USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 506 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 446 CYS SG : rot -172:sc= -1.08 USER MOD Set 1.2: A 448 HIS : no HD1:sc= -0.649 K(o=-8.6,f=-9.4) USER MOD Set 1.3: A 452 HIS :FLIP no HD1:sc= -1.34 F(o=-11!,f=-8.6) USER MOD Set 1.4: A 478 CYS SG : rot -125:sc= -2.71 USER MOD Set 1.5: A 481 HIS : no HD1:sc= -2.77! C(o=-8.6!,f=-21!) USER MOD Set 2.1: A 419 CYS SG : rot 44:sc= -0.189 USER MOD Set 2.2: A 420 CYS SG : rot 180:sc= -1.73 USER MOD Set 2.3: A 423 CYS SG : rot 139:sc= -0.537 USER MOD Set 2.4: A 455 HIS : no HD1:sc= -13! C(o=-18!,f=-24!) USER MOD Set 2.5: A 458 CYS SG : rot -137:sc= -2.3 USER MOD Set 2.6: A 459 MET CE :methyl 158:sc= -0.691 (180deg=-1.32) USER MOD Single : A 415 TYR OH : rot 180:sc= 0 USER MOD Single : A 418 THR OG1 : rot 180:sc= 0.074 USER MOD Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD Single : A 428 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 429 THR OG1 : rot 180:sc= 0.00486 USER MOD Single : A 434 TYR OH : rot 180:sc= -1.25 USER MOD Single : A 435 SER OG : rot 180:sc= 0 USER MOD Single : A 436 THR OG1 : rot 180:sc= 0.0251 USER MOD Single : A 439 ASN : amide:sc= -0.287 K(o=-0.29,f=-1.1) USER MOD Single : A 440 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 MET CE :methyl -159:sc= -7.25! (180deg=-9.04!) USER MOD Single : A 445 TYR OH : rot 180:sc= 0 USER MOD Single : A 447 SER OG : rot 180:sc= -0.0863 USER MOD Single : A 457 GLN : amide:sc= -0.0907 X(o=-0.091,f=-0.53) USER MOD Single : A 465 THR OG1 : rot 180:sc= 0.118 USER MOD Single : A 468 HIS :FLIP no HD1:sc= -0.946 F(o=-2.5!,f=-0.95) USER MOD Single : A 470 SER OG : rot 180:sc= 0 USER MOD Single : A 473 SER OG : rot 180:sc= 0 USER MOD Single : A 474 ASN :FLIP amide:sc= -3.4! F(o=-4.7,f=-3.4!) USER MOD Single : A 475 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 476 TYR OH : rot 30:sc= -0.572 USER MOD Single : A 477 TYR OH : rot 180:sc= 0 USER MOD Single : A 479 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 483 GLN : amide:sc= -1.64! C(o=-1.6!,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 117 N TYR A 415 61.283 -9.031 -3.666 1.00 0.00 N ATOM 118 CA TYR A 415 62.037 -7.826 -3.217 1.00 0.00 C ATOM 119 C TYR A 415 62.904 -7.287 -4.359 1.00 0.00 C ATOM 120 O TYR A 415 63.243 -6.121 -4.398 1.00 0.00 O ATOM 121 CB TYR A 415 62.915 -8.318 -2.064 1.00 0.00 C ATOM 122 CG TYR A 415 62.370 -7.797 -0.755 1.00 0.00 C ATOM 123 CD1 TYR A 415 62.114 -6.432 -0.603 1.00 0.00 C ATOM 124 CD2 TYR A 415 62.120 -8.679 0.302 1.00 0.00 C ATOM 125 CE1 TYR A 415 61.609 -5.944 0.607 1.00 0.00 C ATOM 126 CE2 TYR A 415 61.614 -8.194 1.513 1.00 0.00 C ATOM 127 CZ TYR A 415 61.358 -6.825 1.666 1.00 0.00 C ATOM 128 OH TYR A 415 60.861 -6.345 2.861 1.00 0.00 O ATOM 0 HA TYR A 415 61.376 -7.015 -2.911 1.00 0.00 H new ATOM 0 HB2 TYR A 415 62.940 -9.408 -2.051 1.00 0.00 H new ATOM 0 HB3 TYR A 415 63.941 -7.978 -2.204 1.00 0.00 H new ATOM 0 HD1 TYR A 415 62.306 -5.753 -1.420 1.00 0.00 H new ATOM 0 HD2 TYR A 415 62.318 -9.734 0.183 1.00 0.00 H new ATOM 0 HE1 TYR A 415 61.413 -4.888 0.724 1.00 0.00 H new ATOM 0 HE2 TYR A 415 61.421 -8.874 2.329 1.00 0.00 H new ATOM 0 HH TYR A 415 60.743 -7.088 3.489 1.00 0.00 H new ATOM 138 N TRP A 416 63.263 -8.132 -5.287 1.00 0.00 N ATOM 139 CA TRP A 416 64.108 -7.680 -6.432 1.00 0.00 C ATOM 140 C TRP A 416 63.226 -7.001 -7.486 1.00 0.00 C ATOM 141 O TRP A 416 63.166 -7.423 -8.624 1.00 0.00 O ATOM 142 CB TRP A 416 64.727 -8.966 -6.990 1.00 0.00 C ATOM 143 CG TRP A 416 65.391 -9.707 -5.875 1.00 0.00 C ATOM 144 CD1 TRP A 416 65.080 -10.960 -5.474 1.00 0.00 C ATOM 145 CD2 TRP A 416 66.461 -9.250 -5.007 1.00 0.00 C ATOM 146 NE1 TRP A 416 65.897 -11.301 -4.409 1.00 0.00 N ATOM 147 CE2 TRP A 416 66.767 -10.278 -4.085 1.00 0.00 C ATOM 148 CE3 TRP A 416 67.189 -8.053 -4.933 1.00 0.00 C ATOM 149 CZ2 TRP A 416 67.763 -10.120 -3.121 1.00 0.00 C ATOM 150 CZ3 TRP A 416 68.192 -7.891 -3.969 1.00 0.00 C ATOM 151 CH2 TRP A 416 68.480 -8.921 -3.063 1.00 0.00 C ATOM 0 H TRP A 416 63.007 -9.119 -5.302 1.00 0.00 H new ATOM 0 HA TRP A 416 64.870 -6.958 -6.138 1.00 0.00 H new ATOM 0 HB2 TRP A 416 63.957 -9.586 -7.449 1.00 0.00 H new ATOM 0 HB3 TRP A 416 65.452 -8.728 -7.769 1.00 0.00 H new ATOM 0 HD1 TRP A 416 64.320 -11.591 -5.912 1.00 0.00 H new ATOM 0 HE1 TRP A 416 65.861 -12.197 -3.924 1.00 0.00 H new ATOM 0 HE3 TRP A 416 66.975 -7.251 -5.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 416 67.978 -10.917 -2.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 416 68.747 -6.966 -3.923 1.00 0.00 H new ATOM 0 HH2 TRP A 416 69.254 -8.789 -2.322 1.00 0.00 H new ATOM 162 N ILE A 417 62.528 -5.963 -7.107 1.00 0.00 N ATOM 163 CA ILE A 417 61.631 -5.265 -8.078 1.00 0.00 C ATOM 164 C ILE A 417 62.123 -3.841 -8.351 1.00 0.00 C ATOM 165 O ILE A 417 63.263 -3.504 -8.094 1.00 0.00 O ATOM 166 CB ILE A 417 60.261 -5.235 -7.393 1.00 0.00 C ATOM 167 CG1 ILE A 417 60.342 -4.394 -6.110 1.00 0.00 C ATOM 168 CG2 ILE A 417 59.837 -6.660 -7.039 1.00 0.00 C ATOM 169 CD1 ILE A 417 59.514 -3.117 -6.279 1.00 0.00 C ATOM 0 H ILE A 417 62.539 -5.567 -6.167 1.00 0.00 H new ATOM 0 HA ILE A 417 61.603 -5.772 -9.043 1.00 0.00 H new ATOM 0 HB ILE A 417 59.530 -4.793 -8.070 1.00 0.00 H new ATOM 0 HG12 ILE A 417 59.972 -4.970 -5.262 1.00 0.00 H new ATOM 0 HG13 ILE A 417 61.380 -4.140 -5.894 1.00 0.00 H new ATOM 0 HG21 ILE A 417 58.862 -6.639 -6.552 1.00 0.00 H new ATOM 0 HG22 ILE A 417 59.775 -7.258 -7.948 1.00 0.00 H new ATOM 0 HG23 ILE A 417 60.571 -7.101 -6.364 1.00 0.00 H new ATOM 0 HD11 ILE A 417 59.573 -2.522 -5.368 1.00 0.00 H new ATOM 0 HD12 ILE A 417 59.904 -2.538 -7.116 1.00 0.00 H new ATOM 0 HD13 ILE A 417 58.474 -3.381 -6.474 1.00 0.00 H new ATOM 181 N THR A 418 61.264 -3.005 -8.872 1.00 0.00 N ATOM 182 CA THR A 418 61.661 -1.600 -9.168 1.00 0.00 C ATOM 183 C THR A 418 60.949 -0.639 -8.211 1.00 0.00 C ATOM 184 O THR A 418 59.749 -0.457 -8.275 1.00 0.00 O ATOM 185 CB THR A 418 61.213 -1.351 -10.611 1.00 0.00 C ATOM 186 OG1 THR A 418 60.093 -2.175 -10.914 1.00 0.00 O ATOM 187 CG2 THR A 