USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, 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 NoAdj-H: A 223 HIS HD1 : A 223 HIS ND1 : A 250 ZNZN :(H bumps) USER MOD Set 1.1: A 212 CYS SG : rot -48:sc= -6.61! USER MOD Set 1.2: A 217 CYS SG : rot -171:sc= 1.7 USER MOD Set 1.3: A 239 CYS SG : rot 150:sc= 0.5 USER MOD Set 1.4: A 242 CYS SG : rot 105:sc= 1.35 USER MOD Set 2.1: A 199 CYS SG : rot -148:sc= 0.0159 USER MOD Set 2.2: A 201 CYS SG : rot 109:sc= 0.226 USER MOD Set 2.3: A 226 CYS SG : rot 140:sc= 0.893 USER MOD Set 3.1: A 197 THR OG1 : rot -160:sc= 0 USER MOD Set 3.2: A 202 HIS : no HD1:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 187 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 189 MET CE :methyl 179:sc= 0 (180deg=-0.000183) USER MOD Single : A 194 ASN : amide:sc= -0.0905 X(o=-0.091,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 206 TYR OH : rot 165:sc= 0 USER MOD Single : A 209 MET CE :methyl -166:sc= -0.339 (180deg=-0.755) USER MOD Single : A 218 SER OG : rot -45:sc= 0.121 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+ 174:sc= 0.293 (180deg=0.261) USER MOD Single : A 236 LYS NZ :NH3+ 161:sc= 1.21 (180deg=0.973) USER MOD Single : A 243 SER OG : rot 180:sc= 0 USER MOD Single : A 244 GLN : amide:sc= -0.0798 X(o=-0.08,f=-0.32) USER MOD Single : A 247 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0289) USER MOD Single : A 248 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 249 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0461) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 187 18.502 1.690 5.291 1.00 0.00 N ATOM 2 CA MET A 187 19.695 1.997 4.479 1.00 0.00 C ATOM 3 C MET A 187 19.622 3.415 3.910 1.00 0.00 C ATOM 4 O MET A 187 20.557 4.189 4.101 1.00 0.00 O ATOM 5 CB MET A 187 19.895 0.942 3.379 1.00 0.00 C ATOM 6 CG MET A 187 21.242 1.124 2.673 1.00 0.00 C ATOM 7 SD MET A 187 21.616 -0.172 1.463 1.00 0.00 S ATOM 8 CE MET A 187 23.278 0.356 0.974 1.00 0.00 C ATOM 0 HA MET A 187 20.571 1.958 5.127 1.00 0.00 H new ATOM 0 HB2 MET A 187 19.842 -0.056 3.815 1.00 0.00 H new ATOM 0 HB3 MET A 187 19.087 1.015 2.651 1.00 0.00 H new ATOM 0 HG2 MET A 187 21.250 2.091 2.170 1.00 0.00 H new ATOM 0 HG3 MET A 187 22.034 1.148 3.422 1.00 0.00 H new ATOM 0 HE1 MET A 187 23.673 -0.331 0.226 1.00 0.00 H new ATOM 0 HE2 MET A 187 23.232 1.361 0.555 1.00 0.00 H new ATOM 0 HE3 MET A 187 23.931 0.357 1.847 1.00 0.00 H new ATOM 20 N ASP A 188 18.513 3.744 3.234 1.00 0.00 N ATOM 21 CA ASP A 188 18.275 5.021 2.566 1.00 0.00 C ATOM 22 C ASP A 188 16.837 5.497 2.815 1.00 0.00 C ATOM 23 O ASP A 188 15.986 4.730 3.271 1.00 0.00 O ATOM 24 CB ASP A 188 18.585 4.877 1.066 1.00 0.00 C ATOM 25 CG ASP A 188 17.698 3.837 0.374 1.00 0.00 C ATOM 26 OD1 ASP A 188 18.056 2.640 0.446 1.00 0.00 O ATOM 27 OD2 ASP A 188 16.674 4.255 -0.209 1.00 0.00 O ATOM 0 H ASP A 188 17.729 3.099 3.136 1.00 0.00 H new ATOM 0 HA ASP A 188 18.938 5.782 2.978 1.00 0.00 H new ATOM 0 HB2 ASP A 188 18.453 5.843 0.578 1.00 0.00 H new ATOM 0 HB3 ASP A 188 19.631 4.597 0.941 1.00 0.00 H new ATOM 32 N MET A 189 16.588 6.785 2.540 1.00 0.00 N ATOM 33 CA MET A 189 15.354 7.484 2.903 1.00 0.00 C ATOM 34 C MET A 189 15.071 8.677 1.960 1.00 0.00 C ATOM 35 O MET A 189 14.960 9.809 2.433 1.00 0.00 O ATOM 36 CB MET A 189 15.433 7.874 4.396 1.00 0.00 C ATOM 37 CG MET A 189 16.610 8.799 4.759 1.00 0.00 C ATOM 38 SD MET A 189 17.312 8.534 6.410 1.00 0.00 S ATOM 39 CE MET A 189 18.243 7.006 6.109 1.00 0.00 C ATOM 0 H MET A 189 17.255 7.380 2.048 1.00 0.00 H new ATOM 0 HA MET A 189 14.496 6.825 2.772 1.00 0.00 H new ATOM 0 HB2 MET A 189 14.502 8.365 4.679 1.00 0.00 H new ATOM 0 HB3 MET A 189 15.507 6.964 4.992 1.00 0.00 H new ATOM 0 HG2 MET A 189 17.399 8.665 4.019 1.00 0.00 H new ATOM 0 HG3 MET A 189 16.276 9.834 4.685 1.00 0.00 H new ATOM 0 HE1 MET A 189 18.756 6.707 7.023 1.00 0.00 H new ATOM 0 HE2 MET A 189 17.557 6.216 5.803 1.00 0.00 H new ATOM 0 HE3 MET A 189 18.976 7.176 5.320 1.00 0.00 H new ATOM 49 N PRO A 190 14.984 8.469 0.627 1.00 0.00 N ATOM 50 CA PRO A 190 14.853 9.556 -0.343 1.00 0.00 C ATOM 51 C PRO A 190 13.527 10.313 -0.217 1.00 0.00 C ATOM 52 O PRO A 190 13.520 11.542 -0.173 1.00 0.00 O ATOM 53 CB PRO A 190 15.018 8.901 -1.720 1.00 0.00 C ATOM 54 CG PRO A 190 14.580 7.454 -1.494 1.00 0.00 C ATOM 55 CD PRO A 190 15.022 7.183 -0.058 1.00 0.00 C ATOM 0 HA PRO A 190 15.610 10.321 -0.170 1.00 0.00 H new ATOM 0 HB2 PRO A 190 14.401 9.392 -2.472 1.00 0.00 H new ATOM 0 HB3 PRO A 190 16.050 8.956 -2.068 1.00 0.00 H new ATOM 0 HG2 PRO A 190 13.503 7.335 -1.614 1.00 0.00 H new ATOM 0 HG3 PRO A 190 15.057 6.773 -2.199 1.00 0.00 H new ATOM 0 HD2 PRO A 190 14.359 6.465 0.425 1.00 0.00 H new ATOM 0 HD3 PRO A 190 16.025 6.758 -0.033 1.00 0.00 H new ATOM 63 N VAL A 191 12.427 9.561 -0.126 1.00 0.00 N ATOM 64 CA VAL A 191 11.055 10.001 0.004 1.00 0.00 C ATOM 65 C VAL A 191 10.244 8.880 0.666 1.00 0.00 C ATOM 66 O VAL A 191 10.552 7.693 0.533 1.00 0.00 O ATOM 67 CB VAL A 191 10.440 10.312 -1.379 1.00 0.00 C ATOM 68 CG1 VAL A 191 10.835 11.700 -1.904 1.00 0.00 C ATOM 69 CG2 VAL A 191 10.711 9.253 -2.464 1.00 0.00 C ATOM 0 H VAL A 191 12.490 8.543 -0.144 1.00 0.00 H new ATOM 0 HA VAL A 191 11.031 10.909 0.607 1.00 0.00 H new ATOM 0 HB VAL A 191 9.368 10.293 -1.184 1.00 0.00 H new ATOM 0 HG11 VAL A 191 10.375 11.865 -2.878 1.00 0.00 H new ATOM 0 HG12 VAL A 191 10.492 12.464 -1.207 1.00 0.00 H new ATOM 0 HG13 VAL A 191 11.919 11.758 -2.000 1.00 0.00 H new ATOM 0 HG21 VAL A 191 10.240 9.560 -3.398 1.00 0.00 H new ATOM 0 HG22 VAL A 191 11.786 9.154 -2.615 1.00 0.00 H new ATOM 0 HG23 VAL A 191 10.299 8.295 -2.148 1.00 0.00 H new ATOM 79 N ASP A 192 9.167 9.286 1.340 1.00 0.00 N ATOM 80 CA ASP A 192 8.121 8.406 1.853 1.00 0.00 C ATOM 81 C ASP A 192 7.229 7.893 0.705 1.00 0.00 C ATOM 82 O ASP A 192 7.149 8.543 -0.340 1.00 0.00 O ATOM 83 CB ASP A 192 7.256 9.200 2.846 1.00 0.00 C ATOM 84 CG ASP A 192 8.031 9.573 4.108 1.00 0.00 C ATOM 85 OD1 ASP A 192 8.107 8.702 5.003 1.00 0.00 O ATOM 86 OD2 ASP A 192 8.530 10.718 4.158 1.00 0.00 O ATOM 0 H ASP A 192 8.995 10.269 1.550 1.00 0.00 H new ATOM 0 HA ASP A 192 8.584 7.550 2.343 1.00 0.00 H new ATOM 0 HB2 ASP A 192 6.890 10.107 2.364 1.00 0.00 H new ATOM 0 HB3 ASP A 192 6.382 8.609 3.119 1.00 0.00 H new ATOM 91 N PRO A 193 6.486 6.783 0.904 1.00 0.00 N ATOM 92 CA PRO A 193 5.427 6.339 -0.006 1.00 0.00 C ATOM 93 C PRO A 193 4.147 7.203 0.121 1.00 0.00 C ATOM 94 O PRO A 193 3.083 6.802 -0.350 1.00 0.00 O ATOM 95 CB PRO A 193 5.193 4.868 0.360 1.00 0.00 C ATOM 96 CG PRO A 193 5.487 4.831 1.857 1.00 0.00 C ATOM 97 CD PRO A 193 6.616 5.849 2.016 1.00 0.00 C ATOM 0 HA PRO A 193 5.711 6.448 -1.053 1.00 0.00 H new ATOM 0 HB2 PRO A 193 4.171 4.556 0.142 1.00 0.00 H new ATOM 0 HB3 PRO A 193 5.854 4.204 -0.197 1.00 0.00 H new ATOM 0 HG2 PRO A 193 4.612 5.105 2.446 1.00 0.00 H new ATOM 0 HG3 PRO A 193 5.792 3.837 2.183 1.00 0.00 H new ATOM 0 HD2 PRO A 193 6.539 6.369 2.971 1.00 0.00 H new ATOM 0 HD3 PRO A 193 7.588 5.357 1.998 1.00 0.00 H new ATOM 105 N ASN A 194 4.255 8.381 0.755 1.00 0.00 N ATOM 106 CA ASN A 194 3.199 9.338 1.041 1.00 