USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 479 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 223 HIS HD1 : A 223 HIS ND1 : A 250 ZNZN :(H bumps) USER MOD Set 1.1: A 212 CYS SG : rot 150:sc= -1.31 USER MOD Set 1.2: A 214 ASN :FLIP amide:sc= 0.726 F(o=0.54,f=2.1) USER MOD Set 1.3: A 239 CYS SG : rot -87:sc= 1.25 USER MOD Set 1.4: A 242 CYS SG : rot -131:sc= 1.42 USER MOD Set 2.1: A 199 CYS SG : rot 10:sc= -1.67! USER MOD Set 2.2: A 203 GLN : amide:sc= 0.184 K(o=-1.5,f=-3.1) USER MOD Set 3.1: A 197 THR OG1 : rot 139:sc= 0.226 USER MOD Set 3.2: A 202 HIS : no HD1:sc= 0.201 K(o=0.43,f=-0.97) USER MOD Single : A 187 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 189 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 194 ASN : amide:sc= -0.225 X(o=-0.23,f=0) USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 205 SER OG : rot 180:sc= 0.0034 USER MOD Single : A 206 TYR OH : rot 165:sc= 0 USER MOD Single : A 209 MET CE :methyl -142:sc= -0.151 (180deg=-1.39) USER MOD Single : A 218 SER OG : rot -45:sc= 0.318 USER MOD Single : A 226 CYS SG : rot 160:sc= 0 USER MOD Single : A 230 THR OG1 : rot 180:sc= 0 USER MOD Single : A 231 THR OG1 : rot 180:sc= 0 USER MOD Single : A 232 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 236 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 243 SER OG : rot 180:sc= 0 USER MOD Single : A 244 GLN : amide:sc= 0.426 K(o=0.43,f=-1.8!) USER MOD Single : A 247 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 248 LYS NZ :NH3+ -179:sc= 0 (180deg=-2.63e-05) USER MOD Single : A 249 LYS NZ :NH3+ -145:sc= 0.593 (180deg=-0.159) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 187 -3.155 3.946 -5.550 1.00 0.00 N ATOM 2 CA MET A 187 -2.216 5.082 -5.580 1.00 0.00 C ATOM 3 C MET A 187 -1.069 4.834 -4.607 1.00 0.00 C ATOM 4 O MET A 187 -1.297 4.610 -3.419 1.00 0.00 O ATOM 5 CB MET A 187 -2.913 6.415 -5.271 1.00 0.00 C ATOM 6 CG MET A 187 -3.862 6.826 -6.401 1.00 0.00 C ATOM 7 SD MET A 187 -4.649 8.437 -6.142 1.00 0.00 S ATOM 8 CE MET A 187 -5.574 8.570 -7.693 1.00 0.00 C ATOM 0 HA MET A 187 -1.818 5.159 -6.592 1.00 0.00 H new ATOM 0 HB2 MET A 187 -3.471 6.328 -4.339 1.00 0.00 H new ATOM 0 HB3 MET A 187 -2.164 7.193 -5.122 1.00 0.00 H new ATOM 0 HG2 MET A 187 -3.307 6.849 -7.339 1.00 0.00 H new ATOM 0 HG3 MET A 187 -4.636 6.066 -6.507 1.00 0.00 H new ATOM 0 HE1 MET A 187 -6.125 9.511 -7.709 1.00 0.00 H new ATOM 0 HE2 MET A 187 -4.881 8.541 -8.534 1.00 0.00 H new ATOM 0 HE3 MET A 187 -6.274 7.738 -7.772 1.00 0.00 H new ATOM 20 N ASP A 188 0.155 4.858 -5.143 1.00 0.00 N ATOM 21 CA ASP A 188 1.393 4.556 -4.430 1.00 0.00 C ATOM 22 C ASP A 188 2.581 5.253 -5.111 1.00 0.00 C ATOM 23 O ASP A 188 2.466 5.747 -6.235 1.00 0.00 O ATOM 24 CB ASP A 188 1.593 3.030 -4.371 1.00 0.00 C ATOM 25 CG ASP A 188 1.617 2.376 -5.756 1.00 0.00 C ATOM 26 OD1 ASP A 188 0.517 2.028 -6.243 1.00 0.00 O ATOM 27 OD2 ASP A 188 2.732 2.236 -6.304 1.00 0.00 O ATOM 0 H ASP A 188 0.313 5.098 -6.122 1.00 0.00 H new ATOM 0 HA ASP A 188 1.330 4.933 -3.409 1.00 0.00 H new ATOM 0 HB2 ASP A 188 2.528 2.811 -3.856 1.00 0.00 H new ATOM 0 HB3 ASP A 188 0.792 2.587 -3.780 1.00 0.00 H new ATOM 32 N MET A 189 3.723 5.292 -4.412 1.00 0.00 N ATOM 33 CA MET A 189 4.936 5.977 -4.847 1.00 0.00 C ATOM 34 C MET A 189 6.185 5.328 -4.216 1.00 0.00 C ATOM 35 O MET A 189 6.081 4.739 -3.138 1.00 0.00 O ATOM 36 CB MET A 189 4.841 7.482 -4.507 1.00 0.00 C ATOM 37 CG MET A 189 4.727 7.832 -3.015 1.00 0.00 C ATOM 38 SD MET A 189 3.108 7.559 -2.241 1.00 0.00 S ATOM 39 CE MET A 189 3.477 8.144 -0.568 1.00 0.00 C ATOM 0 H MET A 189 3.826 4.835 -3.506 1.00 0.00 H new ATOM 0 HA MET A 189 5.033 5.880 -5.928 1.00 0.00 H new ATOM 0 HB2 MET A 189 5.722 7.981 -4.910 1.00 0.00 H new ATOM 0 HB3 MET A 189 3.975 7.897 -5.024 1.00 0.00 H new ATOM 0 HG2 MET A 189 5.469 7.248 -2.470 1.00 0.00 H new ATOM 0 HG3 MET A 189 4.993 8.882 -2.889 1.00 0.00 H new ATOM 0 HE1 MET A 189 2.587 8.050 0.055 1.00 0.00 H new ATOM 0 HE2 MET A 189 4.283 7.546 -0.143 1.00 0.00 H new ATOM 0 HE3 MET A 189 3.783 9.189 -0.607 1.00 0.00 H new ATOM 49 N PRO A 190 7.373 5.442 -4.851 1.00 0.00 N ATOM 50 CA PRO A 190 8.629 4.849 -4.382 1.00 0.00 C ATOM 51 C PRO A 190 9.321 5.690 -3.284 1.00 0.00 C ATOM 52 O PRO A 190 10.550 5.729 -3.218 1.00 0.00 O ATOM 53 CB PRO A 190 9.475 4.707 -5.657 1.00 0.00 C ATOM 54 CG PRO A 190 9.073 5.939 -6.460 1.00 0.00 C ATOM 55 CD PRO A 190 7.578 6.042 -6.166 1.00 0.00 C ATOM 0 HA PRO A 190 8.471 3.890 -3.889 1.00 0.00 H new ATOM 0 HB2 PRO A 190 10.542 4.697 -5.436 1.00 0.00 H new ATOM 0 HB3 PRO A 190 9.251 3.784 -6.191 1.00 0.00 H new ATOM 0 HG2 PRO A 190 9.614 6.829 -6.138 1.00 0.00 H new ATOM 0 HG3 PRO A 190 9.271 5.814 -7.525 1.00 0.00 H new ATOM 0 HD2 PRO A 190 7.252 7.082 -6.173 1.00 0.00 H new ATOM 0 HD3 PRO A 190 6.996 5.520 -6.926 1.00 0.00 H new ATOM 63 N VAL A 191 8.544 6.380 -2.435 1.00 0.00 N ATOM 64 CA VAL A 191 9.033 7.226 -1.352 1.00 0.00 C ATOM 65 C VAL A 191 8.088 7.122 -0.153 1.00 0.00 C ATOM 66 O VAL A 191 6.865 7.063 -0.287 1.00 0.00 O ATOM 67 CB VAL A 191 9.238 8.678 -1.842 1.00 0.00 C ATOM 68 CG1 VAL A 191 7.970 9.332 -2.417 1.00 0.00 C ATOM 69 CG2 VAL A 191 9.824 9.579 -0.744 1.00 0.00 C ATOM 0 H VAL A 191 7.526 6.359 -2.491 1.00 0.00 H new ATOM 0 HA VAL A 191 10.012 6.878 -1.023 1.00 0.00 H new ATOM 0 HB VAL A 191 9.953 8.588 -2.660 1.00 0.00 H new ATOM 0 HG11 VAL A 191 8.198 10.348 -2.738 1.00 0.00 H new ATOM 0 HG12 VAL A 191 7.617 8.753 -3.270 1.00 0.00 H new ATOM 0 HG13 VAL A 191 7.195 9.359 -1.651 1.00 0.00 H new ATOM 0 HG21 VAL A 191 9.951 10.590 -1.132 1.00 0.00 H new ATOM 0 HG22 VAL A 191 9.146 9.601 0.109 1.00 0.00 H new ATOM 0 HG23 VAL A 191 10.791 9.187 -0.429 1.00 0.00 H new ATOM 79 N ASP A 192 8.710 7.087 1.024 1.00 0.00 N ATOM 80 CA ASP A 192 8.072 6.931 2.327 1.00 0.00 C ATOM 81 C ASP A 192 7.303 8.196 2.755 1.00 0.00 C ATOM 82 O ASP A 192 7.645 9.297 2.319 1.00 0.00 O ATOM 83 CB ASP A 192 9.163 6.615 3.364 1.00 0.00 C ATOM 84 CG ASP A 192 9.847 5.279 3.076 1.00 0.00 C ATOM 85 OD1 ASP A 192 9.261 4.245 3.466 1.00 0.00 O ATOM 86 OD2 ASP A 192 10.934 5.314 2.459 1.00 0.00 O ATOM 0 H ASP A 192 9.724 7.171 1.097 1.00 0.00 H new ATOM 0 HA ASP A 192 7.346 6.121 2.261 1.00 0.00 H new ATOM 0 HB2 ASP A 192 9.907 7.412 3.364 1.00 0.00 H new ATOM 0 HB3 ASP A 192 8.722 6.591 4.360 1.00 0.00 H new ATOM 91 N PRO A 193 6.320 8.072 3.672 1.00 0.00 N ATOM 92 CA PRO A 193 5.666 9.211 4.322 1.00 0.00 C ATOM 93 C PRO A 193 6.572 9.919 5.353 1.00 0.00 C ATOM 94 O PRO A 193 6.133 10.882 5.979 1.00 0.00 O ATOM 95 CB PRO A 193 4.414 8.620 4.979 1.00 0.00 C ATOM 96 CG PRO A 193 4.850 7.202 5.340 1.00 0.00 C ATOM 97 CD PRO A 193 5.760 6.822 4.174 1.00 0.00 C ATOM 0 HA PRO A 193 5.427 9.991 3.599 1.00 0.00 H new ATOM 0 HB2 PRO A 193 4.116 9.187 5.861 1.00 0.00 H new ATOM 0 HB3 PRO A 193 3.563 8.619 4.298 1.00 0.00 H new ATOM 0 HG2 PRO A 193 5.379 7.171 6.293 1.00 0.00 H new ATOM 0 HG3 PRO A 193 3.999 6.526 5.426 1.00 0.00 H new ATOM 0 HD2 PRO A 193 6.549 6.145 4.501 1.00 0.00 H new ATOM 0 HD3 PRO A 193 5.199 6.306 3.395 1.00 0.00 H new ATOM 105 N ASN A 194 7.813 