418 62.363 -1.674 -11.567 1.00 0.00 C ATOM 0 H THR A 418 60.299 -3.238 -9.106 1.00 0.00 H new ATOM 0 HA THR A 418 62.732 -1.440 -9.044 1.00 0.00 H new ATOM 0 HB THR A 418 60.931 -0.305 -10.726 1.00 0.00 H new ATOM 0 HG1 THR A 418 59.807 -2.012 -11.837 1.00 0.00 H new ATOM 0 HG21 THR A 418 62.043 -1.497 -12.594 1.00 0.00 H new ATOM 0 HG22 THR A 418 63.217 -1.037 -11.337 1.00 0.00 H new ATOM 0 HG23 THR A 418 62.649 -2.719 -11.452 1.00 0.00 H new ATOM 195 N CYS A 419 61.685 -0.023 -7.326 1.00 0.00 N ATOM 196 CA CYS A 419 61.068 0.930 -6.357 1.00 0.00 C ATOM 197 C CYS A 419 61.066 2.354 -6.938 1.00 0.00 C ATOM 198 O CYS A 419 60.827 3.320 -6.237 1.00 0.00 O ATOM 199 CB CYS A 419 61.954 0.814 -5.107 1.00 0.00 C ATOM 200 SG CYS A 419 63.208 2.123 -5.065 1.00 0.00 S ATOM 0 H CYS A 419 62.694 -0.139 -7.232 1.00 0.00 H new ATOM 0 HA CYS A 419 60.025 0.706 -6.132 1.00 0.00 H new ATOM 0 HB2 CYS A 419 61.334 0.872 -4.212 1.00 0.00 H new ATOM 0 HB3 CYS A 419 62.442 -0.161 -5.094 1.00 0.00 H new ATOM 0 HG CYS A 419 62.660 3.259 -5.381 1.00 0.00 H new ATOM 205 N CYS A 420 61.332 2.489 -8.212 1.00 0.00 N ATOM 206 CA CYS A 420 61.352 3.844 -8.839 1.00 0.00 C ATOM 207 C CYS A 420 61.340 3.702 -10.369 1.00 0.00 C ATOM 208 O CYS A 420 61.201 2.609 -10.880 1.00 0.00 O ATOM 209 CB CYS A 420 62.661 4.474 -8.356 1.00 0.00 C ATOM 210 SG CYS A 420 62.305 5.977 -7.409 1.00 0.00 S ATOM 0 H CYS A 420 61.537 1.717 -8.846 1.00 0.00 H new ATOM 0 HA CYS A 420 60.489 4.453 -8.570 1.00 0.00 H new ATOM 0 HB2 CYS A 420 63.210 3.765 -7.737 1.00 0.00 H new ATOM 0 HB3 CYS A 420 63.297 4.712 -9.209 1.00 0.00 H new ATOM 0 HG CYS A 420 63.420 6.506 -7.000 1.00 0.00 H new ATOM 216 N PRO A 421 61.481 4.809 -11.059 1.00 0.00 N ATOM 217 CA PRO A 421 61.480 4.774 -12.539 1.00 0.00 C ATOM 218 C PRO A 421 62.842 4.305 -13.064 1.00 0.00 C ATOM 219 O PRO A 421 62.971 3.895 -14.201 1.00 0.00 O ATOM 220 CB PRO A 421 61.204 6.220 -12.934 1.00 0.00 C ATOM 221 CG PRO A 421 61.663 7.049 -11.774 1.00 0.00 C ATOM 222 CD PRO A 421 61.657 6.174 -10.542 1.00 0.00 C ATOM 0 HA PRO A 421 60.746 4.083 -12.952 1.00 0.00 H new ATOM 0 HB2 PRO A 421 61.742 6.487 -13.844 1.00 0.00 H new ATOM 0 HB3 PRO A 421 60.144 6.377 -13.133 1.00 0.00 H new ATOM 0 HG2 PRO A 421 62.663 7.441 -11.958 1.00 0.00 H new ATOM 0 HG3 PRO A 421 61.005 7.907 -11.635 1.00 0.00 H new ATOM 0 HD2 PRO A 421 62.588 6.270 -9.983 1.00 0.00 H new ATOM 0 HD3 PRO A 421 60.849 6.449 -9.864 1.00 0.00 H new ATOM 230 N THR A 422 63.857 4.357 -12.241 1.00 0.00 N ATOM 231 CA THR A 422 65.207 3.908 -12.688 1.00 0.00 C ATOM 232 C THR A 422 65.891 3.122 -11.566 1.00 0.00 C ATOM 233 O THR A 422 67.013 3.404 -11.191 1.00 0.00 O ATOM 234 CB THR A 422 65.974 5.196 -12.991 1.00 0.00 C ATOM 235 OG1 THR A 422 65.967 6.031 -11.841 1.00 0.00 O ATOM 236 CG2 THR A 422 65.309 5.925 -14.158 1.00 0.00 C ATOM 0 H THR A 422 63.808 4.691 -11.279 1.00 0.00 H new ATOM 0 HA THR A 422 65.162 3.252 -13.557 1.00 0.00 H new ATOM 0 HB THR A 422 67.003 4.953 -13.257 1.00 0.00 H new ATOM 0 HG1 THR A 422 66.460 6.856 -12.033 1.00 0.00 H new ATOM 0 HG21 THR A 422 65.856 6.843 -14.373 1.00 0.00 H new ATOM 0 HG22 THR A 422 65.316 5.283 -15.039 1.00 0.00 H new ATOM 0 HG23 THR A 422 64.280 6.170 -13.895 1.00 0.00 H new ATOM 244 N CYS A 423 65.220 2.140 -11.026 1.00 0.00 N ATOM 245 CA CYS A 423 65.823 1.335 -9.923 1.00 0.00 C ATOM 246 C CYS A 423 66.429 0.040 -10.476 1.00 0.00 C ATOM 247 O CYS A 423 66.088 -0.407 -11.554 1.00 0.00 O ATOM 248 CB CYS A 423 64.658 1.022 -8.982 1.00 0.00 C ATOM 249 SG CYS A 423 65.266 0.095 -7.550 1.00 0.00 S ATOM 0 H CYS A 423 64.279 1.860 -11.301 1.00 0.00 H new ATOM 0 HA CYS A 423 66.628 1.868 -9.417 1.00 0.00 H new ATOM 0 HB2 CYS A 423 64.183 1.947 -8.654 1.00 0.00 H new ATOM 0 HB3 CYS A 423 63.899 0.443 -9.507 1.00 0.00 H new ATOM 0 HG CYS A 423 64.693 0.539 -6.471 1.00 0.00 H new ATOM 254 N ASP A 424 67.322 -0.564 -9.738 1.00 0.00 N ATOM 255 CA ASP A 424 67.952 -1.832 -10.206 1.00 0.00 C ATOM 256 C ASP A 424 68.323 -2.706 -9.004 1.00 0.00 C ATOM 257 O ASP A 424 69.313 -3.412 -9.019 1.00 0.00 O ATOM 258 CB ASP A 424 69.210 -1.396 -10.962 1.00 0.00 C ATOM 259 CG ASP A 424 69.650 -2.512 -11.909 1.00 0.00 C ATOM 260 OD1 ASP A 424 68.929 -2.777 -12.857 1.00 0.00 O ATOM 261 OD2 ASP A 424 70.701 -3.084 -11.671 1.00 0.00 O ATOM 0 H ASP A 424 67.643 -0.232 -8.828 1.00 0.00 H new ATOM 0 HA ASP A 424 67.284 -2.420 -10.836 1.00 0.00 H new ATOM 0 HB2 ASP A 424 69.011 -0.484 -11.525 1.00 0.00 H new ATOM 0 HB3 ASP A 424 70.009 -1.167 -10.257 1.00 0.00 H new ATOM 266 N VAL A 425 67.533 -2.662 -7.964 1.00 0.00 N ATOM 267 CA VAL A 425 67.834 -3.486 -6.756 1.00 0.00 C ATOM 268 C VAL A 425 67.846 -4.974 -7.123 1.00 0.00 C ATOM 269 O VAL A 425 66.832 -5.550 -7.465 1.00 0.00 O ATOM 270 CB VAL A 425 66.708 -3.161 -5.766 1.00 0.00 C ATOM 271 CG1 VAL A 425 66.611 -4.246 -4.687 1.00 0.00 C ATOM 272 CG2 VAL A 425 67.003 -1.815 -5.099 1.00 0.00 C ATOM 0 H VAL A 425 66.691 -2.090 -7.899 1.00 0.00 H new ATOM 0 HA VAL A 425 68.813 -3.267 -6.330 1.00 0.00 H new ATOM 0 HB VAL A 425 65.763 -3.117 -6.307 1.00 0.00 H new ATOM 0 HG11 VAL A 425 65.807 -3.999 -3.994 1.00 0.00 H new ATOM 0 HG12 VAL A 425 66.403 -5.208 -5.156 1.00 0.00 H new ATOM 0 HG13 VAL A 425 67.554 -4.304 -4.143 1.00 0.00 H new ATOM 0 HG21 VAL A 425 66.207 -1.576 -4.394 1.00 0.00 H new ATOM 0 HG22 VAL A 425 67.953 -1.872 -4.568 1.00 0.00 H new ATOM 0 HG23 VAL A 425 67.059 -1.036 -5.860 1.00 0.00 H new ATOM 282 N ASP A 426 68.992 -5.590 -7.047 1.00 0.00 N ATOM 283 CA ASP A 426 69.096 -7.039 -7.381 1.00 0.00 C ATOM 284 C ASP A 426 70.210 -7.677 -6.550 1.00 0.00 C ATOM 285 O ASP A 426 71.269 -7.108 -6.383 1.00 0.00 O ATOM 286 CB ASP A 426 69.442 -7.081 -8.870 1.00 0.00 C ATOM 287 CG ASP A 426 68.156 -7.177 -9.691 1.00 0.00 C ATOM 288 OD1 ASP A 426 67.254 -7.877 -9.261 1.00 0.00 O ATOM 289 OD2 ASP A 426 68.094 -6.549 -10.735 1.00 0.00 O ATOM 0 H ASP A 426 69.868 -5.149 -6.766 1.00 0.00 H new ATOM 0 HA ASP A 426 68.178 -7.586 -7.167 1.00 0.00 H new ATOM 0 HB2 ASP A 426 69.999 -6.187 -9.150 1.00 0.00 H new ATOM 0 HB3 ASP A 426 