0.00 C ATOM 107 C ASN A 194 3.621 10.712 0.489 1.00 0.00 C ATOM 108 O ASN A 194 4.472 10.811 -0.397 1.00 0.00 O ATOM 109 CB ASN A 194 2.959 9.357 2.565 1.00 0.00 C ATOM 110 CG ASN A 194 2.702 7.968 3.146 1.00 0.00 C ATOM 111 OD1 ASN A 194 1.610 7.424 3.019 1.00 0.00 O ATOM 112 ND2 ASN A 194 3.715 7.387 3.787 1.00 0.00 N ATOM 0 H ASN A 194 5.157 8.705 1.104 1.00 0.00 H new ATOM 0 HA ASN A 194 2.260 9.064 0.560 1.00 0.00 H new ATOM 0 HB2 ASN A 194 3.826 9.796 3.058 1.00 0.00 H new ATOM 0 HB3 ASN A 194 2.107 10.000 2.785 1.00 0.00 H new ATOM 0 HD21 ASN A 194 3.597 6.458 4.192 1.00 0.00 H new ATOM 0 HD22 ASN A 194 4.609 7.871 3.872 1.00 0.00 H new ATOM 119 N GLU A 195 3.009 11.772 1.021 1.00 0.00 N ATOM 120 CA GLU A 195 3.245 13.163 0.647 1.00 0.00 C ATOM 121 C GLU A 195 3.172 14.034 1.915 1.00 0.00 C ATOM 122 O GLU A 195 2.206 13.905 2.671 1.00 0.00 O ATOM 123 CB GLU A 195 2.186 13.579 -0.389 1.00 0.00 C ATOM 124 CG GLU A 195 2.393 15.006 -0.910 1.00 0.00 C ATOM 125 CD GLU A 195 1.339 15.371 -1.956 1.00 0.00 C ATOM 126 OE1 GLU A 195 0.217 15.732 -1.536 1.00 0.00 O ATOM 127 OE2 GLU A 195 1.672 15.291 -3.159 1.00 0.00 O ATOM 0 H GLU A 195 2.307 11.678 1.755 1.00 0.00 H new ATOM 0 HA GLU A 195 4.231 13.292 0.201 1.00 0.00 H new ATOM 0 HB2 GLU A 195 2.212 12.883 -1.228 1.00 0.00 H new ATOM 0 HB3 GLU A 195 1.195 13.501 0.059 1.00 0.00 H new ATOM 0 HG2 GLU A 195 2.344 15.710 -0.079 1.00 0.00 H new ATOM 0 HG3 GLU A 195 3.388 15.096 -1.346 1.00 0.00 H new ATOM 134 N PRO A 196 4.159 14.920 2.169 1.00 0.00 N ATOM 135 CA PRO A 196 4.161 15.799 3.335 1.00 0.00 C ATOM 136 C PRO A 196 3.156 16.946 3.164 1.00 0.00 C ATOM 137 O PRO A 196 2.853 17.360 2.044 1.00 0.00 O ATOM 138 CB PRO A 196 5.597 16.321 3.443 1.00 0.00 C ATOM 139 CG PRO A 196 6.073 16.340 1.992 1.00 0.00 C ATOM 140 CD PRO A 196 5.366 15.130 1.381 1.00 0.00 C ATOM 0 HA PRO A 196 3.858 15.274 4.241 1.00 0.00 H new ATOM 0 HB2 PRO A 196 5.632 17.314 3.891 1.00 0.00 H new ATOM 0 HB3 PRO A 196 6.216 15.671 4.061 1.00 0.00 H new ATOM 0 HG2 PRO A 196 5.795 17.266 1.489 1.00 0.00 H new ATOM 0 HG3 PRO A 196 7.157 16.252 1.922 1.00 0.00 H new ATOM 0 HD2 PRO A 196 5.120 15.311 0.335 1.00 0.00 H new ATOM 0 HD3 PRO A 196 6.007 14.249 1.410 1.00 0.00 H new ATOM 148 N THR A 197 2.657 17.474 4.290 1.00 0.00 N ATOM 149 CA THR A 197 1.634 18.510 4.333 1.00 0.00 C ATOM 150 C THR A 197 1.877 19.462 5.510 1.00 0.00 C ATOM 151 O THR A 197 2.736 19.217 6.359 1.00 0.00 O ATOM 152 CB THR A 197 0.221 17.888 4.428 1.00 0.00 C ATOM 153 OG1 THR A 197 0.053 17.178 5.641 1.00 0.00 O ATOM 154 CG2 THR A 197 -0.130 16.955 3.261 1.00 0.00 C ATOM 0 H THR A 197 2.966 17.180 5.216 1.00 0.00 H new ATOM 0 HA THR A 197 1.695 19.081 3.406 1.00 0.00 H new ATOM 0 HB THR A 197 -0.460 18.738 4.386 1.00 0.00 H new ATOM 0 HG1 THR A 197 -0.691 16.547 5.550 1.00 0.00 H new ATOM 0 HG21 THR A 197 -1.136 16.560 3.401 1.00 0.00 H new ATOM 0 HG22 THR A 197 -0.086 17.511 2.325 1.00 0.00 H new ATOM 0 HG23 THR A 197 0.582 16.131 3.227 1.00 0.00 H new ATOM 162 N TYR A 198 1.071 20.529 5.565 1.00 0.00 N ATOM 163 CA TYR A 198 1.115 21.546 6.613 1.00 0.00 C ATOM 164 C TYR A 198 -0.281 21.920 7.128 1.00 0.00 C ATOM 165 O TYR A 198 -0.615 21.470 8.219 1.00 0.00 O ATOM 166 CB TYR A 198 1.894 22.775 6.128 1.00 0.00 C ATOM 167 CG TYR A 198 3.398 22.609 6.006 1.00 0.00 C ATOM 168 CD1 TYR A 198 4.160 22.204 7.121 1.00 0.00 C ATOM 169 CD2 TYR A 198 4.043 22.909 4.791 1.00 0.00 C ATOM 170 CE1 TYR A 198 5.558 22.094 7.024 1.00 0.00 C ATOM 171 CE2 TYR A 198 5.441 22.806 4.689 1.00 0.00 C ATOM 172 CZ TYR A 198 6.205 22.399 5.806 1.00 0.00 C ATOM 173 OH TYR A 198 7.562 22.302 5.706 1.00 0.00 O ATOM 0 H TYR A 198 0.354 20.710 4.863 1.00 0.00 H new ATOM 0 HA TYR A 198 1.643 21.120 7.466 1.00 0.00 H new ATOM 0 HB2 TYR A 198 1.501 23.067 5.154 1.00 0.00 H new ATOM 0 HB3 TYR A 198 1.695 23.599 6.813 1.00 0.00 H new ATOM 0 HD1 TYR A 198 3.667 21.977 8.055 1.00 0.00 H new ATOM 0 HD2 TYR A 198 3.462 23.219 3.935 1.00 0.00 H new ATOM 0 HE1 TYR A 198 6.136 21.777 7.879 1.00 0.00 H new ATOM 0 HE2 TYR A 198 5.932 23.038 3.756 1.00 0.00 H new ATOM 0 HH TYR A 198 7.842 22.547 4.799 1.00 0.00 H new ATOM 183 N CYS A 199 -1.075 22.729 6.395 1.00 0.00 N ATOM 184 CA CYS A 199 -2.354 23.270 6.872 1.00 0.00 C ATOM 185 C CYS A 199 -3.373 22.194 7.269 1.00 0.00 C ATOM 186 O CYS A 199 -3.216 21.014 6.956 1.00 0.00 O ATOM 187 CB CYS A 199 -2.967 24.343 5.932 1.00 0.00 C ATOM 188 SG CYS A 199 -3.964 25.508 6.925 1.00 0.00 S ATOM 0 H CYS A 199 -0.839 23.024 5.448 1.00 0.00 H new ATOM 0 HA CYS A 199 -2.096 23.790 7.794 1.00 0.00 H new ATOM 0 HB2 CYS A 199 -2.176 24.878 5.406 1.00 0.00 H new ATOM 0 HB3 CYS A 199 -3.589 23.867 5.174 1.00 0.00 H new ATOM 0 HG CYS A 199 -4.956 25.949 6.210 1.00 0.00 H new ATOM 193 N LEU A 200 -4.454 22.650 7.916 1.00 0.00 N ATOM 194 CA LEU A 200 -5.660 21.863 8.205 1.00 0.00 C ATOM 195 C LEU A 200 -6.313 21.287 6.937 1.00 0.00 C ATOM 196 O LEU A 200 -7.163 20.404 7.021 1.00 0.00 O ATOM 197 CB LEU A 200 -6.637 22.707 9.049 1.00 0.00 C ATOM 198 CG LEU A 200 -7.265 23.882 8.269 1.00 0.00 C ATOM 199 CD1 LEU A 200 -8.642 23.541 7.680 1.00 0.00 C ATOM 200 CD2 LEU A 200 -7.419 25.114 9.169 1.00 0.00 C ATOM 0 H LEU A 200 -4.515 23.607 8.264 1.00 0.00 H new ATOM 0 HA LEU A 200 -5.368 20.990 8.789 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -7.433 22.062 9.423 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -6.109 23.099 9.918 1.00 0.00 H new ATOM 0 HG LEU A 200 -6.580 24.090 7.447 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -9.033 24.406 7.143 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -8.546 22.701 6.993 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -9.326 23.274 8.485 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -7.863 25.929 8.597 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -8.063 24.869 10.013 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -6.440 25.421 9.537 1.00 0.00 H new ATOM 212 N CYS A 201 -5.890 21.787 5.770 1.00 0.00 N ATOM 213 CA CYS A 201 -6.293 21.342 4.445 1.00 0.00 C ATOM 214 C CYS A 201 -5.593 20.049 4.002 1.00 0.00 C ATOM 215 O CYS A 201 -6.066 19.389 3.079 1.00 0.00 O ATOM 216 CB CYS A 201 -5.874 22.436 3.475 1.00 0.00 C ATOM 217 SG CYS A 201 -6.765 23.983 3.782 1.00 0.00 S ATOM 0 H CYS A 201 -5.220 22.555 5.731 1.00 0.00 H new ATOM 0 HA CYS A 201 -7.365 21.147 4.461 1.00 0.00 H new ATOM 0 HB2 CYS A 201 -4.802 22.610 3.564 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -6.059 22.106 2.453 1.00 0.00 H new ATOM 0 HG CYS A 201 -5.950 24.860 4.288 1.00 0.00 H new ATOM 223 N HIS A 202 -4.462 19.721 4.643 1.00 0.00 N ATOM 224 CA HIS A 202 -3.545 18.642 4.305 1.00 0.00 C ATOM 225 C HIS A 202 -3.094 18.698 2.841 1.00 0.00 C ATOM 226 O HIS A 202 -3.406 17.824 2.033 1.00 0.00 O ATOM 227 CB HIS A 202 -4.083 17.291 4.794 1.00 0.00 C ATOM 228 CG HIS A 202 -4.185 17.256 6.300 1.00 0.00 C ATOM 229 ND1 HIS A 202 -3.146 17.038 7.176 1.00 0.00 N ATOM 230 CD2 HIS A 202 -5.291 17.552 7.053 1.00 0.00 C ATOM 231 CE1 HIS A 202 -3.622 17.197 8.423 1.00 0.00 C ATOM 232 NE2 HIS A 202 -4.928 17.511 8.403 1.00 0.00 N ATOM 0 H HIS