0.00 H new ATOM 0 HB2 PRO A 196 10.170 18.947 9.056 1.00 0.00 H new ATOM 0 HB3 PRO A 196 10.861 17.556 9.867 1.00 0.00 H new ATOM 0 HG2 PRO A 196 11.526 18.639 7.086 1.00 0.00 H new ATOM 0 HG3 PRO A 196 12.636 18.103 8.332 1.00 0.00 H new ATOM 0 HD2 PRO A 196 11.940 16.426 6.302 1.00 0.00 H new ATOM 0 HD3 PRO A 196 12.215 15.798 7.914 1.00 0.00 H new ATOM 148 N THR A 197 7.429 18.373 8.198 1.00 0.00 N ATOM 149 CA THR A 197 6.294 19.099 7.646 1.00 0.00 C ATOM 150 C THR A 197 5.885 20.242 8.584 1.00 0.00 C ATOM 151 O THR A 197 6.418 20.385 9.686 1.00 0.00 O ATOM 152 CB THR A 197 5.101 18.146 7.396 1.00 0.00 C ATOM 153 OG1 THR A 197 4.633 17.580 8.606 1.00 0.00 O ATOM 154 CG2 THR A 197 5.412 17.013 6.410 1.00 0.00 C ATOM 0 H THR A 197 7.392 18.296 9.214 1.00 0.00 H new ATOM 0 HA THR A 197 6.592 19.526 6.688 1.00 0.00 H new ATOM 0 HB THR A 197 4.330 18.773 6.948 1.00 0.00 H new ATOM 0 HG1 THR A 197 3.679 17.373 8.523 1.00 0.00 H new ATOM 0 HG21 THR A 197 4.529 16.387 6.285 1.00 0.00 H new ATOM 0 HG22 THR A 197 5.695 17.437 5.447 1.00 0.00 H new ATOM 0 HG23 THR A 197 6.233 16.409 6.797 1.00 0.00 H new ATOM 162 N TYR A 198 4.915 21.043 8.129 1.00 0.00 N ATOM 163 CA TYR A 198 4.476 22.269 8.792 1.00 0.00 C ATOM 164 C TYR A 198 2.949 22.395 8.843 1.00 0.00 C ATOM 165 O TYR A 198 2.395 22.101 9.898 1.00 0.00 O ATOM 166 CB TYR A 198 5.132 23.468 8.106 1.00 0.00 C ATOM 167 CG TYR A 198 6.625 23.602 8.356 1.00 0.00 C ATOM 168 CD1 TYR A 198 7.095 23.870 9.657 1.00 0.00 C ATOM 169 CD2 TYR A 198 7.542 23.479 7.293 1.00 0.00 C ATOM 170 CE1 TYR A 198 8.469 24.034 9.899 1.00 0.00 C ATOM 171 CE2 TYR A 198 8.920 23.643 7.526 1.00 0.00 C ATOM 172 CZ TYR A 198 9.389 23.925 8.830 1.00 0.00 C ATOM 173 OH TYR A 198 10.723 24.090 9.057 1.00 0.00 O ATOM 0 H TYR A 198 4.403 20.849 7.268 1.00 0.00 H new ATOM 0 HA TYR A 198 4.796 22.236 9.834 1.00 0.00 H new ATOM 0 HB2 TYR A 198 4.962 23.393 7.032 1.00 0.00 H new ATOM 0 HB3 TYR A 198 4.637 24.379 8.444 1.00 0.00 H new ATOM 0 HD1 TYR A 198 6.394 23.950 10.474 1.00 0.00 H new ATOM 0 HD2 TYR A 198 7.186 23.258 6.297 1.00 0.00 H new ATOM 0 HE1 TYR A 198 8.822 24.243 10.898 1.00 0.00 H new ATOM 0 HE2 TYR A 198 9.620 23.553 6.708 1.00 0.00 H new ATOM 0 HH TYR A 198 11.214 23.981 8.216 1.00 0.00 H new ATOM 183 N CYS A 199 2.277 22.822 7.754 1.00 0.00 N ATOM 184 CA CYS A 199 0.826 23.032 7.710 1.00 0.00 C ATOM 185 C CYS A 199 0.034 21.787 8.119 1.00 0.00 C ATOM 186 O CYS A 199 0.554 20.671 8.122 1.00 0.00 O ATOM 187 CB CYS A 199 0.323 23.646 6.377 1.00 0.00 C ATOM 188 SG CYS A 199 -1.190 24.607 6.711 1.00 0.00 S ATOM 0 H CYS A 199 2.740 23.032 6.870 1.00 0.00 H new ATOM 0 HA CYS A 199 0.627 23.789 8.469 1.00 0.00 H new ATOM 0 HB2 CYS A 199 1.090 24.287 5.943 1.00 0.00 H new ATOM 0 HB3 CYS A 199 0.118 22.859 5.652 1.00 0.00 H new ATOM 0 HG CYS A 199 -1.965 24.573 5.667 1.00 0.00 H new ATOM 193 N LEU A 200 -1.255 21.999 8.409 1.00 0.00 N ATOM 194 CA LEU A 200 -2.231 20.929 8.636 1.00 0.00 C ATOM 195 C LEU A 200 -2.452 20.046 7.391 1.00 0.00 C ATOM 196 O LEU A 200 -3.140 19.030 7.465 1.00 0.00 O ATOM 197 CB LEU A 200 -3.542 21.468 9.242 1.00 0.00 C ATOM 198 CG LEU A 200 -4.098 22.772 8.645 1.00 0.00 C ATOM 199 CD1 LEU A 200 -4.419 22.691 7.146 1.00 0.00 C ATOM 200 CD2 LEU A 200 -5.367 23.183 9.407 1.00 0.00 C ATOM 0 H LEU A 200 -1.655 22.934 8.494 1.00 0.00 H new ATOM 0 HA LEU A 200 -1.800 20.263 9.384 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -4.305 20.696 9.142 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -3.384 21.623 10.309 1.00 0.00 H new ATOM 0 HG LEU A 200 -3.308 23.515 8.753 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -4.806 23.651 6.804 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -3.512 22.447 6.592 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -5.167 21.917 6.975 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -5.762 24.107 8.985 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -6.115 22.395 9.319 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -5.126 23.339 10.458 1.00 0.00 H new ATOM 212 N CYS A 201 -1.833 20.422 6.263 1.00 0.00 N ATOM 213 CA CYS A 201 -1.728 19.641 5.040 1.00 0.00 C ATOM 214 C CYS A 201 -0.689 18.514 5.131 1.00 0.00 C ATOM 215 O CYS A 201 -0.747 17.570 4.346 1.00 0.00 O ATOM 216 CB CYS A 201 -1.235 20.596 3.962 1.00 0.00 C ATOM 217 SG CYS A 201 -2.423 21.913 3.598 1.00 0.00 S ATOM 0 H CYS A 201 -1.371 21.328 6.184 1.00 0.00 H new ATOM 0 HA CYS A 201 -2.700 19.190 4.839 1.00 0.00 H new ATOM 0 HB2 CYS A 201 -0.292 21.041 4.280 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -1.031 20.034 3.050 1.00 0.00 H new ATOM 0 HG CYS A 201 -1.968 23.045 4.048 1.00 0.00 H new ATOM 223 N HIS A 202 0.271 18.647 6.058 1.00 0.00 N ATOM 224 CA HIS A 202 1.471 17.832 6.203 1.00 0.00 C ATOM 225 C HIS A 202 2.308 17.811 4.919 1.00 0.00 C ATOM 226 O HIS A 202 2.423 16.788 4.246 1.00 0.00 O ATOM 227 CB HIS A 202 1.155 16.458 6.812 1.00 0.00 C ATOM 228 CG HIS A 202 0.709 16.573 8.248 1.00 0.00 C ATOM 229 ND1 HIS A 202 1.526 16.523 9.354 1.00 0.00 N ATOM 230 CD2 HIS A 202 -0.560 16.827 8.696 1.00 0.00 C ATOM 231 CE1 HIS A 202 0.761 16.737 10.438 1.00 0.00 C ATOM 232 NE2 HIS A 202 -0.522 16.930 10.090 1.00 0.00 N ATOM 0 H HIS A 202 0.220 19.376 6.769 1.00 0.00 H new ATOM 0 HA HIS A 202 2.125 18.305 6.935 1.00 0.00 H new ATOM 0 HB2 HIS A 202 0.375 15.971 6.227 1.00 0.00 H new ATOM 0 HB3 HIS A 202 2.039 15.823 6.755 1.00 0.00 H new ATOM 0 HD2 HIS A 202 -1.440 16.930 8.078 1.00 0.00 H new ATOM 0 HE1 HIS A 202 1.129 16.752 11.453 1.00 0.00 H new ATOM 0 HE2 HIS A 202 -1.307 17.114 10.714 1.00 0.00 H new ATOM 240 N GLN A 203 2.905 18.974 4.615 1.00 0.00 N ATOM 241 CA GLN A 203 3.873 19.173 3.546 1.00 0.00 C ATOM 242 C GLN A 203 5.135 19.898 4.043 1.00 0.00 C ATOM 243 O GLN A 203 5.111 20.578 5.069 1.00 0.00 O ATOM 244 CB GLN A 203 3.205 19.859 2.336 1.00 0.00 C ATOM 245 CG GLN A 203 3.113 21.397 2.356 1.00 0.00 C ATOM 246 CD GLN A 203 2.218 21.994 3.441 1.00 0.00 C ATOM 247 OE1 GLN A 203 1.113 