70.085 -7.936 -9.081 1.00 0.00 H new ATOM 294 N ILE A 427 69.978 -8.848 -6.019 1.00 0.00 N ATOM 295 CA ILE A 427 71.025 -9.516 -5.186 1.00 0.00 C ATOM 296 C ILE A 427 72.369 -9.554 -5.923 1.00 0.00 C ATOM 297 O ILE A 427 73.419 -9.536 -5.311 1.00 0.00 O ATOM 298 CB ILE A 427 70.501 -10.931 -4.941 1.00 0.00 C ATOM 299 CG1 ILE A 427 71.463 -11.671 -4.007 1.00 0.00 C ATOM 300 CG2 ILE A 427 70.390 -11.682 -6.270 1.00 0.00 C ATOM 301 CD1 ILE A 427 70.826 -11.811 -2.622 1.00 0.00 C ATOM 0 H ILE A 427 69.109 -9.372 -6.125 1.00 0.00 H new ATOM 0 HA ILE A 427 71.202 -8.980 -4.253 1.00 0.00 H new ATOM 0 HB ILE A 427 69.514 -10.878 -4.481 1.00 0.00 H new ATOM 0 HG12 ILE A 427 71.695 -12.656 -4.413 1.00 0.00 H new ATOM 0 HG13 ILE A 427 72.404 -11.127 -3.932 1.00 0.00 H new ATOM 0 HG21 ILE A 427 70.016 -12.690 -6.088 1.00 0.00 H new ATOM 0 HG22 ILE A 427 69.703 -11.153 -6.930 1.00 0.00 H new ATOM 0 HG23 ILE A 427 71.372 -11.739 -6.739 1.00 0.00 H new ATOM 0 HD11 ILE A 427 71.511 -12.338 -1.958 1.00 0.00 H new ATOM 0 HD12 ILE A 427 70.616 -10.821 -2.216 1.00 0.00 H new ATOM 0 HD13 ILE A 427 69.896 -12.374 -2.704 1.00 0.00 H new ATOM 313 N ASN A 428 72.346 -9.601 -7.230 1.00 0.00 N ATOM 314 CA ASN A 428 73.627 -9.633 -7.998 1.00 0.00 C ATOM 315 C ASN A 428 74.513 -8.458 -7.573 1.00 0.00 C ATOM 316 O ASN A 428 75.724 -8.560 -7.526 1.00 0.00 O ATOM 317 CB ASN A 428 73.220 -9.498 -9.466 1.00 0.00 C ATOM 318 CG ASN A 428 74.356 -9.996 -10.360 1.00 0.00 C ATOM 319 OD1 ASN A 428 74.637 -11.178 -10.403 1.00 0.00 O ATOM 320 ND2 ASN A 428 75.026 -9.140 -11.081 1.00 0.00 N ATOM 0 H ASN A 428 71.499 -9.619 -7.797 1.00 0.00 H new ATOM 0 HA ASN A 428 74.195 -10.547 -7.823 1.00 0.00 H new ATOM 0 HB2 ASN A 428 72.314 -10.073 -9.657 1.00 0.00 H new ATOM 0 HB3 ASN A 428 72.991 -8.457 -9.697 1.00 0.00 H new ATOM 0 HD21 ASN A 428 75.785 -9.462 -11.681 1.00 0.00 H new ATOM 0 HD22 ASN A 428 74.790 -8.148 -11.045 1.00 0.00 H new ATOM 327 N THR A 429 73.908 -7.347 -7.254 1.00 0.00 N ATOM 328 CA THR A 429 74.696 -6.158 -6.818 1.00 0.00 C ATOM 329 C THR A 429 74.291 -5.757 -5.394 1.00 0.00 C ATOM 330 O THR A 429 75.061 -5.161 -4.666 1.00 0.00 O ATOM 331 CB THR A 429 74.332 -5.054 -7.811 1.00 0.00 C ATOM 332 OG1 THR A 429 72.919 -4.977 -7.935 1.00 0.00 O ATOM 333 CG2 THR A 429 74.949 -5.367 -9.177 1.00 0.00 C ATOM 0 H THR A 429 72.897 -7.210 -7.276 1.00 0.00 H new ATOM 0 HA THR A 429 75.769 -6.352 -6.804 1.00 0.00 H new ATOM 0 HB THR A 429 74.718 -4.101 -7.450 1.00 0.00 H new ATOM 0 HG1 THR A 429 72.684 -4.269 -8.570 1.00 0.00 H new ATOM 0 HG21 THR A 429 74.688 -4.579 -9.883 1.00 0.00 H new ATOM 0 HG22 THR A 429 76.033 -5.425 -9.082 1.00 0.00 H new ATOM 0 HG23 THR A 429 74.565 -6.321 -9.540 1.00 0.00 H new ATOM 341 N TRP A 430 73.089 -6.083 -4.994 1.00 0.00 N ATOM 342 CA TRP A 430 72.632 -5.724 -3.619 1.00 0.00 C ATOM 343 C TRP A 430 73.348 -6.580 -2.576 1.00 0.00 C ATOM 344 O TRP A 430 73.971 -7.574 -2.892 1.00 0.00 O ATOM 345 CB TRP A 430 71.139 -6.041 -3.586 1.00 0.00 C ATOM 346 CG TRP A 430 70.546 -5.476 -2.346 