9.437 5.540 1.00 0.00 N ATOM 106 CA ASN A 194 8.846 9.994 6.407 1.00 0.00 C ATOM 107 C ASN A 194 9.387 11.310 5.819 1.00 0.00 C ATOM 108 O ASN A 194 10.434 11.332 5.170 1.00 0.00 O ATOM 109 CB ASN A 194 9.961 8.946 6.621 1.00 0.00 C ATOM 110 CG ASN A 194 9.489 7.574 7.119 1.00 0.00 C ATOM 111 OD1 ASN A 194 10.146 6.570 6.865 1.00 0.00 O ATOM 112 ND2 ASN A 194 8.363 7.502 7.827 1.00 0.00 N ATOM 0 H ASN A 194 8.133 8.597 5.057 1.00 0.00 H new ATOM 0 HA ASN A 194 8.421 10.233 7.382 1.00 0.00 H new ATOM 0 HB2 ASN A 194 10.492 8.808 5.679 1.00 0.00 H new ATOM 0 HB3 ASN A 194 10.679 9.346 7.337 1.00 0.00 H new ATOM 0 HD21 ASN A 194 8.032 6.600 8.169 1.00 0.00 H new ATOM 0 HD22 ASN A 194 7.831 8.349 8.027 1.00 0.00 H new ATOM 119 N GLU A 195 8.636 12.400 6.019 1.00 0.00 N ATOM 120 CA GLU A 195 8.854 13.697 5.388 1.00 0.00 C ATOM 121 C GLU A 195 8.319 14.797 6.326 1.00 0.00 C ATOM 122 O GLU A 195 7.235 14.625 6.889 1.00 0.00 O ATOM 123 CB GLU A 195 8.106 13.692 4.042 1.00 0.00 C ATOM 124 CG GLU A 195 8.339 14.958 3.211 1.00 0.00 C ATOM 125 CD GLU A 195 7.593 14.891 1.877 1.00 0.00 C ATOM 126 OE1 GLU A 195 6.346 14.991 1.910 1.00 0.00 O ATOM 127 OE2 GLU A 195 8.281 14.752 0.842 1.00 0.00 O ATOM 0 H GLU A 195 7.833 12.398 6.648 1.00 0.00 H new ATOM 0 HA GLU A 195 9.912 13.889 5.208 1.00 0.00 H new ATOM 0 HB2 GLU A 195 8.421 12.824 3.463 1.00 0.00 H new ATOM 0 HB3 GLU A 195 7.038 13.581 4.229 1.00 0.00 H new ATOM 0 HG2 GLU A 195 8.007 15.831 3.773 1.00 0.00 H new ATOM 0 HG3 GLU A 195 9.406 15.084 3.028 1.00 0.00 H new ATOM 134 N PRO A 196 9.039 15.925 6.511 1.00 0.00 N ATOM 135 CA PRO A 196 8.621 16.992 7.415 1.00 0.00 C ATOM 136 C PRO A 196 7.436 17.793 6.859 1.00 0.00 C ATOM 137 O PRO A 196 7.230 17.875 5.647 1.00 0.00 O ATOM 138 CB PRO A 196 9.861 17.873 7.607 1.00 0.00 C ATOM 139 CG PRO A 196 10.630 17.688 6.302 1.00 0.00 C ATOM 140 CD PRO A 196 10.342 16.233 5.938 1.00 0.00 C ATOM 0 HA PRO A 196 8.264 16.588 8.362 1.00 0.00 H new ATOM 0 HB2 PRO A 196 9.591 18.916 7.770 1.00 0.00 H new ATOM 0 HB3 PRO A 196 10.449 17.557 8.469 1.00 0.00 H new ATOM 0 HG2 PRO A 196 10.284 18.374 5.529 1.00 0.00 H new ATOM 0 HG3 PRO A 196 11.697 17.868 6.433 1.00 0.00 H new ATOM 0 HD2 PRO A 196 10.335 16.096 4.857 1.00 0.00 H new ATOM 0 HD3 PRO A 196 11.110 15.571 6.338 1.00 0.00 H new ATOM 148 N THR A 197 6.670 18.403 7.774 1.00 0.00 N ATOM 149 CA THR A 197 5.471 19.186 7.501 1.00 0.00 C ATOM 150 C THR A 197 5.383 20.347 8.504 1.00 0.00 C ATOM 151 O THR A 197 6.172 20.432 9.447 1.00 0.00 O ATOM 152 CB THR A 197 4.206 18.300 7.576 1.00 0.00 C ATOM 153 OG1 THR A 197 3.943 17.881 8.900 1.00 0.00 O ATOM 154 CG2 THR A 197 4.253 17.054 6.683 1.00 0.00 C ATOM 0 H THR A 197 6.885 18.358 8.770 1.00 0.00 H new ATOM 0 HA THR A 197 5.531 19.589 6.490 1.00 0.00 H new ATOM 0 HB THR A 197 3.408 18.945 7.208 1.00 0.00 H new ATOM 0 HG1 THR A 197 2.980 17.932 9.074 1.00 0.00 H new ATOM 0 HG21 THR A 197 3.327 16.490 6.797 1.00 0.00 H new ATOM 0 HG22 THR A 197 4.368 17.356 5.642 1.00 0.00 H new ATOM 0 HG23 THR A 197 5.097 16.429 6.975 1.00 0.00 H new ATOM 162 N TYR A 198 4.397 21.227 8.296 1.00 0.00 N ATOM 163 CA TYR A 198 4.193 22.432 9.102 1.00 0.00 C ATOM 164 C TYR A 198 2.717 22.647 9.470 1.00 0.00 C ATOM 165 O TYR A 198 2.352 22.427 10.619 1.00 0.00 O ATOM 166 CB TYR A 198 4.783 23.636 8.345 1.00 0.00 C ATOM 167 CG TYR A 198 6.286 23.836 8.443 1.00 0.00 C ATOM 168 CD1 TYR A 198 6.947 23.762 9.687 1.00 0.00 C ATOM 169 CD2 TYR A 198 7.016 24.184 7.289 1.00 0.00 C ATOM 170 CE1 TYR A 198 8.326 24.016 9.778 1.00 0.00 C ATOM 171 CE2 TYR A 198 8.395 24.447 7.374 1.00 0.00 C ATOM 172 CZ TYR A 198 9.057 24.360 8.619 1.00 0.00 C ATOM 173 OH TYR A 198 10.392 24.622 8.708 1.00 0.00 O ATOM 0 H TYR A 198 3.709 21.119 7.551 1.00 0.00 H new ATOM 0 HA TYR A 198 4.712 22.315 10.053 1.00 0.00 H new ATOM 0 HB2 TYR A 198 4.521 23.537 7.292 1.00 0.00 H new ATOM 0 HB3 TYR A 198 4.295 24.540 8.711 1.00 0.00 H new ATOM 0 HD1 TYR A 198 6.389 23.508 10.576 1.00 0.00 H new ATOM 0 HD2 TYR A 198 6.514 24.249 6.335 1.00 0.00 H new ATOM 0 HE1 TYR A 198 8.826 23.948 10.733 1.00 0.00 H new ATOM 0 HE2 TYR A 198 8.949 24.716 6.486 1.00 0.00 H new ATOM 0 HH TYR A 198 10.742 24.841 7.819 1.00 0.00 H new ATOM 183 N CYS A 199 1.881 23.049 8.505 1.00 0.00 N ATOM 184 CA CYS A 199 0.439 23.254 8.558 1.00 0.00 C ATOM 185 C CYS A 199 -0.352 22.072 9.116 1.00 0.00 C ATOM 186 O CYS A 199 0.115 20.934 9.110 1.00 0.00 O ATOM 187 CB CYS A 199 -0.040 23.532 7.126 1.00 0.00 C ATOM 188 SG CYS A 199 0.730 22.414 5.931 1.00 0.00 S ATOM 0 H CYS A 199 2.241 23.259 7.574 1.00 0.00 H new ATOM 0 HA CYS A 199 0.258 24.084 9.241 1.00 0.00 H new ATOM 0 HB2 CYS A 199 -1.124 23.425 7.078 1.00 0.00 H new ATOM 0 HB3 CYS A 199 0.190 24.563 6.859 1.00 0.00 H new ATOM 0 HG CYS A 199 1.368 21.474 6.564 1.00 0.00 H new ATOM 193 N LEU A 200 -1.610 22.355 9.492 1.00 0.00 N ATOM 194 CA LEU A 200 -2.604 21.325 9.794 1.00 0.00 C ATOM 195 C LEU A 200 -3.042 20.559 8.532 1.00 0.00 C ATOM 196 O LEU A 200 -3.771 19.575 8.638 1.00 0.00 O ATOM 197 CB LEU A 200 -3.786 21.888 10.608 1.00 0.00 C ATOM 198 CG LEU A 200 -4.643 22.953 9.898 1.00 0.00 C ATOM 199 CD1 LEU A 200 -5.611 22.393 8.841 1.00 0.00 C ATOM 200 CD2 LEU A 200 -5.487 23.728 10.922 1.00 0.00 C ATOM 0 H LEU A 200 -1.962 23.307 9.594 1.00 0.00 H new ATOM 0 HA LEU A 200 -2.124 20.587 10.437 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -4.434 21.059 10.893 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -3.395 22.319 11.530 1.00 0.00 H new ATOM 0 HG LEU A 200 -3.922 23.592 9.388 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -6.173 23.212 8.392 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -5.045 21.875 8.067 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -6.302 21.695 9.314 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -6.087 24.477 10.406 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -6.144 23.037 11.450 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -4.829 24.221 11.638 1.00 0.00 H new ATOM 212 N CYS A 201 -2.605 21.014 7.346 1.00 0.00 N ATOM 213 CA CYS A 201 -2.792 20.327 6.079 1.00 0.00 C ATOM 214 C CYS A 201 -1.808 19.155 5.937 1.00 0.00 C ATOM 215 O CYS A 201 -2.142 18.141 5.329 1.00 0.00 O ATOM 216 CB CYS A 201 -2.557 21.344 4.964 1.00 0.00 C ATOM 217 SG CYS A 201 -3.784 22.682 4.976 1.00 0.00 S ATOM 0 H CYS A 201 -2.099 21.895 7.251 1.00 0.00 H new ATOM 0 HA CYS A 201 -3.800 19.916 6.025 1.00 0.00 H new ATOM 0 HB2 CYS A 201 -1.559 21.769 5.069 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -2.587 20.836 4.000 1.00 0.00 H new ATOM 223 N HIS A 202 -0.628 19.300 6.554 1.00 0.00 N ATOM 224 CA HIS A 202 0.396 18.285 6.758 1.00 0.00 C ATOM 225 C HIS A 202 1.090 17.861 5.467 1.00 0.00 C ATOM 226 O HIS A 202 1.120 16.688 5.098 1.00 0.00 O ATOM 227 CB HIS A 202 -0.063 17.139 7.673 1.00 0.00 C ATOM 228 CG HIS A 202 -0.187 17.573 9.110 1.00 0.00 C ATOM 229 ND1 HIS A 202 0.851 17.927 9.942 1.00 0.00 N ATOM 230 CD2 HIS A 202 -1.343 17.717 9.825 1.00 0.00 C ATOM 231 CE1 HIS A 202 0.322 18.285 11.124 1.00 0.00 C ATOM 232 NE2 HIS A 202 -1.016 18.171 11.106 1.00 