USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 479 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj : A 203 GLNHE21 : A 203 GLN OE1 : A 250 ZNZN :(metal ligand) USER MOD NoAdj : A 203 GLNHE22 : A 203 GLN OE1 : A 250 ZNZN :(metal ligand) USER MOD Set 1.1: A 212 CYS SG : rot 169:sc= -1.06 USER MOD Set 1.2: A 214 ASN : amide:sc= -0.259 X(o=0.9,f=0.51) USER MOD Set 1.3: A 239 CYS SG : rot -85:sc= 1.07 USER MOD Set 1.4: A 242 CYS SG : rot 19:sc= 1.15 USER MOD Set 2.1: A 199 CYS SG : rot -156:sc= 0.00353 USER MOD Set 2.2: A 201 CYS SG : rot 114:sc= 0.0859 USER MOD Set 2.3: A 226 CYS SG : rot 134:sc= 0.658 USER MOD Single : A 187 MET CE :methyl 175:sc= 0 (180deg=-0.0471) USER MOD Single : A 189 MET CE :methyl 172:sc= 0 (180deg=-0.0551) USER MOD Single : A 194 ASN : amide:sc=-0.00176 X(o=-0.0018,f=0) USER MOD Single : A 197 THR OG1 : rot 180:sc= 0 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 202 HIS : no HD1:sc= -0.0155 X(o=-0.016,f=0) USER MOD Single : A 205 SER OG : rot 180:sc= 0.00102 USER MOD Single : A 206 TYR OH : rot -30:sc= 0 USER MOD Single : A 209 MET CE :methyl -158:sc= -0.0198 (180deg=-0.757) USER MOD Single : A 218 SER OG : rot -41:sc= 0.327 USER MOD Single : A 223 HIS : no HD1:sc= -0.947 K(o=-0.95,f=-1.7) 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+ 178:sc= 0.526 (180deg=0.522) USER MOD Single : A 236 LYS NZ :NH3+ 154:sc= 0.926 (180deg=0.616) USER MOD Single : A 243 SER OG : rot 180:sc= 0 USER MOD Single : A 244 GLN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 247 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0357) USER MOD Single : A 248 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00267) USER MOD Single : A 249 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0689) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 187 2.015 4.234 -0.244 1.00 0.00 N ATOM 2 CA MET A 187 2.712 5.128 -1.188 1.00 0.00 C ATOM 3 C MET A 187 1.694 5.784 -2.109 1.00 0.00 C ATOM 4 O MET A 187 1.083 5.118 -2.944 1.00 0.00 O ATOM 5 CB MET A 187 3.798 4.394 -1.989 1.00 0.00 C ATOM 6 CG MET A 187 5.017 4.058 -1.124 1.00 0.00 C ATOM 7 SD MET A 187 5.870 5.505 -0.438 1.00 0.00 S ATOM 8 CE MET A 187 7.293 4.674 0.308 1.00 0.00 C ATOM 0 HA MET A 187 3.225 5.899 -0.613 1.00 0.00 H new ATOM 0 HB2 MET A 187 3.384 3.476 -2.405 1.00 0.00 H new ATOM 0 HB3 MET A 187 4.109 5.013 -2.830 1.00 0.00 H new ATOM 0 HG2 MET A 187 4.699 3.416 -0.303 1.00 0.00 H new ATOM 0 HG3 MET A 187 5.725 3.484 -1.722 1.00 0.00 H new ATOM 0 HE1 MET A 187 7.982 5.419 0.705 1.00 0.00 H new ATOM 0 HE2 MET A 187 6.953 4.026 1.116 1.00 0.00 H new ATOM 0 HE3 MET A 187 7.802 4.075 -0.447 1.00 0.00 H new ATOM 20 N ASP A 188 1.509 7.093 -1.909 1.00 0.00 N ATOM 21 CA ASP A 188 0.438 7.891 -2.511 1.00 0.00 C ATOM 22 C ASP A 188 0.935 9.290 -2.927 1.00 0.00 C ATOM 23 O ASP A 188 0.136 10.127 -3.347 1.00 0.00 O ATOM 24 CB ASP A 188 -0.720 7.996 -1.499 1.00 0.00 C ATOM 25 CG ASP A 188 -1.242 6.628 -1.045 1.00 0.00 C ATOM 26 OD1 ASP A 188 -0.692 6.101 -0.049 1.00 0.00 O ATOM 27 OD2 ASP A 188 -2.173 6.123 -1.708 1.00 0.00 O ATOM 0 H ASP A 188 2.120 7.643 -1.305 1.00 0.00 H new ATOM 0 HA ASP A 188 0.093 7.400 -3.421 1.00 0.00 H new ATOM 0 HB2 ASP A 188 -0.384 8.558 -0.628 1.00 0.00 H new ATOM 0 HB3 ASP A 188 -1.538 8.561 -1.947 1.00 0.00 H new ATOM 32 N MET A 189 2.248 9.540 -2.805 1.00 0.00 N ATOM 33 CA MET A 189 2.918 10.811 -3.064 1.00 0.00 C ATOM 34 C MET A 189 4.330 10.542 -3.620 1.00 0.00 C ATOM 35 O MET A 189 4.875 9.460 -3.388 1.00 0.00 O ATOM 36 CB MET A 189 3.025 11.611 -1.750 1.00 0.00 C ATOM 37 CG MET A 189 1.675 12.138 -1.252 1.00 0.00 C ATOM 38 SD MET A 189 1.770 13.228 0.197 1.00 0.00 S ATOM 39 CE MET A 189 2.462 14.730 -0.548 1.00 0.00 C ATOM 0 H MET A 189 2.901 8.816 -2.506 1.00 0.00 H new ATOM 0 HA MET A 189 2.344 11.384 -3.792 1.00 0.00 H new ATOM 0 HB2 MET A 189 3.466 10.977 -0.981 1.00 0.00 H new ATOM 0 HB3 MET A 189 3.703 12.451 -1.898 1.00 0.00 H new ATOM 0 HG2 MET A 189 1.190 12.679 -2.065 1.00 0.00 H new ATOM 0 HG3 MET A 189 1.037 11.289 -1.009 1.00 0.00 H new ATOM 0 HE1 MET A 189 2.448 15.538 0.183 1.00 0.00 H new ATOM 0 HE2 MET A 189 3.489 14.541 -0.861 1.00 0.00 H new ATOM 0 HE3 MET A 189 1.865 15.014 -1.415 1.00 0.00 H new ATOM 49 N PRO A 190 4.961 11.520 -4.306 1.00 0.00 N ATOM 50 CA PRO A 190 6.336 11.420 -4.806 1.00 0.00 C ATOM 51 C PRO A 190 7.406 11.548 -3.698 1.00 0.00 C ATOM 52 O PRO A 190 8.579 11.751 -4.008 1.00 0.00 O ATOM 53 CB PRO A 190 6.449 12.530 -5.860 1.00 0.00 C ATOM 54 CG PRO A 190 5.513 13.608 -5.325 1.00 0.00 C ATOM 55 CD PRO A 190 4.373 12.786 -4.728 1.00 0.00 C ATOM 0 HA PRO A 190 6.530 10.433 -5.225 1.00 0.00 H new ATOM 0 HB2 PRO A 190 7.472 12.894 -5.954 1.00 0.00 H new ATOM 0 HB3 PRO A 190 6.142 12.182 -6.847 1.00 0.00 H new ATOM 0 HG2 PRO A 190 5.999 14.233 -4.576 1.00 0.00 H new ATOM 0 HG3 PRO A 190 5.164 14.272 -6.116 1.00 0.00 H new ATOM 0 HD2 PRO A 190 3.920 13.305 -3.884 1.00 0.00 H new ATOM 0 HD3 PRO A 190 3.584 12.623 -5.463 1.00 0.00 H new ATOM 63 N VAL A 191 7.018 11.428 -2.418 1.00 0.00 N ATOM 64 CA VAL A 191 7.863 11.518 -1.245 1.00 0.00 C ATOM 65 C VAL A 191 7.518 10.364 -0.299 1.00 0.00 C ATOM 66 O VAL A 191 6.352 10.037 -0.070 1.00 0.00 O ATOM 67 CB VAL A 191 7.688 12.884 -0.546 1.00 0.00 C ATOM 68 CG1 VAL A 191 8.451 13.985 -1.299 1.00 0.00 C ATOM 69 CG2 VAL A 191 6.228 13.330 -0.342 1.00 0.00 C ATOM 0 H VAL A 191 6.043 11.255 -2.174 1.00 0.00 H new ATOM 0 HA VAL A 191 8.909 11.440 -1.541 1.00 0.00 H new ATOM 0 HB VAL A 191 8.104 12.734 0.450 1.00 0.00 H new ATOM 0 HG11 VAL A 191 8.313 14.938 -0.788 1.00 0.00 H new ATOM 0 HG12 VAL A 191 9.512 13.738 -1.326 1.00 0.00 H new ATOM 0 HG13 VAL A 191 8.070 14.061 -2.317 1.00 0.00 H new ATOM 0 HG21 VAL A 191 6.210 14.299 0.156 1.00 0.00 H new ATOM 0 HG22 VAL A 191 5.733 13.410 -1.310 1.00 0.00 H new ATOM 0 HG23 VAL A 191 5.706 12.597 0.273 1.00 0.00 H new ATOM 79 N ASP A 192 8.577 9.766 0.249 1.00 0.00 N ATOM 80 CA ASP A 192 8.549 8.708 1.255 1.00 0.00 C ATOM 81 C ASP A 192 7.977 9.206 2.596 1.00 0.00 C ATOM 82 O ASP A 192 8.000 10.409 2.861 1.00 0.00 O ATOM 83 CB ASP A 192 9.994 8.222 1.470 1.00 0.00 C ATOM 84 CG ASP A 192 10.523 7.423 0.280 1.00 0.00 C ATOM 85 OD1 ASP A 192 10.995 8.067 -0.683 1.00 0.00 O ATOM 86 OD2 ASP A 192 10.451 6.177 0.360 1.00 0.00 O ATOM 0 H ASP A 192 9.529 10.023 -0.013 1.00 0.00 H new ATOM 0 HA ASP A 192 7.904 7.903 0.902 1.00 0.00 H new ATOM 0 HB2 ASP A 192 10.641 9.082 1.644 1.00 0.00 H new ATOM 0 HB3 ASP A 192 10.037 7.604 2.367 1.00 0.00 H new ATOM 91 N PRO A 193 7.534 8.295 3.489 1.00 0.00 N ATOM 92 CA PRO A 193 7.204 8.630 4.876 1.00 0.00 C ATOM 93 C PRO A 193 8.459 8.964 5.710 1.00 0.00 C ATOM 94 O PRO A 193 8.336 9.413 6.848 1.00 0.00 O ATOM 95 CB PRO A 193 6.477 7.396 5.420 1.00 0.00 C ATOM 96 CG PRO A 193 7.103 6.247 4.633 1.00 0.00 C ATOM 97 CD PRO A 193 7.352 6.867 3.260 1.00 0.00 C ATOM 0 HA PRO A 193 6.586 9.526 4.933 1.00 0.00 H new ATOM 0 HB2 PRO A 193 6.630 7.279 6.493 1.00 0.00 H new ATOM 0 HB3 PRO A 193 5.401 7.457 5.256 1.00 0.00 H new ATOM 0 HG2 PRO A 193 8.028 5.900 5.093 1.00 0.00 H new ATOM 0 HG3 PRO A 193 6.435 5.388 4.573 1.00 