1.00 0.00 C ATOM 347 CD1 TRP A 430 70.091 -4.215 -2.164 1.00 0.00 C ATOM 348 CD2 TRP A 430 70.351 -6.165 -1.108 1.00 0.00 C ATOM 349 NE1 TRP A 430 69.624 -4.103 -0.861 1.00 0.00 N ATOM 350 CE2 TRP A 430 69.768 -5.293 -0.170 1.00 0.00 C ATOM 351 CE3 TRP A 430 70.636 -7.466 -0.736 1.00 0.00 C ATOM 352 CZ2 TRP A 430 69.473 -5.719 1.126 1.00 0.00 C ATOM 353 CZ3 TRP A 430 70.347 -7.915 0.562 1.00 0.00 C ATOM 354 CH2 TRP A 430 69.765 -7.040 1.495 1.00 0.00 C ATOM 0 H TRP A 430 72.404 -6.583 -5.561 1.00 0.00 H new ATOM 0 HA TRP A 430 72.843 -4.678 -3.394 1.00 0.00 H new ATOM 0 HB2 TRP A 430 70.647 -5.621 -4.463 1.00 0.00 H new ATOM 0 HB3 TRP A 430 70.983 -7.119 -3.619 1.00 0.00 H new ATOM 0 HD1 TRP A 430 70.091 -3.430 -2.905 1.00 0.00 H new ATOM 0 HE1 TRP A 430 69.226 -3.252 -0.464 1.00 0.00 H new ATOM 0 HE3 TRP A 430 71.084 -8.142 -1.449 1.00 0.00 H new ATOM 0 HZ2 TRP A 430 69.025 -5.039 1.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 430 70.572 -8.933 0.844 1.00 0.00 H new ATOM 0 HH2 TRP A 430 69.543 -7.384 2.494 1.00 0.00 H new ATOM 365 N VAL A 431 73.239 -6.205 -1.331 1.00 0.00 N ATOM 366 CA VAL A 431 73.889 -6.991 -0.243 1.00 0.00 C ATOM 367 C VAL A 431 73.163 -6.732 1.082 1.00 0.00 C ATOM 368 O VAL A 431 72.425 -5.774 1.202 1.00 0.00 O ATOM 369 CB VAL A 431 75.327 -6.478 -0.166 1.00 0.00 C ATOM 370 CG1 VAL A 431 76.086 -6.855 -1.439 1.00 0.00 C ATOM 371 CG2 VAL A 431 75.326 -4.955 -0.005 1.00 0.00 C ATOM 0 H VAL A 431 72.724 -5.382 -1.018 1.00 0.00 H new ATOM 0 HA VAL A 431 73.857 -8.063 -0.436 1.00 0.00 H new ATOM 0 HB VAL A 431 75.819 -6.934 0.693 1.00 0.00 H new ATOM 0 HG11 VAL A 431 77.109 -6.485 -1.375 1.00 0.00 H new ATOM 0 HG12 VAL A 431 76.098 -7.939 -1.548 1.00 0.00 H new ATOM 0 HG13 VAL A 431 75.592 -6.409 -2.302 1.00 0.00 H new ATOM 0 HG21 VAL A 431 76.353 -4.594 0.049 1.00 0.00 H new ATOM 0 HG22 VAL A 431 74.826 -4.499 -0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 431 74.798 -4.686 0.910 1.00 0.00 H new ATOM 381 N PRO A 432 73.396 -7.591 2.041 1.00 0.00 N ATOM 382 CA PRO A 432 72.751 -7.432 3.366 1.00 0.00 C ATOM 383 C PRO A 432 73.366 -6.246 4.114 1.00 0.00 C ATOM 384 O PRO A 432 74.445 -6.339 4.666 1.00 0.00 O ATOM 385 CB PRO A 432 73.057 -8.748 4.076 1.00 0.00 C ATOM 386 CG PRO A 432 74.294 -9.264 3.414 1.00 0.00 C ATOM 387 CD PRO A 432 74.268 -8.773 1.990 1.00 0.00 C ATOM 0 HA PRO A 432 71.681 -7.231 3.304 1.00 0.00 H new ATOM 0 HB2 PRO A 432 73.215 -8.593 5.143 1.00 0.00 H new ATOM 0 HB3 PRO A 432 72.232 -9.453 3.975 1.00 0.00 H new ATOM 0 HG2 PRO A 432 75.185 -8.906 3.929 1.00 0.00 H new ATOM 0 HG3 PRO A 432 74.323 -10.353 3.446 1.00 0.00 H new ATOM 0 HD2 PRO A 432 75.267 -8.518 1.637 1.00 0.00 H new ATOM 0 HD3 PRO A 432 73.875 -9.531 1.313 1.00 0.00 H new ATOM 395 N PHE A 433 72.688 -5.129 4.130 1.00 0.00 N ATOM 396 CA PHE A 433 73.230 -3.932 4.835 1.00 0.00 C ATOM 397 C PHE A 433 72.425 -3.656 6.108 1.00 0.00 C ATOM 398 O PHE A 433 72.954 -3.194 7.100 1.00 0.00 O ATOM 399 CB PHE A 433 73.066 -2.783 3.839 1.00 0.00 C ATOM 400 CG PHE