0.00 N ATOM 0 H HIS A 202 -0.351 20.198 6.950 1.00 0.00 H new ATOM 0 HA HIS A 202 1.194 18.761 7.328 1.00 0.00 H new ATOM 0 HB2 HIS A 202 -1.024 16.761 7.325 1.00 0.00 H new ATOM 0 HB3 HIS A 202 0.647 16.315 7.604 1.00 0.00 H new ATOM 0 HD2 HIS A 202 -2.340 17.514 9.462 1.00 0.00 H new ATOM 0 HE1 HIS A 202 0.896 18.620 11.975 1.00 0.00 H new ATOM 0 HE2 HIS A 202 -1.661 18.374 11.870 1.00 0.00 H new ATOM 240 N GLN A 203 1.677 18.865 4.807 1.00 0.00 N ATOM 241 CA GLN A 203 2.628 18.706 3.722 1.00 0.00 C ATOM 242 C GLN A 203 3.797 19.690 3.917 1.00 0.00 C ATOM 243 O GLN A 203 3.762 20.537 4.814 1.00 0.00 O ATOM 244 CB GLN A 203 1.918 18.772 2.355 1.00 0.00 C ATOM 245 CG GLN A 203 1.740 20.164 1.733 1.00 0.00 C ATOM 246 CD GLN A 203 1.081 21.195 2.638 1.00 0.00 C ATOM 247 OE1 GLN A 203 -0.054 21.028 3.073 1.00 0.00 O ATOM 248 NE2 GLN A 203 1.795 22.282 2.914 1.00 0.00 N ATOM 0 H GLN A 203 1.490 19.843 5.028 1.00 0.00 H new ATOM 0 HA GLN A 203 3.076 17.712 3.738 1.00 0.00 H new ATOM 0 HB2 GLN A 203 2.477 18.155 1.652 1.00 0.00 H new ATOM 0 HB3 GLN A 203 0.932 18.319 2.462 1.00 0.00 H new ATOM 0 HG2 GLN A 203 2.719 20.539 1.433 1.00 0.00 H new ATOM 0 HG3 GLN A 203 1.144 20.066 0.825 1.00 0.00 H new ATOM 0 HE21 GLN A 203 2.736 22.384 2.533 1.00 0.00 H new ATOM 0 HE22 GLN A 203 1.402 23.013 3.506 1.00 0.00 H new ATOM 257 N VAL A 204 4.845 19.549 3.094 1.00 0.00 N ATOM 258 CA VAL A 204 6.095 20.318 3.178 1.00 0.00 C ATOM 259 C VAL A 204 5.865 21.825 2.917 1.00 0.00 C ATOM 260 O VAL A 204 4.755 22.252 2.597 1.00 0.00 O ATOM 261 CB VAL A 204 7.189 19.734 2.232 1.00 0.00 C ATOM 262 CG1 VAL A 204 8.588 19.818 2.876 1.00 0.00 C ATOM 263 CG2 VAL A 204 6.974 18.262 1.835 1.00 0.00 C ATOM 0 H VAL A 204 4.847 18.876 2.328 1.00 0.00 H new ATOM 0 HA VAL A 204 6.461 20.224 4.201 1.00 0.00 H new ATOM 0 HB VAL A 204 7.112 20.350 1.336 1.00 0.00 H new ATOM 0 HG11 VAL A 204 9.329 19.403 2.192 1.00 0.00 H new ATOM 0 HG12 VAL A 204 8.830 20.860 3.085 1.00 0.00 H new ATOM 0 HG13 VAL A 204 8.595 19.250 3.806 1.00 0.00 H new ATOM 0 HG21 VAL A 204 7.782 17.941 1.177 1.00 0.00 H new ATOM 0 HG22 VAL A 204 6.967 17.641 2.731 1.00 0.00 H new ATOM 0 HG23 VAL A 204 6.021 18.161 1.316 1.00 0.00 H new ATOM 273 N SER A 205 6.936 22.619 3.061 1.00 0.00 N ATOM 274 CA SER A 205 6.991 24.081 3.008 1.00 0.00 C ATOM 275 C SER A 205 6.212 24.724 1.852 1.00 0.00 C ATOM 276 O SER A 205 6.017 24.131 0.790 1.00 0.00 O ATOM 277 CB SER A 205 8.460 24.521 2.932 1.00 0.00 C ATOM 278 OG SER A 205 9.221 23.970 3.988 1.00 0.00 O ATOM 0 H SER A 205 7.859 22.219 3.231 1.00 0.00 H new ATOM 0 HA SER A 205 6.502 24.429 3.918 1.00 0.00 H new ATOM 0 HB2 SER A 205 8.884 24.212 1.977 1.00 0.00 H new ATOM 0 HB3 SER A 205 8.518 25.609 2.970 1.00 0.00 H new ATOM 0 HG SER A 205 10.152 24.268 3.911 1.00 0.00 H new ATOM 284 N TYR A 206 5.809 25.979 2.080 1.00 0.00 N ATOM 285 CA TYR A 206 4.944 26.776 1.214 1.00 0.00 C ATOM 286 C TYR A 206 5.411 28.235 1.205 1.00 0.00 C ATOM 287 O TYR A 206 6.120 28.680 2.109 1.00 0.00 O ATOM 288 CB TYR A 206 3.470 26.644 1.655 1.00 0.00 C ATOM 289 CG TYR A 206 3.223 26.504 3.151 1.00 0.00 C ATOM 290 CD1 TYR A 206 3.277 25.224 3.735 1.00 0.00 C ATOM 291 CD2 TYR A 206 2.945 27.623 3.960 1.00 0.00 C ATOM 292 CE1 TYR A 206 3.063 25.050 5.110 1.00 0.00 C ATOM 293 CE2 TYR A 206 2.744 27.457 5.342 1.00 0.00 C ATOM 294 CZ TYR A 206 2.789 26.171 5.919 1.00 0.00 C ATOM 295 OH TYR A 206 2.579 26.017 7.255 1.00 0.00 O ATOM 0 H TYR A 206 6.094 26.489 2.917 1.00 0.00 H new ATOM 0 HA TYR A 206 5.011 26.400 0.193 1.00 0.00 H new ATOM 0 HB2 TYR A 206 2.927 27.519 1.299 1.00 0.00 H new ATOM 0 HB3 TYR A 206 3.040 25.777 1.155 1.00 0.00 H new ATOM 0 HD1 TYR A 206 3.486 24.364 3.116 1.00 0.00 H new ATOM 0 HD2 TYR A 206 2.886 28.607 3.520 1.00 0.00 H new ATOM 0 HE1 TYR A 206 3.108 24.063 5.546 1.00 0.00 H new ATOM 0 HE2 TYR A 206 2.554 28.319 5.965 1.00 0.00 H new ATOM 0 HH TYR A 206 2.643 26.888 7.699 1.00 0.00 H new ATOM 305 N GLY A 207 5.020 28.963 0.150 1.00 0.00 N ATOM 306 CA GLY A 207 5.526 30.296 -0.159 1.00 0.00 C ATOM 307 C GLY A 207 5.214 31.344 0.908 1.00 0.00 C ATOM 308 O GLY A 207 6.057 32.202 1.168 1.00 0.00 O ATOM 0 H GLY A 207 4.329 28.630 -0.522 1.00 0.00 H new ATOM 0 HA2 GLY A 207 6.606 30.241 -0.294 1.00 0.00 H new ATOM 0 HA3 GLY A 207 5.102 30.623 -1.109 1.00 0.00 H new ATOM 312 N GLU A 208 4.033 31.262 1.537 1.00 0.00 N ATOM 313 CA GLU A 208 3.505 32.276 2.417 1.00 0.00 C ATOM 314 C GLU A 208 2.915 31.619 3.668 1.00 0.00 C ATOM 315 O GLU A 208 1.976 30.827 3.597 1.00 0.00 O ATOM 316 CB GLU A 208 2.536 33.127 1.591 1.00 0.00 C ATOM 317 CG GLU A 208 1.225 32.487 1.074 1.00 0.00 C ATOM 318 CD GLU A 208 1.451 31.322 0.103 1.00 0.00 C ATOM 319 OE1 GLU A 208 1.767 31.609 -1.071 1.00 0.00 O ATOM 320 OE2 GLU A 208 1.336 30.161 0.557 1.00 0.00 O ATOM 0 H GLU A 208 3.412 30.459 1.435 1.00 0.00 H new ATOM 0 HA GLU A 208 4.268 32.950 2.806 1.00 0.00 H new ATOM 0 HB2 GLU A 208 2.263 33.993 2.194 1.00 0.00 H new ATOM 0 HB3 GLU A 208 3.083 33.501 0.725 1.00 0.00 H new ATOM 0 HG2 GLU A 208 0.644 32.132 1.925 1.00 0.00 H new ATOM 0 HG3 GLU A 208 0.628 33.252 0.577 1.00 0.00 H new ATOM 327 N MET A 209 3.503 31.958 4.823 1.00 0.00 N ATOM 328 CA MET A 209 3.285 31.245 6.086 1.00 0.00 C ATOM 329 C MET A 209 3.089 32.186 7.283 1.00 0.00 C ATOM 330 O MET A 209 3.690 33.259 7.351 1.00 0.00 O ATOM 331 CB MET A 209 4.490 30.319 6.406 1.00 0.00 C ATOM 332 CG MET A 209 5.275 29.711 5.228 1.00 0.00 C ATOM 333 SD MET A 209 6.041 28.074 5.478 1.00 0.00 S ATOM 334 CE MET A 209 6.681 28.170 7.169 1.00 0.00 C ATOM 0 H MET A 209 4.149 32.743 4.906 1.00 0.00 H new ATOM 0 HA MET A 209 2.371 30.668 5.943 1.00 0.00 H new ATOM 0 HB2 MET A 209 5.193 30.886 7.017 1.00 0.00 H new ATOM 0 HB3 MET A 209 4.124 29.497 7.021 1.00 0.00 H new ATOM 0 HG2 MET A 209 4.599 29.639 4.376 1.00 0.00 H new ATOM 0 HG3 MET A 209 6.063 30.412 4.952 1.00 0.00 H new ATOM 0 HE1 MET A 209 7.641 27.656 7.224 1.00 0.00 H new ATOM 0 HE2 MET A 209 6.812 29.215 7.450 1.00 0.00 H new ATOM 0 HE3 MET A 209 5.976 27.696 7.852 1.00 0.00 H new ATOM 344 N ILE A 210 2.312 31.707 8.266 1.00 0.00 N ATOM 345 CA ILE A 210 2.137 32.291 9.596 1.00 0.00 C ATOM 346 C ILE A 210 1.921 31.184 10.632 1.00 0.00 C ATOM 347 O ILE A 210 1.366 30.137 10.318 1.00 0.00 O ATOM 348 CB ILE A 210 0.979 33.302 9.577 1.00 0.00 C ATOM 349 CG1 ILE A 210 0.859 34.016 10.939 1.00 0.00 C ATOM 350 CG2 ILE A 210 -0.364 32.688 9.126 1.00 0.00 C ATOM 351 CD1 ILE A 210 0.136 35.359 10.853 1.00 0.00 C ATOM 0 H ILE A 210 1.762 30.857 8.144 1.00 0.00 H new ATOM 0 HA ILE A 210 3.039 32.832 9.881 1.00 0.00 H new ATOM 0 HB ILE A 210 1.223 34.046 8.819 1.00 0.00 H new ATOM 0 HG12 ILE A 210 0.327 33.368 11.636 1.00 0.00 H new ATOM 0 HG13 ILE A 210 1.857 34.173 11.349 1.00 0.00 H new ATOM 0 HG21 ILE A 210 -1.137 33.456 9.136 1.00 0.00 H new ATOM 0 HG22 ILE A 210 -0.261 32.290 8.117 1.00 0.00 H new ATOM 0 HG23 ILE A 210 -0.643 31.884 9.807 1.00 0.00 H new ATOM 0 HD11 ILE A 210 0.085 35.809 11.844 1.00 0.00 H new ATOM 0 HD12 ILE A 210 0.680 36.023 10.181 1.00 0.00 H new ATOM 0 HD13 ILE A 210 -0.874 35.205 10.472 