A 202 -4.150 20.241 5.463 1.00 0.00 H new ATOM 0 HA HIS A 202 -2.613 18.782 4.853 1.00 0.00 H new ATOM 0 HB2 HIS A 202 -5.064 17.107 4.356 1.00 0.00 H new ATOM 0 HB3 HIS A 202 -3.427 16.490 4.453 1.00 0.00 H new ATOM 0 HD2 HIS A 202 -6.275 17.778 6.669 1.00 0.00 H new ATOM 0 HE1 HIS A 202 -3.033 17.087 9.321 1.00 0.00 H new ATOM 0 HE2 HIS A 202 -5.531 17.684 9.207 1.00 0.00 H new ATOM 240 N GLN A 203 -2.334 19.759 2.537 1.00 0.00 N ATOM 241 CA GLN A 203 -1.673 20.019 1.267 1.00 0.00 C ATOM 242 C GLN A 203 -0.185 20.353 1.474 1.00 0.00 C ATOM 243 O GLN A 203 0.219 20.753 2.567 1.00 0.00 O ATOM 244 CB GLN A 203 -2.436 21.117 0.494 1.00 0.00 C ATOM 245 CG GLN A 203 -2.102 22.592 0.812 1.00 0.00 C ATOM 246 CD GLN A 203 -2.502 23.098 2.199 1.00 0.00 C ATOM 247 OE1 GLN A 203 -3.377 23.952 2.327 1.00 0.00 O ATOM 248 NE2 GLN A 203 -1.843 22.638 3.258 1.00 0.00 N ATOM 0 H GLN A 203 -2.159 20.498 3.217 1.00 0.00 H new ATOM 0 HA GLN A 203 -1.695 19.116 0.656 1.00 0.00 H new ATOM 0 HB2 GLN A 203 -2.264 20.957 -0.570 1.00 0.00 H new ATOM 0 HB3 GLN A 203 -3.502 20.970 0.670 1.00 0.00 H new ATOM 0 HG2 GLN A 203 -1.027 22.732 0.695 1.00 0.00 H new ATOM 0 HG3 GLN A 203 -2.588 23.221 0.066 1.00 0.00 H new ATOM 0 HE21 GLN A 203 -1.119 21.929 3.140 1.00 0.00 H new ATOM 0 HE22 GLN A 203 -2.061 22.994 4.189 1.00 0.00 H new ATOM 257 N VAL A 204 0.616 20.211 0.408 1.00 0.00 N ATOM 258 CA VAL A 204 2.065 20.469 0.378 1.00 0.00 C ATOM 259 C VAL A 204 2.379 21.968 0.593 1.00 0.00 C ATOM 260 O VAL A 204 1.477 22.785 0.765 1.00 0.00 O ATOM 261 CB VAL A 204 2.699 19.928 -0.941 1.00 0.00 C ATOM 262 CG1 VAL A 204 4.121 19.379 -0.705 1.00 0.00 C ATOM 263 CG2 VAL A 204 1.904 18.791 -1.612 1.00 0.00 C ATOM 0 H VAL A 204 0.258 19.900 -0.495 1.00 0.00 H new ATOM 0 HA VAL A 204 2.519 19.928 1.208 1.00 0.00 H new ATOM 0 HB VAL A 204 2.699 20.798 -1.597 1.00 0.00 H new ATOM 0 HG11 VAL A 204 4.530 19.011 -1.646 1.00 0.00 H new ATOM 0 HG12 VAL A 204 4.759 20.174 -0.318 1.00 0.00 H new ATOM 0 HG13 VAL A 204 4.081 18.563 0.017 1.00 0.00 H new ATOM 0 HG21 VAL A 204 2.416 18.476 -2.521 1.00 0.00 H new ATOM 0 HG22 VAL A 204 1.828 17.946 -0.927 1.00 0.00 H new ATOM 0 HG23 VAL A 204 0.904 19.145 -1.863 1.00 0.00 H new ATOM 273 N SER A 205 3.671 22.322 0.583 1.00 0.00 N ATOM 274 CA SER A 205 4.221 23.669 0.760 1.00 0.00 C ATOM 275 C SER A 205 3.522 24.744 -0.087 1.00 0.00 C ATOM 276 O SER A 205 3.020 24.477 -1.179 1.00 0.00 O ATOM 277 CB SER A 205 5.721 23.650 0.428 1.00 0.00 C ATOM 278 OG SER A 205 6.410 22.685 1.196 1.00 0.00 O ATOM 0 H SER A 205 4.406 21.629 0.442 1.00 0.00 H new ATOM 0 HA SER A 205 4.050 23.941 1.802 1.00 0.00 H new ATOM 0 HB2 SER A 205 5.857 23.437 -0.632 1.00 0.00 H new ATOM 0 HB3 SER A 205 6.148 24.636 0.613 1.00 0.00 H new ATOM 0 HG SER A 205 7.361 22.697 0.960 1.00 0.00 H new ATOM 284 N TYR A 206 3.529 25.975 0.438 1.00 0.00 N ATOM 285 CA TYR A 206 2.828 27.138 -0.106 1.00 0.00 C ATOM 286 C TYR A 206 3.555 28.442 0.267 1.00 0.00 C ATOM 287 O TYR A 206 4.440 28.450 1.124 1.00 0.00 O ATOM 288 CB TYR A 206 1.372 27.129 0.398 1.00 0.00 C ATOM 289 CG TYR A 206 1.195 26.809 1.875 1.00 0.00 C ATOM 290 CD1 TYR A 206 1.583 27.740 2.854 1.00 0.00 C ATOM 291 CD2 TYR A 206 0.668 25.566 2.270 1.00 0.00 C ATOM 292 CE1 TYR A 206 1.482 27.426 4.223 1.00 0.00 C ATOM 293 CE2 TYR A 206 0.530 25.255 3.632 1.00 0.00 C ATOM 294 CZ TYR A 206 0.943 26.183 4.612 1.00 0.00 C ATOM 295 OH TYR A 206 0.832 25.881 5.932 1.00 0.00 O ATOM 0 H TYR A 206 4.046 26.194 1.290 1.00 0.00 H new ATOM 0 HA TYR A 206 2.820 27.084 -1.195 1.00 0.00 H new ATOM 0 HB2 TYR A 206 0.931 28.106 0.200 1.00 0.00 H new ATOM 0 HB3 TYR A 206 0.808 26.400 -0.184 1.00 0.00 H new ATOM 0 HD1 TYR A 206 1.962 28.705 2.553 1.00 0.00 H new ATOM 0 HD2 TYR A 206 0.368 24.847 1.522 1.00 0.00 H new ATOM 0 HE1 TYR A 206 1.815 28.132 4.969 1.00 0.00 H new ATOM 0 HE2 TYR A 206 0.108 24.306 3.930 1.00 0.00 H new ATOM 0 HH TYR A 206 0.240 25.108 6.042 1.00 0.00 H new ATOM 305 N GLY A 207 3.173 29.544 -0.397 1.00 0.00 N ATOM 306 CA GLY A 207 3.861 30.830 -0.320 1.00 0.00 C ATOM 307 C GLY A 207 3.579 31.591 0.974 1.00 0.00 C ATOM 308 O GLY A 207 4.505 31.863 1.735 1.00 0.00 O ATOM 0 H GLY A 207 2.360 29.560 -1.013 1.00 0.00 H new ATOM 0 HA2 GLY A 207 4.935 30.665 -0.410 1.00 0.00 H new ATOM 0 HA3 GLY A 207 3.561 31.446 -1.168 1.00 0.00 H new ATOM 312 N GLU A 208 2.306 31.925 1.224 1.00 0.00 N ATOM 313 CA GLU A 208 1.860 32.609 2.423 1.00 0.00 C ATOM 314 C GLU A 208 1.740 31.637 3.598 1.00 0.00 C ATOM 315 O GLU A 208 0.973 30.678 3.529 1.00 0.00 O ATOM 316 CB GLU A 208 0.514 33.281 2.143 1.00 0.00 C ATOM 317 CG GLU A 208 -0.532 32.459 1.369 1.00 0.00 C ATOM 318 CD GLU A 208 -1.940 33.017 1.579 1.00 0.00 C ATOM 319 OE1 GLU A 208 -2.223 34.096 1.015 1.00 0.00 O ATOM 320 OE2 GLU A 208 -2.710 32.359 2.314 1.00 0.00 O ATOM 0 H GLU A 208 1.547 31.717 0.575 1.00 0.00 H new ATOM 0 HA GLU A 208 2.596 33.365 2.696 1.00 0.00 H new ATOM 0 HB2 GLU A 208 0.076 33.573 3.098 1.00 0.00 H new ATOM 0 HB3 GLU A 208 0.703 34.198 1.586 1.00 0.00 H new ATOM 0 HG2 GLU A 208 -0.290 32.466 0.306 1.00 0.00 H new ATOM 0 HG3 GLU A 208 -0.497 31.420 1.697 1.00 0.00 H new ATOM 327 N MET A 209 2.472 31.903 4.688 1.00 0.00 N ATOM 328 CA MET A 209 2.548 30.971 5.811 1.00 0.00 C ATOM 329 C MET A 209 2.618 31.666 7.168 1.00 0.00 C ATOM 330 O MET A 209 3.391 32.605 7.359 1.00 0.00 O ATOM 331 CB MET A 209 3.806 30.070 5.741 1.00 0.00 C ATOM 332 CG MET A 209 4.318 29.587 4.384 1.00 0.00 C ATOM 333 SD MET A 209 5.661 28.365 4.492 1.00 0.00 S ATOM 334 CE MET A 209 4.789 26.885 5.086 1.00 0.00 C ATOM 0 H MET A 209 3.018 32.756 4.812 1.00 0.00 H new ATOM 0 HA MET A 209 1.631 30.389 5.725 1.00 0.00 H new ATOM 0 HB2 MET A 209 4.621 30.611 6.223 1.00 0.00 H new ATOM 0 HB3 MET A 209 3.608 29.186 6.347 1.00 0.00 H new ATOM 0 HG2 MET A 209 3.488 29.151 3.828 1.00 0.00 H new ATOM 0 HG3 MET A 209 4.668 30.447 3.812 1.00 0.00 H new ATOM 0 HE1 MET A 209 5.515 26.148 5.430 1.00 0.00 H new ATOM 0 HE2 MET A 209 4.130 27.157 5.911 1.00 0.00 H new ATOM 0 HE3 MET A 209 4.198 26.461 4.274 1.00 0.00 H new ATOM 344 N ILE A 210 1.894 31.088 8.134 1.00 0.00 N ATOM 345 CA ILE A 210 1.972 31.413 9.556 1.00 0.00 C ATOM 346 C ILE A 210 1.920 30.127 10.387 1.00 0.00 C ATOM 347 O ILE A 210 1.249 29.165 10.019 1.00 0.00 O ATOM 348 CB ILE A 210 0.870 32.419 9.936 1.00 0.00 C ATOM 349 CG1 ILE A 210 1.099 32.957 11.362 1.00 0.00 C ATOM 350 CG2 ILE A 210 -0.554 31.860 9.730 1.00 0.00 C ATOM 351 CD1 ILE A 210 0.250 34.190 11.671 1.00 0.00 C ATOM 0 H ILE A 210 1.214 30.354 7.935 1.00 0.00 H new ATOM 0 HA ILE A 210 2.924 31.897 9.774 1.00 0.00 H new ATOM 0 HB ILE A 210 0.944 33.261 9.248 1.00 0.00 H new ATOM 0 HG12 ILE A 210 0.869 32.173 12.083 1.00 0.00 H new ATOM 0 HG13 ILE A 210 2.153 33.206 11.487 1.00 0.00 H new ATOM 0 HG21 ILE A 210 -1.286 32.615 10.015 1.00 0.00 H new ATOM 0 HG22 ILE A 210 -0.693 31.597 8.681 1.00 0.00 H new ATOM 0 HG23 ILE A 210 -0.689 30.972 10.348 1.00 0.00 H new ATOM 0 HD11 ILE A 210 0.452 34.525 12.688 1.00 0.00 H new ATOM 0 HD12 ILE A 210 0.498 34.987 10.970 1.00 0.00 H new ATOM 0 HD13 ILE A 210 -0.806 