22.456 3.161 1.00 0.00 O ATOM 248 NE2 GLN A 203 2.695 22.072 4.679 1.00 0.00 N ATOM 0 H GLN A 203 2.713 19.831 5.134 1.00 0.00 H new ATOM 0 HA GLN A 203 4.220 18.198 3.204 1.00 0.00 H new ATOM 0 HB2 GLN A 203 3.750 19.566 1.439 1.00 0.00 H new ATOM 0 HB3 GLN A 203 2.194 19.462 2.239 1.00 0.00 H new ATOM 0 HG2 GLN A 203 4.118 21.801 2.477 1.00 0.00 H new ATOM 0 HG3 GLN A 203 2.749 21.733 1.385 1.00 0.00 H new ATOM 0 HE21 GLN A 203 3.613 21.685 4.897 1.00 0.00 H new ATOM 0 HE22 GLN A 203 2.143 22.519 5.411 1.00 0.00 H new ATOM 257 N VAL A 204 6.232 19.747 3.289 1.00 0.00 N ATOM 258 CA VAL A 204 7.559 20.319 3.560 1.00 0.00 C ATOM 259 C VAL A 204 7.536 21.858 3.420 1.00 0.00 C ATOM 260 O VAL A 204 6.491 22.454 3.154 1.00 0.00 O ATOM 261 CB VAL A 204 8.632 19.660 2.639 1.00 0.00 C ATOM 262 CG1 VAL A 204 10.013 19.579 3.319 1.00 0.00 C ATOM 263 CG2 VAL A 204 8.291 18.222 2.194 1.00 0.00 C ATOM 0 H VAL A 204 6.218 19.196 2.431 1.00 0.00 H new ATOM 0 HA VAL A 204 7.833 20.099 4.592 1.00 0.00 H new ATOM 0 HB VAL A 204 8.647 20.317 1.770 1.00 0.00 H new ATOM 0 HG11 VAL A 204 10.726 19.113 2.639 1.00 0.00 H new ATOM 0 HG12 VAL A 204 10.354 20.583 3.571 1.00 0.00 H new ATOM 0 HG13 VAL A 204 9.936 18.983 4.229 1.00 0.00 H new ATOM 0 HG21 VAL A 204 9.089 17.839 1.557 1.00 0.00 H new ATOM 0 HG22 VAL A 204 8.190 17.584 3.072 1.00 0.00 H new ATOM 0 HG23 VAL A 204 7.353 18.226 1.638 1.00 0.00 H new ATOM 273 N SER A 205 8.702 22.494 3.601 1.00 0.00 N ATOM 274 CA SER A 205 8.968 23.927 3.447 1.00 0.00 C ATOM 275 C SER A 205 8.339 24.546 2.186 1.00 0.00 C ATOM 276 O SER A 205 8.168 23.888 1.158 1.00 0.00 O ATOM 277 CB SER A 205 10.481 24.179 3.502 1.00 0.00 C ATOM 278 OG SER A 205 11.153 23.519 2.448 1.00 0.00 O ATOM 0 H SER A 205 9.540 21.983 3.878 1.00 0.00 H new ATOM 0 HA SER A 205 8.482 24.433 4.281 1.00 0.00 H new ATOM 0 HB2 SER A 205 10.675 25.250 3.445 1.00 0.00 H new ATOM 0 HB3 SER A 205 10.874 23.834 4.458 1.00 0.00 H new ATOM 0 HG SER A 205 12.114 23.700 2.509 1.00 0.00 H new ATOM 284 N TYR A 206 7.992 25.834 2.300 1.00 0.00 N ATOM 285 CA TYR A 206 7.150 26.566 1.357 1.00 0.00 C ATOM 286 C TYR A 206 7.456 28.072 1.377 1.00 0.00 C ATOM 287 O TYR A 206 8.178 28.562 2.246 1.00 0.00 O ATOM 288 CB TYR A 206 5.672 26.283 1.699 1.00 0.00 C ATOM 289 CG TYR A 206 5.264 26.559 3.140 1.00 0.00 C ATOM 290 CD1 TYR A 206 5.644 25.668 4.165 1.00 0.00 C ATOM 291 CD2 TYR A 206 4.489 27.690 3.463 1.00 0.00 C ATOM 292 CE1 TYR A 206 5.300 25.918 5.500 1.00 0.00 C ATOM 293 CE2 TYR A 206 4.075 27.894 4.791 1.00 0.00 C ATOM 294 CZ TYR A 206 4.479 27.013 5.813 1.00 0.00 C ATOM 295 OH TYR A 206 4.079 27.218 7.096 1.00 0.00 O ATOM 0 H TYR A 206 8.303 26.412 3.081 1.00 0.00 H new ATOM 0 HA TYR A 206 7.360 26.226 0.343 1.00 0.00 H new ATOM 0 HB2 TYR A 206 5.044 26.884 1.041 1.00 0.00 H new ATOM 0 HB3 TYR A 206 5.460 25.238 1.474 1.00 0.00 H new ATOM 0 HD1 TYR A 206 6.208 24.781 3.917 1.00 0.00 H new ATOM 0 HD2 TYR A 206 4.214 28.397 2.694 1.00 0.00 H new ATOM 0 HE1 TYR A 206 5.665 25.271 6.284 1.00 0.00 H new ATOM 0 HE2 TYR A 206 3.441 28.735 5.030 1.00 0.00 H new ATOM 0 HH TYR A 206 3.557 28.046 7.148 1.00 0.00 H new ATOM 305 N GLY A 207 6.905 28.795 0.391 1.00 0.00 N ATOM 306 CA GLY A 207 7.249 30.182 0.096 1.00 0.00 C ATOM 307 C GLY A 207 6.724 31.199 1.111 1.00 0.00 C ATOM 308 O GLY A 207 7.505 32.026 1.580 1.00 0.00 O ATOM 0 H GLY A 207 6.193 28.418 -0.234 1.00 0.00 H new ATOM 0 HA2 GLY A 207 8.334 30.270 0.042 1.00 0.00 H new ATOM 0 HA3 GLY A 207 6.859 30.437 -0.889 1.00 0.00 H new ATOM 312 N GLU A 208 5.430 31.135 1.463 1.00 0.00 N ATOM 313 CA GLU A 208 4.752 32.157 2.250 1.00 0.00 C ATOM 314 C GLU A 208 4.107 31.529 3.483 1.00 0.00 C ATOM 315 O GLU A 208 3.285 30.620 3.371 1.00 0.00 O ATOM 316 CB GLU A 208 3.782 32.922 1.343 1.00 0.00 C ATOM 317 CG GLU A 208 2.415 32.281 1.022 1.00 0.00 C ATOM 318 CD GLU A 208 2.466 30.884 0.390 1.00 0.00 C ATOM 319 OE1 GLU A 208 3.287 30.687 -0.534 1.00 0.00 O ATOM 320 OE2 GLU A 208 1.668 30.030 0.838 1.00 0.00 O ATOM 0 H GLU A 208 4.824 30.358 1.201 1.00 0.00 H new ATOM 0 HA GLU A 208 5.458 32.891 2.638 1.00 0.00 H new ATOM 0 HB2 GLU A 208 3.594 33.892 1.802 1.00 0.00 H new ATOM 0 HB3 GLU A 208 4.290 33.110 0.397 1.00 0.00 H new ATOM 0 HG2 GLU A 208 1.837 32.221 1.944 1.00 0.00 H new ATOM 0 HG3 GLU A 208 1.873 32.945 0.348 1.00 0.00 H new ATOM 327 N MET A 209 4.499 32.014 4.667 1.00 0.00 N ATOM 328 CA MET A 209 4.204 31.323 5.920 1.00 0.00 C ATOM 329 C MET A 209 3.821 32.255 7.063 1.00 0.00 C ATOM 330 O MET A 209 4.391 33.335 7.227 1.00 0.00 O ATOM 331 CB MET A 209 5.428 30.491 6.387 1.00 0.00 C ATOM 332 CG MET A 209 6.437 30.012 5.324 1.00 0.00 C ATOM 333 SD MET A 209 7.511 28.590 5.723 1.00 0.00 S ATOM 334 CE MET A 209 7.513 28.500 7.537 1.00 0.00 C ATOM 0 H MET A 209 5.021 32.883 4.780 1.00 0.00 H new ATOM 0 HA MET A 209 3.347 30.687 5.696 1.00 0.00 H new ATOM 0 HB2 MET A 209 5.974 31.086 7.119 1.00 0.00 H new ATOM 0 HB3 MET A 209 5.052 29.611 6.908 1.00 0.00 H new ATOM 0 HG2 MET A 209 5.876 29.762 4.423 1.00 0.00 H new ATOM 0 HG3 MET A 209 7.082 30.855 5.075 1.00 0.00 H new ATOM 0 HE1 MET A 209 8.317 27.843 7.868 1.00 0.00 H new ATOM 0 HE2 MET A 209 7.666 29.497 7.951 1.00 0.00 H new ATOM 0 HE3 MET A 209 6.557 28.106 7.883 1.00 0.00 H new ATOM 344 N ILE A 210 2.921 31.741 7.909 1.00 0.00 N ATOM 345 CA ILE A 210 2.519 32.332 9.183 1.00 0.00 C ATOM 346 C ILE A 210 2.468 31.250 10.263 1.00 0.00 C ATOM 347 O ILE A 210 2.188 30.090 9.975 1.00 0.00 O ATOM 348 CB ILE A 210 1.174 33.070 9.026 1.00 0.00 C ATOM 349 CG1 ILE A 210 0.863 33.907 10.281 1.00 0.00 C ATOM 350 CG2 ILE A 210 0.013 32.124 8.647 1.00 0.00 C ATOM 351 CD1 ILE A 210 -0.263 34.912 10.049 1.00 0.00 C ATOM 0 H ILE A 210 2.435 30.866 7.713 1.00 0.00 H new ATOM 0 HA ILE A 210 3.255 33.072 9.496 1.00 0.00 H new ATOM 0 HB ILE A 210 1.276 33.756 8.185 1.00 0.00 H new ATOM 0 HG12 ILE A 210 0.588 33.241 11.099 1.00 0.00 H new ATOM 0 HG13 ILE A 210 1.762 34.439 10.591 1.00 0.00 H new ATOM 0 HG21 ILE