1.00 0.00 H new ATOM 363 N GLY A 211 2.352 31.425 11.874 1.00 0.00 N ATOM 364 CA GLY A 211 2.428 30.417 12.920 1.00 0.00 C ATOM 365 C GLY A 211 1.862 30.901 14.246 1.00 0.00 C ATOM 366 O GLY A 211 1.934 32.090 14.559 1.00 0.00 O ATOM 0 H GLY A 211 2.663 32.347 12.180 1.00 0.00 H new ATOM 0 HA2 GLY A 211 1.885 29.527 12.601 1.00 0.00 H new ATOM 0 HA3 GLY A 211 3.468 30.122 13.060 1.00 0.00 H new ATOM 370 N CYS A 212 1.270 29.962 15.003 1.00 0.00 N ATOM 371 CA CYS A 212 0.552 30.303 16.231 1.00 0.00 C ATOM 372 C CYS A 212 1.519 30.736 17.330 1.00 0.00 C ATOM 373 O CYS A 212 2.614 30.195 17.483 1.00 0.00 O ATOM 374 CB CYS A 212 -0.400 29.214 16.752 1.00 0.00 C ATOM 375 SG CYS A 212 -1.723 30.021 17.709 1.00 0.00 S ATOM 0 H CYS A 212 1.277 28.966 14.783 1.00 0.00 H new ATOM 0 HA CYS A 212 -0.090 31.139 15.952 1.00 0.00 H new ATOM 0 HB2 CYS A 212 -0.823 28.650 15.921 1.00 0.00 H new ATOM 0 HB3 CYS A 212 0.141 28.504 17.377 1.00 0.00 H new ATOM 0 HG CYS A 212 -2.813 29.318 17.621 1.00 0.00 H new ATOM 380 N ASP A 213 1.044 31.710 18.102 1.00 0.00 N ATOM 381 CA ASP A 213 1.787 32.402 19.151 1.00 0.00 C ATOM 382 C ASP A 213 1.783 31.650 20.497 1.00 0.00 C ATOM 383 O ASP A 213 2.460 32.074 21.432 1.00 0.00 O ATOM 384 CB ASP A 213 1.185 33.810 19.298 1.00 0.00 C ATOM 385 CG ASP A 213 2.064 34.752 20.122 1.00 0.00 C ATOM 386 OD1 ASP A 213 3.061 35.244 19.548 1.00 0.00 O ATOM 387 OD2 ASP A 213 1.707 34.996 21.295 1.00 0.00 O ATOM 0 H ASP A 213 0.088 32.054 18.009 1.00 0.00 H new ATOM 0 HA ASP A 213 2.836 32.456 18.860 1.00 0.00 H new ATOM 0 HB2 ASP A 213 1.031 34.239 18.308 1.00 0.00 H new ATOM 0 HB3 ASP A 213 0.204 33.733 19.768 1.00 0.00 H new ATOM 392 N ASN A 214 1.028 30.547 20.614 1.00 0.00 N ATOM 393 CA ASN A 214 0.767 29.906 21.901 1.00 0.00 C ATOM 394 C ASN A 214 2.002 29.148 22.420 1.00 0.00 C ATOM 395 O ASN A 214 2.714 28.539 21.618 1.00 0.00 O ATOM 396 CB ASN A 214 -0.400 28.909 21.793 1.00 0.00 C ATOM 397 CG ASN A 214 -1.674 29.453 21.153 1.00 0.00 C ATOM 398 OD1 ASN A 214 -2.502 28.547 20.635 1.00 0.00 O flip ATOM 399 ND2 ASN A 214 -1.914 30.654 21.113 1.00 0.00 N flip ATOM 0 H ASN A 214 0.586 30.081 19.822 1.00 0.00 H new ATOM 0 HA ASN A 214 0.514 30.704 22.599 1.00 0.00 H new ATOM 0 HB2 ASN A 214 -0.065 28.046 21.217 1.00 0.00 H new ATOM 0 HB3 ASN A 214 -0.642 28.550 22.793 1.00 0.00 H new ATOM 0 HD21 ASN A 214 -1.257 31.319 21.520 1.00 0.00 H new ATOM 0 HD22 ASN A 214 -2.771 30.988 20.673 1.00 0.00 H new ATOM 406 N PRO A 215 2.203 29.078 23.753 1.00 0.00 N ATOM 407 CA PRO A 215 3.197 28.212 24.389 1.00 0.00 C ATOM 408 C PRO A 215 2.759 26.730 24.420 1.00 0.00 C ATOM 409 O PRO A 215 3.404 25.917 25.081 1.00 0.00 O ATOM 410 CB PRO A 215 3.351 28.789 25.802 1.00 0.00 C ATOM 411 CG PRO A 215 1.943 29.287 26.120 1.00 0.00 C ATOM 412 CD PRO A 215 1.458 29.812 24.770 1.00 0.00 C ATOM 0 HA PRO A 215 4.137 28.202 23.837 1.00 0.00 H new ATOM 0 HB2 PRO A 215 3.683 28.033 26.514 1.00 0.00 H new ATOM 0 HB3 PRO A 215 4.082 29.597 25.831 1.00 0.00 H new ATOM 0 HG2 PRO A 215 1.306 28.486 26.495 1.00 0.00 H new ATOM 0 HG3 PRO A 215 1.952 30.069 26.879 1.00 0.00 H new ATOM 0 HD2 PRO A 215 0.385 29.656 24.655 1.00 0.00 H new ATOM 0 HD3 PRO A 215 1.635 30.884 24.683 1.00 0.00 H new ATOM 420 N ASP A 216 1.660 26.389 23.726 1.00 0.00 N ATOM 421 CA ASP A 216 0.967 25.103 23.787 1.00 0.00 C ATOM 422 C ASP A 216 0.592 24.573 22.389 1.00 0.00 C ATOM 423 O ASP A 216 0.148 23.431 22.270 1.00 0.00 O ATOM 424 CB ASP A 216 -0.270 25.293 24.683 1.00 0.00 C ATOM 425 CG ASP A 216 -1.033 23.995 24.952 1.00 0.00 C ATOM 426 OD1 ASP A 216 -0.465 23.134 25.659 1.00 0.00 O ATOM 427 OD2 ASP A 216 -2.177 23.892 24.455 1.00 0.00 O ATOM 0 H ASP A 216 1.214 27.038 23.078 1.00 0.00 H new ATOM 0 HA ASP A 216 1.626 24.344 24.209 1.00 0.00 H new ATOM 0 HB2 ASP A 216 0.043 25.725 25.634 1.00 0.00 H new ATOM 0 HB3 ASP A 216 -0.943 26.010 24.213 1.00 0.00 H new ATOM 432 N CYS A 217 0.797 25.364 21.322 1.00 0.00 N ATOM 433 CA CYS A 217 0.625 24.934 19.948 1.00 0.00 C ATOM 434 C CYS A 217 1.618 23.813 19.621 1.00 0.00 C ATOM 435 O CYS A 217 2.801 23.895 19.947 1.00 0.00 O ATOM 436 CB CYS A 217 0.781 26.135 19.010 1.00 0.00 C ATOM 437 SG CYS A 217 0.355 25.686 17.311 1.00 0.00 S ATOM 0 H CYS A 217 1.092 26.337 21.406 1.00 0.00 H new ATOM 0 HA CYS A 217 -0.378 24.531 19.807 1.00 0.00 H new ATOM 0 HB2 CYS A 217 0.140 26.950 19.347 1.00 0.00 H new ATOM 0 HB3 CYS A 217 1.807 26.500 19.048 1.00 0.00 H new ATOM 443 N SER A 218 1.102 22.787 18.939 1.00 0.00 N ATOM 444 CA SER A 218 1.809 21.558 18.578 1.00 0.00 C ATOM 445 C SER A 218 1.877 21.383 17.049 1.00 0.00 C ATOM 446 O SER A 218 2.235 20.311 16.563 1.00 0.00 O ATOM 447 CB SER A 218 1.119 20.381 19.282 1.00 0.00 C ATOM 448 OG SER A 218 1.895 19.206 19.186 1.00 0.00 O ATOM 0 H SER A 218 0.137 22.792 18.609 1.00 0.00 H new ATOM 0 HA SER A 218 2.845 21.605 18.913 1.00 0.00 H new ATOM 0 HB2 SER A 218 0.954 20.627 20.331 1.00 0.00 H new ATOM 0 HB3 SER A 218 0.139 20.211 18.836 1.00 0.00 H new ATOM 0 HG SER A 218 2.220 19.103 18.267 1.00 0.00 H new ATOM 454 N ILE A 219 1.547 22.450 16.305 1.00 0.00 N ATOM 455 CA ILE A 219 1.589 22.528 14.844 1.00 0.00 C ATOM 456 C ILE A 219 2.515 23.683 14.414 1.00 0.00 C ATOM 457 O ILE A 219 3.194 23.554 13.399 1.00 0.00 O ATOM 458 CB ILE A 219 0.154 22.691 14.273 1.00 0.00 C ATOM 459 CG1 ILE A 219 -0.879 21.665 14.802 1.00 0.00 C ATOM 460 CG2 ILE A 219 0.143 22.676 12.733 1.00 0.00 C ATOM 461 CD1 ILE A 219 -0.627 20.207 14.395 1.00 0.00 C ATOM 0 H ILE A 219 1.229 23.321 16.730 1.00 0.00 H new ATOM 0 HA ILE A 219 1.996 21.602 14.438 1.00 0.00 H new ATOM 0 HB ILE A 219 -0.161 23.668 14.639 1.00 0.00 H new ATOM 0 HG12 ILE A 219 -0.898 21.722 15.890 1.00 0.00 H new ATOM 0 HG13 ILE A 219 -1.868 21.957 14.450 1.00 0.00 H new ATOM 0 HG21 ILE A 219 -0.880 22.793 12.375 1.00 0.00 H new ATOM 0 HG22 ILE A 219 0.755 23.496 12.357 1.00 0.00 H new ATOM 0 HG23 ILE A 219 0.546 21.729 12.375 1.00 0.00 H new ATOM 0 HD11 ILE A 219 -1.406 19.572 14.817 1.00 0.00 H new ATOM 0 HD12 ILE A 219 -0.641 20.125 13.308 1.00 0.00 H new ATOM 0 HD13 ILE A 219 0.345 19.887 14.771 1.00 0.00 H new ATOM 473 N GLU A 220 2.573 24.759 15.226 1.00 0.00 N ATOM 474 CA GLU A 220 3.376 25.988 15.145 1.00 0.00 C ATOM 475 C GLU A 220 3.391 26.788 13.830 1.00 0.00 C ATOM 476 O GLU A 220 3.850 27.925 13.860 1.00 0.00 O ATOM 477 CB GLU A 220 4.796 25.760 15.701 1.00 0.00 C ATOM 478 CG GLU A 220 5.669 24.842 14.832 1.00 0.00 C ATOM 479 CD GLU A 220 7.154 24.991 15.165 1.00 0.00 C ATOM 480 OE1 GLU A 220 7.550 24.501 16.245 1.00 0.00 O ATOM 481 OE2 GLU A 220 7.868 25.593 14.333 1.00 0.00 O ATOM 0 H GLU A 220 1.982 24.785 16.057 1.00 0.00 H new ATOM 0 HA GLU A 220 2.814 26.667 15.786 1.00 0.00 H new ATOM 0 HB2 GLU A 220 5.293 26.724 15.805 1.00 0.00 H new ATOM 0 HB3 GLU A 220 4.719 25.331 16.700 1.00 0.00 H new ATOM 0 HG2 GLU A 220 5.365 23.805 14.979 1.00 0.00 H new ATOM 0 HG3 GLU A 220 5.507 25.075 13.780 1.00 0.00 H new ATOM 488 N TRP A 221 2.873 26.262 12.715 1.00 0.00 N ATOM 489 CA TRP A 221 2.813 26.912 11.419 1.00 0.00 C ATOM 490 C TRP A 221 1.547 26.523 10.658 1.00 0.00 C ATOM 491 O TRP A 221 0.965 25.471 10.902 1.00 0.00 O ATOM 492 CB TRP A 221 4.015 26.448 10.613 1.00 0.00 C ATOM 493 CG TRP A 221 5.293 27.158 10.866 1.00 0.00 C ATOM 494 CD1 TRP A 221 6.398 26.615 11.415 1.00 0.00 C ATOM 495 CD2 TRP A 221 5.645 28.529 10.525 1.00 0.00 C ATOM 496 NE1 TRP A 221 7.424 27.527 11.383 1.00 0.00 N ATOM 497 CE2 TRP A 221 7.032 28.709 10.786 1.00 0.00 C ATOM 498 CE3 TRP A 221 4.944 29.622 9.970 1.00 0.00 C ATOM 499 CZ2 TRP A 221 7.702 29.886 10.433 1.00 0.00 C ATOM 500 CZ3 TRP A 221 5.597 30.835 9.689 1.00 0.00 C ATOM 501 CH2 TRP A 221 6.981 30.961 9.893 1.00 0.00 C ATOM 0 H TRP A 221 2.467 25.326 12.700 1.00 0.00 H new ATOM 0 HA TRP A 221 2.809 27.992 11.564 1.00 0.00 H new ATOM 0 HB2 TRP A 221 4.169 25.387 10.809 1.00 0.00 H new ATOM 0 HB3 TRP A 221 3.774 26.545 9.554 1.00 0.00 H new ATOM 0 HD1 TRP A 221 6.466 25.615 11.818 1.00 0.00 H new ATOM 0 HE1 TRP A 221 8.358 27.353 11.754 1.00 0.00 H new ATOM 0 HE3 TRP A 221 3.889 29.525 9.