33.938 11.575 1.00 0.00 H new ATOM 363 N GLY A 211 2.640 30.132 11.513 1.00 0.00 N ATOM 364 CA GLY A 211 2.905 28.959 12.335 1.00 0.00 C ATOM 365 C GLY A 211 2.486 29.160 13.790 1.00 0.00 C ATOM 366 O GLY A 211 2.708 30.219 14.375 1.00 0.00 O ATOM 0 H GLY A 211 3.065 30.981 11.885 1.00 0.00 H new ATOM 0 HA2 GLY A 211 2.373 28.102 11.922 1.00 0.00 H new ATOM 0 HA3 GLY A 211 3.969 28.724 12.295 1.00 0.00 H new ATOM 370 N CYS A 212 1.858 28.115 14.345 1.00 0.00 N ATOM 371 CA CYS A 212 1.146 28.139 15.622 1.00 0.00 C ATOM 372 C CYS A 212 2.111 28.075 16.804 1.00 0.00 C ATOM 373 O CYS A 212 2.905 27.143 16.918 1.00 0.00 O ATOM 374 CB CYS A 212 0.073 27.034 15.667 1.00 0.00 C ATOM 375 SG CYS A 212 -0.676 26.658 14.105 1.00 0.00 S ATOM 0 H CYS A 212 1.833 27.198 13.898 1.00 0.00 H new ATOM 0 HA CYS A 212 0.626 29.093 15.708 1.00 0.00 H new ATOM 0 HB2 CYS A 212 0.524 26.125 16.065 1.00 0.00 H new ATOM 0 HB3 CYS A 212 -0.708 27.334 16.365 1.00 0.00 H new ATOM 0 HG CYS A 212 -1.039 27.761 13.521 1.00 0.00 H new ATOM 380 N ASP A 213 1.999 29.076 17.686 1.00 0.00 N ATOM 381 CA ASP A 213 2.853 29.299 18.852 1.00 0.00 C ATOM 382 C ASP A 213 2.660 28.250 19.968 1.00 0.00 C ATOM 383 O ASP A 213 3.366 28.290 20.974 1.00 0.00 O ATOM 384 CB ASP A 213 2.584 30.729 19.353 1.00 0.00 C ATOM 385 CG ASP A 213 3.535 31.185 20.460 1.00 0.00 C ATOM 386 OD1 ASP A 213 4.684 31.535 20.114 1.00 0.00 O ATOM 387 OD2 ASP A 213 3.080 31.214 21.625 1.00 0.00 O ATOM 0 H ASP A 213 1.272 29.787 17.598 1.00 0.00 H new ATOM 0 HA ASP A 213 3.896 29.184 18.556 1.00 0.00 H new ATOM 0 HB2 ASP A 213 2.662 31.419 18.513 1.00 0.00 H new ATOM 0 HB3 ASP A 213 1.559 30.789 19.720 1.00 0.00 H new ATOM 392 N ASN A 214 1.713 27.313 19.808 1.00 0.00 N ATOM 393 CA ASN A 214 1.367 26.341 20.835 1.00 0.00 C ATOM 394 C ASN A 214 2.532 25.375 21.112 1.00 0.00 C ATOM 395 O ASN A 214 3.217 24.973 20.169 1.00 0.00 O ATOM 396 CB ASN A 214 0.220 25.437 20.367 1.00 0.00 C ATOM 397 CG ASN A 214 -1.080 26.078 19.895 1.00 0.00 C ATOM 398 OD1 ASN A 214 -1.115 26.969 19.045 1.00 0.00 O ATOM 399 ND2 ASN A 214 -2.190 25.486 20.318 1.00 0.00 N ATOM 0 H ASN A 214 1.166 27.215 18.952 1.00 0.00 H new ATOM 0 HA ASN A 214 1.105 26.925 21.717 1.00 0.00 H new ATOM 0 HB2 ASN A 214 0.598 24.821 19.551 1.00 0.00 H new ATOM 0 HB3 ASN A 214 -0.024 24.763 21.188 1.00 0.00 H new ATOM 0 HD21 ASN A 214 -3.094 25.767 19.938 1.00 0.00 H new ATOM 0 HD22 ASN A 214 -2.139 24.750 21.023 1.00 0.00 H new ATOM 406 N PRO A 215 2.691 24.899 22.361 1.00 0.00 N ATOM 407 CA PRO A 215 3.564 23.773 22.675 1.00 0.00 C ATOM 408 C PRO A 215 2.871 22.418 22.383 1.00 0.00 C ATOM 409 O PRO A 215 3.450 21.376 22.686 1.00 0.00 O ATOM 410 CB PRO A 215 3.889 23.950 24.162 1.00 0.00 C ATOM 411 CG PRO A 215 2.613 24.571 24.728 1.00 0.00 C ATOM 412 CD PRO A 215 2.075 25.420 23.574 1.00 0.00 C ATOM 0 HA PRO A 215 4.465 23.759 22.062 1.00 0.00 H new ATOM 0 HB2 PRO A 215 4.119 22.998 24.640 1.00 0.00 H new ATOM 0 HB3 PRO A 215 4.752 24.598 24.311 1.00 0.00 H new ATOM 0 HG2 PRO A 215 1.897 23.807 25.030 1.00 0.00 H new ATOM 0 HG3 PRO A 215 2.821 25.179 25.608 1.00 0.00 H new ATOM 0 HD2 PRO A 215 0.988 25.355 23.517 1.00 0.00 H new ATOM 0 HD3 PRO A 215 2.324 26.472 23.716 1.00 0.00 H new ATOM 420 N ASP A 216 1.652 22.426 21.802 1.00 0.00 N ATOM 421 CA ASP A 216 0.775 21.258 21.659 1.00 0.00 C ATOM 422 C ASP A 216 0.141 21.104 20.264 1.00 0.00 C ATOM 423 O ASP A 216 -0.452 20.059 19.995 1.00 0.00 O ATOM 424 CB ASP A 216 -0.368 21.343 22.689 1.00 0.00 C ATOM 425 CG ASP A 216 0.089 21.582 24.128 1.00 0.00 C ATOM 426 OD1 ASP A 216 0.850 20.736 24.644 1.00 0.00 O ATOM 427 OD2 ASP A 216 -0.349 22.610 24.691 1.00 0.00 O ATOM 0 H ASP A 216 1.244 23.275 21.410 1.00 0.00 H new ATOM 0 HA ASP A 216 1.416 20.392 21.820 1.00 0.00 H new ATOM 0 HB2 ASP A 216 -1.043 22.148 22.398 1.00 0.00 H new ATOM 0 HB3 ASP A 216 -0.942 20.417 22.653 1.00 0.00 H new ATOM 432 N CYS A 217 0.227 22.119 19.388 1.00 0.00 N ATOM 433 CA CYS A 217 -0.383 22.093 18.064 1.00 0.00 C ATOM 434 C CYS A 217 0.249 21.001 17.202 1.00 0.00 C ATOM 435 O CYS A 217 1.469 20.847 17.153 1.00 0.00 O ATOM 436 CB CYS A 217 -0.328 23.474 17.403 1.00 0.00 C ATOM 437 SG CYS A 217 -1.297 23.502 15.872 1.00 0.00 S ATOM 0 H CYS A 217 0.728 22.985 19.588 1.00 0.00 H new ATOM 0 HA CYS A 217 -1.439 21.844 18.170 1.00 0.00 H new ATOM 0 HB2 CYS A 217 -0.710 24.226 18.093 1.00 0.00 H new ATOM 0 HB3 CYS A 217 0.708 23.736 17.187 1.00 0.00 H new ATOM 0 HG CYS A 217 -1.082 24.619 15.243 1.00 0.00 H new ATOM 443 N SER A 218 -0.633 20.271 16.517 1.00 0.00 N ATOM 444 CA SER A 218 -0.327 19.087 15.712 1.00 0.00 C ATOM 445 C SER A 218 -0.561 19.352 14.213 1.00 0.00 C ATOM 446 O SER A 218 -0.597 18.421 13.409 1.00 0.00 O ATOM 447 CB SER A 218 -1.145 17.908 16.260 1.00 0.00 C ATOM 448 OG SER A 218 -0.636 16.677 15.793 1.00 0.00 O ATOM 0 H SER A 218 -1.627 20.500 16.508 1.00 0.00 H new ATOM 0 HA SER A 218 0.730 18.835 15.791 1.00 0.00 H new ATOM 0 HB2 SER A 218 -1.126 17.923 17.350 1.00 0.00 H new ATOM 0 HB3 SER A 218 -2.187 18.013 15.958 1.00 0.00 H new ATOM 0 HG SER A 218 -0.453 16.742 14.832 1.00 0.00 H new ATOM 454 N ILE A 219 -0.697 20.635 13.843 1.00 0.00 N ATOM 455 CA ILE A 219 -0.778 21.115 12.466 1.00 0.00 C ATOM 456 C ILE A 219 0.361 22.125 12.232 1.00 0.00 C ATOM 457 O ILE A 219 1.041 22.018 11.214 1.00 0.00 O ATOM 458 CB ILE A 219 -2.191 21.682 12.175 1.00 0.00 C ATOM 459 CG1 ILE A 219 -3.295 20.633 12.460 1.00 0.00 C ATOM 460 CG2 ILE A 219 -2.298 22.174 10.718 1.00 0.00 C ATOM 461 CD1 ILE A 219 -4.720 21.113 12.153 1.00 0.00 C ATOM 0 H ILE A 219 -0.755 21.391 14.526 1.00 0.00 H new ATOM 0 HA ILE A 219 -0.641 20.299 11.756 1.00 0.00 H new ATOM 0 HB ILE A 219 -2.342 22.528 12.845 1.00 0.00 H new ATOM 0 HG12 ILE A 219 -3.091 19.739 11.870 1.00 0.00 H new ATOM 0 HG13 ILE A 219 -3.241 20.342 13.509 1.00 0.00 H new ATOM 0 HG21 ILE A 219 -3.299 22.567 10.539 1.00 0.00 H new ATOM 0 HG22 ILE A 219 -1.563 22.960 10.545 1.00 0.00 H new ATOM 0 HG23 ILE A 219 -2.108 21.343 10.039 1.00 0.00 H new ATOM 0 HD11 ILE A 219 -5.429 20.317 12.381 1.00 0.00 H new ATOM 0 HD12 ILE A 219 -4.948 21.988 12.762 1.00 0.00 H new ATOM 0 HD13 ILE A 219 -4.796 21.375 11.098 1.00 0.00 H new ATOM 473 N GLU A 220 0.602 23.011 13.220 1.00 0.00 N ATOM 474 CA GLU A 220 1.696 23.979 13.423 1.00 0.00 C ATOM 475 C GLU A 220 2.107 24.921 12.271 1.00 0.00 C ATOM 476 O GLU A 220 2.833 25.873 12.541 1.00 0.00 O ATOM 477 CB GLU A 220 2.924 23.280 14.037 1.00 0.00 C ATOM 478 CG GLU A 220 3.654 22.330 13.072 1.00 0.00 C ATOM 479 CD GLU A 220 5.037 21.947 13.597 1.00 0.00 C ATOM 480 OE1 GLU A 220 5.088 21.096 14.512 1.00 0.00 O ATOM 481 OE2 GLU A 220 6.023 22.513 13.073 1.00 0.00 O ATOM 0 H GLU A 220 -0.056 23.070 13.997 1.00 0.00 H new ATOM 0 HA GLU A 220 1.239 24.689 14.112 1.00 0.00 H new ATOM 0 HB2 GLU A 220 3.626 24.039 14.383 1.00 0.00 H new ATOM 0 HB3 GLU A 220 2.607 22.716 14.914 1.00 0.00 H new ATOM 0 HG2 GLU A 220 3.057 21.429 12.927 1.00 0.00 H new ATOM 0 HG3 GLU A 220 3.754 22.807 12.097 1.00 0.00 H new ATOM 488 N TRP A 221 1.640 24.718 11.034 1.00 0.00 N ATOM 489 CA TRP A 221 1.765 25.618 9.902 1.00 0.00 C ATOM 490 C TRP A 221 0.463 25.654 9.119 1.00 0.00 C ATOM 491 O TRP A 221 -0.169 24.629 8.876 1.00 0.00 O ATOM 492 CB TRP A 221 2.830 25.111 8.954 1.00 0.00 C ATOM 493 CG TRP A 221 4.215 25.507 9.285 1.00 0.00 C ATOM 494 CD1 TRP A 221 5.188 24.690 9.731 1.00 0.00 C ATOM 495 CD2 TRP A 221 4.805 26.832 9.171 1.00 0.00 C ATOM 496 NE1 TRP A 221 6.358 25.404 9.845 1.00 0.00 N ATOM 497 CE2 TRP A 221 6.191 26.721 9.463 1.00 0.00 C ATOM 498 CE3 TRP A 221 4.310 28.110 8.830 1.00 0.00 C ATOM 499 CZ2 TRP A 221 7.058 27.814 9.335 1.00 0.00 C ATOM 500 CZ3 TRP A 221 5.165 29.227 8.775 1.00 0.00 C ATOM 501 CH2 TRP A 221 6.542 29.076 9.001 1.00 0.00 C ATOM 0 H TRP A 221 1.135 23.866 10.791 1.00 0.00 H new ATOM 0 HA TRP A 221 2.019 26.606 10.286 1.00 0.00 H new ATOM 0 HB2 TRP A 221 2.778 24.023 8.925 1.00 0.00 H new ATOM 0 HB3 TRP A 221 2.598 25.468 7.950 1.00 0.00 H new ATOM 0 HD1 TRP A 221 5.069 23.642 9.962 1.00 0.00 H new ATOM 0 HE1 TRP A 221 7.240 25.010 10.171 1.00 0.00 H new ATOM 0 HE3 TRP A 221 3.260 28.232 8.