A 210 -0.908 32.699 8.550 1.00 0.00 H new ATOM 0 HG22 ILE A 210 0.237 31.635 7.699 1.00 0.00 H new ATOM 0 HG23 ILE A 210 -0.110 31.370 9.424 1.00 0.00 H new ATOM 0 HD11 ILE A 210 -0.442 35.476 10.965 1.00 0.00 H new ATOM 0 HD12 ILE A 210 0.020 35.598 9.250 1.00 0.00 H new ATOM 0 HD13 ILE A 210 -1.172 34.381 9.766 1.00 0.00 H new ATOM 363 N GLY A 211 2.728 31.651 11.510 1.00 0.00 N ATOM 364 CA GLY A 211 2.877 30.758 12.650 1.00 0.00 C ATOM 365 C GLY A 211 1.976 31.156 13.816 1.00 0.00 C ATOM 366 O GLY A 211 1.809 32.338 14.114 1.00 0.00 O ATOM 0 H GLY A 211 2.843 32.634 11.756 1.00 0.00 H new ATOM 0 HA2 GLY A 211 2.643 29.738 12.344 1.00 0.00 H new ATOM 0 HA3 GLY A 211 3.916 30.761 12.979 1.00 0.00 H new ATOM 370 N CYS A 212 1.384 30.133 14.445 1.00 0.00 N ATOM 371 CA CYS A 212 0.308 30.260 15.426 1.00 0.00 C ATOM 372 C CYS A 212 0.854 30.729 16.770 1.00 0.00 C ATOM 373 O CYS A 212 1.727 30.088 17.354 1.00 0.00 O ATOM 374 CB CYS A 212 -0.492 28.949 15.536 1.00 0.00 C ATOM 375 SG CYS A 212 -0.689 28.086 14.002 1.00 0.00 S ATOM 0 H CYS A 212 1.652 29.163 14.277 1.00 0.00 H new ATOM 0 HA CYS A 212 -0.389 31.025 15.084 1.00 0.00 H new ATOM 0 HB2 CYS A 212 0.006 28.291 16.248 1.00 0.00 H new ATOM 0 HB3 CYS A 212 -1.478 29.172 15.944 1.00 0.00 H new ATOM 0 HG CYS A 212 -1.210 28.885 13.119 1.00 0.00 H new ATOM 380 N ASP A 213 0.300 31.850 17.247 1.00 0.00 N ATOM 381 CA ASP A 213 0.700 32.553 18.463 1.00 0.00 C ATOM 382 C ASP A 213 0.286 31.808 19.754 1.00 0.00 C ATOM 383 O ASP A 213 0.481 32.323 20.854 1.00 0.00 O ATOM 384 CB ASP A 213 0.124 33.976 18.389 1.00 0.00 C ATOM 385 CG ASP A 213 0.740 34.932 19.412 1.00 0.00 C ATOM 386 OD1 ASP A 213 1.902 35.333 19.184 1.00 0.00 O ATOM 387 OD2 ASP A 213 0.030 35.277 20.381 1.00 0.00 O ATOM 0 H ASP A 213 -0.476 32.310 16.770 1.00 0.00 H new ATOM 0 HA ASP A 213 1.788 32.597 18.518 1.00 0.00 H new ATOM 0 HB2 ASP A 213 0.285 34.374 17.387 1.00 0.00 H new ATOM 0 HB3 ASP A 213 -0.954 33.933 18.545 1.00 0.00 H new ATOM 392 N ASN A 214 -0.291 30.601 19.637 1.00 0.00 N ATOM 393 CA ASN A 214 -0.737 29.794 20.764 1.00 0.00 C ATOM 394 C ASN A 214 0.452 29.280 21.594 1.00 0.00 C ATOM 395 O ASN A 214 1.489 28.946 21.019 1.00 0.00 O ATOM 396 CB ASN A 214 -1.429 28.521 20.260 1.00 0.00 C ATOM 397 CG ASN A 214 -2.671 28.679 19.391 1.00 0.00 C ATOM 398 OD1 ASN A 214 -2.671 29.338 18.351 1.00 0.00 O ATOM 399 ND2 ASN A 214 -3.708 27.920 19.727 1.00 0.00 N ATOM 0 H ASN A 214 -0.460 30.158 18.734 1.00 0.00 H new ATOM 0 HA ASN A 214 -1.395 30.433 21.354 1.00 0.00 H new ATOM 0 HB2 ASN A 214 -0.697 27.944 19.695 1.00 0.00 H new ATOM 0 HB3 ASN A 214 -1.703 27.923 21.129 1.00 0.00 H new ATOM 0 HD21 ASN A 214 -4.525 27.875 19.119 1.00 0.00 H new ATOM 0 HD22 ASN A 214 -3.687 27.382 20.593 1.00 0.00 H new ATOM 406 N PRO A 215 0.277 29.092 22.915 1.00 0.00 N ATOM 407 CA PRO A 215 1.217 28.350 23.747 1.00 0.00 C ATOM 408 C PRO A 215 0.992 26.821 23.647 1.00 0.00 C ATOM 409 O PRO A 215 1.706 26.073 24.313 1.00 0.00 O ATOM 410 CB PRO A 215 0.962 28.872 25.165 1.00 0.00 C ATOM 411 CG PRO A 215 -0.534 29.179 25.162 1.00 0.00 C ATOM 412 CD PRO A 215 -0.811 29.624 23.726 1.00 0.00 C ATOM 0 HA PRO A 215 2.250 28.499 23.433 1.00 0.00 H new ATOM 0 HB2 PRO A 215 1.219 28.129 25.920 1.00 0.00 H new ATOM 0 HB3 PRO A 215 1.555 29.761 25.379 1.00 0.00 H new ATOM 0 HG2 PRO A 215 -1.123 28.302 25.430 1.00 0.00 H new ATOM 0 HG3 PRO A 215 -0.783 29.961 25.879 1.00 0.00 H new ATOM 0 HD2 PRO A 215 -1.774 29.246 23.381 1.00 0.00 H new ATOM 0 HD3 PRO A 215 -0.852 30.711 23.657 1.00 0.00 H new ATOM 420 N ASP A 216 0.021 26.358 22.831 1.00 0.00 N ATOM 421 CA ASP A 216 -0.459 24.970 22.796 1.00 0.00 C ATOM 422 C ASP A 216 -0.646 24.383 21.383 1.00 0.00 C ATOM 423 O ASP A 216 -0.925 23.188 21.275 1.00 0.00 O ATOM 424 CB ASP A 216 -1.808 24.876 23.536 1.00 0.00 C ATOM 425 CG ASP A 216 -1.777 25.372 24.982 1.00 0.00 C ATOM 426 OD1 ASP A 216 -0.934 24.864 25.752 1.00 0.00 O ATOM 427 OD2 ASP A 216 -2.623 26.238 25.297 1.00 0.00 O ATOM 0 H ASP A 216 -0.460 26.960 22.163 1.00 0.00 H new ATOM 0 HA ASP A 216 0.323 24.383 23.278 1.00 0.00 H new ATOM 0 HB2 ASP A 216 -2.551 25.452 22.984 1.00 0.00 H new ATOM 0 HB3 ASP A 216 -2.140 23.838 23.529 1.00 0.00 H new ATOM 432 N CYS A 217 -0.526 25.179 20.307 1.00 0.00 N ATOM 433 CA CYS A 217 -0.720 24.708 18.939 1.00 0.00 C ATOM 434 C CYS A 217 0.326 23.655 18.573 1.00 0.00 C ATOM 435 O CYS A 217 1.518 23.816 18.829 1.00 0.00 O ATOM 436 CB CYS A 217 -0.746 25.878 17.951 1.00 0.00 C ATOM 437 SG CYS A 217 -1.213 25.313 16.292 1.00 0.00 S ATOM 0 H CYS A 217 -0.291 26.170 20.370 1.00 0.00 H new ATOM 0 HA CYS A 217 -1.694 24.224 18.875 1.00 0.00 H new ATOM 0 HB2 CYS A 217 -1.452 26.634 18.294 1.00 0.00 H new ATOM 0 HB3 CYS A 217 0.235 26.351 17.916 1.00 0.00 H new ATOM 0 HG CYS A 217 -1.042 26.280 15.440 1.00 0.00 H new ATOM 443 N SER A 218 -0.175 22.585 17.952 1.00 0.00 N ATOM 444 CA SER A 218 0.565 21.368 17.616 1.00 0.00 C ATOM 445 C SER A 218 0.828 21.261 16.104 1.00 0.00 C ATOM 446 O SER A 218 1.309 20.230 15.634 1.00 0.00 O ATOM 447 CB SER A 218 -0.212 20.163 18.163 1.00 0.00 C ATOM 448 OG SER A 218 0.572 18.990 18.112 1.00 0.00 O ATOM 0 H SER A 218 -1.150 22.542 17.657 1.00 0.00 H new ATOM 0 HA SER A 218 1.550 21.395 18.081 1.00 0.00 H new ATOM 0 HB2 SER A 218 -0.515 20.358 19.192 1.00 0.00 H new ATOM 0 HB3 SER A 218 -1.124 20.021 17.584 1.00 0.00 H new ATOM 0 HG SER A 218 1.173 19.031 17.339 1.00 0.00 H new ATOM 454 N ILE A 219 0.534 22.337 15.358 1.00 0.00 N ATOM 455 CA ILE A 219 0.829 22.487 13.934 1.00 0.00 C ATOM 456 C ILE A 219 1.778 23.686 13.748 1.00 0.00 C ATOM 457 O ILE A 219 2.752 23.555 13.012 1.00 0.00 O ATOM 458 CB ILE A 219 -0.482 22.613 13.118 1.00 0.00 C ATOM 459 CG1 ILE A 219 -1.485 21.453 13.335 1.00 0.00 C ATOM 460 CG2 ILE A 219 -0.204 22.782 11.611 1.00 0.00 C ATOM 461 CD1 ILE A 219 -1.020 20.065 12.871 1.00 0.00 C ATOM 0 H ILE A 219 0.067 23.155 15.750 1.00 0.00 H new ATOM 0 HA ILE A 219 1.335 21.600 13.552 1.00 0.00 H new