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 221 8.770 29.966 10.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 221 5.031 31.675 9.314 1.00 0.00 H new ATOM 0 HH2 TRP A 221 7.487 31.880 9.636 1.00 0.00 H new ATOM 512 N PHE A 222 1.137 27.393 9.726 1.00 0.00 N ATOM 513 CA PHE A 222 -0.086 27.308 8.928 1.00 0.00 C ATOM 514 C PHE A 222 0.079 28.159 7.668 1.00 0.00 C ATOM 515 O PHE A 222 0.844 29.123 7.660 1.00 0.00 O ATOM 516 CB PHE A 222 -1.284 27.868 9.724 1.00 0.00 C ATOM 517 CG PHE A 222 -1.474 27.251 11.094 1.00 0.00 C ATOM 518 CD1 PHE A 222 -2.248 26.086 11.249 1.00 0.00 C ATOM 519 CD2 PHE A 222 -0.772 27.779 12.196 1.00 0.00 C ATOM 520 CE1 PHE A 222 -2.305 25.447 12.499 1.00 0.00 C ATOM 521 CE2 PHE A 222 -0.796 27.115 13.431 1.00 0.00 C ATOM 522 CZ PHE A 222 -1.578 25.961 13.585 1.00 0.00 C ATOM 0 H PHE A 222 1.685 28.223 9.498 1.00 0.00 H new ATOM 0 HA PHE A 222 -0.265 26.263 8.674 1.00 0.00 H new ATOM 0 HB2 PHE A 222 -1.156 28.944 9.839 1.00 0.00 H new ATOM 0 HB3 PHE A 222 -2.193 27.716 9.142 1.00 0.00 H new ATOM 0 HD1 PHE A 222 -2.796 25.684 10.410 1.00 0.00 H new ATOM 0 HD2 PHE A 222 -0.214 28.697 12.089 1.00 0.00 H new ATOM 0 HE1 PHE A 222 -2.908 24.560 12.625 1.00 0.00 H new ATOM 0 HE2 PHE A 222 -0.215 27.491 14.260 1.00 0.00 H new ATOM 0 HZ PHE A 222 -1.621 25.465 14.543 1.00 0.00 H new ATOM 532 N HIS A 223 -0.669 27.832 6.607 1.00 0.00 N ATOM 533 CA HIS A 223 -0.798 28.734 5.468 1.00 0.00 C ATOM 534 C HIS A 223 -1.645 29.936 5.892 1.00 0.00 C ATOM 535 O HIS A 223 -2.534 29.814 6.738 1.00 0.00 O ATOM 536 CB HIS A 223 -1.482 28.048 4.275 1.00 0.00 C ATOM 537 CG HIS A 223 -0.881 26.746 3.811 1.00 0.00 C ATOM 538 ND1 HIS A 223 -1.213 25.475 4.299 1.00 0.00 N ATOM 539 CD2 HIS A 223 -0.050 26.613 2.736 1.00 0.00 C ATOM 540 CE1 HIS A 223 -0.564 24.615 3.494 1.00 0.00 C ATOM 541 NE2 HIS A 223 0.145 25.268 2.559 1.00 0.00 N ATOM 0 H HIS A 223 -1.187 26.958 6.518 1.00 0.00 H new ATOM 0 HA HIS A 223 0.201 29.041 5.159 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -2.525 27.868 4.537 1.00 0.00 H new ATOM 0 HB3 HIS A 223 -1.480 28.743 3.435 1.00 0.00 H new ATOM 0 HD2 HIS A 223 0.371 27.411 2.142 1.00 0.00 H new ATOM 0 HE1 HIS A 223 -0.607 23.540 3.587 1.00 0.00 H new ATOM 0 HE2 HIS A 223 0.728 24.837 1.841 1.00 0.00 H new ATOM 549 N PHE A 224 -1.400 31.085 5.258 1.00 0.00 N ATOM 550 CA PHE A 224 -2.295 32.239 5.334 1.00 0.00 C ATOM 551 C PHE A 224 -3.698 31.830 4.903 1.00 0.00 C ATOM 552 O PHE A 224 -4.647 32.076 5.635 1.00 0.00 O ATOM 553 CB PHE A 224 -1.752 33.379 4.465 1.00 0.00 C ATOM 554 CG PHE A 224 -0.584 34.111 5.092 1.00 0.00 C ATOM 555 CD1 PHE A 224 -0.743 34.856 6.274 1.00 0.00 C ATOM 556 CD2 PHE A 224 0.681 34.030 4.498 1.00 0.00 C ATOM 557 CE1 PHE A 224 0.363 35.491 6.861 1.00 0.00 C ATOM 558 CE2 PHE A 224 1.787 34.669 5.073 1.00 0.00 C ATOM 559 CZ PHE A 224 1.632 35.377 6.269 1.00 0.00 C ATOM 0 H PHE A 224 -0.575 31.240 4.678 1.00 0.00 H new ATOM 0 HA PHE A 224 -2.347 32.597 6.362 1.00 0.00 H new ATOM 0 HB2 PHE A 224 -1.443 32.975 3.501 1.00 0.00 H new ATOM 0 HB3 PHE A 224 -2.554 34.091 4.270 1.00 0.00 H new ATOM 0 HD1 PHE A 224 -1.718 34.940 6.731 1.00 0.00 H new ATOM 0 HD2 PHE A 224 0.806 33.468 3.585 1.00 0.00 H new ATOM 0 HE1 PHE A 224 0.238 36.066 7.766 1.00 0.00 H new ATOM 0 HE2 PHE A 224 2.754 34.615 4.595 1.00 0.00 H new ATOM 0 HZ PHE A 224 2.489 35.837 6.738 1.00 0.00 H new ATOM 569 N ALA A 225 -3.821 31.115 3.784 1.00 0.00 N ATOM 570 CA ALA A 225 -5.092 30.615 3.287 1.00 0.00 C ATOM 571 C ALA A 225 -5.732 29.543 4.187 1.00 0.00 C ATOM 572 O ALA A 225 -6.920 29.271 4.028 1.00 0.00 O ATOM 573 CB ALA A 225 -4.897 30.092 1.861 1.00 0.00 C ATOM 0 H ALA A 225 -3.027 30.867 3.194 1.00 0.00 H new ATOM 0 HA ALA A 225 -5.795 31.448 3.292 1.00 0.00 H new ATOM 0 HB1 ALA A 225 -5.846 29.714 1.479 1.00 0.00 H new ATOM 0 HB2 ALA A 225 -4.545 30.901 1.222 1.00 0.00 H new ATOM 0 HB3 ALA A 225 -4.162 29.287 1.866 1.00 0.00 H new ATOM 579 N CYS A 226 -4.988 28.958 5.143 1.00 0.00 N ATOM 580 CA CYS A 226 -5.547 28.026 6.122 1.00 0.00 C ATOM 581 C CYS A 226 -6.523 28.719 7.090 1.00 0.00 C ATOM 582 O CYS A 226 -7.499 28.097 7.509 1.00 0.00 O ATOM 583 CB CYS A 226 -4.403 27.355 6.881 1.00 0.00 C ATOM 584 SG CYS A 226 -4.878 25.717 7.482 1.00 0.00 S ATOM 0 H CYS A 226 -3.987 29.121 5.253 1.00 0.00 H new ATOM 0 HA CYS A 226 -6.126 27.271 5.590 1.00 0.00 H new ATOM 0 HB2 CYS A 226 -3.534 27.267 6.228 1.00 0.00 H new ATOM 0 HB3 CYS A 226 -4.107 27.981 7.723 1.00 0.00 H new ATOM 0 HG CYS A 226 -3.810 25.019 7.731 1.00 0.00 H new ATOM 590 N VAL A 227 -6.287 30.009 7.388 1.00 0.00 N ATOM 591 CA VAL A 227 -7.178 30.895 8.142 1.00 0.00 C ATOM 592 C VAL A 227 -7.968 31.842 7.225 1.00 0.00 C ATOM 593 O VAL A 227 -8.954 32.447 7.645 1.00 0.00 O ATOM 594 CB VAL A 227 -6.354 31.645 9.216 1.00 0.00 C ATOM 595 CG1 VAL A 227 -5.364 32.668 8.641 1.00 0.00 C ATOM 596 CG2 VAL A 227 -7.232 32.328 10.276 1.00 0.00 C ATOM 0 H VAL A 227 -5.431 30.479 7.095 1.00 0.00 H new ATOM 0 HA VAL A 227 -7.935 30.295 8.646 1.00 0.00 H new ATOM 0 HB VAL A 227 -5.775 30.855 9.694 1.00 0.00 H new ATOM 0 HG11 VAL A 227 -4.825 33.151 9.456 1.00 0.00 H new ATOM 0 HG12 VAL A 227 -4.654 32.160 7.988 1.00 0.00 H new ATOM 0 HG13 VAL A 227 -5.909 33.420 8.070 1.00 0.00 H new ATOM 0 HG21 VAL A 227 -6.597 32.837 11.001 1.00 0.00 H new ATOM 0 HG22 VAL A 227 -7.886 33.054 9.794 1.00 0.00 H new ATOM 0 HG23 VAL A 227 -7.836 31.578 10.786 1.00 0.00 H new ATOM 606 N GLY A 228 -7.532 31.939 5.968 1.00 0.00 N ATOM 607 CA GLY A 228 -8.107 32.786 4.932 1.00 0.00 C ATOM 608 C GLY A 228 -7.489 34.187 4.884 1.00 0.00 C ATOM 609 O GLY A 228 -8.154 35.107 4.411 1.00 0.00 O ATOM 0 H GLY A 228 -6.731 31.403 5.633 1.00 0.00 H new ATOM 0 HA2 GLY A 228 -7.974 32.304 3.963 1.00 0.00 H new ATOM 0 HA3 GLY A 228 -9.180 32.875 5.099 1.00 0.00 H new ATOM 613 N LEU A 229 -6.260 34.373 5.398 1.00 0.00 N ATOM 614 CA LEU A 229 -5.581 35.662 5.404 1.00 0.00 C ATOM 615 C LEU A 229 -5.164 36.087 3.990 1.00 0.00 C ATOM 616 O LEU A 229 -4.985 35.261 3.095 1.00 0.00 O ATOM 617 CB LEU A 229 -4.360 35.638 6.349 1.00 0.00 C ATOM 618 CG LEU A 229 -4.647 