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 221 8.119 27.686 9.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 221 4.760 30.204 8.558 1.00 0.00 H new ATOM 0 HH2 TRP A 221 7.202 29.927 8.918 1.00 0.00 H new ATOM 512 N PHE A 222 0.091 26.876 8.743 1.00 0.00 N ATOM 513 CA PHE A 222 -1.200 27.233 8.170 1.00 0.00 C ATOM 514 C PHE A 222 -0.998 28.300 7.096 1.00 0.00 C ATOM 515 O PHE A 222 -0.028 29.058 7.134 1.00 0.00 O ATOM 516 CB PHE A 222 -2.154 27.800 9.251 1.00 0.00 C ATOM 517 CG PHE A 222 -2.674 26.826 10.300 1.00 0.00 C ATOM 518 CD1 PHE A 222 -1.772 26.135 11.121 1.00 0.00 C ATOM 519 CD2 PHE A 222 -4.057 26.646 10.520 1.00 0.00 C ATOM 520 CE1 PHE A 222 -2.218 25.197 12.049 1.00 0.00 C ATOM 521 CE2 PHE A 222 -4.506 25.811 11.566 1.00 0.00 C ATOM 522 CZ PHE A 222 -3.572 25.105 12.345 1.00 0.00 C ATOM 0 H PHE A 222 0.712 27.680 8.835 1.00 0.00 H new ATOM 0 HA PHE A 222 -1.642 26.333 7.744 1.00 0.00 H new ATOM 0 HB2 PHE A 222 -1.637 28.609 9.768 1.00 0.00 H new ATOM 0 HB3 PHE A 222 -3.012 28.242 8.746 1.00 0.00 H new ATOM 0 HD1 PHE A 222 -0.714 26.333 11.032 1.00 0.00 H new ATOM 0 HD2 PHE A 222 -4.773 27.148 9.887 1.00 0.00 H new ATOM 0 HE1 PHE A 222 -1.512 24.542 12.538 1.00 0.00 H new ATOM 0 HE2 PHE A 222 -5.563 25.715 11.767 1.00 0.00 H new ATOM 0 HZ PHE A 222 -3.906 24.494 13.170 1.00 0.00 H new ATOM 532 N HIS A 223 -1.949 28.384 6.159 1.00 0.00 N ATOM 533 CA HIS A 223 -2.024 29.521 5.248 1.00 0.00 C ATOM 534 C HIS A 223 -2.503 30.748 6.025 1.00 0.00 C ATOM 535 O HIS A 223 -3.304 30.630 6.955 1.00 0.00 O ATOM 536 CB HIS A 223 -3.015 29.250 4.102 1.00 0.00 C ATOM 537 CG HIS A 223 -2.510 28.428 2.944 1.00 0.00 C ATOM 538 ND1 HIS A 223 -2.500 27.029 2.863 1.00 0.00 N ATOM 539 CD2 HIS A 223 -2.173 28.948 1.727 1.00 0.00 C ATOM 540 CE1 HIS A 223 -2.129 26.761 1.597 1.00 0.00 C ATOM 541 NE2 HIS A 223 -1.925 27.888 0.898 1.00 0.00 N ATOM 0 H HIS A 223 -2.672 27.679 6.016 1.00 0.00 H new ATOM 0 HA HIS A 223 -1.034 29.688 4.824 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -3.887 28.748 4.520 1.00 0.00 H new ATOM 0 HB3 HIS A 223 -3.355 30.210 3.714 1.00 0.00 H new ATOM 0 HD2 HIS A 223 -2.114 29.995 1.468 1.00 0.00 H new ATOM 0 HE1 HIS A 223 -2.011 25.766 1.195 1.00 0.00 H new ATOM 0 HE2 HIS A 223 -1.636 27.945 -0.079 1.00 0.00 H new ATOM 549 N PHE A 224 -2.043 31.930 5.593 1.00 0.00 N ATOM 550 CA PHE A 224 -2.634 33.202 6.026 1.00 0.00 C ATOM 551 C PHE A 224 -4.146 33.159 5.832 1.00 0.00 C ATOM 552 O PHE A 224 -4.889 33.398 6.774 1.00 0.00 O ATOM 553 CB PHE A 224 -2.071 34.399 5.233 1.00 0.00 C ATOM 554 CG PHE A 224 -0.642 34.839 5.472 1.00 0.00 C ATOM 555 CD1 PHE A 224 0.068 34.479 6.631 1.00 0.00 C ATOM 556 CD2 PHE A 224 -0.016 35.637 4.493 1.00 0.00 C ATOM 557 CE1 PHE A 224 1.418 34.839 6.757 1.00 0.00 C ATOM 558 CE2 PHE A 224 1.347 35.951 4.598 1.00 0.00 C ATOM 559 CZ PHE A 224 2.074 35.515 5.716 1.00 0.00 C ATOM 0 H PHE A 224 -1.263 32.031 4.944 1.00 0.00 H new ATOM 0 HA PHE A 224 -2.383 33.335 7.078 1.00 0.00 H new ATOM 0 HB2 PHE A 224 -2.169 34.165 4.173 1.00 0.00 H new ATOM 0 HB3 PHE A 224 -2.715 35.256 5.431 1.00 0.00 H new ATOM 0 HD1 PHE A 224 -0.423 33.928 7.420 1.00 0.00 H new ATOM 0 HD2 PHE A 224 -0.589 36.009 3.657 1.00 0.00 H new ATOM 0 HE1 PHE A 224 1.956 34.594 7.661 1.00 0.00 H new ATOM 0 HE2 PHE A 224 1.834 36.525 3.823 1.00 0.00 H new ATOM 0 HZ PHE A 224 3.137 35.699 5.776 1.00 0.00 H new ATOM 569 N ALA A 225 -4.598 32.783 4.637 1.00 0.00 N ATOM 570 CA ALA A 225 -6.002 32.747 4.282 1.00 0.00 C ATOM 571 C ALA A 225 -6.784 31.618 4.972 1.00 0.00 C ATOM 572 O ALA A 225 -8.013 31.678 4.973 1.00 0.00 O ATOM 573 CB ALA A 225 -6.123 32.643 2.758 1.00 0.00 C ATOM 0 H ALA A 225 -3.981 32.491 3.879 1.00 0.00 H new ATOM 0 HA ALA A 225 -6.456 33.672 4.639 1.00 0.00 H new ATOM 0 HB1 ALA A 225 -7.176 32.615 2.478 1.00 0.00 H new ATOM 0 HB2 ALA A 225 -5.647 33.508 2.295 1.00 0.00 H new ATOM 0 HB3 ALA A 225 -5.632 31.732 2.415 1.00 0.00 H new ATOM 579 N CYS A 226 -6.120 30.622 5.590 1.00 0.00 N ATOM 580 CA CYS A 226 -6.780 29.607 6.390 1.00 0.00 C ATOM 581 C CYS A 226 -7.168 30.112 7.793 1.00 0.00 C ATOM 582 O CYS A 226 -7.878 29.404 8.505 1.00 0.00 O ATOM 583 CB CYS A 226 -5.842 28.409 6.458 1.00 0.00 C ATOM 584 SG CYS A 226 -6.160 27.287 5.063 1.00 0.00 S ATOM 0 H CYS A 226 -5.107 30.510 5.540 1.00 0.00 H new ATOM 0 HA CYS A 226 -7.725 29.329 5.924 1.00 0.00 H new ATOM 0 HB2 CYS A 226 -4.806 28.747 6.434 1.00 0.00 H new ATOM 0 HB3 CYS A 226 -5.983 27.880 7.400 1.00 0.00 H new ATOM 0 HG CYS A 226 -5.031 26.836 4.603 1.00 0.00 H new ATOM 590 N VAL A 227 -6.754 31.336 8.159 1.00 0.00 N ATOM 591 CA VAL A 227 -7.193 32.078 9.343 1.00 0.00 C ATOM 592 C VAL A 227 -7.811 33.435 8.975 1.00 0.00 C ATOM 593 O VAL A 227 -8.474 34.065 9.797 1.00 0.00 O ATOM 594 CB VAL A 227 -6.027 32.189 10.347 1.00 0.00 C ATOM 595 CG1 VAL A 227 -4.869 33.085 9.892 1.00 0.00 C ATOM 596 CG2 VAL A 227 -6.502 32.629 11.742 1.00 0.00 C ATOM 0 H VAL A 227 -6.071 31.856 7.608 1.00 0.00 H new ATOM 0 HA VAL A 227 -7.996 31.526 9.831 1.00 0.00 H new ATOM 0 HB VAL A 227 -5.634 31.174 10.399 1.00 0.00 H new ATOM 0 HG11 VAL A 227 -4.097 33.101 10.662 1.00 0.00 H new ATOM 0 HG12 VAL A 227 -4.449 32.694 8.965 1.00 0.00 H new ATOM 0 HG13 VAL A 227 -5.236 34.098 9.725 1.00 0.00 H new ATOM 0 HG21 VAL A 227 -5.646 32.693 12.414 1.00 0.00 H new ATOM 0 HG22 VAL A 227 -6.982 33.605 11.672 1.00 0.00 H new ATOM 0 HG23 VAL A 227 -7.215 31.901 12.130 1.00 0.00 H new ATOM 606 N GLY A 228 -7.617 33.852 7.721 1.00 0.00 N ATOM 607 CA GLY A 228 -8.154 35.072 7.136 1.00 0.00 C ATOM 608 C GLY A 228 -7.159 36.236 7.134 1.00 0.00 C ATOM 609 O GLY A 228 -7.587 37.374 6.946 1.00 0.00 O ATOM 0 H GLY A 228 -7.053 33.319 7.059 1.00 0.00 H new ATOM 0 HA2 GLY A 228 -8.465 34.868 6.111 1.00 0.00 H new ATOM 0 HA3 GLY A 228 -9.047 35.368 7.687 1.00 0.00 H new ATOM 613 N LEU A 229 -5.858 35.980 7.360 1.00 0.00 N ATOM 614 CA LEU A 229 -4.827 37.008 7.325 1.00 0.00 C ATOM 615 C LEU A 229 -4.519 37.441 5.885 1.00 0.00 C ATOM 616 O LEU A 229 -4.803 36.727 4.922 1.00 0.00 O ATOM 617 CB LEU A 