ATOM 0 HB ILE A 219 -0.956 23.514 13.507 1.00 0.00 H new ATOM 0 HG12 ILE A 219 -1.722 21.398 14.397 1.00 0.00 H new ATOM 0 HG13 ILE A 219 -2.411 21.697 12.814 1.00 0.00 H new ATOM 0 HG21 ILE A 219 -1.149 22.867 11.074 1.00 0.00 H new ATOM 0 HG22 ILE A 219 0.388 23.683 11.449 1.00 0.00 H new ATOM 0 HG23 ILE A 219 0.346 21.916 11.243 1.00 0.00 H new ATOM 0 HD11 ILE A 219 -1.802 19.333 13.073 1.00 0.00 H new ATOM 0 HD12 ILE A 219 -0.813 20.089 11.801 1.00 0.00 H new ATOM 0 HD13 ILE A 219 -0.114 19.786 13.409 1.00 0.00 H new ATOM 473 N GLU A 220 1.521 24.783 14.489 1.00 0.00 N ATOM 474 CA GLU A 220 2.293 26.022 14.703 1.00 0.00 C ATOM 475 C GLU A 220 2.878 26.777 13.489 1.00 0.00 C ATOM 476 O GLU A 220 3.326 27.904 13.676 1.00 0.00 O ATOM 477 CB GLU A 220 3.363 25.803 15.791 1.00 0.00 C ATOM 478 CG GLU A 220 4.520 24.890 15.352 1.00 0.00 C ATOM 479 CD GLU A 220 5.712 24.999 16.301 1.00 0.00 C ATOM 480 OE1 GLU A 220 5.630 24.401 17.396 1.00 0.00 O ATOM 481 OE2 GLU A 220 6.688 25.679 15.913 1.00 0.00 O ATOM 0 H GLU A 220 0.652 24.824 15.021 1.00 0.00 H new ATOM 0 HA GLU A 220 1.517 26.718 15.021 1.00 0.00 H new ATOM 0 HB2 GLU A 220 3.769 26.770 16.088 1.00 0.00 H new ATOM 0 HB3 GLU A 220 2.888 25.373 16.673 1.00 0.00 H new ATOM 0 HG2 GLU A 220 4.176 23.856 15.316 1.00 0.00 H new ATOM 0 HG3 GLU A 220 4.832 25.157 14.342 1.00 0.00 H new ATOM 488 N TRP A 221 2.848 26.225 12.270 1.00 0.00 N ATOM 489 CA TRP A 221 3.169 26.875 11.012 1.00 0.00 C ATOM 490 C TRP A 221 2.184 26.425 9.945 1.00 0.00 C ATOM 491 O TRP A 221 1.851 25.248 9.844 1.00 0.00 O ATOM 492 CB TRP A 221 4.550 26.459 10.553 1.00 0.00 C ATOM 493 CG TRP A 221 5.681 27.206 11.146 1.00 0.00 C ATOM 494 CD1 TRP A 221 6.564 26.725 12.043 1.00 0.00 C ATOM 495 CD2 TRP A 221 6.085 28.575 10.861 1.00 0.00 C ATOM 496 NE1 TRP A 221 7.521 27.680 12.293 1.00 0.00 N ATOM 497 CE2 TRP A 221 7.304 28.825 11.550 1.00 0.00 C ATOM 498 CE3 TRP A 221 5.561 29.617 10.064 1.00 0.00 C ATOM 499 CZ2 TRP A 221 8.007 30.026 11.387 1.00 0.00 C ATOM 500 CZ3 TRP A 221 6.225 30.853 9.956 1.00 0.00 C ATOM 501 CH2 TRP A 221 7.459 31.050 10.598 1.00 0.00 C ATOM 0 H TRP A 221 2.581 25.250 12.137 1.00 0.00 H new ATOM 0 HA TRP A 221 3.123 27.954 11.159 1.00 0.00 H new ATOM 0 HB2 TRP A 221 4.682 25.400 10.776 1.00 0.00 H new ATOM 0 HB3 TRP A 221 4.599 26.565 9.469 1.00 0.00 H new ATOM 0 HD1 TRP A 221 6.526 25.744 12.494 1.00 0.00 H new ATOM 0 HE1 TRP A 221 8.295 27.559 12.946 1.00 0.00 H new ATOM 0 HE3 TRP A 221 4.636 29.463 9.529 1.00 0.00 H new ATOM 0 HZ2 TRP A 221 8.965 30.163 11.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 221 5.785 31.652 9.378 1.00 0.00 H new ATOM 0 HH2 TRP A 221 7.985 31.987 10.485 1.00 0.00 H new ATOM 512 N PHE A 222 1.723 27.403 9.167 1.00 0.00 N ATOM 513 CA PHE A 222 0.617 27.288 8.226 1.00 0.00 C ATOM 514 C PHE A 222 0.915 28.133 6.994 1.00 0.00 C ATOM 515 O PHE A 222 1.627 29.137 7.063 1.00 0.00 O ATOM 516 CB PHE A 222 -0.709 27.795 8.840 1.00 0.00 C ATOM 517 CG PHE A 222 -1.338 26.936 9.925 1.00 0.00 C ATOM 518 CD1 PHE A 222 -0.628 26.684 11.106 1.00 0.00 C ATOM 519 CD2 PHE A 222 -2.657 26.447 9.808 1.00 0.00 C ATOM 520 CE1 PHE A 222 -1.166 25.880 12.107 1.00 0.00 C ATOM 521 CE2 PHE A 222 -3.252 25.763 10.888 1.00 0.00 C ATOM 522 CZ PHE A 222 -2.504 25.507 12.052 1.00 0.00 C ATOM 0 H PHE A 222 2.131 28.338 9.178 1.00 0.00 H new ATOM 0 HA PHE A 222 0.510 26.234 7.969 1.00 0.00 H new ATOM 0 HB2 PHE A 222 -0.533 28.788 9.253 1.00 0.00 H new ATOM 0 HB3 PHE A 222 -1.434 27.908 8.034 1.00 0.00 H new ATOM 0 HD1 PHE A 222 0.351 27.120 11.242 1.00 0.00 H new ATOM 0 HD2 PHE A 222 -3.210 26.597 8.892 1.00 0.00 H new ATOM 0 HE1 PHE A 222 -0.545 25.547 12.925 1.00 0.00 H new ATOM 0 HE2 PHE A 222 -4.279 25.436 10.822 1.00 0.00 H new ATOM 0 HZ PHE A 222 -2.967 25.023 12.899 1.00 0.00 H new ATOM 532 N HIS A 223 0.303 27.747 5.872 1.00 0.00 N ATOM 533 CA HIS A 223 0.299 28.577 4.678 1.00 0.00 C ATOM 534 C HIS A 223 -0.636 29.757 4.907 1.00 0.00 C ATOM 535 O HIS A 223 -1.648 29.638 5.602 1.00 0.00 O ATOM 536 CB HIS A 223 -0.140 27.784 3.433 1.00 0.00 C ATOM 537 CG HIS A 223 0.713 26.600 3.031 1.00 0.00 C ATOM 538 ND1 HIS A 223 0.630 25.942 1.802 1.00 0.00 N ATOM 539 CD2 HIS A 223 1.744 26.052 3.738 1.00 0.00 C ATOM 540 CE1 HIS A 223 1.680 25.109 1.753 1.00 0.00 C ATOM 541 NE2 HIS A 223 2.354 25.140 2.914 1.00 0.00 N ATOM 0 H HIS A 223 -0.195 26.863 5.771 1.00 0.00 H new ATOM 0 HA HIS A 223 1.314 28.929 4.493 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -1.156 27.427 3.601 1.00 0.00 H new ATOM 0 HB3 HIS A 223 -0.180 28.474 2.590 1.00 0.00 H new ATOM 0 HD2 HIS A 223 2.026 26.291 4.753 1.00 0.00 H new ATOM 0 HE1 HIS A 223 1.946 24.500 0.901 1.00 0.00 H new ATOM 0 HE2 HIS A 223 3.177 24.582 3.144 1.00 0.00 H new ATOM 549 N PHE A 224 -0.300 30.886 4.277 1.00 0.00 N ATOM 550 CA PHE A 224 -1.221 32.018 4.178 1.00 0.00 C ATOM 551 C PHE A 224 -2.564 31.549 3.631 1.00 0.00 C ATOM 552 O PHE A 224 -3.592 31.781 4.252 1.00 0.00 O ATOM 553 CB PHE A 224 -0.657 33.121 3.266 1.00 0.00 C ATOM 554 CG PHE A 224 0.491 33.974 3.770 1.00 0.00 C ATOM 555 CD1 PHE A 224 0.954 33.914 5.100 1.00 0.00 C ATOM 556 CD2 PHE A 224 1.107 34.858 2.862 1.00 0.00 C ATOM 557 CE1 PHE A 224 2.070 34.675 5.484 1.00 0.00 C ATOM 558 CE2 PHE A 224 2.235 35.600 3.245 1.00 0.00 C ATOM 559 CZ PHE A 224 2.745 35.465 4.544 1.00 0.00 C ATOM 0 H PHE A 224 0.603 31.039 3.828 1.00 0.00 H new ATOM 0 HA PHE A 224 -1.351 32.431 5.178 1.00 0.00 H new ATOM 0 HB2 PHE A 224 -0.334 32.648 2.339 1.00 0.00 H new ATOM 0 HB3 PHE A 224 -1.479 33.791 3.013 1.00 0.00 H new ATOM 0 HD1 PHE A 224 0.452 33.285 5.821 1.00 0.00 H new ATOM 0 HD2 PHE A 224 0.708 34.965 1.864 1.00 0.00 H new ATOM 0 HE1 PHE A 224 2.410 34.651 6.509 1.00 0.00 H new ATOM 0 HE2 PHE A 224 2.707 36.271 2.543 1.00 0.00 H new ATOM 0 HZ PHE A 224 3.659 35.970 4.820 1.00 0.00 H new ATOM 569 N ALA A 225 -2.544 30.821 2.517 1.00 0.00 N ATOM 570 CA ALA A 225 -3.742 30.345 1.853 1.00 0.00 C ATOM 571 C ALA A 225 -4.466 29.228 