A 433 74.143 -1.751 4.074 1.00 0.00 C ATOM 401 CD1 PHE A 433 74.199 -1.063 5.291 1.00 0.00 C ATOM 402 CD2 PHE A 433 75.084 -1.482 3.074 1.00 0.00 C ATOM 403 CE1 PHE A 433 75.197 -0.105 5.508 1.00 0.00 C ATOM 404 CE2 PHE A 433 76.082 -0.525 3.291 1.00 0.00 C ATOM 405 CZ PHE A 433 76.139 0.164 4.508 1.00 0.00 C ATOM 0 H PHE A 433 71.781 -4.994 3.684 1.00 0.00 H new ATOM 0 HA PHE A 433 74.268 -4.066 5.140 1.00 0.00 H new ATOM 0 HB2 PHE A 433 73.127 -3.161 2.819 1.00 0.00 H new ATOM 0 HB3 PHE A 433 72.082 -2.328 3.952 1.00 0.00 H new ATOM 0 HD1 PHE A 433 73.473 -1.271 6.063 1.00 0.00 H new ATOM 0 HD2 PHE A 433 75.040 -2.013 2.135 1.00 0.00 H new ATOM 0 HE1 PHE A 433 75.240 0.427 6.447 1.00 0.00 H new ATOM 0 HE2 PHE A 433 76.808 -0.318 2.519 1.00 0.00 H new ATOM 0 HZ PHE A 433 76.909 0.903 4.675 1.00 0.00 H new ATOM 415 N TYR A 434 71.149 -3.934 6.084 1.00 0.00 N ATOM 416 CA TYR A 434 70.305 -3.685 7.291 1.00 0.00 C ATOM 417 C TYR A 434 70.577 -4.757 8.350 1.00 0.00 C ATOM 418 O TYR A 434 71.004 -5.853 8.041 1.00 0.00 O ATOM 419 CB TYR A 434 68.857 -3.772 6.798 1.00 0.00 C ATOM 420 CG TYR A 434 68.677 -2.890 5.583 1.00 0.00 C ATOM 421 CD1 TYR A 434 68.810 -1.500 5.699 1.00 0.00 C ATOM 422 CD2 TYR A 434 68.381 -3.464 4.342 1.00 0.00 C ATOM 423 CE1 TYR A 434 68.646 -0.685 4.572 1.00 0.00 C ATOM 424 CE2 TYR A 434 68.218 -2.649 3.215 1.00 0.00 C ATOM 425 CZ TYR A 434 68.350 -1.261 3.330 1.00 0.00 C ATOM 426 OH TYR A 434 68.188 -0.458 2.219 1.00 0.00 O ATOM 0 H TYR A 434 70.654 -4.323 5.281 1.00 0.00 H new ATOM 0 HA TYR A 434 70.517 -2.719 7.749 1.00 0.00 H new ATOM 0 HB2 TYR A 434 68.609 -4.804 6.550 1.00 0.00 H new ATOM 0 HB3 TYR A 434 68.174 -3.461 7.589 1.00 0.00 H new ATOM 0 HD1 TYR A 434 69.039 -1.057 6.657 1.00 0.00 H new ATOM 0 HD2 TYR A 434 68.278 -4.535 4.253 1.00 0.00 H new ATOM 0 HE1 TYR A 434 68.748 0.387 4.660 1.00 0.00 H new ATOM 0 HE2 TYR A 434 67.990 -3.092 2.257 1.00 0.00 H new ATOM 0 HH TYR A 434 67.988 -1.016 1.439 1.00 0.00 H new ATOM 436 N SER A 435 70.334 -4.449 9.596 1.00 0.00 N ATOM 437 CA SER A 435 70.581 -5.449 10.676 1.00 0.00 C ATOM 438 C SER A 435 69.297 -6.222 10.989 1.00 0.00 C ATOM 439 O SER A 435 69.335 -7.362 11.408 1.00 0.00 O ATOM 440 CB SER A 435 71.018 -4.624 11.885 1.00 0.00 C ATOM 441 OG SER A 435 70.977 -5.440 13.049 1.00 0.00 O ATOM 0 H SER A 435 69.975 -3.548 9.913 1.00 0.00 H new ATOM 0 HA SER A 435 71.332 -6.186 10.391 1.00 0.00 H new ATOM 0 HB2 SER A 435 72.026 -4.239 11.732 1.00 0.00 H new ATOM 0 HB3 SER A 435 70.363 -3.762 12.008 1.00 0.00 H new ATOM 0 HG SER A 435 71.258 -4.915 13.827 1.00 0.00 H new ATOM 447 N THR A 436 68.161 -5.610 10.791 1.00 0.00 N ATOM 448 CA THR A 436 66.873 -6.309 11.079 1.00 0.00 C ATOM 449 C THR A 436 66.520 -7.282 9.947 1.00 0.00 C ATOM 450 O THR A 436 65.545 -8.003 10.025 1.00 0.00 O ATOM 451 CB THR A 436 65.830 -5.194 11.172 1.00 0.00 C ATOM 452 OG1 THR A 436 65.862 -4.419 9.981 1.00 0.00 O ATOM 453 CG2 THR A 436 66.139 -4.301 12.374 1.00 0.00 C ATOM 0 H THR A 436 68.068 -4.656 10.442 1.00 0.00 H new ATOM 