229 -3.550 36.517 8.038 1.00 0.00 C ATOM 618 CG LEU A 229 -3.600 36.624 9.576 1.00 0.00 C ATOM 619 CD1 LEU A 229 -2.390 35.889 10.166 1.00 0.00 C ATOM 620 CD2 LEU A 229 -3.584 38.079 10.072 1.00 0.00 C ATOM 0 H LEU A 229 -5.501 35.048 7.572 1.00 0.00 H new ATOM 0 HA LEU A 229 -5.204 37.881 7.857 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -3.372 35.477 7.764 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -2.700 37.093 7.673 1.00 0.00 H new ATOM 0 HG LEU A 229 -4.538 36.175 9.903 1.00 0.00 H new ATOM 0 HD11 LEU A 229 -2.416 35.959 11.253 1.00 0.00 H new ATOM 0 HD12 LEU A 229 -2.421 34.841 9.869 1.00 0.00 H new ATOM 0 HD13 LEU A 229 -1.472 36.344 9.795 1.00 0.00 H new ATOM 0 HD21 LEU A 229 -3.621 38.092 11.161 1.00 0.00 H new ATOM 0 HD22 LEU A 229 -2.671 38.569 9.734 1.00 0.00 H new ATOM 0 HD23 LEU A 229 -4.449 38.609 9.673 1.00 0.00 H new ATOM 632 N THR A 230 -3.885 38.615 5.775 1.00 0.00 N ATOM 633 CA THR A 230 -3.408 39.219 4.527 1.00 0.00 C ATOM 634 C THR A 230 -1.960 39.727 4.659 1.00 0.00 C ATOM 635 O THR A 230 -1.337 40.047 3.647 1.00 0.00 O ATOM 636 CB THR A 230 -4.340 40.370 4.096 1.00 0.00 C ATOM 637 OG1 THR A 230 -4.391 41.366 5.099 1.00 0.00 O ATOM 638 CG2 THR A 230 -5.767 39.897 3.791 1.00 0.00 C ATOM 0 H THR A 230 -3.682 39.194 6.590 1.00 0.00 H new ATOM 0 HA THR A 230 -3.420 38.444 3.760 1.00 0.00 H new ATOM 0 HB THR A 230 -3.919 40.778 3.177 1.00 0.00 H new ATOM 0 HG1 THR A 230 -4.985 42.090 4.811 1.00 0.00 H new ATOM 0 HG21 THR A 230 -6.377 40.750 3.493 1.00 0.00 H new ATOM 0 HG22 THR A 230 -5.743 39.167 2.982 1.00 0.00 H new ATOM 0 HG23 THR A 230 -6.196 39.437 4.681 1.00 0.00 H new ATOM 646 N THR A 231 -1.421 39.769 5.887 1.00 0.00 N ATOM 647 CA THR A 231 -0.054 40.159 6.227 1.00 0.00 C ATOM 648 C THR A 231 0.410 39.320 7.423 1.00 0.00 C ATOM 649 O THR A 231 -0.405 38.929 8.263 1.00 0.00 O ATOM 650 CB THR A 231 0.031 41.658 6.589 1.00 0.00 C ATOM 651 OG1 THR A 231 -0.859 41.980 7.641 1.00 0.00 O ATOM 652 CG2 THR A 231 -0.257 42.584 5.402 1.00 0.00 C ATOM 0 H THR A 231 -1.963 39.516 6.713 1.00 0.00 H new ATOM 0 HA THR A 231 0.585 39.986 5.361 1.00 0.00 H new ATOM 0 HB THR A 231 1.062 41.822 6.903 1.00 0.00 H new ATOM 0 HG1 THR A 231 -0.784 42.934 7.852 1.00 0.00 H new ATOM 0 HG21 THR A 231 -0.181 43.623 5.724 1.00 0.00 H new ATOM 0 HG22 THR A 231 0.467 42.396 4.610 1.00 0.00 H new ATOM 0 HG23 THR A 231 -1.263 42.393 5.027 1.00 0.00 H new ATOM 660 N LYS A 232 1.724 39.072 7.519 1.00 0.00 N ATOM 661 CA LYS A 232 2.300 38.315 8.626 1.00 0.00 C ATOM 662 C LYS A 232 2.484 39.229 9.854 1.00 0.00 C ATOM 663 O LYS A 232 3.120 40.276 9.724 1.00 0.00 O ATOM 664 CB LYS A 232 3.651 37.716 8.204 1.00 0.00 C ATOM 665 CG LYS A 232 4.021 36.526 9.106 1.00 0.00 C ATOM 666 CD LYS A 232 5.386 35.910 8.767 1.00 0.00 C ATOM 667 CE LYS A 232 6.561 36.857 9.042 1.00 0.00 C ATOM 668 NZ LYS A 232 6.688 37.184 10.476 1.00 0.00 N ATOM 0 H LYS A 232 2.409 39.391 6.833 1.00 0.00 H new ATOM 0 HA LYS A 232 1.622 37.504 8.892 1.00 0.00 H new ATOM 0 HB2 LYS A 232 3.602 37.390 7.165 1.00 0.00 H new ATOM 0 HB3 LYS A 232 4.427 38.479 8.263 1.00 0.00 H new ATOM 0 HG2 LYS A 232 4.026 36.854 10.145 1.00 0.00 H new ATOM 0 HG3 LYS A 232 3.252 35.759 9.018 1.00 0.00 H new ATOM 0 HD2 LYS A 232 5.520 34.997 9.348 1.00 0.00 H new ATOM 0 HD3 LYS A 232 5.397 35.623 7.715 1.00 0.00 H new ATOM 0 HE2 LYS A 232 7.486 36.398 8.692 1.00 0.00 H new ATOM 0 HE3 LYS A 232 6.426 37.776 8.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 7.552 37.742 10.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 5.861 37.735 10.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 6.741 36.305 11.029 1.00 0.00 H new ATOM 682 N PRO A 233 1.992 38.842 11.048 1.00 0.00 N ATOM 683 CA PRO A 233 2.298 39.517 12.306 1.00 0.00 C ATOM 684 C PRO A 233 3.705 39.132 12.805 1.00 0.00 C ATOM 685 O PRO A 233 4.415 38.348 12.170 1.00 0.00 O ATOM 686 CB PRO A 233 1.199 39.039 13.265 1.00 0.00 C ATOM 687 CG PRO A 233 0.946 37.604 12.808 1.00 0.00 C ATOM 688 CD PRO A 233 1.136 37.691 11.294 1.00 0.00 C ATOM 0 HA PRO A 233 2.312 40.603 12.214 1.00 0.00 H new ATOM 0 HB2 PRO A 233 1.524 39.080 14.305 1.00 0.00 H new ATOM 0 HB3 PRO A 233 0.301 39.652 13.187 1.00 0.00 H new ATOM 0 HG2 PRO A 233 1.647 36.905 13.264 1.00 0.00 H new ATOM 0 HG3 PRO A 233 -0.057 37.267 13.071 1.00 0.00 H new ATOM 0 HD2 PRO A 233 1.592 36.779 10.908 1.00 0.00 H new ATOM 0 HD3 PRO A 233 0.177 37.806 10.789 1.00 0.00 H new ATOM 696 N ARG A 234 4.095 39.660 13.973 1.00 0.00 N ATOM 697 CA ARG A 234 5.283 39.235 14.698 1.00 0.00 C ATOM 698 C ARG A 234 4.959 39.240 16.189 1.00 0.00 C ATOM 699 O ARG A 234 4.379 40.185 16.723 1.00 0.00 O ATOM 700 CB ARG A 234 6.469 40.137 14.353 1.00 0.00 C ATOM 701 CG ARG A 234 7.801 39.522 14.807 1.00 0.00 C ATOM 702 CD ARG A 234 8.986 40.343 14.288 1.00 0.00 C ATOM 703 NE ARG A 234 10.266 39.701 14.628 1.00 0.00 N ATOM 704 CZ ARG A 234 11.437 39.904 14.006 1.00 0.00 C ATOM 705 NH1 ARG A 234 11.557 40.765 12.992 1.00 0.00 N ATOM 706 NH2 ARG A 234 12.514 39.227 14.405 1.00 0.00 N ATOM 0 H ARG A 234 3.581 40.406 14.442 1.00 0.00 H new ATOM 0 HA ARG A 234 5.572 38.225 14.409 1.00 0.00 H new ATOM 0 HB2 ARG A 234 6.495 40.308 13.277 1.00 0.00 H new ATOM 0 HB3 ARG A 234 6.337 41.109 14.827 1.00 0.00 H new ATOM 0 HG2 ARG A 234 7.833 39.477 15.896 1.00 0.00 H new ATOM 0 HG3 ARG A 234 7.876 38.497 14.443 1.00 0.00 H new ATOM 0 HD2 ARG A 234 8.908 40.456 13.207 1.00 0.00 H new ATOM 0 HD3 ARG A 234 8.953 41.345 14.716 1.00 0.00 H new ATOM 0 HE ARG A 234 10.262 39.042 15.407 1.00 0.00 H new ATOM 0 HH11 ARG A 234 10.744 41.290 12.670 1.00 0.00 H new ATOM 0 HH12 ARG A 234 12.462 40.897 12.539 1.00 0.00 H new ATOM 0 HH21 ARG A 234 12.442 38.563 15.176 1.00 0.00 H new ATOM 0 HH22 ARG A 234 13.410 39.373 13.939 1.00 0.00 H new ATOM 720 N GLY A 235 5.329 38.128 16.818 1.00 0.00 N ATOM 721 CA GLY A 235 4.950 37.741 18.171 1.00 0.00 C ATOM 722 C GLY A 235 4.222 36.393 18.143 1.00 0.00 C ATOM 723 O GLY A 235 4.204 35.708 17.117 1.00 0.00 O ATOM 0 H GLY A 235 5.933 37.437 16.373 1.00 0.00 H new ATOM 0 HA2 GLY A 235 5.837 37.672 18.801 1.00 0.00 H new ATOM 0 HA3 GLY A 235 4.306 38.503 18.610 1.00 0.00 H new ATOM 727 N LYS A 236 3.609 36.015 19.273 1.00 0.00 N ATOM 728 CA LYS A 236 2.782 34.828 19.376 1.00 0.00 C ATOM 729 C LYS A 236 1.475 35.008 18.606 1.00 0.00 C ATOM 730 O LYS A 236 0.880 36.086 18.564 1.00 0.00 O ATOM 731 CB LYS A 236 2.559 34.443 20.851 1.00 0.00 C ATOM 732 CG LYS A 236 1.735 35.403 21.732 1.00 0.00 C ATOM 733 CD LYS A 236 0.215 35.164 21.733 1.00 0.00 C ATOM 734 CE LYS A 236 -0.156 33.786 22.292 1.00 0.00 C ATOM 735 NZ LYS A 236 -1.618 33.610 22.349 1.00 0.00 N ATOM 0 H LYS A 236 3.681 36.538 20.146 1.00 0.00 H new ATOM 0 HA LYS A 236 3.305 33.993 18.911 1.00 0.00 H new ATOM 0 HB2 LYS A 236 2.071 33.469 20.872 1.00 0.00 H new ATOM 0 HB3 LYS A 236 3.537 34.320 21.316 1.00 0.00 H new ATOM 0 HG2 LYS A 236 2.097 35.328 22.757 1.00 0.00 H new ATOM 0 HG3 LYS A 236 1.924 36.424 21.401 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -0.272 35.938 22.327 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -0.166 35.256 20.716 1.00 0.00 H new ATOM 0 HE2 LYS A 236 0.283 33.007 21.668 1.00 0.00 H new ATOM 0 HE3 LYS A 236 0.266 33.670 23.