0.00 H new ATOM 0 HD2 PRO A 193 8.234 6.432 2.790 1.00 0.00 H new ATOM 0 HD3 PRO A 193 6.511 6.683 2.591 1.00 0.00 H new ATOM 105 N ASN A 194 9.656 8.762 5.134 1.00 0.00 N ATOM 106 CA ASN A 194 10.968 9.037 5.711 1.00 0.00 C ATOM 107 C ASN A 194 11.408 10.487 5.422 1.00 0.00 C ATOM 108 O ASN A 194 12.575 10.740 5.119 1.00 0.00 O ATOM 109 CB ASN A 194 11.960 8.000 5.151 1.00 0.00 C ATOM 110 CG ASN A 194 11.497 6.561 5.387 1.00 0.00 C ATOM 111 OD1 ASN A 194 11.367 6.122 6.525 1.00 0.00 O ATOM 112 ND2 ASN A 194 11.228 5.819 4.312 1.00 0.00 N ATOM 0 H ASN A 194 9.730 8.377 4.192 1.00 0.00 H new ATOM 0 HA ASN A 194 10.933 8.947 6.797 1.00 0.00 H new ATOM 0 HB2 ASN A 194 12.089 8.166 4.082 1.00 0.00 H new ATOM 0 HB3 ASN A 194 12.935 8.146 5.616 1.00 0.00 H new ATOM 0 HD21 ASN A 194 10.904 4.858 4.424 1.00 0.00 H new ATOM 0 HD22 ASN A 194 11.346 6.212 3.378 1.00 0.00 H new ATOM 119 N GLU A 195 10.457 11.429 5.478 1.00 0.00 N ATOM 120 CA GLU A 195 10.610 12.819 5.061 1.00 0.00 C ATOM 121 C GLU A 195 9.811 13.702 6.037 1.00 0.00 C ATOM 122 O GLU A 195 8.636 13.412 6.273 1.00 0.00 O ATOM 123 CB GLU A 195 10.073 12.952 3.622 1.00 0.00 C ATOM 124 CG GLU A 195 10.303 14.328 2.976 1.00 0.00 C ATOM 125 CD GLU A 195 11.779 14.663 2.733 1.00 0.00 C ATOM 126 OE1 GLU A 195 12.520 13.757 2.292 1.00 0.00 O ATOM 127 OE2 GLU A 195 12.143 15.834 2.977 1.00 0.00 O ATOM 0 H GLU A 195 9.521 11.229 5.831 1.00 0.00 H new ATOM 0 HA GLU A 195 11.654 13.133 5.076 1.00 0.00 H new ATOM 0 HB2 GLU A 195 10.545 12.191 3.001 1.00 0.00 H new ATOM 0 HB3 GLU A 195 9.003 12.742 3.627 1.00 0.00 H new ATOM 0 HG2 GLU A 195 9.771 14.365 2.025 1.00 0.00 H new ATOM 0 HG3 GLU A 195 9.867 15.096 3.615 1.00 0.00 H new ATOM 134 N PRO A 196 10.404 14.770 6.613 1.00 0.00 N ATOM 135 CA PRO A 196 9.718 15.648 7.557 1.00 0.00 C ATOM 136 C PRO A 196 8.647 16.508 6.871 1.00 0.00 C ATOM 137 O PRO A 196 8.683 16.727 5.659 1.00 0.00 O ATOM 138 CB PRO A 196 10.817 16.507 8.192 1.00 0.00 C ATOM 139 CG PRO A 196 11.890 16.564 7.108 1.00 0.00 C ATOM 140 CD PRO A 196 11.792 15.182 6.466 1.00 0.00 C ATOM 0 HA PRO A 196 9.177 15.073 8.308 1.00 0.00 H new ATOM 0 HB2 PRO A 196 10.452 17.501 8.449 1.00 0.00 H new ATOM 0 HB3 PRO A 196 11.197 16.060 9.111 1.00 0.00 H new ATOM 0 HG2 PRO A 196 11.697 17.359 6.388 1.00 0.00 H new ATOM 0 HG3 PRO A 196 12.880 16.747 7.527 1.00 0.00 H new ATOM 0 HD2 PRO A 196 12.079 15.219 5.415 1.00 0.00 H new ATOM 0 HD3 PRO A 196 12.463 14.476 6.955 1.00 0.00 H new ATOM 148 N THR A 197 7.693 17.003 7.671 1.00 0.00 N ATOM 149 CA THR A 197 6.525 17.747 7.215 1.00 0.00 C ATOM 150 C THR A 197 6.165 18.850 8.221 1.00 0.00 C ATOM 151 O THR A 197 6.780 18.974 9.281 1.00 0.00 O ATOM 152 CB THR A 197 5.327 16.796 6.991 1.00 0.00 C ATOM 153 OG1 THR A 197 4.931 16.186 8.202 1.00 0.00 O ATOM 154 CG2 THR A 197 5.586 15.700 5.949 1.00 0.00 C ATOM 0 H THR A 197 7.720 16.890 8.684 1.00 0.00 H new ATOM 0 HA THR A 197 6.766 18.218 6.262 1.00 0.00 H new ATOM 0 HB THR A 197 4.532 17.433 6.604 1.00 0.00 H new ATOM 0 HG1 THR A 197 4.171 15.591 8.035 1.00 0.00 H new ATOM 0 HG21 THR A 197 4.698 15.075 5.850 1.00 0.00 H new ATOM 0 HG22 THR A 197 5.816 16.159 4.987 1.00 0.00 H new ATOM 0 HG23 THR A 197 6.428 15.086 6.268 1.00 0.00 H new ATOM 162 N TYR A 198 5.155 19.652 7.860 1.00 0.00 N ATOM 163 CA TYR A 198 4.766 20.865 8.578 1.00 0.00 C ATOM 164 C TYR A 198 3.247 21.010 8.742 1.00 0.00 C ATOM 165 O TYR A 198 2.767 20.701 9.827 1.00 0.00 O ATOM 166 CB TYR A 198 5.383 22.075 7.871 1.00 0.00 C ATOM 167 CG TYR A 198 6.874 22.279 8.085 1.00 0.00 C ATOM 168 CD1 TYR A 198 7.397 22.353 9.392 1.00 0.00 C ATOM 169 CD2 TYR A 198 7.734 22.453 6.981 1.00 0.00 C ATOM 170 CE1 TYR A 198 8.763 22.606 9.602 1.00 0.00 C ATOM 171 CE2 TYR A 198 9.099 22.719 7.183 1.00 0.00 C ATOM 172 CZ TYR A 198 9.621 22.798 8.495 1.00 0.00 C ATOM 173 OH TYR A 198 10.944 23.060 8.690 1.00 0.00 O ATOM 0 H TYR A 198 4.575 19.468 7.042 1.00 0.00 H new ATOM 0 HA TYR A 198 5.152 20.799 9.595 1.00 0.00 H new ATOM 0 HB2 TYR A 198 5.199 21.979 6.801 1.00 0.00 H new ATOM 0 HB3 TYR A 198 4.861 22.972 8.205 1.00 0.00 H new ATOM 0 HD1 TYR A 198 6.742 22.214 10.239 1.00 0.00 H new ATOM 0 HD2 TYR A 198 7.342 22.382 5.977 1.00 0.00 H new ATOM 0 HE1 TYR A 198 9.157 22.654 10.607 1.00 0.00 H new ATOM 0 HE2 TYR A 198 9.751 22.863 6.334 1.00 0.00 H new ATOM 0 HH TYR A 198 11.388 23.164 7.823 1.00 0.00 H new ATOM 183 N CYS A 199 2.501 21.485 7.722 1.00 0.00 N ATOM 184 CA CYS A 199 1.056 21.734 7.797 1.00 0.00 C ATOM 185 C CYS A 199 0.254 20.499 8.220 1.00 0.00 C ATOM 186 O CYS A 199 0.750 19.372 8.195 1.00 0.00 O ATOM 187 CB CYS A 199 0.475 22.414 6.528 1.00 0.00 C ATOM 188 SG CYS A 199 -1.021 23.365 6.974 1.00 0.00 S ATOM 0 H CYS A 199 2.899 21.708 6.810 1.00 0.00 H new ATOM 0 HA CYS A 199 0.939 22.462 8.599 1.00 0.00 H new ATOM 0 HB2 CYS A 199 1.219 23.075 6.084 1.00 0.00 H new ATOM 0 HB3 CYS A 199 0.230 21.661 5.779 1.00 0.00 H new ATOM 0 HG CYS A 199 -1.776 23.504 5.925 1.00 0.00 H new ATOM 193 N LEU A 200 -1.024 20.730 8.550 1.00 0.00 N ATOM 194 CA LEU A 200 -2.023 19.682 8.779 1.00 0.00 C ATOM 195 C LEU A 200 -2.231 18.779 7.548 1.00 0.00 C ATOM 196 O LEU A 200 -2.880 17.739 7.646 1.00 0.00 O ATOM 197 CB LEU A 200 -3.331 20.299 9.310 1.00 0.00 C ATOM 198 CG LEU A 200 -4.072 21.192 8.293 1.00 0.00 C ATOM 199 CD1 LEU A 200 -5.085 20.422 7.431 1.00 0.00 C ATOM 200 CD2 LEU A 200 -4.822 22.325 9.010 1.00 0.00 C ATOM 0 H LEU A 200 -1.398 21.672 8.667 1.00 0.00 H new ATOM 0 HA LEU A 200 -1.641 19.013 9.550 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -3.997 19.495 9.623 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -3.106 20.890 10.198 1.00 0.00 H new ATOM 0 HG LEU A 200 -3.297 21.589 7.637 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -5.570 21.110 6.738 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -4.568 19.645 6.869 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -5.837 19.965 8.074 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -5.337 22.943 8.274 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -5.550 21.899 9.701 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -4.111 22.938 9.564 1.00 0.00 H new ATOM 212 N CYS A 201 -1.658 19.180 6.406 1.00 0.00 N ATOM 213 CA CYS A 201 -1.613 18.445 5.153 1.00 0.00 C ATOM 214 C CYS A 201 -0.573 17.314 5.152 1.00 0.00 C ATOM 215 O CYS A 201 -0.676 16.400 4.336 1.00 0.00 O ATOM 216 CB CYS A 201 -1.185 19.443 4.084 1.00 0.00 C ATOM 217 SG CYS A 201 -2.393 20.776 3.867 1.00 0.00 S ATOM 0 H CYS A 201 -1.187 20.082 6.337 1.00 0.00 H new ATOM 0 HA CYS A 201 -2.592 17.997 4.984 1.00 0.00 H new ATOM 0 HB2 CYS A 201 -0.220 19.871 4.355 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -1.048 18.921 3.137 1.00 0.00 H new ATOM 0 HG CYS A 201 -1.867 21.904 4.242 1.00 0.00 H new ATOM 223 N HIS A 202 0.430 17.408 6.036 1.00 0.00 N ATOM 224 CA HIS A 202 1.628 16.578 6.088 1.00 0.00 C ATOM 225 C HIS A 202 2.372 16.574 4.746 1.00 0.00 C ATOM 226 O HIS A 202 2.432 15.562 4.048 1.00 0.00 O ATOM 227 CB HIS A 202 1.339 15.188 6.683 1.00 0.00 C ATOM 228 CG HIS A 202 1.105 15.214 8.175 1.00 0.00 C ATOM 229 ND1 HIS A 202 1.873 14.578 9.126 