2.622 1.00 0.00 C ATOM 572 O ALA A 225 -5.629 28.967 2.313 1.00 0.00 O ATOM 573 CB ALA A 225 -3.378 29.887 0.437 1.00 0.00 C ATOM 0 H ALA A 225 -1.681 30.545 2.049 1.00 0.00 H new ATOM 0 HA ALA A 225 -4.448 31.175 1.813 1.00 0.00 H new ATOM 0 HB1 ALA A 225 -4.273 29.527 -0.070 1.00 0.00 H new ATOM 0 HB2 ALA A 225 -2.957 30.725 -0.119 1.00 0.00 H new ATOM 0 HB3 ALA A 225 -2.644 29.083 0.492 1.00 0.00 H new ATOM 579 N CYS A 226 -3.838 28.595 3.633 1.00 0.00 N ATOM 580 CA CYS A 226 -4.491 27.643 4.506 1.00 0.00 C ATOM 581 C CYS A 226 -5.356 28.324 5.587 1.00 0.00 C ATOM 582 O CYS A 226 -6.025 27.623 6.345 1.00 0.00 O ATOM 583 CB CYS A 226 -3.393 26.773 5.104 1.00 0.00 C ATOM 584 SG CYS A 226 -2.988 25.413 3.965 1.00 0.00 S ATOM 0 H CYS A 226 -2.854 28.743 3.855 1.00 0.00 H new ATOM 0 HA CYS A 226 -5.196 27.034 3.941 1.00 0.00 H new ATOM 0 HB2 CYS A 226 -2.505 27.375 5.296 1.00 0.00 H new ATOM 0 HB3 CYS A 226 -3.718 26.370 6.063 1.00 0.00 H new ATOM 0 HG CYS A 226 -1.699 25.254 3.921 1.00 0.00 H new ATOM 590 N VAL A 227 -5.378 29.667 5.628 1.00 0.00 N ATOM 591 CA VAL A 227 -6.298 30.486 6.421 1.00 0.00 C ATOM 592 C VAL A 227 -7.010 31.559 5.581 1.00 0.00 C ATOM 593 O VAL A 227 -8.001 32.138 6.025 1.00 0.00 O ATOM 594 CB VAL A 227 -5.560 31.068 7.645 1.00 0.00 C ATOM 595 CG1 VAL A 227 -4.605 32.226 7.323 1.00 0.00 C ATOM 596 CG2 VAL A 227 -6.538 31.499 8.751 1.00 0.00 C ATOM 0 H VAL A 227 -4.725 30.232 5.084 1.00 0.00 H new ATOM 0 HA VAL A 227 -7.099 29.844 6.788 1.00 0.00 H new ATOM 0 HB VAL A 227 -4.943 30.243 8.001 1.00 0.00 H new ATOM 0 HG11 VAL A 227 -4.131 32.572 8.241 1.00 0.00 H new ATOM 0 HG12 VAL A 227 -3.840 31.884 6.626 1.00 0.00 H new ATOM 0 HG13 VAL A 227 -5.165 33.045 6.873 1.00 0.00 H new ATOM 0 HG21 VAL A 227 -5.978 31.903 9.595 1.00 0.00 H new ATOM 0 HG22 VAL A 227 -7.212 32.263 8.363 1.00 0.00 H new ATOM 0 HG23 VAL A 227 -7.118 30.637 9.080 1.00 0.00 H new ATOM 606 N GLY A 228 -6.513 31.793 4.363 1.00 0.00 N ATOM 607 CA GLY A 228 -7.054 32.735 3.391 1.00 0.00 C ATOM 608 C GLY A 228 -6.307 34.073 3.354 1.00 0.00 C ATOM 609 O GLY A 228 -6.857 35.041 2.831 1.00 0.00 O ATOM 0 H GLY A 228 -5.686 31.307 4.017 1.00 0.00 H new ATOM 0 HA2 GLY A 228 -7.020 32.282 2.400 1.00 0.00 H new ATOM 0 HA3 GLY A 228 -8.103 32.920 3.621 1.00 0.00 H new ATOM 613 N LEU A 229 -5.088 34.150 3.916 1.00 0.00 N ATOM 614 CA LEU A 229 -4.267 35.355 3.898 1.00 0.00 C ATOM 615 C LEU A 229 -3.653 35.598 2.512 1.00 0.00 C ATOM 616 O LEU A 229 -3.573 34.698 1.674 1.00 0.00 O ATOM 617 CB LEU A 229 -3.174 35.280 4.985 1.00 0.00 C ATOM 618 CG LEU A 229 -3.642 35.729 6.383 1.00 0.00 C ATOM 619 CD1 LEU A 229 -2.575 35.350 7.418 1.00 0.00 C ATOM 620 CD2 LEU A 229 -3.888 37.244 6.463 1.00 0.00 C ATOM 0 H LEU A 229 -4.649 33.366 4.398 1.00 0.00 H new ATOM 0 HA LEU A 229 -4.913 36.205 4.119 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -2.810 34.255 5.048 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -2.331 35.900 4.680 1.00 0.00 H new ATOM 0 HG LEU A 229 -4.587 35.225 6.586 1.00 0.00 H new ATOM 0 HD11 LEU A 229 -2.901 35.666 8.409 1.00 0.00 H new ATOM 0 HD12 LEU A 229 -2.429 34.270 7.411 1.00 0.00 H new ATOM 0 HD13 LEU A 229 -1.636 35.845 7.170 1.00 0.00 H new ATOM 0 HD21 LEU A 229 -4.216 37.507 7.469 1.00 0.00 H new ATOM 0 HD22 LEU A 229 -2.965 37.775 6.232 1.00 0.00 H new ATOM 0 HD23 LEU A 229 -4.658 37.526 5.745 1.00 0.00 H new ATOM 632 N THR A 230 -3.188 36.839 2.311 1.00 0.00 N ATOM 633 CA THR A 230 -2.577 37.331 1.072 1.00 0.00 C ATOM 634 C THR A 230 -1.321 38.174 1.365 1.00 0.00 C ATOM 635 O THR A 230 -0.452 38.284 0.502 1.00 0.00 O ATOM 636 CB THR A 230 -3.626 38.144 0.280 1.00 0.00 C ATOM 637 OG1 THR A 230 -4.794 37.376 0.068 1.00 0.00 O ATOM 638 CG2 THR A 230 -3.131 38.618 -1.092 1.00 0.00 C ATOM 0 H THR A 230 -3.230 37.554 3.037 1.00 0.00 H new ATOM 0 HA THR A 230 -2.254 36.481 0.470 1.00 0.00 H new ATOM 0 HB THR A 230 -3.828 39.021 0.894 1.00 0.00 H new ATOM 0 HG1 THR A 230 -5.448 37.907 -0.433 1.00 0.00 H new ATOM 0 HG21 THR A 230 -3.921 39.181 -1.589 1.00 0.00 H new ATOM 0 HG22 THR A 230 -2.257 39.256 -0.963 1.00 0.00 H new ATOM 0 HG23 THR A 230 -2.863 37.754 -1.701 1.00 0.00 H new ATOM 646 N THR A 231 -1.199 38.720 2.586 1.00 0.00 N ATOM 647 CA THR A 231 -0.090 39.560 3.039 1.00 0.00 C ATOM 648 C THR A 231 0.226 39.186 4.491 1.00 0.00 C ATOM 649 O THR A 231 -0.683 38.905 5.273 1.00 0.00 O ATOM 650 CB THR A 231 -0.484 41.048 2.923 1.00 0.00 C ATOM 651 OG1 THR A 231 -0.807 41.369 1.585 1.00 0.00 O ATOM 652 CG2 THR A 231 0.631 42.000 3.373 1.00 0.00 C ATOM 0 H THR A 231 -1.903 38.579 3.311 1.00 0.00 H new ATOM 0 HA THR A 231 0.794 39.400 2.422 1.00 0.00 H new ATOM 0 HB THR A 231 -1.343 41.180 3.581 1.00 0.00 H new ATOM 0 HG1 THR A 231 -1.056 42.315 1.527 1.00 0.00 H new ATOM 0 HG21 THR A 231 0.294 43.031 3.268 1.00 0.00 H new ATOM 0 HG22 THR A 231 0.878 41.804 4.416 1.00 0.00 H new ATOM 0 HG23 THR A 231 1.515 41.843 2.755 1.00 0.00 H new ATOM 660 N LYS A 232 1.520 39.193 4.843 1.00 0.00 N ATOM 661 CA LYS A 232 2.005 38.838 6.173 1.00 0.00 C ATOM 662 C LYS A 232 1.574 39.901 7.206 1.00 0.00 C ATOM 663 O LYS A 232 1.960 41.062 7.056 1.00 0.00 O ATOM 664 CB LYS A 232 3.537 38.702 6.124 1.00 0.00 C ATOM 665 CG LYS A 232 4.075 37.943 7.346 1.00 0.00 C ATOM 666 CD LYS A 232 5.602 37.800 7.271 1.00 0.00 C ATOM 667 CE LYS A 232 6.171 37.072 8.493 1.00 0.00 C ATOM 668 NZ LYS A 232 5.796 35.646 8.520 1.00 0.00 N ATOM 0 H LYS A 232 2.266 39.450 4.197 1.00 0.00 H new ATOM 0 HA LYS A 232 1.572 37.887 6.482 1.00 0.00 H new ATOM 0 HB2 LYS A 232 3.828 38.179 5.213 1.00 0.00 H new ATOM 0 HB3 LYS A 232 3.990 39.693 6.081 1.00 0.00 H new ATOM 0 HG2 LYS A 232 3.799 38.472 8.258 1.00 0.00 H new ATOM 0 HG3 LYS A 232 3.615 36.956 7.398 1.00 0.00 H new ATOM 0 HD2 LYS A 232 5.871 37.255 6.366 1.00 0.00 H new ATOM 0 HD3 LYS A 232 6.055 38.788 7.194 1.00 0.00 H new ATOM 0 HE2 LYS A 232 7.257 37.160 8.492 1.00 0.00 H new ATOM 0 HE3 LYS A 232 5.813 37.557 9.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 5.199 35.460 9.