36.169 7.769 1.00 0.00 C ATOM 619 CD1 LEU A 229 -3.434 35.933 8.680 1.00 0.00 C ATOM 620 CD2 LEU A 229 -4.966 37.674 7.781 1.00 0.00 C ATOM 0 H LEU A 229 -5.714 33.622 5.821 1.00 0.00 H new ATOM 0 HA LEU A 229 -6.289 36.402 5.777 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -3.993 34.614 6.424 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -3.561 36.232 5.906 1.00 0.00 H new ATOM 0 HG LEU A 229 -5.519 35.624 8.131 1.00 0.00 H new ATOM 0 HD11 LEU A 229 -3.650 36.312 9.679 1.00 0.00 H new ATOM 0 HD12 LEU A 229 -3.223 34.865 8.735 1.00 0.00 H new ATOM 0 HD13 LEU A 229 -2.567 36.454 8.274 1.00 0.00 H new ATOM 0 HD21 LEU A 229 -5.160 37.997 8.804 1.00 0.00 H new ATOM 0 HD22 LEU A 229 -4.118 38.229 7.380 1.00 0.00 H new ATOM 0 HD23 LEU A 229 -5.847 37.864 7.167 1.00 0.00 H new ATOM 632 N THR A 230 -4.970 37.402 3.838 1.00 0.00 N ATOM 633 CA THR A 230 -4.604 38.082 2.591 1.00 0.00 C ATOM 634 C THR A 230 -3.378 38.993 2.781 1.00 0.00 C ATOM 635 O THR A 230 -2.916 39.607 1.820 1.00 0.00 O ATOM 636 CB THR A 230 -5.803 38.899 2.068 1.00 0.00 C ATOM 637 OG1 THR A 230 -6.208 39.853 3.034 1.00 0.00 O ATOM 638 CG2 THR A 230 -7.005 38.016 1.702 1.00 0.00 C ATOM 0 H THR A 230 -5.069 38.051 4.618 1.00 0.00 H new ATOM 0 HA THR A 230 -4.338 37.321 1.857 1.00 0.00 H new ATOM 0 HB THR A 230 -5.465 39.399 1.160 1.00 0.00 H new ATOM 0 HG1 THR A 230 -6.968 40.366 2.689 1.00 0.00 H new ATOM 0 HG21 THR A 230 -7.820 38.643 1.340 1.00 0.00 H new ATOM 0 HG22 THR A 230 -6.715 37.312 0.922 1.00 0.00 H new ATOM 0 HG23 THR A 230 -7.334 37.466 2.584 1.00 0.00 H new ATOM 646 N THR A 231 -2.852 39.076 4.012 1.00 0.00 N ATOM 647 CA THR A 231 -1.683 39.861 4.398 1.00 0.00 C ATOM 648 C THR A 231 -1.006 39.212 5.618 1.00 0.00 C ATOM 649 O THR A 231 -1.570 38.310 6.242 1.00 0.00 O ATOM 650 CB THR A 231 -2.110 41.322 4.662 1.00 0.00 C ATOM 651 OG1 THR A 231 -0.972 42.152 4.767 1.00 0.00 O ATOM 652 CG2 THR A 231 -2.974 41.497 5.919 1.00 0.00 C ATOM 0 H THR A 231 -3.255 38.570 4.801 1.00 0.00 H new ATOM 0 HA THR A 231 -0.949 39.877 3.592 1.00 0.00 H new ATOM 0 HB THR A 231 -2.724 41.610 3.809 1.00 0.00 H new ATOM 0 HG1 THR A 231 -1.255 43.076 4.933 1.00 0.00 H new ATOM 0 HG21 THR A 231 -3.234 42.549 6.038 1.00 0.00 H new ATOM 0 HG22 THR A 231 -3.885 40.907 5.819 1.00 0.00 H new ATOM 0 HG23 THR A 231 -2.417 41.160 6.793 1.00 0.00 H new ATOM 660 N LYS A 232 0.194 39.695 5.970 1.00 0.00 N ATOM 661 CA LYS A 232 0.934 39.272 7.153 1.00 0.00 C ATOM 662 C LYS A 232 0.691 40.292 8.285 1.00 0.00 C ATOM 663 O LYS A 232 1.179 41.418 8.181 1.00 0.00 O ATOM 664 CB LYS A 232 2.423 39.126 6.794 1.00 0.00 C ATOM 665 CG LYS A 232 3.246 38.589 7.978 1.00 0.00 C ATOM 666 CD LYS A 232 4.725 38.362 7.633 1.00 0.00 C ATOM 667 CE LYS A 232 4.921 37.200 6.652 1.00 0.00 C ATOM 668 NZ LYS A 232 6.347 36.984 6.346 1.00 0.00 N ATOM 0 H LYS A 232 0.682 40.405 5.424 1.00 0.00 H new ATOM 0 HA LYS A 232 0.590 38.300 7.506 1.00 0.00 H new ATOM 0 HB2 LYS A 232 2.528 38.452 5.943 1.00 0.00 H new ATOM 0 HB3 LYS A 232 2.819 40.093 6.485 1.00 0.00 H new ATOM 0 HG2 LYS A 232 3.177 39.292 8.808 1.00 0.00 H new ATOM 0 HG3 LYS A 232 2.811 37.649 8.318 1.00 0.00 H new ATOM 0 HD2 LYS A 232 5.139 39.273 7.201 1.00 0.00 H new ATOM 0 HD3 LYS A 232 5.283 38.161 8.548 1.00 0.00 H new ATOM 0 HE2 LYS A 232 4.497 36.290 7.076 1.00 0.00 H new ATOM 0 HE3 LYS A 232 4.377 37.406 5.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 6.443 36.191 5.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 6.745 37.845 5.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 6.861 36.763 7.223 1.00 0.00 H new ATOM 682 N PRO A 233 -0.043 39.930 9.360 1.00 0.00 N ATOM 683 CA PRO A 233 -0.233 40.772 10.544 1.00 0.00 C ATOM 684 C PRO A 233 1.055 40.877 11.384 1.00 0.00 C ATOM 685 O PRO A 233 2.106 40.355 11.005 1.00 0.00 O ATOM 686 CB PRO A 233 -1.392 40.118 11.312 1.00 0.00 C ATOM 687 CG PRO A 233 -1.234 38.640 10.980 1.00 0.00 C ATOM 688 CD PRO A 233 -0.765 38.677 9.528 1.00 0.00 C ATOM 0 HA PRO A 233 -0.467 41.804 10.282 1.00 0.00 H new ATOM 0 HB2 PRO A 233 -1.319 40.301 12.384 1.00 0.00 H new ATOM 0 HB3 PRO A 233 -2.359 40.503 10.988 1.00 0.00 H new ATOM 0 HG2 PRO A 233 -0.506 38.154 11.629 1.00 0.00 H new ATOM 0 HG3 PRO A 233 -2.173 38.097 11.090 1.00 0.00 H new ATOM 0 HD2 PRO A 233 -0.122 37.826 9.306 1.00 0.00 H new ATOM 0 HD3 PRO A 233 -1.613 38.623 8.845 1.00 0.00 H new ATOM 696 N ARG A 234 0.971 41.562 12.534 1.00 0.00 N ATOM 697 CA ARG A 234 2.094 41.837 13.415 1.00 0.00 C ATOM 698 C ARG A 234 1.612 41.751 14.864 1.00 0.00 C ATOM 699 O ARG A 234 0.544 42.255 15.214 1.00 0.00 O ATOM 700 CB ARG A 234 2.669 43.229 13.090 1.00 0.00 C ATOM 701 CG ARG A 234 4.190 43.329 13.272 1.00 0.00 C ATOM 702 CD ARG A 234 4.945 42.501 12.221 1.00 0.00 C ATOM 703 NE ARG A 234 6.377 42.839 12.185 1.00 0.00 N ATOM 704 CZ ARG A 234 6.930 43.832 11.470 1.00 0.00 C ATOM 705 NH1 ARG A 234 6.198 44.649 10.708 1.00 0.00 N ATOM 706 NH2 ARG A 234 8.249 44.013 11.517 1.00 0.00 N ATOM 0 H ARG A 234 0.091 41.947 12.878 1.00 0.00 H new ATOM 0 HA ARG A 234 2.889 41.105 13.270 1.00 0.00 H new ATOM 0 HB2 ARG A 234 2.418 43.484 12.060 1.00 0.00 H new ATOM 0 HB3 ARG A 234 2.187 43.969 13.728 1.00 0.00 H new ATOM 0 HG2 ARG A 234 4.497 44.373 13.202 1.00 0.00 H new ATOM 0 HG3 ARG A 234 4.460 42.984 14.270 1.00 0.00 H new ATOM 0 HD2 ARG A 234 4.827 41.440 12.441 1.00 0.00 H new ATOM 0 HD3 ARG A 234 4.506 42.673 11.238 1.00 0.00 H new ATOM 0 HE ARG A 234 7.004 42.269 12.753 1.00 0.00 H new ATOM 0 HH11 ARG A 234 5.186 44.528 10.657 1.00 0.00 H new ATOM 0 HH12 ARG A 234 6.651 45.393 10.178 1.00 0.00 H new ATOM 0 HH21 ARG A 234 8.828 43.401 12.092 1.00 0.00 H new ATOM 0 HH22 ARG A 234 8.680 44.764 10.978 1.00 0.00 H new ATOM 720 N GLY A 235 2.423 41.080 15.681 1.00 0.00 N ATOM 721 CA GLY A 235 2.102 40.698 17.053 1.00 0.00 C ATOM 722 C GLY A 235 1.520 39.281 17.119 1.00 0.00 C ATOM 723 O GLY A 235 1.498 38.560 16.119 1.00 0.00 O ATOM 0 H GLY A 235 3.354 40.777 15.394 1.00 0.00 H new ATOM 0 HA2 GLY A 235 3.001 40.752 17.667 1.00 0.00 H new ATOM 0 HA3 GLY A 235 1.387 41.406 17.471 1.00 0.00 H new ATOM 727 N LYS A 236 1.047 38.891 18.313 1.00 0.00 N ATOM 728 CA LYS A 236 0.390 37.622 18.573 1.00 0.00 C ATOM 729 C LYS A 236 -0.807 37.405 17.648 1.00 0.00 C ATOM 730 O LYS A 236 -1.629 38.292 17.418 1.00 0.00 O ATOM 731 CB LYS A 236 0.012 37.464 20.061 1.00 0.00 C ATOM 732 CG LYS A 236 -1.075 38.381 20.652 1.00 0.00 C ATOM 733 CD LYS A 236 -0.615 39.828 20.890 1.00 0.00 C ATOM 734 CE LYS A 236 -1.656 40.632 21.677 1.00 0.00 C ATOM 735 NZ LYS A 236 -2.879 40.873 20.887 1.00 0.00 N ATOM 0 H LYS A 236 1.119 39.477 19.145 1.00 0.00 H new ATOM 0 HA LYS A 236 1.110 36.835 18.348 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -0.308 36.433 20.213 1.00 0.00 H new ATOM 0 HB3 LYS A 236 0.919 37.606 20.649 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -1.933 38.390 19.979 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -1.416 37.959 21.598 1.00 0.00 H new ATOM 0 HD2 LYS A 236 0.329 39.825 21.434 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -0.429 40.313 19.932 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -1.914 40.096 22.590 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -1.225 41.587 21.