1.00 0.00 N ATOM 230 CD2 HIS A 202 0.115 15.884 8.846 1.00 0.00 C ATOM 231 CE1 HIS A 202 1.355 14.867 10.333 1.00 0.00 C ATOM 232 NE2 HIS A 202 0.280 15.663 10.217 1.00 0.00 N ATOM 0 H HIS A 202 0.420 18.110 6.776 1.00 0.00 H new ATOM 0 HA HIS A 202 2.330 17.029 6.789 1.00 0.00 H new ATOM 0 HB2 HIS A 202 0.462 14.765 6.192 1.00 0.00 H new ATOM 0 HB3 HIS A 202 2.177 14.526 6.465 1.00 0.00 H new ATOM 0 HD2 HIS A 202 -0.662 16.482 8.392 1.00 0.00 H new ATOM 0 HE1 HIS A 202 1.751 14.507 11.271 1.00 0.00 H new ATOM 0 HE2 HIS A 202 -0.297 16.031 10.973 1.00 0.00 H new ATOM 240 N GLN A 203 2.951 17.738 4.414 1.00 0.00 N ATOM 241 CA GLN A 203 3.828 17.955 3.273 1.00 0.00 C ATOM 242 C GLN A 203 5.128 18.666 3.689 1.00 0.00 C ATOM 243 O GLN A 203 5.189 19.300 4.744 1.00 0.00 O ATOM 244 CB GLN A 203 3.064 18.689 2.149 1.00 0.00 C ATOM 245 CG GLN A 203 3.007 20.229 2.212 1.00 0.00 C ATOM 246 CD GLN A 203 2.210 20.828 3.371 1.00 0.00 C ATOM 247 OE1 GLN A 203 1.123 21.367 3.174 1.00 0.00 O ATOM 248 NE2 GLN A 203 2.755 20.822 4.584 1.00 0.00 N ATOM 0 H GLN A 203 2.809 18.586 4.963 1.00 0.00 H new ATOM 0 HA GLN A 203 4.137 16.989 2.873 1.00 0.00 H new ATOM 0 HB2 GLN A 203 3.515 18.408 1.197 1.00 0.00 H new ATOM 0 HB3 GLN A 203 2.040 18.315 2.139 1.00 0.00 H new ATOM 0 HG2 GLN A 203 4.028 20.608 2.266 1.00 0.00 H new ATOM 0 HG3 GLN A 203 2.581 20.595 1.278 1.00 0.00 H new ATOM 0 HE21 GLN A 203 3.658 20.372 4.735 1.00 0.00 H new ATOM 0 HE22 GLN A 203 2.270 21.268 5.363 1.00 0.00 H new ATOM 257 N VAL A 204 6.161 18.564 2.842 1.00 0.00 N ATOM 258 CA VAL A 204 7.503 19.129 3.055 1.00 0.00 C ATOM 259 C VAL A 204 7.481 20.674 2.954 1.00 0.00 C ATOM 260 O VAL A 204 6.431 21.281 2.744 1.00 0.00 O ATOM 261 CB VAL A 204 8.528 18.491 2.067 1.00 0.00 C ATOM 262 CG1 VAL A 204 9.938 18.384 2.682 1.00 0.00 C ATOM 263 CG2 VAL A 204 8.161 17.069 1.593 1.00 0.00 C ATOM 0 H VAL A 204 6.083 18.067 1.955 1.00 0.00 H new ATOM 0 HA VAL A 204 7.826 18.883 4.067 1.00 0.00 H new ATOM 0 HB VAL A 204 8.505 19.173 1.217 1.00 0.00 H new ATOM 0 HG11 VAL A 204 10.617 17.934 1.958 1.00 0.00 H new ATOM 0 HG12 VAL A 204 10.296 19.379 2.946 1.00 0.00 H new ATOM 0 HG13 VAL A 204 9.898 17.763 3.577 1.00 0.00 H new ATOM 0 HG21 VAL A 204 8.928 16.704 0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 204 8.096 16.404 2.454 1.00 0.00 H new ATOM 0 HG23 VAL A 204 7.200 17.093 1.080 1.00 0.00 H new ATOM 273 N SER A 205 8.657 21.298 3.110 1.00 0.00 N ATOM 274 CA SER A 205 8.930 22.738 3.065 1.00 0.00 C ATOM 275 C SER A 205 8.277 23.470 1.882 1.00 0.00 C ATOM 276 O SER A 205 8.062 22.898 0.813 1.00 0.00 O ATOM 277 CB SER A 205 10.448 22.965 3.034 1.00 0.00 C ATOM 278 OG SER A 205 11.081 22.338 4.131 1.00 0.00 O ATOM 0 H SER A 205 9.509 20.764 3.285 1.00 0.00 H new ATOM 0 HA SER A 205 8.483 23.162 3.964 1.00 0.00 H new ATOM 0 HB2 SER A 205 10.858 22.575 2.102 1.00 0.00 H new ATOM 0 HB3 SER A 205 10.659 24.034 3.052 1.00 0.00 H new ATOM 0 HG SER A 205 12.047 22.497 4.086 1.00 0.00 H new ATOM 284 N TYR A 206 7.978 24.757 2.103 1.00 0.00 N ATOM 285 CA TYR A 206 7.161 25.598 1.229 1.00 0.00 C ATOM 286 C TYR A 206 7.517 27.085 1.388 1.00 0.00 C ATOM 287 O TYR A 206 8.248 27.468 2.302 1.00 0.00 O ATOM 288 CB TYR A 206 5.669 25.336 1.518 1.00 0.00 C ATOM 289 CG TYR A 206 5.228 25.478 2.968 1.00 0.00 C ATOM 290 CD1 TYR A 206 5.554 24.475 3.902 1.00 0.00 C ATOM 291 CD2 TYR A 206 4.460 26.583 3.384 1.00 0.00 C ATOM 292 CE1 TYR A 206 5.161 24.591 5.241 1.00 0.00 C ATOM 293 CE2 TYR A 206 4.001 26.659 4.713 1.00 0.00 C ATOM 294 CZ TYR A 206 4.353 25.665 5.647 1.00 0.00 C ATOM 295 OH TYR A 206 3.950 25.749 6.942 1.00 0.00 O ATOM 0 H TYR A 206 8.313 25.256 2.927 1.00 0.00 H new ATOM 0 HA TYR A 206 7.368 25.338 0.191 1.00 0.00 H new ATOM 0 HB2 TYR A 206 5.077 26.022 0.912 1.00 0.00 H new ATOM 0 HB3 TYR A 206 5.428 24.327 1.184 1.00 0.00 H new ATOM 0 HD1 TYR A 206 6.113 23.608 3.582 1.00 0.00 H new ATOM 0 HD2 TYR A 206 4.223 27.371 2.684 1.00 0.00 H new ATOM 0 HE1 TYR A 206 5.480 23.853 5.962 1.00 0.00 H new ATOM 0 HE2 TYR A 206 3.375 27.485 5.018 1.00 0.00 H new ATOM 0 HH TYR A 206 3.869 24.848 7.318 1.00 0.00 H new ATOM 305 N GLY A 207 7.002 27.915 0.468 1.00 0.00 N ATOM 306 CA GLY A 207 7.398 29.311 0.303 1.00 0.00 C ATOM 307 C GLY A 207 6.941 30.241 1.428 1.00 0.00 C ATOM 308 O GLY A 207 7.772 30.965 1.975 1.00 0.00 O ATOM 0 H GLY A 207 6.283 27.622 -0.194 1.00 0.00 H new ATOM 0 HA2 GLY A 207 8.484 29.360 0.228 1.00 0.00 H new ATOM 0 HA3 GLY A 207 6.996 29.680 -0.641 1.00 0.00 H new ATOM 312 N GLU A 208 5.647 30.215 1.783 1.00 0.00 N ATOM 313 CA GLU A 208 5.034 31.182 2.684 1.00 0.00 C ATOM 314 C GLU A 208 4.343 30.464 3.841 1.00 0.00 C ATOM 315 O GLU A 208 3.476 29.617 3.634 1.00 0.00 O ATOM 316 CB GLU A 208 4.117 32.108 1.877 1.00 0.00 C ATOM 317 CG GLU A 208 2.718 31.592 1.476 1.00 0.00 C ATOM 318 CD GLU A 208 2.695 30.284 0.676 1.00 0.00 C ATOM 319 OE1 GLU A 208 3.511 30.154 -0.264 1.00 0.00 O ATOM 320 OE2 GLU A 208 1.845 29.430 1.012 1.00 0.00 O ATOM 0 H GLU A 208 4.995 29.508 1.443 1.00 0.00 H new ATOM 0 HA GLU A 208 5.789 31.817 3.148 1.00 0.00 H new ATOM 0 HB2 GLU A 208 3.980 33.023 2.453 1.00 0.00 H new ATOM 0 HB3 GLU A 208 4.644 32.382 0.963 1.00 0.00 H new ATOM 0 HG2 GLU A 208 2.129 31.452 2.383 1.00 0.00 H new ATOM 0 HG3 GLU A 208 2.221 32.364 0.889 1.00 0.00 H new ATOM 327 N MET A 209 4.758 30.799 5.070 1.00 0.00 N ATOM 328 CA MET A 209 4.413 30.009 6.249 1.00 0.00 C ATOM 329 C MET A 209 4.177 30.863 7.496 1.00 0.00 C ATOM 330 O MET A 209 4.864 31.860 7.723 1.00 0.00 O ATOM 331 CB MET A 209 5.552 29.007 6.575 1.00 0.00 C ATOM 332 CG MET A 209 6.517 28.596 5.445 1.00 0.00 C ATOM 333 SD MET A 209 7.490 27.069 5.667 1.00 0.00 S ATOM 334 CE MET A 209 7.712 26.952 7.462 1.00 0.00 C ATOM 0 H MET A 209 5.335 31.616 5.269 1.00 0.00 H new ATOM 0 HA MET A 209 3.485 29.493 6.001 1.00 0.00 H new ATOM 0 HB2 MET A 209 6.149 29.434 7.381 1.00 0.00 H new ATOM 0 HB3 MET A 209 5.093 28.099 6.965 1.00 0.00 H new ATOM 0 HG2 MET A 209 5.935 28.491 4.530 1.00 0.00 H new ATOM 0 HG3 MET A 209 7.216 29.418 5.286 1.00 0.00 H new ATOM 0 HE1 MET A 209 8.577 26.326 7.682 1.00 0.00 H new ATOM 0 HE2 MET A 209 7.871 27.948 7.875 1.00 0.00 H new ATOM 0 HE3 MET A 209 6.822 26.511 7.911 1.00 0.00 H new ATOM 344 N ILE A 210 3.255 30.388 8.343 1.00 0.00 N ATOM 345 CA ILE A 210 3.007 30.888 9.697 1.00 0.00 C ATOM 346 C ILE A 210 2.688 29.718 10.631 1.00 0.00 C ATOM 347 O ILE A 210 2.182 28.691 10.191 1.00 0.00 O ATOM 348 CB ILE A 210 1.894 31.955 9.679 1.00 0.00 C ATOM 349 CG1 ILE A 210 1.794 32.675 11.041 1.00 0.00 C ATOM 350 CG2 ILE A 210 0.534 31.383 9.235 1.00 0.00 C ATOM 351 CD1 ILE A 210 1.071 34.022 10.959 1.00 0.00 C ATOM 0 H ILE A 210 2.639 29.615 8.092 1.00 0.00 H new ATOM 0 HA ILE A 210 3.903 31.375 10.081 1.00 0.00 H new ATOM 0 HB ILE A 210 2.174 32.694 8.929 1.00 0.00 H new ATOM 0 HG12 ILE A 210 1.270 32.031 11.748 1.00 0.00 H new ATOM 0 HG13 ILE A 210 2.798 32.832 11.436 1.00 0.00 H new ATOM 0 HG21 ILE A 210 -0.214 32.176 9.240 1.00 0.00 H new ATOM 0 HG22 ILE A 210 0.622 30.974 8.228 1.00 0.00 H new ATOM 0 HG23 ILE A 210 0.230 30.593 9.922 1.00 0.00 H new ATOM 0 