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 5.270 35.409 7.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 6.655 35.062 8.573 1.00 0.00 H new ATOM 682 N PRO A 233 0.809 39.540 8.257 1.00 0.00 N ATOM 683 CA PRO A 233 0.461 40.439 9.356 1.00 0.00 C ATOM 684 C PRO A 233 1.623 40.564 10.361 1.00 0.00 C ATOM 685 O PRO A 233 2.709 40.018 10.151 1.00 0.00 O ATOM 686 CB PRO A 233 -0.785 39.801 9.983 1.00 0.00 C ATOM 687 CG PRO A 233 -0.502 38.311 9.836 1.00 0.00 C ATOM 688 CD PRO A 233 0.217 38.229 8.489 1.00 0.00 C ATOM 0 HA PRO A 233 0.268 41.459 9.024 1.00 0.00 H new ATOM 0 HB2 PRO A 233 -0.907 40.090 11.027 1.00 0.00 H new ATOM 0 HB3 PRO A 233 -1.697 40.094 9.462 1.00 0.00 H new ATOM 0 HG2 PRO A 233 0.120 37.936 10.649 1.00 0.00 H new ATOM 0 HG3 PRO A 233 -1.420 37.723 9.840 1.00 0.00 H new ATOM 0 HD2 PRO A 233 0.984 37.454 8.505 1.00 0.00 H new ATOM 0 HD3 PRO A 233 -0.480 37.971 7.692 1.00 0.00 H new ATOM 696 N ARG A 234 1.380 41.268 11.476 1.00 0.00 N ATOM 697 CA ARG A 234 2.311 41.406 12.584 1.00 0.00 C ATOM 698 C ARG A 234 1.512 41.428 13.887 1.00 0.00 C ATOM 699 O ARG A 234 0.498 42.119 13.998 1.00 0.00 O ATOM 700 CB ARG A 234 3.134 42.695 12.411 1.00 0.00 C ATOM 701 CG ARG A 234 4.585 42.557 12.893 1.00 0.00 C ATOM 702 CD ARG A 234 5.417 41.700 11.930 1.00 0.00 C ATOM 703 NE ARG A 234 6.833 41.668 12.326 1.00 0.00 N ATOM 704 CZ ARG A 234 7.853 41.290 11.540 1.00 0.00 C ATOM 705 NH1 ARG A 234 7.658 40.884 10.282 1.00 0.00 N ATOM 706 NH2 ARG A 234 9.096 41.320 12.021 1.00 0.00 N ATOM 0 H ARG A 234 0.504 41.767 11.627 1.00 0.00 H new ATOM 0 HA ARG A 234 3.007 40.568 12.609 1.00 0.00 H new ATOM 0 HB2 ARG A 234 3.133 42.980 11.359 1.00 0.00 H new ATOM 0 HB3 ARG A 234 2.651 43.503 12.961 1.00 0.00 H new ATOM 0 HG2 ARG A 234 5.035 43.546 12.984 1.00 0.00 H new ATOM 0 HG3 ARG A 234 4.599 42.108 13.886 1.00 0.00 H new ATOM 0 HD2 ARG A 234 5.021 40.685 11.909 1.00 0.00 H new ATOM 0 HD3 ARG A 234 5.329 42.097 10.919 1.00 0.00 H new ATOM 0 HE ARG A 234 7.059 41.957 13.278 1.00 0.00 H new ATOM 0 HH11 ARG A 234 6.714 40.856 9.896 1.00 0.00 H new ATOM 0 HH12 ARG A 234 8.453 40.603 9.708 1.00 0.00 H new ATOM 0 HH21 ARG A 234 9.265 41.628 12.979 1.00 0.00 H new ATOM 0 HH22 ARG A 234 9.878 41.035 11.432 1.00 0.00 H new ATOM 720 N GLY A 235 1.989 40.646 14.857 1.00 0.00 N ATOM 721 CA GLY A 235 1.358 40.441 16.156 1.00 0.00 C ATOM 722 C GLY A 235 0.686 39.068 16.263 1.00 0.00 C ATOM 723 O GLY A 235 0.878 38.197 15.413 1.00 0.00 O ATOM 0 H GLY A 235 2.857 40.120 14.753 1.00 0.00 H new ATOM 0 HA2 GLY A 235 2.107 40.539 16.941 1.00 0.00 H new ATOM 0 HA3 GLY A 235 0.616 41.221 16.325 1.00 0.00 H new ATOM 727 N LYS A 236 -0.105 38.896 17.332 1.00 0.00 N ATOM 728 CA LYS A 236 -0.880 37.701 17.632 1.00 0.00 C ATOM 729 C LYS A 236 -1.828 37.360 16.480 1.00 0.00 C ATOM 730 O LYS A 236 -2.688 38.155 16.101 1.00 0.00 O ATOM 731 CB LYS A 236 -1.624 37.902 18.968 1.00 0.00 C ATOM 732 CG LYS A 236 -2.564 36.740 19.351 1.00 0.00 C ATOM 733 CD LYS A 236 -4.060 36.995 19.086 1.00 0.00 C ATOM 734 CE LYS A 236 -4.781 37.642 20.276 1.00 0.00 C ATOM 735 NZ LYS A 236 -4.304 39.008 20.564 1.00 0.00 N ATOM 0 H LYS A 236 -0.222 39.623 18.038 1.00 0.00 H new ATOM 0 HA LYS A 236 -0.212 36.846 17.741 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -0.890 38.037 19.763 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -2.206 38.822 18.912 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -2.260 35.850 18.800 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -2.431 36.520 20.410 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -4.163 37.639 18.213 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -4.546 36.050 18.845 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -5.851 37.672 20.073 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -4.642 37.020 21.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -4.826 39.394 21.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -3.288 38.981 20.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -4.461 39.613 19.733 1.00 0.00 H new ATOM 749 N TRP A 237 -1.673 36.131 15.986 1.00 0.00 N ATOM 750 CA TRP A 237 -2.539 35.473 15.027 1.00 0.00 C ATOM 751 C TRP A 237 -2.813 34.049 15.505 1.00 0.00 C ATOM 752 O TRP A 237 -1.896 33.321 15.884 1.00 0.00 O ATOM 753 CB TRP A 237 -1.852 35.463 13.661 1.00 0.00 C ATOM 754 CG TRP A 237 -2.503 34.611 12.618 1.00 0.00 C ATOM 755 CD1 TRP A 237 -3.466 34.980 11.755 1.00 0.00 C ATOM 756 CD2 TRP A 237 -2.235 33.215 12.319 1.00 0.00 C ATOM 757 NE1 TRP A 237 -3.842 33.901 10.973 1.00 0.00 N ATOM 758 CE2 TRP A 237 -3.108 32.770 11.285 1.00 0.00 C ATOM 759 CE3 TRP A 237 -1.312 32.291 12.831 1.00 0.00 C ATOM 760 CZ2 TRP A 237 -3.087 31.441 10.817 1.00 0.00 C ATOM 761 CZ3 TRP A 237 -1.285 30.970 12.365 1.00 0.00 C ATOM 762 CH2 TRP A 237 -2.181 30.531 11.394 1.00 0.00 C ATOM 0 H TRP A 237 -0.891 35.539 16.266 1.00 0.00 H new ATOM 0 HA TRP A 237 -3.487 36.004 14.938 1.00 0.00 H new ATOM 0 HB2 TRP A 237 -1.804 36.487 13.291 1.00 0.00 H new ATOM 0 HB3 TRP A 237 -0.825 35.123 13.793 1.00 0.00 H new ATOM 0 HD1 TRP A 237 -3.885 35.973 11.682 1.00 0.00 H new ATOM 0 HE1 TRP A 237 -4.568 33.935 10.257 1.00 0.00 H new ATOM 0 HE3 TRP A 237 -0.614 32.602 13.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 237 -3.755 31.126 10.