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -3.557 41.420 21.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -2.638 41.407 20.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -3.305 39.963 20.621 1.00 0.00 H new ATOM 749 N TRP A 237 -0.867 36.177 17.145 1.00 0.00 N ATOM 750 CA TRP A 237 -1.843 35.663 16.208 1.00 0.00 C ATOM 751 C TRP A 237 -2.218 34.237 16.613 1.00 0.00 C ATOM 752 O TRP A 237 -1.431 33.511 17.224 1.00 0.00 O ATOM 753 CB TRP A 237 -1.221 35.701 14.809 1.00 0.00 C ATOM 754 CG TRP A 237 -1.999 35.047 13.714 1.00 0.00 C ATOM 755 CD1 TRP A 237 -2.870 35.635 12.874 1.00 0.00 C ATOM 756 CD2 TRP A 237 -1.967 33.650 13.322 1.00 0.00 C ATOM 757 NE1 TRP A 237 -3.383 34.697 11.996 1.00 0.00 N ATOM 758 CE2 TRP A 237 -2.838 33.447 12.216 1.00 0.00 C ATOM 759 CE3 TRP A 237 -1.270 32.539 13.819 1.00 0.00 C ATOM 760 CZ2 TRP A 237 -2.981 32.187 11.611 1.00 0.00 C ATOM 761 CZ3 TRP A 237 -1.421 31.270 13.240 1.00 0.00 C ATOM 762 CH2 TRP A 237 -2.253 31.097 12.120 1.00 0.00 C ATOM 0 H TRP A 237 -0.182 35.468 17.405 1.00 0.00 H new ATOM 0 HA TRP A 237 -2.752 36.264 16.209 1.00 0.00 H new ATOM 0 HB2 TRP A 237 -1.059 36.744 14.536 1.00 0.00 H new ATOM 0 HB3 TRP A 237 -0.240 35.229 14.859 1.00 0.00 H new ATOM 0 HD1 TRP A 237 -3.130 36.683 12.884 1.00 0.00 H new ATOM 0 HE1 TRP A 237 -4.076 34.903 11.277 1.00 0.00 H new ATOM 0 HE3 TRP A 237 -0.606 32.662 14.662 1.00 0.00 H new ATOM 0 HZ2 TRP A 237 -3.641 32.057 10.766 1.00 0.00 H new ATOM 0 HZ3 TRP A 237 -0.896 30.423 13.656 1.00 0.00 H new ATOM 0 HH2 TRP A 237 -2.333 30.128 11.651 1.00 0.00 H new ATOM 773 N PHE A 238 -3.439 33.854 16.236 1.00 0.00 N ATOM 774 CA PHE A 238 -4.073 32.604 16.620 1.00 0.00 C ATOM 775 C PHE A 238 -4.594 31.879 15.381 1.00 0.00 C ATOM 776 O PHE A 238 -5.273 32.467 14.539 1.00 0.00 O ATOM 777 CB PHE A 238 -5.183 32.861 17.651 1.00 0.00 C ATOM 778 CG PHE A 238 -4.686 33.191 19.051 1.00 0.00 C ATOM 779 CD1 PHE A 238 -4.076 34.432 19.331 1.00 0.00 C ATOM 780 CD2 PHE A 238 -4.799 32.237 20.080 1.00 0.00 C ATOM 781 CE1 PHE A 238 -3.526 34.684 20.600 1.00 0.00 C ATOM 782 CE2 PHE A 238 -4.276 32.503 21.356 1.00 0.00 C ATOM 783 CZ PHE A 238 -3.617 33.716 21.614 1.00 0.00 C ATOM 0 H PHE A 238 -4.029 34.429 15.635 1.00 0.00 H new ATOM 0 HA PHE A 238 -3.337 31.955 17.095 1.00 0.00 H new ATOM 0 HB2 PHE A 238 -5.805 33.683 17.298 1.00 0.00 H new ATOM 0 HB3 PHE A 238 -5.821 31.979 17.705 1.00 0.00 H new ATOM 0 HD1 PHE A 238 -4.031 35.193 18.566 1.00 0.00 H new ATOM 0 HD2 PHE A 238 -5.291 31.295 19.887 1.00 0.00 H new ATOM 0 HE1 PHE A 238 -3.032 35.624 20.796 1.00 0.00 H new ATOM 0 HE2 PHE A 238 -4.381 31.771 22.143 1.00 0.00 H new ATOM 0 HZ PHE A 238 -3.183 33.903 22.585 1.00 0.00 H new ATOM 793 N CYS A 239 -4.248 30.586 15.296 1.00 0.00 N ATOM 794 CA CYS A 239 -4.576 29.708 14.180 1.00 0.00 C ATOM 795 C CYS A 239 -6.091 29.441 14.048 1.00 0.00 C ATOM 796 O CYS A 239 -6.856 29.789 14.952 1.00 0.00 O ATOM 797 CB CYS A 239 -3.691 28.454 14.253 1.00 0.00 C ATOM 798 SG CYS A 239 -4.486 27.030 15.049 1.00 0.00 S ATOM 0 H CYS A 239 -3.716 30.115 16.028 1.00 0.00 H new ATOM 0 HA CYS A 239 -4.343 30.208 13.240 1.00 0.00 H new ATOM 0 HB2 CYS A 239 -3.394 28.173 13.243 1.00 0.00 H new ATOM 0 HB3 CYS A 239 -2.778 28.698 14.797 1.00 0.00 H new ATOM 0 HG CYS A 239 -4.303 27.093 16.334 1.00 0.00 H new ATOM 804 N PRO A 240 -6.556 28.832 12.937 1.00 0.00 N ATOM 805 CA PRO A 240 -7.982 28.707 12.650 1.00 0.00 C ATOM 806 C PRO A 240 -8.710 27.633 13.474 1.00 0.00 C ATOM 807 O PRO A 240 -9.919 27.475 13.324 1.00 0.00 O ATOM 808 CB PRO A 240 -8.059 28.433 11.146 1.00 0.00 C ATOM 809 CG PRO A 240 -6.775 27.657 10.878 1.00 0.00 C ATOM 810 CD PRO A 240 -5.775 28.326 11.814 1.00 0.00 C ATOM 0 HA PRO A 240 -8.504 29.620 12.938 1.00 0.00 H new ATOM 0 HB2 PRO A 240 -8.944 27.853 10.885 1.00 0.00 H new ATOM 0 HB3 PRO A 240 -8.102 29.356 10.568 1.00 0.00 H new ATOM 0 HG2 PRO A 240 -6.890 26.596 11.100 1.00 0.00 H new ATOM 0 HG3 PRO A 240 -6.467 27.733 9.835 1.00 0.00 H new ATOM 0 HD2 PRO A 240 -5.020 27.616 12.152 1.00 0.00 H new ATOM 0 HD3 PRO A 240 -5.248 29.135 11.309 1.00 0.00 H new ATOM 818 N ARG A 241 -8.001 26.934 14.369 1.00 0.00 N ATOM 819 CA ARG A 241 -8.573 26.057 15.382 1.00 0.00 C ATOM 820 C ARG A 241 -8.013 26.400 16.770 1.00 0.00 C ATOM 821 O ARG A 241 -8.027 25.568 17.676 1.00 0.00 O ATOM 822 CB ARG A 241 -8.433 24.577 14.989 1.00 0.00 C ATOM 823 CG ARG A 241 -9.158 24.285 13.663 1.00 0.00 C ATOM 824 CD ARG A 241 -9.376 22.787 13.421 1.00 0.00 C ATOM 825 NE ARG A 241 -10.055 22.546 12.135 1.00 0.00 N ATOM 826 CZ ARG A 241 -11.353 22.768 11.869 1.00 0.00 C ATOM 827 NH1 ARG A 241 -12.213 23.184 12.799 1.00 0.00 N ATOM 828 NH2 ARG A 241 -11.817 22.578 10.635 1.00 0.00 N ATOM 0 H ARG A 241 -6.982 26.969 14.404 1.00 0.00 H new ATOM 0 HA ARG A 241 -9.647 26.231 15.441 1.00 0.00 H new ATOM 0 HB2 ARG A 241 -7.378 24.321 14.894 1.00 0.00 H new ATOM 0 HB3 ARG A 241 -8.844 23.947 15.778 1.00 0.00 H new ATOM 0 HG2 ARG A 241 -10.123 24.792 13.663 1.00 0.00 H new ATOM 0 HG3 ARG A 241 -8.579 24.701 12.839 1.00 0.00 H new ATOM 0 HD2 ARG A 241 -8.416 22.271 13.430 1.00 0.00 H new ATOM 0 HD3 ARG A 241 -9.970 22.368 14.233 1.00 0.00 H new ATOM 0 HE ARG A 241 -9.485 22.175 11.375 1.00 0.00 H new ATOM 0 HH11 ARG A 241 -11.893 23.345 13.754 1.00 0.00 H new ATOM 0 HH12 ARG A 241 -13.191 23.341 12.556 1.00 0.00 H new ATOM 0 HH21 ARG A 241 -11.187 22.265 9.896 1.00 0.00 H new ATOM 0 HH22 ARG A 241 -12.802 22.745 10.429 1.00 0.00 H new ATOM 842 N CYS A 242 -7.558 27.652 16.929 1.00 0.00 N ATOM 843 CA CYS A 242 -7.139 28.261 18.166 1.00 0.00 C ATOM 844 C CYS A 242 -7.914 29.556 18.464 1.00 0.00 C ATOM 845 O CYS A 242 -7.907 29.982 19.618 1.00 0.00 O ATOM 846 CB CYS A 242 -5.644 28.571 18.066 1.00 0.00 C ATOM 847 SG CYS A 242 -4.621 27.122 18.457 1.00 0.00 S ATOM 0 H CYS A 242 -7.474 28.292 16.139 1.00 0.00 H new ATOM 0 HA CYS A 242 -7.343 27.567 18.981 1.00 0.00 H new ATOM 0 HB2 CYS A 242 -5.412 28.917 17.059 1.00 0.00 H new ATOM 0 HB3 CYS A 242 -5.396 29.384 18.748 1.00 0.00 H new ATOM 0 HG CYS A 242 -3.701 27.458 19.312 1.00 0.00 H new ATOM 853 N SER A 243 -8.590 30.168 17.471 1.00 0.00 N ATOM 854 CA SER A 243 -9.463 31.323 17.711 1.00 0.00 C ATOM 855 C SER A 243 -10.619 31.427 16.712 1.00 0.00 C ATOM 856 O SER A 243 -11.696 31.878 17.098 1.00 0.00 O ATOM 857 CB SER A 243 -8.622 32.606 17.698 1.00 0.00 C ATOM 858 OG SER A 243 -9.409 33.745 17.976 1.00 0.00 O ATOM 0 H SER A 243 -8.544 29.877 16.495 1.00 0.00 H new ATOM 0 HA SER A 243 -9.924 31.184 18.689 1.00 0.00 H new ATOM 0 HB2 SER A 243 -7.823 32.526 18.435 1.00 0.00 H new ATOM 0 HB3 SER A 243 -8.146 32.720 16.724 1.00 0.00 H new ATOM 0 HG SER A 243 -8.843 34.545 17.962 1.00 0.00 H new ATOM 864 N GLN A 244 -10.433 30.994 15.455 1.00 0.00 N ATOM 865 CA GLN A 244 -11.493 31.062 14.441 1.00 0.00 C ATOM 866 C GLN A 244 -12.633 30.059 14.712 1.00 0.00 C ATOM 867 O GLN A 244 -13.746 30.258 14.221 1.00 0.00 O ATOM 868 CB GLN A 244 -10.880 30.888 13.042 1.00 0.00 C ATOM 869 CG GLN A 244 -11.793 31.359 11.902 1.00 0.00 C ATOM 870 CD GLN A 244 -11.051 31.369 10.563 1.00 0.00 C ATOM 871 OE1 GLN A 244 -10.584 30.337 10.091 1.00 0.00 O ATOM 872 NE2 GLN A 244 -10.922 32.540 9.940 1.00 0.00 N ATOM 0 H GLN A 244 -9.558 30.593 15.118 1.00 0.00 H new ATOM 0 HA GLN A 244 -11.957 32.047 14.494 1.00 0.00 H new ATOM 0 HB2 GLN A 244 -9.942 31.441 12.995 1.00 0.00 H new ATOM 0 HB3 GLN A 244 -10.638 29.836 12.890 1.00 0.00 H new ATOM 0 HG2 GLN A 244 -12.661 30.704 11.834 1.00 0.00 H new ATOM 0 HG3 GLN A 244 -12.165 32.360 12.121 1.00 0.00 H new ATOM 0 HE21 GLN A 244 -11.319 33.384 10.353 1.00 0.00 H new ATOM 0 HE22 GLN A 244 -10.426 32.592 9.050 1.00 0.00 H new ATOM 881 N GLU A 245 -12.388 29.029 15.542 1.00 0.00 N ATOM 882 CA GLU A 245 -13.411 28.097 16.023 1.00 0.00 C ATOM 883 C GLU A 245 -14.401 28.725 17.024 1.00 0.00 C ATOM 884 O GLU A 245 -15.386 28.073 17.370 1.00 0.00 O ATOM 885 CB GLU A 245 -12.728 26.854 16.623 1.00 0.00 C ATOM 886 CG GLU A 245 -12.350 25.822 15.550 1.00 0.00 C ATOM 887 CD GLU A 245 -13.542 24.963 15.116 1.00 0.00 C ATOM 888 OE1 GLU A 245 -14.420 25.494 14.402 1.00 0.00 O ATOM 889 OE2 GLU A 245 -13.538 23.769 15.486 1.00 0.00 O ATOM 0 H GLU A 245 -11.456 28.822 15.901 1.00 0.00 H new ATOM 0 HA GLU A 245 -14.016 27.811 15.163 1.00 0.00 H new ATOM 0 HB2 GLU A 245 -11.831 27.160 17.162 1.00 0.00 H new ATOM 0 HB3 GLU A 245 -13.395 26.391 17.350 1.00 0.00 H new ATOM 0 HG2 GLU A 245 -11.943 26.339 14.681 1.00 0.00 H new ATOM 0 HG3 GLU A 245 -11.561 25.175 15.934 1.00 0.00 H new ATOM 896 N ARG A 246 -14.192 29.983 17.453 1.00 0.00 N ATOM 897 CA ARG A 246 -15.171 30.759 18.224 1.00 0.00 C ATOM 898 C ARG A 246 -16.491 30.959 17.456 1.00 0.00 C ATOM 899 O ARG A 246 -17.525 31.174 18.088 1.00 0.00 O ATOM 900 CB ARG A 246 -14.537 32.104 18.629 1.00 0.00 C ATOM 901 CG ARG A 246 -15.511 33.053 19.348 1.00 0.00 C ATOM 902 CD ARG A 246 -14.804 34.253 19.989 1.00 0.00 C ATOM 903 NE ARG A 246 -14.153 33.898 21.261 1.00 0.00 N ATOM 904 CZ ARG A 246 -14.766 33.804 22.453 1.00 0.00 C ATOM 905 NH1 ARG A 246 -16.076 34.024 22.595 1.00 0.00 N ATOM 906 NH2 ARG A 246 -14.052 33.481 23.531 1.00 0.00 N ATOM 0 H ARG A 246 -13.327 30.492 17.270 1.00 0.00 H new ATOM 0 HA ARG A 246 -15.432 30.200 19.122 1.00 0.00 H new ATOM 0 HB2 ARG A 246 -13.683 31.912 19.279 1.00 0.00 H new ATOM 0 HB3 ARG A 246 -14.153 32.599 17.737 1.00 0.00 H new ATOM 0 HG2 ARG A 246 -16.254 33.412 18.636 1.00 0.00 H new ATOM 0 HG3 ARG A 246 -16.049 32.500 20.118 1.00 0.00 H new ATOM 0 HD2 ARG A 246 -14.058 34.645 19.298 1.00 0.00 H new ATOM 0 HD3 ARG A 246 -15.528 35.049 20.163 1.00 0.00 H new ATOM 0 HE ARG A 246 -13.151 33.707 21.235 1.00 0.00 H new ATOM 0 HH11 ARG A 246 -16.642 34.272 21.784 1.00 0.00 H new ATOM 0 HH12 ARG A 246 -16.510 33.944 23.515 1.00 0.00 H new ATOM 0 HH21 ARG A 246 -13.050 33.308 23.446 1.00 0.00 H new ATOM 0 HH22 ARG A 246 -14.507 33.407 24.441 1.00 0.00 H new ATOM 920 N LYS A 247 -16.466 30.852 16.118 1.00 0.00 N ATOM 921 CA LYS A 247 -17.631 31.019 15.257 1.00 0.00 C ATOM 922 C LYS A 247 -17.959 29.662 14.628 1.00 0.00 C ATOM 923 O LYS A 247 -18.821 28.955 15.147 1.00 0.00 O ATOM 924 CB LYS A 247 -17.372 32.136 14.226 1.00 0.00 C ATOM 925 CG LYS A 247 -17.143 33.505 14.894 1.00 0.00 C ATOM 926 CD LYS A 247 -16.912 34.635 13.880 1.00 0.00 C ATOM 927 CE LYS A 247 -18.176 34.948 13.074 1.00 0.00 C ATOM 928 NZ LYS A 247 -17.960 36.079 12.153 1.00 0.00 N ATOM 0 H LYS A 247 -15.613 30.642 15.600 1.00 0.00 H new ATOM 0 HA LYS A 247 -18.505 31.340 15.825 1.00 0.00 H new ATOM 0 HB2 LYS A 247 -16.501 31.877 13.624 1.00 0.00 H new ATOM 0 HB3 LYS A 247 -18.221 32.203 13.545 1.00 0.00 H new ATOM 0 HG2 LYS A 247 -18.006 33.750 15.513 1.00 0.00 H new ATOM 0 HG3 LYS A 247 -16.282 33.439 15.559 1.00 0.00 H new ATOM 0 HD2 LYS A 247 -16.585 35.532 14.405 1.00 0.00 H new ATOM 0 HD3 LYS A 247 -16.108 34.353 13.200 1.00 0.00 H new ATOM 0 HE2 LYS A 247 -18.475 34.067 12.507 1.00 0.00 H new ATOM 0 HE3 LYS A 247 -18.995 35.182 13.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 247 -18.834 36.266 11.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 247 -17.698 36.925 12.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 247 -17.195 35.845 11.489 1.00 0.00 H new ATOM 942 N LYS A 248 -17.245 29.289 13.556 1.00 0.00 N ATOM 943 CA LYS A 248 -17.301 27.984 12.897 1.00 0.00 C ATOM 944 C LYS A 248 -16.132 27.902 11.908 1.00 0.00 C ATOM 945 O LYS A 248 -15.812 28.900 11.256 1.00 0.00 O ATOM 946 CB LYS A 248 -18.648 27.823 12.161 1.00 0.00 C ATOM 947 CG LYS A 248 -18.897 26.381 11.695 1.00 0.00 C ATOM 948 CD LYS A 248 -20.328 26.226 11.155 1.00 0.00 C ATOM 949 CE LYS A 248 -20.654 24.775 10.784 1.00 0.00 C ATOM 950 NZ LYS A 248 -19.878 24.309 9.619 1.00 0.00 N ATOM 0 H LYS A 248 -16.583 29.922 13.107 1.00 0.00 H new ATOM 0 HA LYS A 248 -17.222 27.182 13.631 1.00 0.00 H new ATOM 0 HB2 LYS A 248 -19.458 28.133 12.821 1.00 0.00 H new ATOM 0 HB3 LYS A 248 -18.668 28.489 11.298 1.00 0.00 H new ATOM 0 HG2 LYS A 248 -18.179 26.115 10.919 1.00 0.00 H new ATOM 0 HG3 LYS A 248 -18.739 25.692 12.525 1.00 0.00 H new ATOM 0 HD2 LYS A 248 -21.037 26.575 11.905 1.00 0.00 H new ATOM 0 HD3 LYS A 248 -20.454 26.860 10.278 1.00 0.00 H new ATOM 0 HE2 LYS A 248 -20.448 24.129 11.637 1.00 0.00 H new ATOM 0 HE3 LYS A 248 -21.719 24.688 10.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 248 -20.144 23.329 9.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 248 -20.080 24.919 8.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 248 -18.862 24.350 9.839 1.00 0.00 H new ATOM 964 N LYS A 249 -15.516 26.718 11.775 1.00 0.00 N ATOM 965 CA LYS A 249 -14.389 26.500 10.872 1.00 0.00 C ATOM 966 C LYS A 249 -14.382 25.057 10.356 1.00 0.00 C ATOM 967 O LYS A 249 -14.260 24.905 9.120 1.00 0.00 O ATOM 968 CB LYS A 249 -13.077 26.894 11.587 1.00 0.00 C ATOM 969 CG LYS A 249 -11.991 27.362 10.608 1.00 0.00 C ATOM 970 CD LYS A 249 -11.247 26.219 9.892 1.00 0.00 C ATOM 971 CE LYS A 249 -10.992 26.529 8.413 1.00 0.00 C ATOM 972 NZ LYS A 249 -12.255 26.583 7.649 1.00 0.00 N ATOM 973 OXT LYS A 249 -14.480 24.128 11.188 1.00 0.00 O ATOM 0 H LYS A 249 -15.791 25.885 12.295 1.00 0.00 H new ATOM 0 HA LYS A 249 -14.486 27.136 9.992 1.00 0.00 H new ATOM 0 HB2 LYS A 249 -13.282 27.689 12.304 1.00 0.00 H new ATOM 0 HB3 LYS A 249 -12.706 26.041 12.155 1.00 0.00 H new ATOM 0 HG2 LYS A 249 -12.448 28.008 9.858 1.00 0.00 H new ATOM 0 HG3 LYS A 249 -11.266 27.968 11.151 1.00 0.00 H new ATOM 0 HD2 LYS A 249 -10.296 26.038 10.392 1.00 0.00 H new ATOM 0 HD3 LYS A 249 -11.830 25.302 9.974 1.00 0.00 H new ATOM 0 HE2 LYS A 249 -10.470 27.482 8.324 1.00 0.00 H new ATOM 0 HE3 LYS A 249 -10.339 25.767 7.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 249 -12.098 26.208 6.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 249 -12.977 26.010 8.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 249 -12.581 27.569 7.586 1.00 0.00 H new TER 987 LYS A 249 HETATM 988 ZN ZN A 250 -2.148 24.430 5.814 1.00 0.00 ZN HETATM 989 ZN ZN A 251 -1.635 26.734 16.772 1.00 0.00 ZN