HD11 ILE A 210 1.035 34.476 11.949 1.00 0.00 H new ATOM 0 HD12 ILE A 210 1.607 34.682 10.277 1.00 0.00 H new ATOM 0 HD13 ILE A 210 0.056 33.868 10.593 1.00 0.00 H new ATOM 363 N GLY A 211 2.980 29.878 11.924 1.00 0.00 N ATOM 364 CA GLY A 211 2.947 28.804 12.906 1.00 0.00 C ATOM 365 C GLY A 211 2.201 29.197 14.172 1.00 0.00 C ATOM 366 O GLY A 211 2.207 30.363 14.566 1.00 0.00 O ATOM 0 H GLY A 211 3.251 30.778 12.320 1.00 0.00 H new ATOM 0 HA2 GLY A 211 2.472 27.927 12.465 1.00 0.00 H new ATOM 0 HA3 GLY A 211 3.967 28.519 13.163 1.00 0.00 H new ATOM 370 N CYS A 212 1.535 28.204 14.784 1.00 0.00 N ATOM 371 CA CYS A 212 0.649 28.457 15.923 1.00 0.00 C ATOM 372 C CYS A 212 1.444 28.827 17.176 1.00 0.00 C ATOM 373 O CYS A 212 2.510 28.281 17.457 1.00 0.00 O ATOM 374 CB CYS A 212 -0.322 27.307 16.238 1.00 0.00 C ATOM 375 SG CYS A 212 -1.709 27.922 17.247 1.00 0.00 S ATOM 0 H CYS A 212 1.595 27.224 14.508 1.00 0.00 H new ATOM 0 HA CYS A 212 0.034 29.303 15.615 1.00 0.00 H new ATOM 0 HB2 CYS A 212 -0.699 26.874 15.311 1.00 0.00 H new ATOM 0 HB3 CYS A 212 0.202 26.513 16.770 1.00 0.00 H new ATOM 0 HG CYS A 212 -2.638 27.014 17.307 1.00 0.00 H new ATOM 380 N ASP A 213 0.846 29.747 17.928 1.00 0.00 N ATOM 381 CA ASP A 213 1.373 30.360 19.143 1.00 0.00 C ATOM 382 C ASP A 213 1.233 29.484 20.405 1.00 0.00 C ATOM 383 O ASP A 213 1.799 29.832 21.441 1.00 0.00 O ATOM 384 CB ASP A 213 0.668 31.720 19.304 1.00 0.00 C ATOM 385 CG ASP A 213 1.086 32.500 20.551 1.00 0.00 C ATOM 386 OD1 ASP A 213 2.223 33.019 20.546 1.00 0.00 O ATOM 387 OD2 ASP A 213 0.238 32.607 21.466 1.00 0.00 O ATOM 0 H ASP A 213 -0.078 30.107 17.690 1.00 0.00 H new ATOM 0 HA ASP A 213 2.451 30.484 19.036 1.00 0.00 H new ATOM 0 HB2 ASP A 213 0.872 32.329 18.423 1.00 0.00 H new ATOM 0 HB3 ASP A 213 -0.409 31.556 19.336 1.00 0.00 H new ATOM 392 N ASN A 214 0.505 28.356 20.349 1.00 0.00 N ATOM 393 CA ASN A 214 0.243 27.553 21.545 1.00 0.00 C ATOM 394 C ASN A 214 1.496 26.771 21.970 1.00 0.00 C ATOM 395 O ASN A 214 2.191 26.236 21.102 1.00 0.00 O ATOM 396 CB ASN A 214 -0.875 26.526 21.305 1.00 0.00 C ATOM 397 CG ASN A 214 -2.245 27.115 21.011 1.00 0.00 C ATOM 398 OD1 ASN A 214 -2.666 28.091 21.621 1.00 0.00 O ATOM 399 ND2 ASN A 214 -2.965 26.487 20.085 1.00 0.00 N ATOM 0 H ASN A 214 0.092 27.986 19.493 1.00 0.00 H new ATOM 0 HA ASN A 214 -0.055 28.255 22.323 1.00 0.00 H new ATOM 0 HB2 ASN A 214 -0.586 25.887 20.471 1.00 0.00 H new ATOM 0 HB3 ASN A 214 -0.954 25.887 22.184 1.00 0.00 H new ATOM 0 HD21 ASN A 214 -3.904 26.815 19.860 1.00 0.00 H new ATOM 0 HD22 ASN A 214 -2.578 25.678 19.600 1.00 0.00 H new ATOM 406 N PRO A 215 1.735 26.600 23.287 1.00 0.00 N ATOM 407 CA PRO A 215 2.739 25.675 23.811 1.00 0.00 C ATOM 408 C PRO A 215 2.266 24.206 23.726 1.00 0.00 C ATOM 409 O PRO A 215 2.954 23.315 24.220 1.00 0.00 O ATOM 410 CB PRO A 215 2.961 26.129 25.258 1.00 0.00 C ATOM 411 CG PRO A 215 1.583 26.638 25.675 1.00 0.00 C ATOM 412 CD PRO A 215 1.022 27.240 24.386 1.00 0.00 C ATOM 0 HA PRO A 215 3.663 25.699 23.233 1.00 0.00 H new ATOM 0 HB2 PRO A 215 3.296 25.308 25.891 1.00 0.00 H new ATOM 0 HB3 PRO A 215 3.717 26.912 25.324 1.00 0.00 H new ATOM 0 HG2 PRO A 215 0.953 25.831 26.049 1.00 0.00 H new ATOM 0 HG3 PRO A 215 1.653 27.382 26.469 1.00 0.00 H new ATOM 0 HD2 PRO A 215 -0.051 27.062 24.309 1.00 0.00 H new ATOM 0 HD3 PRO A 215 1.168 28.320 24.367 1.00 0.00 H new ATOM 420 N ASP A 216 1.104 23.962 23.094 1.00 0.00 N ATOM 421 CA ASP A 216 0.413 22.677 23.009 1.00 0.00 C ATOM 422 C ASP A 216 0.132 22.261 21.555 1.00 0.00 C ATOM 423 O ASP A 216 -0.338 21.145 21.330 1.00 0.00 O ATOM 424 CB ASP A 216 -0.913 22.761 23.785 1.00 0.00 C ATOM 425 CG ASP A 216 -0.753 23.307 25.205 1.00 0.00 C ATOM 426 OD1 ASP A 216 -0.165 22.583 26.037 1.00 0.00 O ATOM 427 OD2 ASP A 216 -1.225 24.444 25.430 1.00 0.00 O ATOM 0 H ASP A 216 0.600 24.701 22.604 1.00 0.00 H new ATOM 0 HA ASP A 216 1.065 21.920 23.446 1.00 0.00 H new ATOM 0 HB2 ASP A 216 -1.607 23.397 23.235 1.00 0.00 H new ATOM 0 HB3 ASP A 216 -1.360 21.768 23.834 1.00 0.00 H new ATOM 432 N CYS A 217 0.414 23.132 20.570 1.00 0.00 N ATOM 433 CA CYS A 217 0.306 22.819 19.158 1.00 0.00 C ATOM 434 C CYS A 217 1.301 21.715 18.797 1.00 0.00 C ATOM 435 O CYS A 217 2.477 21.770 19.154 1.00 0.00 O ATOM 436 CB CYS A 217 0.517 24.083 18.319 1.00 0.00 C ATOM 437 SG CYS A 217 0.200 23.748 16.569 1.00 0.00 S ATOM 0 H CYS A 217 0.728 24.086 20.749 1.00 0.00 H new ATOM 0 HA CYS A 217 -0.695 22.449 18.938 1.00 0.00 H new ATOM 0 HB2 CYS A 217 -0.147 24.873 18.669 1.00 0.00 H new ATOM 0 HB3 CYS A 217 1.538 24.444 18.446 1.00 0.00 H new ATOM 443 N SER A 218 0.787 20.732 18.056 1.00 0.00 N ATOM 444 CA SER A 218 1.484 19.506 17.663 1.00 0.00 C ATOM 445 C SER A 218 1.693 19.436 16.138 1.00 0.00 C ATOM 446 O SER A 218 2.094 18.398 15.615 1.00 0.00 O ATOM 447 CB SER A 218 0.703 18.303 18.211 1.00 0.00 C ATOM 448 OG SER A 218 1.462 17.117 18.103 1.00 0.00 O ATOM 0 H SER A 218 -0.167 20.770 17.698 1.00 0.00 H new ATOM 0 HA SER A 218 2.486 19.496 18.093 1.00 0.00 H new ATOM 0 HB2 SER A 218 0.442 18.479 19.255 1.00 0.00 H new ATOM 0 HB3 SER A 218 -0.233 18.192 17.663 1.00 0.00 H new ATOM 0 HG SER A 218 1.928 17.104 17.241 1.00 0.00 H new ATOM 454 N ILE A 219 1.441 20.556 15.444 1.00 0.00 N ATOM 455 CA ILE A 219 1.637 20.745 14.007 1.00 0.00 C ATOM 456 C ILE A 219 2.637 21.896 13.773 1.00 0.00 C ATOM 457 O ILE A 219 3.414 21.822 12.824 1.00 0.00 O ATOM 458 CB ILE A 219 0.272 21.005 13.316 1.00 0.00 C ATOM 459 CG1 ILE A 219 -0.826 19.959 13.635 1.00 0.00 C ATOM 460 CG2 ILE A 219 0.410 21.138 11.789 1.00 0.00 C ATOM 461 CD1 ILE A 219 -0.546 18.528 13.153 1.00 0.00 C ATOM 0 H ILE A 219 1.077 21.394 15.897 1.00 0.00 H new ATOM 0 HA ILE A 219 2.057 19.842 13.563 1.00 0.00 H new ATOM 0 HB ILE A 219 -0.055 21.953 13.744 1.00 0.00 H new ATOM 0 HG12 ILE A 219 -0.977 19.936 14.714 1.00 0.00 H new ATOM 0 HG13 ILE A 219 -1.762 20.296 13.190 1.00 0.00 H new ATOM 0 HG21 ILE A 219 -0.571 21.319 11.349 1.00 0.00 H new ATOM 0 HG22 ILE A 219 1.072 21.972 11.555 1.00 0.00 H new ATOM 0 HG23 ILE A 219 0.827 20.218 11.380 1.00 0.00 H new ATOM 0 HD11 ILE A 219 -1.379 17.881 13.430 1.00 0.00 H new ATOM 0 HD12 ILE A 219 -0.429 18.525 12.069 1.00 0.00 H new ATOM 0 HD13 ILE A 219 0.369 18.160 13.618 1.00 0.00 H new ATOM 473 N GLU A 220 2.641 22.898 14.677 1.00 0.00 N ATOM 474 CA GLU A 220 3.485 24.097 14.801 1.00 0.00 C ATOM 475 C GLU A 220 3.680 25.008 13.576 1.00 0.00 C ATOM 476 O GLU A 220 4.117 26.139 13.766 1.00 0.00 O ATOM 477 CB GLU A 220 4.824 23.765 15.489 1.00 0.00 C ATOM 478 CG GLU A 220 5.759 22.883 14.647 1.00 0.00 C ATOM 479 CD GLU A 220 7.201 22.945 15.151 1.00 0.00 C ATOM 480 OE1 GLU A 220 7.458 22.355 16.223 1.00 0.00 O ATOM 481 OE2 GLU A 220 8.023 23.582 14.454 1.00 0.00 O ATOM 0 H GLU A 220 1.960 22.878 15.436 1.00 0.00 H new ATOM 0 HA GLU A 220 2.870 24.736 15.434 1.00 0.00 H new ATOM 0 HB2 GLU A 220 5.338 24.696 15.729 1.00 0.00 H new ATOM 0 HB3 GLU A 220 4.620 23.261 16.434 1.00 0.00 H new ATOM 0 HG2 GLU A 220 5.408 21.851 14.674 1.00 0.00 H new ATOM 0 HG3 GLU A 220 5.723 23.205 13.606 1.00 0.00 H new ATOM 488 N TRP A 221 3.327 24.579 12.360 