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 237 -0.557 30.281 12.766 1.00 0.00 H new ATOM 0 HH2 TRP A 237 -2.181 29.496 11.085 1.00 0.00 H new ATOM 773 N PHE A 238 -4.088 33.656 15.448 1.00 0.00 N ATOM 774 CA PHE A 238 -4.565 32.331 15.822 1.00 0.00 C ATOM 775 C PHE A 238 -5.204 31.691 14.589 1.00 0.00 C ATOM 776 O PHE A 238 -6.046 32.284 13.915 1.00 0.00 O ATOM 777 CB PHE A 238 -5.533 32.412 17.019 1.00 0.00 C ATOM 778 CG PHE A 238 -4.893 32.357 18.405 1.00 0.00 C ATOM 779 CD1 PHE A 238 -3.823 33.206 18.753 1.00 0.00 C ATOM 780 CD2 PHE A 238 -5.391 31.461 19.375 1.00 0.00 C ATOM 781 CE1 PHE A 238 -3.242 33.141 20.032 1.00 0.00 C ATOM 782 CE2 PHE A 238 -4.809 31.393 20.653 1.00 0.00 C ATOM 783 CZ PHE A 238 -3.730 32.232 20.981 1.00 0.00 C ATOM 0 H PHE A 238 -4.836 34.273 15.130 1.00 0.00 H new ATOM 0 HA PHE A 238 -3.737 31.704 16.152 1.00 0.00 H new ATOM 0 HB2 PHE A 238 -6.100 33.339 16.939 1.00 0.00 H new ATOM 0 HB3 PHE A 238 -6.248 31.593 16.938 1.00 0.00 H new ATOM 0 HD1 PHE A 238 -3.445 33.914 18.030 1.00 0.00 H new ATOM 0 HD2 PHE A 238 -6.227 30.822 19.133 1.00 0.00 H new ATOM 0 HE1 PHE A 238 -2.418 33.793 20.284 1.00 0.00 H new ATOM 0 HE2 PHE A 238 -5.191 30.695 21.383 1.00 0.00 H new ATOM 0 HZ PHE A 238 -3.279 32.177 21.961 1.00 0.00 H new ATOM 793 N CYS A 239 -4.740 30.469 14.309 1.00 0.00 N ATOM 794 CA CYS A 239 -5.038 29.656 13.135 1.00 0.00 C ATOM 795 C CYS A 239 -6.532 29.280 12.997 1.00 0.00 C ATOM 796 O CYS A 239 -7.311 29.574 13.905 1.00 0.00 O ATOM 797 CB CYS A 239 -4.056 28.479 13.201 1.00 0.00 C ATOM 798 SG CYS A 239 -4.550 27.214 14.398 1.00 0.00 S ATOM 0 H CYS A 239 -4.101 29.992 14.945 1.00 0.00 H new ATOM 0 HA CYS A 239 -4.889 30.210 12.208 1.00 0.00 H new ATOM 0 HB2 CYS A 239 -3.974 28.025 12.213 1.00 0.00 H new ATOM 0 HB3 CYS A 239 -3.066 28.853 13.463 1.00 0.00 H new ATOM 0 HG CYS A 239 -3.961 26.091 14.111 1.00 0.00 H new ATOM 804 N PRO A 240 -6.978 28.659 11.882 1.00 0.00 N ATOM 805 CA PRO A 240 -8.405 28.494 11.615 1.00 0.00 C ATOM 806 C PRO A 240 -9.121 27.529 12.568 1.00 0.00 C ATOM 807 O PRO A 240 -10.315 27.698 12.806 1.00 0.00 O ATOM 808 CB PRO A 240 -8.526 28.051 10.153 1.00 0.00 C ATOM 809 CG PRO A 240 -7.173 27.411 9.860 1.00 0.00 C ATOM 810 CD PRO A 240 -6.203 28.195 10.741 1.00 0.00 C ATOM 0 HA PRO A 240 -8.912 29.442 11.792 1.00 0.00 H new ATOM 0 HB2 PRO A 240 -9.343 27.343 10.015 1.00 0.00 H new ATOM 0 HB3 PRO A 240 -8.721 28.896 9.493 1.00 0.00 H new ATOM 0 HG2 PRO A 240 -7.170 26.349 10.108 1.00 0.00 H new ATOM 0 HG3 PRO A 240 -6.911 27.493 8.805 1.00 0.00 H new ATOM 0 HD2 PRO A 240 -5.374 27.565 11.063 1.00 0.00 H new ATOM 0 HD3 PRO A 240 -5.772 29.034 10.195 1.00 0.00 H new ATOM 818 N ARG A 241 -8.396 26.565 13.153 1.00 0.00 N ATOM 819 CA ARG A 241 -8.894 25.654 14.179 1.00 0.00 C ATOM 820 C ARG A 241 -8.869 26.269 15.591 1.00 0.00 C ATOM 821 O ARG A 241 -9.145 25.565 16.561 1.00 0.00 O ATOM 822 CB ARG A 241 -8.087 24.341 14.120 1.00 0.00 C ATOM 823 CG ARG A 241 -8.249 23.560 12.803 1.00 0.00 C ATOM 824 CD ARG A 241 -9.707 23.152 12.547 1.00 0.00 C ATOM 825 NE ARG A 241 -9.830 22.269 11.379 1.00 0.00 N ATOM 826 CZ ARG A 241 -10.979 21.741 10.931 1.00 0.00 C ATOM 827 NH1 ARG A 241 -12.147 21.991 11.529 1.00 0.00 N ATOM 828 NH2 ARG A 241 -10.961 20.944 9.862 1.00 0.00 N ATOM 0 H ARG A 241 -7.419 26.397 12.914 1.00 0.00 H new ATOM 0 HA ARG A 241 -9.944 25.449 13.970 1.00 0.00 H new ATOM 0 HB2 ARG A 241 -7.031 24.569 14.266 1.00 0.00 H new ATOM 0 HB3 ARG A 241 -8.393 23.702 14.948 1.00 0.00 H new ATOM 0 HG2 ARG A 241 -7.894 24.172 11.974 1.00 0.00 H new ATOM 0 HG3 ARG A 241 -7.623 22.668 12.832 1.00 0.00 H new ATOM 0 HD2 ARG A 241 -10.103 22.647 13.428 1.00 0.00 H new ATOM 0 HD3 ARG A 241 -10.313 24.045 12.393 1.00 0.00 H new ATOM 0 HE ARG A 241 -8.976 22.040 10.870 1.00 0.00 H new ATOM 0 HH11 ARG A 241 -12.181 22.597 12.348 1.00 0.00 H new ATOM 0 HH12 ARG A 241 -13.005 21.576 11.166 1.00 0.00 H new ATOM 0 HH21 ARG A 241 -10.079 20.741 9.392 1.00 0.00 H new ATOM 0 HH22 ARG A 241 -11.830 20.538 9.514 1.00 0.00 H new ATOM 842 N CYS A 242 -8.542 27.566 15.713 1.00 0.00 N ATOM 843 CA CYS A 242 -8.274 28.251 16.964 1.00 0.00 C ATOM 844 C CYS A 242 -8.962 29.617 17.094 1.00 0.00 C ATOM 845 O CYS A 242 -9.024 30.139 18.207 1.00 0.00 O ATOM 846 CB CYS A 242 -6.761 28.450 17.047 1.00 0.00 C ATOM 847 SG CYS A 242 -5.914 26.929 17.550 1.00 0.00 S ATOM 0 H CYS A 242 -8.457 28.180 14.903 1.00 0.00 H new ATOM 0 HA CYS A 242 -8.673 27.638 17.772 1.00 0.00 H new ATOM 0 HB2 CYS A 242 -6.382 28.774 16.078 1.00 0.00 H new ATOM 0 HB3 CYS A 242 -6.537 29.244 17.759 1.00 0.00 H new ATOM 0 HG CYS A 242 -5.159 26.511 16.578 1.00 0.00 H new ATOM 853 N SER A 243 -9.467 30.196 15.995 1.00 0.00 N ATOM 854 CA SER A 243 -10.160 31.485 16.005 1.00 0.00 C ATOM 855 C SER A 243 -11.186 31.619 14.874 1.00 0.00 C ATOM 856 O SER A 243 -12.192 32.303 15.062 1.00 0.00 O ATOM 857 CB SER A 243 -9.120 32.608 15.901 1.00 0.00 C ATOM 858 OG SER A 243 -9.723 33.876 16.050 1.00 0.00 O ATOM 0 H SER A 243 -9.403 29.776 15.068 1.00 0.00 H new ATOM 0 HA SER A 243 -10.715 31.556 16.940 1.00 0.00 H new ATOM 0 HB2 SER A 243 -8.357 32.473 16.667 1.00 0.00 H new ATOM 0 HB3 SER A 243 -8.616 32.553 14.936 1.00 0.00 H new ATOM 0 HG SER A 243 -9.038 34.574 15.981 1.00 0.00 H new ATOM 864 N GLN A 244 -10.949 30.978 13.719 1.00 0.00 N ATOM 865 CA GLN A 244 -11.832 31.084 12.553 1.00 0.00 C ATOM 866 C GLN A 244 -12.992 30.071 12.594 1.00 0.00 C ATOM 867 O GLN A 244 -13.926 30.206 11.804 1.00 0.00 O ATOM 868 CB GLN A 244 -11.003 30.924 11.264 1.00 0.00 C ATOM 869 CG GLN A 244 -11.573 31.631 10.023 1.00 0.00 C ATOM 870 CD GLN A 244 -11.258 33.129 9.998 1.00 0.00 C ATOM 871 OE1 GLN A 244 -11.651 33.876 10.890 1.00 0.00 O ATOM 872 NE2 GLN A 244 -10.536 33.586 8.974 1.00 0.00 N ATOM 0 H GLN A 244 -10.141 30.374 13.570 1.00 0.00 H new ATOM 0 HA GLN A 244 -12.291 32.072 12.571 1.00 0.00 H new ATOM 0 HB2 GLN A 244 -9.998 31.304 11.449 1.00 0.00 H new ATOM 0 HB3 GLN A 244 -10.906 29.861 11.044 1.00 0.00 H new ATOM 0 HG2 GLN A 244 -11.167 31.164 9.126 1.00 0.00 H new ATOM 0 HG3 GLN A 244 -12.654 31.491 9.995 1.00 0.00 H new ATOM 0 HE21 GLN A 244 -10.221 32.945 8.246 1.00 0.00 H new ATOM 0 HE22 GLN A 244 -10.298 34.576 8.919 1.00 0.00 H new ATOM 881 N GLU A 245 -12.949 29.071 13.494 1.00 0.00 N ATOM 882 CA GLU A 245 -13.976 28.034 13.607 1.00 0.00 C ATOM 883 C GLU A 245 -15.315 28.666 14.016 1.00 0.00 C ATOM 884 O GLU A 245 -16.262 28.625 13.233 1.00 0.00 O ATOM 885 CB GLU A 245 -13.486 26.956 14.596 1.00 0.00 C ATOM 886 CG GLU A 245 -14.325 25.665 14.597 1.00 0.00 C ATOM 887 CD GLU A 245 -15.745 25.838 15.145 1.00 0.00 C ATOM 888 