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -1.843 32.597 22.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -1.995 34.104 23.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -2.049 34.005 21.489 1.00 0.00 H new ATOM 749 N TRP A 237 1.037 33.893 18.031 1.00 0.00 N ATOM 750 CA TRP A 237 -0.213 33.708 17.320 1.00 0.00 C ATOM 751 C TRP A 237 -0.712 32.284 17.558 1.00 0.00 C ATOM 752 O TRP A 237 0.055 31.327 17.459 1.00 0.00 O ATOM 753 CB TRP A 237 0.053 33.935 15.831 1.00 0.00 C ATOM 754 CG TRP A 237 -1.047 33.555 14.891 1.00 0.00 C ATOM 755 CD1 TRP A 237 -2.069 34.329 14.482 1.00 0.00 C ATOM 756 CD2 TRP A 237 -1.237 32.282 14.216 1.00 0.00 C ATOM 757 NE1 TRP A 237 -2.886 33.619 13.618 1.00 0.00 N ATOM 758 CE2 TRP A 237 -2.411 32.337 13.411 1.00 0.00 C ATOM 759 CE3 TRP A 237 -0.501 31.089 14.209 1.00 0.00 C ATOM 760 CZ2 TRP A 237 -2.840 31.232 12.648 1.00 0.00 C ATOM 761 CZ3 TRP A 237 -0.930 29.984 13.460 1.00 0.00 C ATOM 762 CH2 TRP A 237 -2.100 30.035 12.708 1.00 0.00 C ATOM 0 H TRP A 237 1.590 33.036 18.054 1.00 0.00 H new ATOM 0 HA TRP A 237 -0.971 34.409 17.670 1.00 0.00 H new ATOM 0 HB2 TRP A 237 0.280 34.991 15.682 1.00 0.00 H new ATOM 0 HB3 TRP A 237 0.946 33.375 15.555 1.00 0.00 H new ATOM 0 HD1 TRP A 237 -2.229 35.354 14.783 1.00 0.00 H new ATOM 0 HE1 TRP A 237 -3.732 33.994 13.188 1.00 0.00 H new ATOM 0 HE3 TRP A 237 0.408 31.020 14.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 237 -3.721 31.302 12.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 237 -0.342 29.078 13.467 1.00 0.00 H new ATOM 0 HH2 TRP A 237 -2.439 29.160 12.173 1.00 0.00 H new ATOM 773 N PHE A 238 -2.020 32.156 17.799 1.00 0.00 N ATOM 774 CA PHE A 238 -2.713 30.877 17.869 1.00 0.00 C ATOM 775 C PHE A 238 -3.702 30.786 16.712 1.00 0.00 C ATOM 776 O PHE A 238 -4.416 31.737 16.393 1.00 0.00 O ATOM 777 CB PHE A 238 -3.427 30.707 19.220 1.00 0.00 C ATOM 778 CG PHE A 238 -2.575 30.507 20.469 1.00 0.00 C ATOM 779 CD1 PHE A 238 -1.228 30.086 20.413 1.00 0.00 C ATOM 780 CD2 PHE A 238 -3.176 30.705 21.729 1.00 0.00 C ATOM 781 CE1 PHE A 238 -0.489 29.907 21.596 1.00 0.00 C ATOM 782 CE2 PHE A 238 -2.440 30.513 22.911 1.00 0.00 C ATOM 783 CZ PHE A 238 -1.091 30.126 22.844 1.00 0.00 C ATOM 0 H PHE A 238 -2.633 32.956 17.953 1.00 0.00 H new ATOM 0 HA PHE A 238 -1.986 30.069 17.787 1.00 0.00 H new ATOM 0 HB2 PHE A 238 -4.049 31.587 19.380 1.00 0.00 H new ATOM 0 HB3 PHE A 238 -4.099 29.853 19.136 1.00 0.00 H new ATOM 0 HD1 PHE A 238 -0.763 29.900 19.456 1.00 0.00 H new ATOM 0 HD2 PHE A 238 -4.211 31.007 21.786 1.00 0.00 H new ATOM 0 HE1 PHE A 238 0.545 29.600 21.544 1.00 0.00 H new ATOM 0 HE2 PHE A 238 -2.912 30.663 23.871 1.00 0.00 H new ATOM 0 HZ PHE A 238 -0.519 29.997 23.751 1.00 0.00 H new ATOM 793 N CYS A 239 -3.710 29.599 16.099 1.00 0.00 N ATOM 794 CA CYS A 239 -4.513 29.232 14.942 1.00 0.00 C ATOM 795 C CYS A 239 -6.027 29.273 15.220 1.00 0.00 C ATOM 796 O CYS A 239 -6.424 29.409 16.380 1.00 0.00 O ATOM 797 CB CYS A 239 -3.970 27.883 14.456 1.00 0.00 C ATOM 798 SG CYS A 239 -4.630 26.485 15.396 1.00 0.00 S ATOM 0 H CYS A 239 -3.122 28.830 16.419 1.00 0.00 H new ATOM 0 HA CYS A 239 -4.419 29.964 14.140 1.00 0.00 H new ATOM 0 HB2 CYS A 239 -4.216 27.755 13.402 1.00 0.00 H new ATOM 0 HB3 CYS A 239 -2.883 27.885 14.531 1.00 0.00 H new ATOM 0 HG CYS A 239 -4.684 25.435 14.631 1.00 0.00 H new ATOM 804 N PRO A 240 -6.896 29.182 14.191 1.00 0.00 N ATOM 805 CA PRO A 240 -8.323 29.406 14.383 1.00 0.00 C ATOM 806 C PRO A 240 -8.974 28.322 15.248 1.00 0.00 C ATOM 807 O PRO A 240 -9.850 28.643 16.045 1.00 0.00 O ATOM 808 CB PRO A 240 -8.946 29.486 12.986 1.00 0.00 C ATOM 809 CG PRO A 240 -7.949 28.745 12.098 1.00 0.00 C ATOM 810 CD PRO A 240 -6.602 28.970 12.781 1.00 0.00 C ATOM 0 HA PRO A 240 -8.492 30.332 14.932 1.00 0.00 H new ATOM 0 HB2 PRO A 240 -9.930 29.018 12.960 1.00 0.00 H new ATOM 0 HB3 PRO A 240 -9.076 30.519 12.665 1.00 0.00 H new ATOM 0 HG2 PRO A 240 -8.189 27.684 12.029 1.00 0.00 H new ATOM 0 HG3 PRO A 240 -7.951 29.139 11.082 1.00 0.00 H new ATOM 0 HD2 PRO A 240 -5.947 28.110 12.644 1.00 0.00 H new ATOM 0 HD3 PRO A 240 -6.088 29.832 12.356 1.00 0.00 H new ATOM 818 N ARG A 241 -8.492 27.072 15.157 1.00 0.00 N ATOM 819 CA ARG A 241 -8.937 25.936 15.965 1.00 0.00 C ATOM 820 C ARG A 241 -8.460 26.012 17.429 1.00 0.00 C ATOM 821 O ARG A 241 -8.749 25.104 18.207 1.00 0.00 O ATOM 822 CB ARG A 241 -8.495 24.618 15.301 1.00 0.00 C ATOM 823 CG ARG A 241 -9.076 24.456 13.883 1.00 0.00 C ATOM 824 CD ARG A 241 -8.868 23.041 13.328 1.00 0.00 C ATOM 825 NE ARG A 241 -9.687 22.051 14.047 1.00 0.00 N ATOM 826 CZ ARG A 241 -9.862 20.769 13.696 1.00 0.00 C ATOM 827 NH1 ARG A 241 -9.271 20.249 12.617 1.00 0.00 N ATOM 828 NH2 ARG A 241 -10.649 19.992 14.441 1.00 0.00 N ATOM 0 H ARG A 241 -7.757 26.821 14.495 1.00 0.00 H new ATOM 0 HA ARG A 241 -10.026 25.972 16.006 1.00 0.00 H new ATOM 0 HB2 ARG A 241 -7.407 24.585 15.252 1.00 0.00 H new ATOM 0 HB3 ARG A 241 -8.811 23.778 15.919 1.00 0.00 H new ATOM 0 HG2 ARG A 241 -10.142 24.684 13.901 1.00 0.00 H new ATOM 0 HG3 ARG A 241 -8.607 25.179 13.215 1.00 0.00 H new ATOM 0 HD2 ARG A 241 -9.123 23.024 12.268 1.00 0.00 H new ATOM 0 HD3 ARG A 241 -7.815 22.770 13.407 1.00 0.00 H new ATOM 0 HE ARG A 241 -10.165 22.370 14.890 1.00 0.00 H new ATOM 0 HH11 ARG A 241 -8.668 20.831 12.036 1.00 0.00 H new ATOM 0 HH12 ARG A 241 -9.423 19.270 12.374 1.00 0.00 H new ATOM 0 HH21 ARG A 241 -11.109 20.375 15.267 1.00 0.00 H new ATOM 0 HH22 ARG A 241 -10.791 19.015 14.185 1.00 0.00 H new ATOM 842 N CYS A 242 -7.740 27.081 17.800 1.00 0.00 N ATOM 843 CA CYS A 242 -7.081 27.264 19.080 1.00 0.00 C ATOM 844 C CYS A 242 -7.426 28.589 19.776 1.00 0.00 C ATOM 845 O CYS A 242 -7.115 28.732 20.959 1.00 0.00 O ATOM 846 CB CYS A 242 -5.574 27.218 18.827 1.00 0.00 C ATOM 847 SG CYS A 242 -4.981 25.511 18.677 1.00 0.00 S ATOM 0 H CYS A 242 -7.601 27.876 17.176 1.00 0.00 H new ATOM 0 HA CYS A 242 -7.425 26.473 19.746 1.00 0.00 H new ATOM 0 HB2 CYS A 242 -5.339 27.768 17.916 1.00 0.00 H new ATOM 0 HB3 CYS A 242 -5.051 27.716 19.643 1.00 0.00 H new ATOM 0 HG CYS A 242 -4.732 25.246 17.429 1.00 0.00 H new ATOM 853 N SER A 243 -8.043 29.545 19.070 1.00 0.00 N ATOM 854 CA SER A 243 -8.374 30.862 19.616 1.00 0.00 C ATOM 855 C SER A 243 -9.619 31.466 18.961 1.00 0.00 C ATOM 856 O SER A 243 -10.457 32.037 19.662 1.00 0.00 O ATOM 857 CB SER A 243 -7.163 31.784 19.424 1.00 0.00 C ATOM 858 OG SER A 243 -7.401 33.053 19.993 1.00 0.00 O ATOM 0 H SER A 243 -8.327 29.423 18.098 1.00 0.00 H new ATOM 0 HA SER A 243 -8.605 30.753 20.675 1.00 0.00 H new ATOM 0 HB2 SER A 243 -6.282 31.335 19.883 1.00 0.00 H new ATOM 0 HB3 SER A 243 -6.948 31.892 18.361 1.00 0.00 H new ATOM 0 HG SER A 243 -6.615 33.624 19.860 1.00 0.00 H new ATOM 864 N GLN A 244 -9.756 31.319 17.636 1.00 0.00 N ATOM 865 CA GLN A 244 -10.870 31.904 16.883 1.00 0.00 C ATOM 866 C GLN A 244 -12.185 31.120 17.062 1.00 0.00 C ATOM 867 O GLN A 244 -13.248 31.680 16.803 1.00 0.00 O ATOM 868 CB GLN A 