1.00 0.00 N ATOM 489 CA TRP A 221 3.447 25.336 11.129 1.00 0.00 C ATOM 490 C TRP A 221 2.274 25.047 10.201 1.00 0.00 C ATOM 491 O TRP A 221 1.689 23.968 10.235 1.00 0.00 O ATOM 492 CB TRP A 221 4.728 24.906 10.427 1.00 0.00 C ATOM 493 CG TRP A 221 5.978 25.555 10.900 1.00 0.00 C ATOM 494 CD1 TRP A 221 6.982 24.942 11.559 1.00 0.00 C ATOM 495 CD2 TRP A 221 6.398 26.939 10.721 1.00 0.00 C ATOM 496 NE1 TRP A 221 8.012 25.828 11.758 1.00 0.00 N ATOM 497 CE2 TRP A 221 7.728 27.065 11.215 1.00 0.00 C ATOM 498 CE3 TRP A 221 5.804 28.090 10.159 1.00 0.00 C ATOM 499 CZ2 TRP A 221 8.455 28.255 11.090 1.00 0.00 C ATOM 500 CZ3 TRP A 221 6.508 29.307 10.086 1.00 0.00 C ATOM 501 CH2 TRP A 221 7.839 29.386 10.531 1.00 0.00 C ATOM 0 H TRP A 221 2.933 23.650 12.210 1.00 0.00 H new ATOM 0 HA TRP A 221 3.459 26.400 11.366 1.00 0.00 H new ATOM 0 HB2 TRP A 221 4.837 23.827 10.540 1.00 0.00 H new ATOM 0 HB3 TRP A 221 4.619 25.105 9.361 1.00 0.00 H new ATOM 0 HD1 TRP A 221 6.977 23.911 11.881 1.00 0.00 H new ATOM 0 HE1 TRP A 221 8.878 25.601 12.246 1.00 0.00 H new ATOM 0 HE3 TRP A 221 4.794 28.036 9.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 221 9.482 28.303 11.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 221 6.023 30.185 9.686 1.00 0.00 H new ATOM 0 HH2 TRP A 221 8.386 30.313 10.443 1.00 0.00 H new ATOM 512 N PHE A 222 1.954 26.031 9.357 1.00 0.00 N ATOM 513 CA PHE A 222 0.803 26.036 8.466 1.00 0.00 C ATOM 514 C PHE A 222 1.067 26.932 7.257 1.00 0.00 C ATOM 515 O PHE A 222 1.779 27.932 7.356 1.00 0.00 O ATOM 516 CB PHE A 222 -0.442 26.567 9.202 1.00 0.00 C ATOM 517 CG PHE A 222 -0.828 25.792 10.447 1.00 0.00 C ATOM 518 CD1 PHE A 222 -0.206 26.083 11.677 1.00 0.00 C ATOM 519 CD2 PHE A 222 -1.762 24.743 10.367 1.00 0.00 C ATOM 520 CE1 PHE A 222 -0.477 25.300 12.809 1.00 0.00 C ATOM 521 CE2 PHE A 222 -2.064 23.984 11.510 1.00 0.00 C ATOM 522 CZ PHE A 222 -1.420 24.263 12.726 1.00 0.00 C ATOM 0 H PHE A 222 2.516 26.878 9.276 1.00 0.00 H new ATOM 0 HA PHE A 222 0.631 25.011 8.136 1.00 0.00 H new ATOM 0 HB2 PHE A 222 -0.266 27.606 9.479 1.00 0.00 H new ATOM 0 HB3 PHE A 222 -1.285 26.559 8.511 1.00 0.00 H new ATOM 0 HD1 PHE A 222 0.482 26.912 11.749 1.00 0.00 H new ATOM 0 HD2 PHE A 222 -2.247 24.521 9.428 1.00 0.00 H new ATOM 0 HE1 PHE A 222 0.037 25.494 13.739 1.00 0.00 H new ATOM 0 HE2 PHE A 222 -2.791 23.187 11.453 1.00 0.00 H new ATOM 0 HZ PHE A 222 -1.651 23.676 13.603 1.00 0.00 H new ATOM 532 N HIS A 223 0.439 26.598 6.122 1.00 0.00 N ATOM 533 CA HIS A 223 0.411 27.504 4.977 1.00 0.00 C ATOM 534 C HIS A 223 -0.504 28.687 5.276 1.00 0.00 C ATOM 535 O HIS A 223 -1.499 28.561 5.993 1.00 0.00 O ATOM 536 CB HIS A 223 -0.066 26.795 3.697 1.00 0.00 C ATOM 537 CG HIS A 223 0.927 25.872 3.036 1.00 0.00 C ATOM 538 ND1 HIS A 223 1.418 24.664 3.553 1.00 0.00 N ATOM 539 CD2 HIS A 223 1.451 26.073 1.791 1.00 0.00 C ATOM 540 CE1 HIS A 223 2.266 24.208 2.612 1.00 0.00 C ATOM 541 NE2 HIS A 223 2.282 25.014 1.539 1.00 0.00 N ATOM 0 H HIS A 223 -0.051 25.715 5.977 1.00 0.00 H new ATOM 0 HA HIS A 223 1.429 27.853 4.807 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -0.960 26.220 3.937 1.00 0.00 H new ATOM 0 HB3 HIS A 223 -0.360 27.556 2.974 1.00 0.00 H new ATOM 0 HD2 HIS A 223 1.249 26.905 1.133 1.00 0.00 H new ATOM 0 HE1 HIS A 223 2.857 23.309 2.708 1.00 0.00 H new ATOM 0 HE2 HIS A 223 2.819 24.864 0.685 1.00 0.00 H new ATOM 549 N PHE A 224 -0.169 29.828 4.665 1.00 0.00 N ATOM 550 CA PHE A 224 -1.064 30.983 4.609 1.00 0.00 C ATOM 551 C PHE A 224 -2.411 30.554 4.046 1.00 0.00 C ATOM 552 O PHE A 224 -3.435 30.778 4.674 1.00 0.00 O ATOM 553 CB PHE A 224 -0.480 32.094 3.719 1.00 0.00 C ATOM 554 CG PHE A 224 0.690 32.908 4.236 1.00 0.00 C ATOM 555 CD1 PHE A 224 1.316 32.642 5.470 1.00 0.00 C ATOM 556 CD2 PHE A 224 1.187 33.939 3.413 1.00 0.00 C ATOM 557 CE1 PHE A 224 2.466 33.357 5.836 1.00 0.00 C ATOM 558 CE2 PHE A 224 2.347 34.641 3.776 1.00 0.00 C ATOM 559 CZ PHE A 224 3.010 34.313 4.967 1.00 0.00 C ATOM 0 H PHE A 224 0.726 29.974 4.198 1.00 0.00 H new ATOM 0 HA PHE A 224 -1.182 31.372 5.620 1.00 0.00 H new ATOM 0 HB2 PHE A 224 -0.173 31.636 2.779 1.00 0.00 H new ATOM 0 HB3 PHE A 224 -1.287 32.788 3.486 1.00 0.00 H new ATOM 0 HD1 PHE A 224 0.912 31.890 6.132 1.00 0.00 H new ATOM 0 HD2 PHE A 224 0.672 34.190 2.498 1.00 0.00 H new ATOM 0 HE1 PHE A 224 2.934 33.170 6.791 1.00 0.00 H new ATOM 0 HE2 PHE A 224 2.726 35.429 3.142 1.00 0.00 H new ATOM 0 HZ PHE A 224 3.942 34.798 5.216 1.00 0.00 H new ATOM 569 N ALA A 225 -2.401 29.877 2.900 1.00 0.00 N ATOM 570 CA ALA A 225 -3.604 29.446 2.218 1.00 0.00 C ATOM 571 C ALA A 225 -4.330 28.293 2.928 1.00 0.00 C ATOM 572 O ALA A 225 -5.486 28.038 2.593 1.00 0.00 O ATOM 573 CB ALA A 225 -3.248 29.065 0.777 1.00 0.00 C ATOM 0 H ALA A 225 -1.542 29.612 2.418 1.00 0.00 H new ATOM 0 HA ALA A 225 -4.306 30.280 2.227 1.00 0.00 H new ATOM 0 HB1 ALA A 225 -4.147 28.739 0.254 1.00 0.00 H new ATOM 0 HB2 ALA A 225 -2.825 29.930 0.266 1.00 0.00 H new ATOM 0 HB3 ALA A 225 -2.519 28.255 0.784 1.00 0.00 H new ATOM 579 N CYS A 226 -3.708 27.617 3.915 1.00 0.00 N ATOM 580 CA CYS A 226 -4.376 26.629 4.736 1.00 0.00 C ATOM 581 C CYS A 226 -5.283 27.272 5.803 1.00 0.00 C ATOM 582 O CYS A 226 -6.112 26.563 6.368 1.00 0.00 O ATOM 583 CB CYS A 226 -3.291 25.759 5.366 1.00 0.00 C ATOM 584 SG CYS A 226 -2.917 24.335 4.298 1.00 0.00 S ATOM 0 H CYS A 226 -2.726 27.753 4.153 1.00 0.00 H new ATOM 0 HA CYS A 226 -5.042 26.024 4.121 1.00 0.00 H new ATOM 0 HB2 CYS A 226 -2.389 26.350 5.524 1.00 0.00 H new ATOM 0 HB3 CYS A 226 -3.619 25.410 6.345 1.00 0.00 H new ATOM 0 HG CYS A 226 -1.629 24.200 4.190 1.00 0.00 H new ATOM 590 N VAL A 227 -5.172 28.594 6.031 1.00 0.00 N ATOM 591 CA VAL A 227 -6.059 29.405 6.872 1.00 0.00 C ATOM 592 C VAL A 227 -6.804 30.479 6.063 1.00 0.00 C ATOM 593 O VAL A 227 -7.793 31.043 6.531 1.00 0.00 O ATOM 594 CB VAL A 227 -5.258 29.997 8.055 1.00 0.00 C ATOM 595 CG1 VAL A 227 -4.243 31.074 7.649 1.00 0.00 C ATOM 596 CG2 VAL A 227 -6.167 30.542 9.168 1.00 0.00 C ATOM 0 H VAL A 227 -4.425 29.148 5.612 1.00 0.00 H new ATOM 0 HA VAL A 227 -6.837 28.760 7.280 1.00 0.00 H new ATOM 0 HB VAL A 227 -4.693 29.148 8.440 1.00 0.00 H new ATOM 0 HG11 VAL A 227 -3.724 31.437 8.536 1.00 0.00 H new ATOM 0 HG12 VAL A 227 -3.520 30.648 6.954 1.00 0.00 H new ATOM 0 HG13 VAL A 227 -4.764 31.902 7.169 1.00 0.00 H new ATOM 0 HG21 VAL A 227 -5.554 30.946 9.974 1.00 0.00 H new ATOM 0 HG22 VAL A 227 -6.802 31.331 8.765 1.00 0.00 H new ATOM 0 HG23 VAL A 227 -6.791 29.736 9.556 1.00 0.00 H new ATOM 606 N GLY A 228 -6.324 30.735 4.843 1.00 0.00 N ATOM 607 CA GLY A 228 -6.869 31.702 3.898 1.00 0.00 C ATOM 608 C GLY A 228 -6.180 33.071 3.952 1.00 0.00 C ATOM 609 O GLY A 228 -6.788 34.052 3.525 1.00 0.00 O ATOM 0 H GLY A 228 -5.507 30.249 4.474 1.00 0.00 H new ATOM 0 HA2 GLY A 228 -6.781 31.300 2.889 1.00 0.00 H new ATOM 0 HA3 GLY A 228 -7.933 31.832 4.097 1.00 0.00 H new ATOM 613 N LEU A 229 -4.950 33.161 4.489 1.00 0.00 N ATOM 614 CA LEU A 229 -4.185 34.404 4.534 1.00 0.00 C ATOM 615 C LEU A 229 -3.684 34.805 3.138 1.00 0.00 C ATOM 616 O LEU A 229 -3.525 33.966 2.250 1.00 0.00 O ATOM 617 CB LEU A 229 -3.004 34.288 5.520 1.00 0.00 C ATOM 618 CG LEU A 229 -3.358 34.542 6.999 1.00 0.00 C ATOM 619 CD1 LEU A 229 -2.149 34.163 7.867 1.00 0.00 C ATOM 620 CD2 LEU A 229 -3.746 36.002 7.281 1.00 0.00 C ATOM 0 H LEU A 229 -4.463 32.366 4.904 1.00 0.00 H new ATOM 0 HA LEU A 229 -4.854 35.188 4.888 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -2.574 33.290 5.432 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -2.231 34.996 5.221 1.00 0.00 H new ATOM 0 HG LEU A 229 -4.227 33.930 7.238 1.00 0.00 H new ATOM 0 HD11 LEU A 229 -2.386 34.338 8.917 1.00 0.00 H new ATOM 0 HD12 LEU A 229 -1.911 33.110 7.719 1.00 0.00 H new ATOM 0 HD13 LEU A 229 -1.291 34.772 7.582 1.00 0.00 H new ATOM 0 HD21 LEU A 229 -3.984 36.117 8.338 1.00 0.00 H new ATOM 0 HD22 LEU A 229 -2.913 36.656 7.023 1.00 0.00 H new ATOM 0 HD23 LEU A 229 -4.616 36.269 6.682 1.00 0.00 H new ATOM 632 N THR A 230 -3.392 36.104 2.993 1.00 0.00 N ATOM 633 CA THR A 230 -2.940 36.750 1.755 1.00 0.00 C ATOM 634 C THR A 230 -1.702 37.626 2.017 1.00 0.00 C ATOM 635 O THR A 230 -0.887 37.815 1.115 1.00 0.00 O ATOM 636 CB THR A 230 -4.103 37.577 1.166 1.00 0.00 C ATOM 637 OG1 THR A 230 -5.222 36.745 0.934 1.00 0.00 O ATOM 638 CG2 THR A 230 -3.756 38.264 -0.160 1.00 0.00 C ATOM 0 H THR A 230 -3.468 36.761 3.769 1.00 0.00 H new ATOM 0 HA THR A 230 -2.646 35.989 1.032 1.00 0.00 H new ATOM 0 HB THR A 230 -4.318 38.349 1.905 1.00 0.00 H new ATOM 0 HG1 THR A 230 -5.955 37.279 0.562 1.00 0.00 H new ATOM 0 HG21 THR A 230 -4.619 38.827 -0.515 1.00 0.00 H new ATOM 0 HG22 THR A 230 -2.917 38.943 -0.009 1.00 0.00 H new ATOM 0 HG23 THR A 230 -3.485 37.511 -0.900 1.00 0.00 H new ATOM 646 N THR A 231 -1.528 38.099 3.260 1.00 0.00 N ATOM 647 CA THR A 231 -0.349 38.808 3.757 1.00 0.00 C ATOM 648 C THR A 231 -0.039 38.295 5.168 1.00 0.00 C ATOM 649 O THR A 231 -0.942 37.864 5.887 1.00 0.00 O ATOM 650 CB THR A 231 -0.574 40.335 3.773 1.00 0.00 C ATOM 651 OG1 THR A 231 -1.710 40.674 4.544 1.00 0.00 O ATOM 652 CG2 THR A 231 -0.738 40.926 2.368 1.00 0.00 C ATOM 0 H THR A 231 -2.244 37.990 3.978 1.00 0.00 H new ATOM 0 HA THR A 231 0.494 38.617 3.093 1.00 0.00 H new ATOM 0 HB THR A 231 0.323 40.762 4.221 1.00 0.00 H new ATOM 0 HG1 THR A 231 -1.830 41.647 4.540 1.00 0.00 H new ATOM 0 HG21 THR A 231 -0.893 42.002 2.442 1.00 0.00 H new ATOM 0 HG22 THR A 231 0.160 40.728 1.783 1.00 0.00 H new ATOM 0 HG23 THR A 231 -1.598 40.468 1.879 1.00 0.00 H new ATOM 660 N LYS A 232 1.242 38.327 5.558 1.00 0.00 N ATOM 661 CA LYS A 232 1.704 37.763 6.823 1.00 0.00 C ATOM 662 C LYS A 232 1.412 38.727 7.990 1.00 0.00 C ATOM 663 O LYS A 232 1.957 39.832 7.991 1.00 0.00 O ATOM 664 CB LYS A 232 3.210 37.461 6.719 1.00 0.00 C ATOM 665 CG LYS A 232 3.689 36.638 7.924 1.00 0.00 C ATOM 666 CD LYS A 232 5.155 36.202 7.793 1.00 0.00 C ATOM 667 CE LYS A 232 5.665 35.549 9.083 1.00 0.00 C ATOM 668 NZ LYS A 232 4.936 34.310 9.417 1.00 0.00 N ATOM 0 H LYS A 232 1.985 38.747 5.000 1.00 0.00 H new ATOM 0 HA LYS A 232 1.167 36.836 7.024 1.00 0.00 H new ATOM 0 HB2 LYS A 232 3.413 36.915 5.797 1.00 0.00 H new ATOM 0 HB3 LYS A 232 3.769 38.395 6.666 1.00 0.00 H new ATOM 0 HG2 LYS A 232 3.568 37.227 8.833 1.00 0.00 H new ATOM 0 HG3 LYS A 232 3.059 35.755 8.030 1.00 0.00 H new ATOM 0 HD2 LYS A 232 5.254 35.500 6.965 1.00 0.00 H new ATOM 0 HD3 LYS A 232 5.773 37.067 7.553 1.00 0.00 H new ATOM 0 HE2 LYS A 232 6.726 35.325 8.978 1.00 0.00 H new ATOM 0 HE3 LYS A 232 5.569 36.256 9.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 5.341 33.890 10.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 3.933 34.530 9.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 5.020 33.635 8.630 1.00 0.00 H new ATOM 682 N PRO A 233 0.609 38.333 9.002 1.00 0.00 N ATOM 683 CA PRO A 233 0.461 39.094 10.241 1.00 0.00 C ATOM 684 C PRO A 233 1.686 38.885 11.148 1.00 0.00 C ATOM 685 O PRO A 233 2.465 37.950 10.950 1.00 0.00 O ATOM 686 CB PRO A 233 -0.819 38.550 10.883 1.00 0.00 C ATOM 687 CG PRO A 233 -0.814 37.082 10.466 1.00 0.00 C ATOM 688 CD PRO A 233 -0.190 37.115 9.070 1.00 0.00 C ATOM 0 HA PRO A 233 0.395 40.169 10.070 1.00 0.00 H new ATOM 0 HB2 PRO A 233 -0.806 38.662 11.967 1.00 0.00 H new ATOM 0 HB3 PRO A 233 -1.705 39.070 10.520 1.00 0.00 H new ATOM 0 HG2 PRO A 233 -0.230 36.471 11.153 1.00 0.00 H new ATOM 0 HG3 PRO A 233 -1.821 36.666 10.447 1.00 0.00 H new ATOM 0 HD2 PRO A 233 0.430 36.235 8.901 1.00 0.00 H new ATOM 0 HD3 PRO A 233 -0.962 37.114 8.300 1.00 0.00 H new ATOM 696 N ARG A 234 1.832 39.733 12.176 1.00 0.00 N ATOM 697 CA ARG A 234 2.920 39.652 13.142 1.00 0.00 C ATOM 698 C ARG A 234 2.364 39.899 14.540 1.00 0.00 C ATOM 699 O ARG A 234 1.609 40.839 14.789 1.00 0.00 O ATOM 700 CB ARG A 234 4.038 40.633 12.773 1.00 0.00 C ATOM 701 CG ARG A 234 5.319 40.374 13.580 1.00 0.00 C ATOM 702 CD ARG A 234 6.463 41.260 13.077 1.00 0.00 C ATOM 703 NE ARG A 234 7.715 40.969 13.793 1.00 0.00 N ATOM 704 CZ ARG A 234 8.946 41.314 13.387 1.00 0.00 C ATOM 705 NH1 ARG A 234 9.150 41.997 12.258 1.00 0.00 N ATOM 706 NH2 ARG A 234 9.999 40.967 14.127 1.00 0.00 N ATOM 0 H ARG A 234 1.186 40.502 12.356 1.00 0.00 H new ATOM 0 HA ARG A 234 3.363 38.656 13.127 1.00 0.00 H new ATOM 0 HB2 ARG A 234 4.257 40.550 11.708 1.00 0.00 H new ATOM 0 HB3 ARG A 234 3.698 41.653 12.950 1.00 0.00 H new ATOM 0 HG2 ARG A 234 5.136 40.572 14.636 1.00 0.00 H new ATOM 0 HG3 ARG A 234 5.601 39.324 13.497 1.00 0.00 H new ATOM 0 HD2 ARG A 234 6.607 41.101 12.008 1.00 0.00 H new ATOM 0 HD3 ARG A 234 6.200 42.309 13.211 1.00 0.00 H new ATOM 0 HE ARG A 234 7.640 40.461 14.674 1.00 0.00 H new ATOM 0 HH11 ARG A 234 8.357 42.271 11.677 1.00 0.00 H new ATOM 0 HH12 ARG A 234 10.098 42.245 11.976 1.00 0.00 H new ATOM 0 HH21 ARG A 234 9.864 40.444 14.992 1.00 0.00 H new ATOM 0 HH22 ARG A 234 10.940 41.224 13.828 1.00 0.00 H new ATOM 720 N GLY A 235 2.756 38.983 15.420 1.00 0.00 N ATOM 721 CA GLY A 235 2.237 38.790 16.766 1.00 0.00 C ATOM 722 C GLY A 235 1.835 37.324 16.951 1.00 0.00 C ATOM 723 O GLY A 235 2.185 36.465 16.137 1.00 0.00 O ATOM 0 H GLY A 235 3.492 38.314 15.196 1.00 0.00 H new ATOM 0 HA2 GLY A 235 2.992 39.067 17.502 1.00 0.00 H new ATOM 0 HA3 GLY A 235 1.377 39.438 16.932 1.00 0.00 H new ATOM 727 N LYS A 236 1.077 37.040 18.018 1.00 0.00 N ATOM 728 CA LYS A 236 0.436 35.753 18.214 1.00 0.00 C ATOM 729 C LYS A 236 -0.676 35.568 17.185 1.00 0.00 C ATOM 730 O LYS A 236 -1.395 36.497 16.814 1.00 0.00 O ATOM 731 CB LYS A 236 -0.040 35.603 19.667 1.00 0.00 C ATOM 732 CG LYS A 236 -1.229 36.458 20.150 1.00 0.00 C ATOM 733 CD LYS A 236 -2.637 35.888 19.876 1.00 0.00 C ATOM 734 CE LYS A 236 -2.836 34.405 20.229 1.00 0.00 C ATOM 735 NZ LYS A 236 -2.428 34.088 21.612 1.00 0.00 N ATOM 0 H LYS A 236 0.896 37.707 18.768 1.00 0.00 H new ATOM 0 HA LYS A 236 1.154 34.949 18.050 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -0.301 34.556 19.823 1.00 0.00 H new ATOM 0 HB3 LYS A 236 0.808 35.820 20.316 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -1.125 36.612 21.224 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -1.159 37.438 19.679 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -3.363 36.477 20.437 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -2.865 36.025 18.819 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -3.885 34.142 20.095 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -2.262 33.791 19.