OE1 GLU A 245 -15.879 26.371 16.268 1.00 0.00 O ATOM 889 OE2 GLU A 245 -16.689 25.437 14.429 1.00 0.00 O ATOM 0 H GLU A 245 -12.190 28.965 14.167 1.00 0.00 H new ATOM 0 HA GLU A 245 -14.147 27.547 12.647 1.00 0.00 H new ATOM 0 HB2 GLU A 245 -12.453 26.703 14.357 1.00 0.00 H new ATOM 0 HB3 GLU A 245 -13.487 27.376 15.602 1.00 0.00 H new ATOM 0 HG2 GLU A 245 -14.385 25.284 13.578 1.00 0.00 H new ATOM 0 HG3 GLU A 245 -13.809 24.910 15.190 1.00 0.00 H new ATOM 896 N ARG A 246 -15.341 29.303 15.200 1.00 0.00 N ATOM 897 CA ARG A 246 -16.404 30.145 15.759 1.00 0.00 C ATOM 898 C ARG A 246 -17.850 29.674 15.473 1.00 0.00 C ATOM 899 O ARG A 246 -18.718 30.494 15.167 1.00 0.00 O ATOM 900 CB ARG A 246 -16.134 31.604 15.338 1.00 0.00 C ATOM 901 CG ARG A 246 -16.718 32.616 16.342 1.00 0.00 C ATOM 902 CD ARG A 246 -16.652 34.053 15.816 1.00 0.00 C ATOM 903 NE ARG A 246 -17.571 34.254 14.684 1.00 0.00 N ATOM 904 CZ ARG A 246 -17.876 35.431 14.120 1.00 0.00 C ATOM 905 NH1 ARG A 246 -17.347 36.576 14.557 1.00 0.00 N ATOM 906 NH2 ARG A 246 -18.731 35.462 13.098 1.00 0.00 N ATOM 0 H ARG A 246 -14.551 29.234 15.841 1.00 0.00 H new ATOM 0 HA ARG A 246 -16.359 30.058 16.845 1.00 0.00 H new ATOM 0 HB2 ARG A 246 -15.059 31.762 15.249 1.00 0.00 H new ATOM 0 HB3 ARG A 246 -16.565 31.782 14.353 1.00 0.00 H new ATOM 0 HG2 ARG A 246 -17.755 32.356 16.556 1.00 0.00 H new ATOM 0 HG3 ARG A 246 -16.171 32.549 17.283 1.00 0.00 H new ATOM 0 HD2 ARG A 246 -16.903 34.747 16.618 1.00 0.00 H new ATOM 0 HD3 ARG A 246 -15.633 34.281 15.504 1.00 0.00 H new ATOM 0 HE ARG A 246 -18.016 33.423 14.294 1.00 0.00 H new ATOM 0 HH11 ARG A 246 -16.693 36.570 15.339 1.00 0.00 H new ATOM 0 HH12 ARG A 246 -17.597 37.457 14.109 1.00 0.00 H new ATOM 0 HH21 ARG A 246 -19.145 34.596 12.753 1.00 0.00 H new ATOM 0 HH22 ARG A 246 -18.971 36.352 12.661 1.00 0.00 H new ATOM 920 N LYS A 247 -18.113 28.357 15.546 1.00 0.00 N ATOM 921 CA LYS A 247 -19.428 27.775 15.241 1.00 0.00 C ATOM 922 C LYS A 247 -19.753 26.520 16.073 1.00 0.00 C ATOM 923 O LYS A 247 -20.913 26.106 16.102 1.00 0.00 O ATOM 924 CB LYS A 247 -19.499 27.468 13.731 1.00 0.00 C ATOM 925 CG LYS A 247 -20.938 27.503 13.190 1.00 0.00 C ATOM 926 CD LYS A 247 -21.025 27.108 11.707 1.00 0.00 C ATOM 927 CE LYS A 247 -20.637 25.647 11.438 1.00 0.00 C ATOM 928 NZ LYS A 247 -21.543 24.699 12.116 1.00 0.00 N ATOM 0 H LYS A 247 -17.415 27.665 15.820 1.00 0.00 H new ATOM 0 HA LYS A 247 -20.185 28.509 15.516 1.00 0.00 H new ATOM 0 HB2 LYS A 247 -18.892 28.192 13.187 1.00 0.00 H new ATOM 0 HB3 LYS A 247 -19.067 26.485 13.543 1.00 0.00 H new ATOM 0 HG2 LYS A 247 -21.559 26.828 13.778 1.00 0.00 H new ATOM 0 HG3 LYS A 247 -21.346 28.506 13.319 1.00 0.00 H new ATOM 0 HD2 LYS A 247 -22.042 27.276 11.354 1.00 0.00 H new ATOM 0 HD3 LYS A 247 -20.374 27.761 11.126 1.00 0.00 H new ATOM 0 HE2 LYS A 247 -20.654 25.459 10.364 1.00 0.00 H new ATOM 0 HE3 LYS A 247 -19.615 25.476 11.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 247 -21.342 23.732 11.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 247 -21.397 24.754 13.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 247 -22.529 24.942 11.893 1.00 0.00 H new ATOM 942 N LYS A 248 -18.767 25.926 16.762 1.00 0.00 N ATOM 943 CA LYS A 248 -18.937 24.729 17.590 1.00 0.00 C ATOM 944 C LYS A 248 -17.993 24.754 18.808 1.00 0.00 C ATOM 945 O LYS A 248 -17.541 23.709 19.273 1.00 0.00 O ATOM 946 CB LYS A 248 -18.795 23.468 16.704 1.00 0.00 C ATOM 947 CG LYS A 248 -19.866 22.399 16.986 1.00 0.00 C ATOM 948 CD LYS A 248 -19.810 21.797 18.400 1.00 0.00 C ATOM 949 CE LYS A 248 -20.851 20.690 18.596 1.00 0.00 C ATOM 950 NZ LYS A 248 -22.229 21.217 18.597 1.00 0.00 N ATOM 0 H LYS A 248 -17.809 26.275 16.757 1.00 0.00 H new ATOM 0 HA LYS A 248 -19.941 24.707 18.015 1.00 0.00 H new ATOM 0 HB2 LYS A 248 -18.852 23.761 15.656 1.00 0.00 H new ATOM 0 HB3 LYS A 248 -17.808 23.033 16.860 1.00 0.00 H new ATOM 0 HG2 LYS A 248 -20.851 22.840 16.831 1.00 0.00 H new ATOM 0 HG3 LYS A 248 -19.759 21.595 16.258 1.00 0.00 H new ATOM 0 HD2 LYS A 248 -18.814 21.394 18.583 1.00 0.00 H new ATOM 0 HD3 LYS A 248 -19.975 22.584 19.136 1.00 0.00 H new ATOM 0 HE2 LYS A 248 -20.747 19.951 17.802 1.00 0.00 H new ATOM 0 HE3 LYS A 248 -20.659 20.176 19.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 248 -22.896 20.445 18.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 248 -22.319 21.953 19.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 248 -22.445 21.625 17.665 1.00 0.00 H new ATOM 964 N LYS A 249 -17.739 25.967 19.324 1.00 0.00 N ATOM 965 CA LYS A 249 -16.904 26.291 20.485 1.00 0.00 C ATOM 966 C LYS A 249 -15.490 25.695 20.368 1.00 0.00 C ATOM 967 O LYS A 249 -15.260 24.573 20.874 1.00 0.00 O ATOM 968 CB LYS A 249 -17.678 25.946 21.778 1.00 0.00 C ATOM 969 CG LYS A 249 -17.181 26.647 23.060 1.00 0.00 C ATOM 970 CD LYS A 249 -15.797 26.229 23.579 1.00 0.00 C ATOM 971 CE LYS A 249 -15.732 24.732 23.900 1.00 0.00 C ATOM 972 NZ LYS A 249 -14.342 24.286 24.097 1.00 0.00 N ATOM 973 OXT LYS A 249 -14.640 26.406 19.792 1.00 0.00 O ATOM 0 H LYS A 249 -18.143 26.806 18.908 1.00 0.00 H new ATOM 0 HA LYS A 249 -16.709 27.363 20.525 1.00 0.00 H new ATOM 0 HB2 LYS A 249 -18.728 26.200 21.630 1.00 0.00 H new ATOM 0 HB3 LYS A 249 -17.629 24.868 21.933 1.00 0.00 H new ATOM 0 HG2 LYS A 249 -17.166 27.721 22.877 1.00 0.00 H new ATOM 0 HG3 LYS A 249 -17.910 26.468 23.851 1.00 0.00 H new ATOM 0 HD2 LYS A 249 -15.041 26.473 22.832 1.00 0.00 H new ATOM 0 HD3 LYS A 249 -15.557 26.802 24.474 1.00 0.00 H new ATOM 0 HE2 LYS A 249 -16.313 24.525 24.799 1.00 0.00 H new ATOM 0 HE3 LYS A 249 -16.187 24.164 23.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 249 -14.331 23.269 24.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 249 -13.795 24.462 23.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 249 -13.917 24.812 24.887 1.00 0.00 H new TER 987 LYS A 249 HETATM 988 ZN ZN A 250 0.214 24.120 3.559 1.00 0.00 ZN HETATM 989 ZN ZN A 251 -2.767 28.140 16.813 1.00 0.00 ZN