244 -10.481 32.046 15.402 1.00 0.00 C ATOM 869 CG GLN A 244 -11.387 32.983 14.586 1.00 0.00 C ATOM 870 CD GLN A 244 -11.440 34.436 15.066 1.00 0.00 C ATOM 871 OE1 GLN A 244 -10.527 34.937 15.718 1.00 0.00 O ATOM 872 NE2 GLN A 244 -12.531 35.130 14.740 1.00 0.00 N ATOM 0 H GLN A 244 -9.099 30.793 17.059 1.00 0.00 H new ATOM 0 HA GLN A 244 -11.064 32.897 17.289 1.00 0.00 H new ATOM 0 HB2 GLN A 244 -9.456 32.412 15.343 1.00 0.00 H new ATOM 0 HB3 GLN A 244 -10.494 31.058 14.941 1.00 0.00 H new ATOM 0 HG2 GLN A 244 -11.049 32.974 13.550 1.00 0.00 H new ATOM 0 HG3 GLN A 244 -12.399 32.579 14.595 1.00 0.00 H new ATOM 0 HE21 GLN A 244 -13.273 34.688 14.198 1.00 0.00 H new ATOM 0 HE22 GLN A 244 -12.623 36.103 15.033 1.00 0.00 H new ATOM 881 N GLU A 245 -12.137 29.872 17.562 1.00 0.00 N ATOM 882 CA GLU A 245 -13.320 29.085 17.930 1.00 0.00 C ATOM 883 C GLU A 245 -14.108 29.695 19.105 1.00 0.00 C ATOM 884 O GLU A 245 -15.249 29.294 19.332 1.00 0.00 O ATOM 885 CB GLU A 245 -12.905 27.635 18.249 1.00 0.00 C ATOM 886 CG GLU A 245 -12.642 26.789 16.993 1.00 0.00 C ATOM 887 CD GLU A 245 -13.925 26.467 16.222 1.00 0.00 C ATOM 888 OE1 GLU A 245 -14.622 25.520 16.647 1.00 0.00 O ATOM 889 OE2 GLU A 245 -14.184 27.163 15.216 1.00 0.00 O ATOM 0 H GLU A 245 -11.260 29.377 17.723 1.00 0.00 H new ATOM 0 HA GLU A 245 -13.993 29.095 17.072 1.00 0.00 H new ATOM 0 HB2 GLU A 245 -12.006 27.649 18.865 1.00 0.00 H new ATOM 0 HB3 GLU A 245 -13.689 27.162 18.840 1.00 0.00 H new ATOM 0 HG2 GLU A 245 -11.953 27.322 16.338 1.00 0.00 H new ATOM 0 HG3 GLU A 245 -12.153 25.859 17.282 1.00 0.00 H new ATOM 896 N ARG A 246 -13.542 30.686 19.819 1.00 0.00 N ATOM 897 CA ARG A 246 -14.256 31.501 20.809 1.00 0.00 C ATOM 898 C ARG A 246 -15.234 32.502 20.145 1.00 0.00 C ATOM 899 O ARG A 246 -15.920 33.250 20.841 1.00 0.00 O ATOM 900 CB ARG A 246 -13.223 32.224 21.695 1.00 0.00 C ATOM 901 CG ARG A 246 -13.774 32.515 23.099 1.00 0.00 C ATOM 902 CD ARG A 246 -12.805 33.389 23.904 1.00 0.00 C ATOM 903 NE ARG A 246 -13.299 33.633 25.270 1.00 0.00 N ATOM 904 CZ ARG A 246 -14.275 34.486 25.622 1.00 0.00 C ATOM 905 NH1 ARG A 246 -14.925 35.228 24.721 1.00 0.00 N ATOM 906 NH2 ARG A 246 -14.611 34.598 26.907 1.00 0.00 N ATOM 0 H ARG A 246 -12.560 30.944 19.720 1.00 0.00 H new ATOM 0 HA ARG A 246 -14.870 30.846 21.427 1.00 0.00 H new ATOM 0 HB2 ARG A 246 -12.325 31.612 21.778 1.00 0.00 H new ATOM 0 HB3 ARG A 246 -12.929 33.160 21.220 1.00 0.00 H new ATOM 0 HG2 ARG A 246 -14.738 33.016 23.017 1.00 0.00 H new ATOM 0 HG3 ARG A 246 -13.946 31.577 23.627 1.00 0.00 H new ATOM 0 HD2 ARG A 246 -11.830 32.904 23.951 1.00 0.00 H new ATOM 0 HD3 ARG A 246 -12.663 34.341 23.393 1.00 0.00 H new ATOM 0 HE ARG A 246 -12.857 33.103 26.021 1.00 0.00 H new ATOM 0 HH11 ARG A 246 -14.685 35.156 23.732 1.00 0.00 H new ATOM 0 HH12 ARG A 246 -15.662 35.866 25.022 1.00 0.00 H new ATOM 0 HH21 ARG A 246 -14.128 34.039 27.611 1.00 0.00 H new ATOM 0 HH22 ARG A 246 -15.351 35.242 27.186 1.00 0.00 H new ATOM 920 N LYS A 247 -15.296 32.519 18.805 1.00 0.00 N ATOM 921 CA LYS A 247 -16.126 33.366 17.962 1.00 0.00 C ATOM 922 C LYS A 247 -16.638 32.526 16.780 1.00 0.00 C ATOM 923 O LYS A 247 -16.277 31.359 16.611 1.00 0.00 O ATOM 924 CB LYS A 247 -15.303 34.572 17.463 1.00 0.00 C ATOM 925 CG LYS A 247 -14.876 35.525 18.590 1.00 0.00 C ATOM 926 CD LYS A 247 -14.141 36.748 18.023 1.00 0.00 C ATOM 927 CE LYS A 247 -13.706 37.717 19.128 1.00 0.00 C ATOM 928 NZ LYS A 247 -14.857 38.371 19.780 1.00 0.00 N ATOM 0 H LYS A 247 -14.719 31.889 18.248 1.00 0.00 H new ATOM 0 HA LYS A 247 -16.976 33.748 18.527 1.00 0.00 H new ATOM 0 HB2 LYS A 247 -14.414 34.208 16.948 1.00 0.00 H new ATOM 0 HB3 LYS A 247 -15.891 35.126 16.731 1.00 0.00 H new ATOM 0 HG2 LYS A 247 -15.753 35.850 19.149 1.00 0.00 H new ATOM 0 HG3 LYS A 247 -14.228 34.999 19.291 1.00 0.00 H new ATOM 0 HD2 LYS A 247 -13.265 36.418 17.464 1.00 0.00 H new ATOM 0 HD3 LYS A 247 -14.791 37.268 17.319 1.00 0.00 H new ATOM 0 HE2 LYS A 247 -13.126 37.176 19.876 1.00 0.00 H new ATOM 0 HE3 LYS A 247 -13.050 38.478 18.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 247 -14.515 39.102 20.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 247 -15.462 38.810 19.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 247 -15.406 37.662 20.307 1.00 0.00 H new ATOM 942 N LYS A 248 -17.496 33.141 15.960 1.00 0.00 N ATOM 943 CA LYS A 248 -18.051 32.556 14.743 1.00 0.00 C ATOM 944 C LYS A 248 -16.932 32.403 13.701 1.00 0.00 C ATOM 945 O LYS A 248 -16.466 33.404 13.157 1.00 0.00 O ATOM 946 CB LYS A 248 -19.218 33.442 14.257 1.00 0.00 C ATOM 947 CG LYS A 248 -20.190 32.769 13.271 1.00 0.00 C ATOM 948 CD LYS A 248 -19.589 32.427 11.902 1.00 0.00 C ATOM 949 CE LYS A 248 -20.694 31.974 10.945 1.00 0.00 C ATOM 950 NZ LYS A 248 -20.146 31.608 9.626 1.00 0.00 N ATOM 0 H LYS A 248 -17.831 34.089 16.133 1.00 0.00 H new ATOM 0 HA LYS A 248 -18.452 31.559 14.924 1.00 0.00 H new ATOM 0 HB2 LYS A 248 -19.783 33.778 15.126 1.00 0.00 H new ATOM 0 HB3 LYS A 248 -18.804 34.332 13.783 1.00 0.00 H new ATOM 0 HG2 LYS A 248 -20.568 31.853 13.725 1.00 0.00 H new ATOM 0 HG3 LYS A 248 -21.046 33.427 13.121 1.00 0.00 H new ATOM 0 HD2 LYS A 248 -19.076 33.297 11.493 1.00 0.00 H new ATOM 0 HD3 LYS A 248 -18.844 31.639 12.009 1.00 0.00 H new ATOM 0 HE2 LYS A 248 -21.220 31.120 11.372 1.00 0.00 H new ATOM 0 HE3 LYS A 248 -21.426 32.773 10.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 248 -20.920 31.305 9.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 248 -19.665 32.431 9.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 248 -19.466 30.829 9.737 1.00 0.00 H new ATOM 964 N LYS A 249 -16.555 31.143 13.425 1.00 0.00 N ATOM 965 CA LYS A 249 -15.520 30.696 12.485 1.00 0.00 C ATOM 966 C LYS A 249 -14.131 31.288 12.768 1.00 0.00 C ATOM 967 O LYS A 249 -13.311 30.526 13.325 1.00 0.00 O ATOM 968 CB LYS A 249 -15.995 30.887 11.030 1.00 0.00 C ATOM 969 CG LYS A 249 -14.998 30.403 9.960 1.00 0.00 C ATOM 970 CD LYS A 249 -14.663 28.905 10.060 1.00 0.00 C ATOM 971 CE LYS A 249 -13.660 28.471 8.985 1.00 0.00 C ATOM 972 NZ LYS A 249 -14.221 28.563 7.623 1.00 0.00 N ATOM 973 OXT LYS A 249 -13.884 32.453 12.386 1.00 0.00 O ATOM 0 H LYS A 249 -17.002 30.353 13.890 1.00 0.00 H new ATOM 0 HA LYS A 249 -15.377 29.627 12.641 1.00 0.00 H new ATOM 0 HB2 LYS A 249 -16.937 30.355 10.897 1.00 0.00 H new ATOM 0 HB3 LYS A 249 -16.200 31.945 10.865 1.00 0.00 H new ATOM 0 HG2 LYS A 249 -15.410 30.609 8.972 1.00 0.00 H new ATOM 0 HG3 LYS A 249 -14.077 30.979 10.047 1.00 0.00 H new ATOM 0 HD2 LYS A 249 -14.253 28.690 11.047 1.00 0.00 H new ATOM 0 HD3 LYS A 249 -15.578 28.321 9.960 1.00 0.00 H new ATOM 0 HE2 LYS A 249 -12.768 29.095 9.051 1.00 0.00 H new ATOM 0 HE3 LYS A 249 -13.346 27.445 9.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 249 -13.559 28.134 6.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 249 -15.129 28.058 7.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 249 -14.370 29.562 7.376 1.00 0.00 H new TER 987 LYS A 249 HETATM 988 ZN ZN A 250 -3.668 25.445 3.499 1.00 0.00 ZN HETATM 989 ZN ZN A 251 -1.861 26.257 17.380 1.00 0.00 ZN