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -2.956 33.257 21.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -1.409 33.883 21.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -2.632 34.900 22.229 1.00 0.00 H new ATOM 749 N TRP A 237 -0.778 34.323 16.740 1.00 0.00 N ATOM 750 CA TRP A 237 -1.686 33.826 15.731 1.00 0.00 C ATOM 751 C TRP A 237 -2.052 32.386 16.086 1.00 0.00 C ATOM 752 O TRP A 237 -1.218 31.630 16.587 1.00 0.00 O ATOM 753 CB TRP A 237 -0.958 33.896 14.386 1.00 0.00 C ATOM 754 CG TRP A 237 -1.637 33.259 13.219 1.00 0.00 C ATOM 755 CD1 TRP A 237 -2.429 33.858 12.310 1.00 0.00 C ATOM 756 CD2 TRP A 237 -1.565 31.868 12.813 1.00 0.00 C ATOM 757 NE1 TRP A 237 -2.867 32.929 11.382 1.00 0.00 N ATOM 758 CE2 TRP A 237 -2.354 31.674 11.646 1.00 0.00 C ATOM 759 CE3 TRP A 237 -0.900 30.754 13.346 1.00 0.00 C ATOM 760 CZ2 TRP A 237 -2.464 30.416 11.032 1.00 0.00 C ATOM 761 CZ3 TRP A 237 -1.018 29.486 12.757 1.00 0.00 C ATOM 762 CH2 TRP A 237 -1.784 29.320 11.589 1.00 0.00 C ATOM 0 H TRP A 237 -0.180 33.583 17.107 1.00 0.00 H new ATOM 0 HA TRP A 237 -2.603 34.413 15.676 1.00 0.00 H new ATOM 0 HB2 TRP A 237 -0.786 34.945 14.147 1.00 0.00 H new ATOM 0 HB3 TRP A 237 0.021 33.431 14.505 1.00 0.00 H new ATOM 0 HD1 TRP A 237 -2.685 34.907 12.305 1.00 0.00 H new ATOM 0 HE1 TRP A 237 -3.489 33.144 10.603 1.00 0.00 H new ATOM 0 HE3 TRP A 237 -0.286 30.874 14.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 237 -3.064 30.292 10.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 237 -0.520 28.637 13.201 1.00 0.00 H new ATOM 0 HH2 TRP A 237 -1.849 28.349 11.120 1.00 0.00 H new ATOM 773 N PHE A 238 -3.293 32.011 15.769 1.00 0.00 N ATOM 774 CA PHE A 238 -3.834 30.679 15.998 1.00 0.00 C ATOM 775 C PHE A 238 -4.356 30.089 14.688 1.00 0.00 C ATOM 776 O PHE A 238 -5.005 30.770 13.893 1.00 0.00 O ATOM 777 CB PHE A 238 -4.931 30.724 17.077 1.00 0.00 C ATOM 778 CG PHE A 238 -4.525 30.970 18.531 1.00 0.00 C ATOM 779 CD1 PHE A 238 -3.232 30.678 19.014 1.00 0.00 C ATOM 780 CD2 PHE A 238 -5.501 31.421 19.445 1.00 0.00 C ATOM 781 CE1 PHE A 238 -2.929 30.814 20.379 1.00 0.00 C ATOM 782 CE2 PHE A 238 -5.202 31.542 20.814 1.00 0.00 C ATOM 783 CZ PHE A 238 -3.919 31.220 21.284 1.00 0.00 C ATOM 0 H PHE A 238 -3.963 32.646 15.335 1.00 0.00 H new ATOM 0 HA PHE A 238 -3.039 30.029 16.363 1.00 0.00 H new ATOM 0 HB2 PHE A 238 -5.639 31.504 16.796 1.00 0.00 H new ATOM 0 HB3 PHE A 238 -5.469 29.777 17.040 1.00 0.00 H new ATOM 0 HD1 PHE A 238 -2.467 30.346 18.327 1.00 0.00 H new ATOM 0 HD2 PHE A 238 -6.488 31.676 19.089 1.00 0.00 H new ATOM 0 HE1 PHE A 238 -1.930 30.605 20.732 1.00 0.00 H new ATOM 0 HE2 PHE A 238 -5.960 31.883 21.504 1.00 0.00 H new ATOM 0 HZ PHE A 238 -3.696 31.285 22.339 1.00 0.00 H new ATOM 793 N CYS A 239 -4.046 28.801 14.487 1.00 0.00 N ATOM 794 CA CYS A 239 -4.380 28.033 13.294 1.00 0.00 C ATOM 795 C CYS A 239 -5.894 27.766 13.166 1.00 0.00 C ATOM 796 O CYS A 239 -6.639 28.025 14.116 1.00 0.00 O ATOM 797 CB CYS A 239 -3.492 26.780 13.270 1.00 0.00 C ATOM 798 SG CYS A 239 -4.241 25.356 14.099 1.00 0.00 S ATOM 0 H CYS A 239 -3.537 28.251 15.180 1.00 0.00 H new ATOM 0 HA CYS A 239 -4.163 28.610 12.395 1.00 0.00 H new ATOM 0 HB2 CYS A 239 -3.275 26.516 12.235 1.00 0.00 H new ATOM 0 HB3 CYS A 239 -2.539 27.009 13.747 1.00 0.00 H new ATOM 0 HG CYS A 239 -3.988 25.413 15.373 1.00 0.00 H new ATOM 804 N PRO A 240 -6.381 27.249 12.018 1.00 0.00 N ATOM 805 CA PRO A 240 -7.810 27.062 11.789 1.00 0.00 C ATOM 806 C PRO A 240 -8.429 25.880 12.553 1.00 0.00 C ATOM 807 O PRO A 240 -9.632 25.651 12.445 1.00 0.00 O ATOM 808 CB PRO A 240 -7.972 26.912 10.275 1.00 0.00 C ATOM 809 CG PRO A 240 -6.648 26.284 9.857 1.00 0.00 C ATOM 810 CD PRO A 240 -5.637 26.909 10.812 1.00 0.00 C ATOM 0 HA PRO A 240 -8.357 27.920 12.179 1.00 0.00 H new ATOM 0 HB2 PRO A 240 -8.820 26.277 10.020 1.00 0.00 H new ATOM 0 HB3 PRO A 240 -8.136 27.873 9.788 1.00 0.00 H new ATOM 0 HG2 PRO A 240 -6.671 25.198 9.952 1.00 0.00 H new ATOM 0 HG3 PRO A 240 -6.409 26.508 8.817 1.00 0.00 H new ATOM 0 HD2 PRO A 240 -4.829 26.212 11.035 1.00 0.00 H new ATOM 0 HD3 PRO A 240 -5.181 27.796 10.372 1.00 0.00 H new ATOM 818 N ARG A 241 -7.618 25.171 13.350 1.00 0.00 N ATOM 819 CA ARG A 241 -8.013 24.113 14.266 1.00 0.00 C ATOM 820 C ARG A 241 -7.683 24.495 15.721 1.00 0.00 C ATOM 821 O ARG A 241 -7.647 23.631 16.596 1.00 0.00 O ATOM 822 CB ARG A 241 -7.377 22.781 13.839 1.00 0.00 C ATOM 823 CG ARG A 241 -7.803 22.364 12.418 1.00 0.00 C ATOM 824 CD ARG A 241 -7.308 20.961 12.056 1.00 0.00 C ATOM 825 NE ARG A 241 -7.965 19.930 12.872 1.00 0.00 N ATOM 826 CZ ARG A 241 -7.627 18.634 12.911 1.00 0.00 C ATOM 827 NH1 ARG A 241 -6.633 18.144 12.165 1.00 0.00 N ATOM 828 NH2 ARG A 241 -8.298 17.809 13.715 1.00 0.00 N ATOM 0 H ARG A 241 -6.612 25.337 13.367 1.00 0.00 H new ATOM 0 HA ARG A 241 -9.094 23.982 14.222 1.00 0.00 H new ATOM 0 HB2 ARG A 241 -6.291 22.869 13.880 1.00 0.00 H new ATOM 0 HB3 ARG A 241 -7.661 22.001 14.546 1.00 0.00 H new ATOM 0 HG2 ARG A 241 -8.890 22.395 12.342 1.00 0.00 H new ATOM 0 HG3 ARG A 241 -7.413 23.083 11.698 1.00 0.00 H new ATOM 0 HD2 ARG A 241 -7.500 20.768 11.001 1.00 0.00 H new ATOM 0 HD3 ARG A 241 -6.229 20.907 12.199 1.00 0.00 H new ATOM 0 HE ARG A 241 -8.745 20.226 13.459 1.00 0.00 H new ATOM 0 HH11 ARG A 241 -6.109 18.761 11.545 1.00 0.00 H new ATOM 0 HH12 ARG A 241 -6.398 17.153 12.216 1.00 0.00 H new ATOM 0 HH21 ARG A 241 -9.060 18.166 14.292 1.00 0.00 H new ATOM 0 HH22 ARG A 241 -8.050 16.820 13.753 1.00 0.00 H new ATOM 842 N CYS A 242 -7.436 25.791 15.972 1.00 0.00 N ATOM 843 CA CYS A 242 -7.056 26.361 17.247 1.00 0.00 C ATOM 844 C CYS A 242 -7.842 27.638 17.585 1.00 0.00 C ATOM 845 O CYS A 242 -7.854 28.027 18.752 1.00 0.00 O ATOM 846 CB CYS A 242 -5.561 26.685 17.188 1.00 0.00 C ATOM 847 SG CYS A 242 -4.533 25.210 17.460 1.00 0.00 S ATOM 0 H CYS A 242 -7.504 26.498 15.240 1.00 0.00 H new ATOM 0 HA CYS A 242 -7.283 25.636 18.029 1.00 0.00 H new ATOM 0 HB2 CYS A 242 -5.322 27.119 16.217 1.00 0.00 H new ATOM 0 HB3 CYS A 242 -5.323 27.437 17.941 1.00 0.00 H new ATOM 0 HG CYS A 242 -5.246 24.141 17.260 1.00 0.00 H new ATOM 853 N SER A 243 -8.496 28.280 16.601 1.00 0.00 N ATOM 854 CA SER A 243 -9.348 29.449 16.831 1.00 0.00 C ATOM 855 C SER A 243 -10.434 29.610 15.764 1.00 0.00 C ATOM 856 O SER A 243 -11.575 29.917 16.108 1.00 0.00 O ATOM 857 CB SER A 243 -8.467 30.703 16.874 1.00 0.00 C ATOM 858 OG SER A 243 -9.229 31.850 17.184 1.00 0.00 O ATOM 0 H SER A 243 -8.445 27.998 15.622 1.00 0.00 H new ATOM 0 HA SER A 243 -9.862 29.305 17.781 1.00 0.00 H new ATOM 0 HB2 SER A 243 -7.681 30.573 17.618 1.00 0.00 H new ATOM 0 HB3 SER A 243 -7.975 30.839 15.911 1.00 0.00 H new ATOM 0 HG SER A 243 -8.643 32.635 17.207 1.00 0.00 H new ATOM 864 N GLN A 244 -10.098 29.375 14.486 1.00 0.00 N ATOM 865 CA GLN A 244 -11.058 29.488 13.378 1.00 0.00 C ATOM 866 C GLN A 244 -12.042 28.302 13.337 1.00 0.00 C ATOM 867 O GLN A 244 -12.995 28.323 12.559 1.00 0.00 O ATOM 868 CB GLN A 244 -10.313 29.642 12.040 1.00 0.00 C ATOM 869 CG GLN A 244 -11.043 30.552 11.041 1.00 0.00 C ATOM 870 CD GLN A 244 -10.273 30.670 9.722 1.00 0.00 C ATOM 871 OE1 GLN A 244 -9.928 29.669 9.102 1.00 0.00 O ATOM 872 NE2 GLN A 244 -9.989 31.894 9.278 1.00 0.00 N ATOM 0 H GLN A 244 -9.159 29.103 14.193 1.00 0.00 H new ATOM 0 HA GLN A 244 -11.656 30.383 13.549 1.00 0.00 H new ATOM 0 HB2 GLN A 244 -9.319 30.046 12.230 1.00 0.00 H new ATOM 0 HB3 GLN A 244 -10.177 28.658 11.592 1.00 0.00 H new ATOM 0 HG2 GLN A 244 -12.040 30.156 10.847 1.00 0.00 H new ATOM 0 HG3 GLN A 244 -11.173 31.542 11.477 1.00 0.00 H new ATOM 0 HE21 GLN A 244 -10.286 32.711 9.811 1.00 0.00 H new ATOM 0 HE22 GLN A 244 -9.474 32.013 8.405 1.00 0.00 H new ATOM 881 N GLU A 245 -11.832 27.290 14.195 1.00 0.00 N ATOM 882 CA GLU A 245 -12.717 26.145 14.414 1.00 0.00 C ATOM 883 C GLU A 245 -14.017 26.530 15.161 1.00 0.00 C ATOM 884 O GLU A 245 -14.823 25.658 15.485 1.00 0.00 O ATOM 885 CB GLU A 245 -11.906 25.069 15.165 1.00 0.00 C ATOM 886 CG GLU A 245 -12.355 23.635 14.849 1.00 0.00 C ATOM 887 CD GLU A 245 -11.360 22.605 15.395 1.00 0.00 C ATOM 888 OE1 GLU A 245 -11.276 22.494 16.638 1.00 0.00 O ATOM 889 OE2 GLU A 245 -10.691 21.948 14.564 1.00 0.00 O ATOM 0 H GLU A 245 -10.998 27.251 14.781 1.00 0.00 H new ATOM 0 HA GLU A 245 -13.057 25.755 13.455 1.00 0.00 H new ATOM 0 HB2 GLU A 245 -10.852 25.176 14.910 1.00 0.00 H new ATOM 0 HB3 GLU A 245 -11.994 25.241 16.238 1.00 0.00 H new ATOM 0 HG2 GLU A 245 -13.340 23.457 15.281 1.00 0.00 H new ATOM 0 HG3 GLU A 245 -12.453 23.512 13.770 1.00 0.00 H new ATOM 896 N ARG A 246 -14.223 27.831 15.430 1.00 0.00 N ATOM 897 CA ARG A 246 -15.371 28.410 16.124 1.00 0.00 C ATOM 898 C ARG A 246 -15.729 29.762 15.482 1.00 0.00 C ATOM 899 O ARG A 246 -14.874 30.431 14.900 1.00 0.00 O ATOM 900 CB ARG A 246 -15.010 28.530 17.619 1.00 0.00 C ATOM 901 CG ARG A 246 -16.076 29.246 18.466 1.00 0.00 C ATOM 902 CD ARG A 246 -15.824 29.116 19.973 1.00 0.00 C ATOM 903 NE ARG A 246 -16.098 27.755 20.465 1.00 0.00 N ATOM 904 CZ ARG A 246 -17.308 27.256 20.766 1.00 0.00 C ATOM 905 NH1 ARG A 246 -18.420 27.989 20.661 1.00 0.00 N ATOM 906 NH2 ARG A 246 -17.408 25.993 21.179 1.00 0.00 N ATOM 0 H ARG A 246 -13.549 28.543 15.149 1.00 0.00 H new ATOM 0 HA ARG A 246 -16.256 27.780 16.037 1.00 0.00 H new ATOM 0 HB2 ARG A 246 -14.850 27.531 18.025 1.00 0.00 H new ATOM 0 HB3 ARG A 246 -14.066 29.067 17.712 1.00 0.00 H new ATOM 0 HG2 ARG A 246 -16.099 30.302 18.196 1.00 0.00 H new ATOM 0 HG3 ARG A 246 -17.057 28.835 18.230 1.00 0.00 H new ATOM 0 HD2 ARG A 246 -14.789 29.378 20.191 1.00 0.00 H new ATOM 0 HD3 ARG A 246 -16.453 29.828 20.508 1.00 0.00 H new ATOM 0 HE ARG A 246 -15.297 27.136 20.588 1.00 0.00 H new ATOM 0 HH11 ARG A 246 -18.365 28.957 20.344 1.00 0.00 H new ATOM 0 HH12 ARG A 246 -19.324 27.581 20.897 1.00 0.00 H new ATOM 0 HH21 ARG A 246 -16.571 25.416 21.264 1.00 0.00 H new ATOM 0 HH22 ARG A 246 -18.322 25.603 21.411 1.00 0.00 H new ATOM 920 N LYS A 247 -17.004 30.159 15.616 1.00 0.00 N ATOM 921 CA LYS A 247 -17.592 31.370 15.035 1.00 0.00 C ATOM 922 C LYS A 247 -18.400 32.141 16.101 1.00 0.00 C ATOM 923 O LYS A 247 -19.491 32.646 15.836 1.00 0.00 O ATOM 924 CB LYS A 247 -18.409 30.970 13.789 1.00 0.00 C ATOM 925 CG LYS A 247 -18.672 32.153 12.843 1.00 0.00 C ATOM 926 CD LYS A 247 -19.542 31.719 11.654 1.00 0.00 C ATOM 927 CE LYS A 247 -19.826 32.886 10.703 1.00 0.00 C ATOM 928 NZ LYS A 247 -20.702 33.905 11.315 1.00 0.00 N ATOM 0 H LYS A 247 -17.680 29.619 16.156 1.00 0.00 H new ATOM 0 HA LYS A 247 -16.819 32.064 14.704 1.00 0.00 H new ATOM 0 HB2 LYS A 247 -17.877 30.189 13.247 1.00 0.00 H new ATOM 0 HB3 LYS A 247 -19.362 30.546 14.106 1.00 0.00 H new ATOM 0 HG2 LYS A 247 -19.168 32.957 13.388 1.00 0.00 H new ATOM 0 HG3 LYS A 247 -17.725 32.551 12.480 1.00 0.00 H new ATOM 0 HD2 LYS A 247 -19.040 30.919 11.109 1.00 0.00 H new ATOM 0 HD3 LYS A 247 -20.484 31.312 12.022 1.00 0.00 H new ATOM 0 HE2 LYS A 247 -18.884 33.349 10.408 1.00 0.00 H new ATOM 0 HE3 LYS A 247 -20.293 32.506 9.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 247 -20.935 34.632 10.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 247 -21.577 33.454 11.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 247 -20.211 34.348 12.118 1.00 0.00 H new ATOM 942 N LYS A 248 -17.865 32.199 17.329 1.00 0.00 N ATOM 943 CA LYS A 248 -18.431 32.924 18.464 1.00 0.00 C ATOM 944 C LYS A 248 -17.284 33.385 19.369 1.00 0.00 C ATOM 945 O LYS A 248 -16.435 32.574 19.741 1.00 0.00 O ATOM 946 CB LYS A 248 -19.415 32.012 19.218 1.00 0.00 C ATOM 947 CG LYS A 248 -20.172 32.773 20.318 1.00 0.00 C ATOM 948 CD LYS A 248 -21.188 31.862 21.023 1.00 0.00 C ATOM 949 CE LYS A 248 -22.041 32.630 22.040 1.00 0.00 C ATOM 950 NZ LYS A 248 -21.245 33.129 23.178 1.00 0.00 N ATOM 0 H LYS A 248 -16.994 31.723 17.562 1.00 0.00 H new ATOM 0 HA LYS A 248 -18.984 33.801 18.126 1.00 0.00 H new ATOM 0 HB2 LYS A 248 -20.129 31.587 18.513 1.00 0.00 H new ATOM 0 HB3 LYS A 248 -18.871 31.178 19.662 1.00 0.00 H new ATOM 0 HG2 LYS A 248 -19.463 33.165 21.047 1.00 0.00 H new ATOM 0 HG3 LYS A 248 -20.687 33.629 19.883 1.00 0.00 H new ATOM 0 HD2 LYS A 248 -21.838 31.401 20.280 1.00 0.00 H new ATOM 0 HD3 LYS A 248 -20.660 31.054 21.530 1.00 0.00 H new ATOM 0 HE2 LYS A 248 -22.526 33.470 21.543 1.00 0.00 H new ATOM 0 HE3 LYS A 248 -22.833 31.979 22.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 248 -21.868 33.626 23.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 248 -20.789 32.328 23.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 248 -20.516 33.785 22.831 1.00 0.00 H new ATOM 964 N LYS A 249 -17.300 34.679 19.724 1.00 0.00 N ATOM 965 CA LYS A 249 -16.226 35.411 20.402 1.00 0.00 C ATOM 966 C LYS A 249 -14.859 35.147 19.746 1.00 0.00 C ATOM 967 O LYS A 249 -14.647 35.739 18.666 1.00 0.00 O ATOM 968 CB LYS A 249 -16.279 35.150 21.920 1.00 0.00 C ATOM 969 CG LYS A 249 -15.373 36.123 22.692 1.00 0.00 C ATOM 970 CD LYS A 249 -15.367 35.809 24.195 1.00 0.00 C ATOM 971 CE LYS A 249 -14.457 36.769 24.971 1.00 0.00 C ATOM 972 NZ LYS A 249 -13.034 36.596 24.618 1.00 0.00 N ATOM 973 OXT LYS A 249 -14.053 34.379 20.317 1.00 0.00 O ATOM 0 H LYS A 249 -18.108 35.272 19.534 1.00 0.00 H new ATOM 0 HA LYS A 249 -16.381 36.483 20.279 1.00 0.00 H new ATOM 0 HB2 LYS A 249 -17.306 35.251 22.272 1.00 0.00 H new ATOM 0 HB3 LYS A 249 -15.971 34.125 22.125 1.00 0.00 H new ATOM 0 HG2 LYS A 249 -14.357 36.064 22.302 1.00 0.00 H new ATOM 0 HG3 LYS A 249 -15.716 37.145 22.534 1.00 0.00 H new ATOM 0 HD2 LYS A 249 -16.383 35.875 24.585 1.00 0.00 H new ATOM 0 HD3 LYS A 249 -15.032 34.784 24.351 1.00 0.00 H new ATOM 0 HE2 LYS A 249 -14.758 37.797 24.767 1.00 0.00 H new ATOM 0 HE3 LYS A 249 -14.587 36.605 26.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 249 -12.446 37.165 25.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 249 -12.774 35.593 24.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 249 -12.879 36.908 23.638 1.00 0.00 H new TER 987 LYS A 249 HETATM 988 ZN ZN A 250 0.254 22.957 3.811 1.00 0.00 ZN HETATM 989 ZN ZN A 251 -1.599 24.906 15.652 1.00 0.00 ZN