0 HA THR A 436 66.925 -6.900 11.993 1.00 0.00 H new ATOM 0 HB THR A 436 64.839 -5.632 11.295 1.00 0.00 H new ATOM 0 HG1 THR A 436 65.193 -3.705 10.037 1.00 0.00 H new ATOM 0 HG21 THR A 436 65.395 -3.507 12.438 1.00 0.00 H new ATOM 0 HG22 THR A 436 66.114 -4.897 13.286 1.00 0.00 H new ATOM 0 HG23 THR A 436 67.129 -3.861 12.255 1.00 0.00 H new ATOM 461 N GLU A 437 67.301 -7.310 8.898 1.00 0.00 N ATOM 462 CA GLU A 437 67.002 -8.239 7.770 1.00 0.00 C ATOM 463 C GLU A 437 68.097 -9.304 7.655 1.00 0.00 C ATOM 464 O GLU A 437 69.023 -9.341 8.442 1.00 0.00 O ATOM 465 CB GLU A 437 66.983 -7.353 6.523 1.00 0.00 C ATOM 466 CG GLU A 437 65.537 -6.999 6.170 1.00 0.00 C ATOM 467 CD GLU A 437 65.009 -5.959 7.160 1.00 0.00 C ATOM 468 OE1 GLU A 437 65.356 -4.799 7.011 1.00 0.00 O ATOM 469 OE2 GLU A 437 64.267 -6.341 8.050 1.00 0.00 O ATOM 0 H GLU A 437 68.131 -6.730 8.775 1.00 0.00 H new ATOM 0 HA GLU A 437 66.059 -8.768 7.910 1.00 0.00 H new ATOM 0 HB2 GLU A 437 67.558 -6.444 6.701 1.00 0.00 H new ATOM 0 HB3 GLU A 437 67.456 -7.871 5.689 1.00 0.00 H new ATOM 0 HG2 GLU A 437 65.485 -6.608 5.154 1.00 0.00 H new ATOM 0 HG3 GLU A 437 64.915 -7.894 6.200 1.00 0.00 H new ATOM 476 N LEU A 438 67.996 -10.169 6.682 1.00 0.00 N ATOM 477 CA LEU A 438 69.029 -11.234 6.514 1.00 0.00 C ATOM 478 C LEU A 438 69.757 -11.059 5.178 1.00 0.00 C ATOM 479 O LEU A 438 70.965 -10.947 5.128 1.00 0.00 O ATOM 480 CB LEU A 438 68.247 -12.548 6.533 1.00 0.00 C ATOM 481 CG LEU A 438 69.016 -13.590 7.349 1.00 0.00 C ATOM 482 CD1 LEU A 438 68.501 -13.592 8.790 1.00 0.00 C ATOM 483 CD2 LEU A 438 68.807 -14.975 6.732 1.00 0.00 C ATOM 0 H LEU A 438 67.242 -10.185 5.995 1.00 0.00 H new ATOM 0 HA LEU A 438 69.789 -11.201 7.295 1.00 0.00 H new ATOM 0 HB2 LEU A 438 67.259 -12.389 6.965 1.00 0.00 H new ATOM 0 HB3 LEU A 438 68.095 -12.908 5.515 1.00 0.00 H new ATOM 0 HG LEU A 438 70.078 -13.345 7.343 1.00 0.00 H new ATOM 0 HD11 LEU A 438 69.049 -14.334 9.371 1.00 0.00 H new ATOM 0 HD12 LEU A 438 68.648 -12.606 9.230 1.00 0.00 H new ATOM 0 HD13 LEU A 438 67.439 -13.838 8.797 1.00 0.00 H new ATOM 0 HD21 LEU A 438 69.354 -15.718 7.312 1.00 0.00 H new ATOM 0 HD22 LEU A 438 67.745 -15.220 6.739 1.00 0.00 H new ATOM 0 HD23 LEU A 438 69.173 -14.975 5.705 1.00 0.00 H new ATOM 495 N ASN A 439 69.027 -11.037 4.094 1.00 0.00 N ATOM 496 CA ASN A 439 69.671 -10.871 2.758 1.00 0.00 C ATOM 497 C ASN A 439 68.680 -10.254 1.768 1.00 0.00 C ATOM 498 O ASN A 439 68.631 -10.625 0.611 1.00 0.00 O ATOM 499 CB ASN A 439 70.059 -12.287 2.324 1.00 0.00 C ATOM 500 CG ASN A 439 68.811 -13.171 2.267 1.00 0.00 C ATOM 501 OD1 ASN A 439 68.480 -13.838 3.227 1.00 0.00 O ATOM 502 ND2 ASN A 439 68.100 -13.204 1.173 1.00 0.00 N ATOM 0 H ASN A 439 68.011 -11.127 4.076 1.00 0.00 H new ATOM 0 HA ASN A 439 70.535 -10.208 2.795 1.00 0.00 H new ATOM 0 HB2 ASN A 439 70.541 -12.259 1.347 1.00 0.00 H new ATOM 0 HB3 ASN A 439 70.782 -12.707 3.024 1.00 0.00 H new ATOM 0 HD21 ASN A 439 67.266 -13.790 1.124 1.00 0.00 H new ATOM 0 HD22 ASN A 439 68.378 -12.644 0.367 1.00 0.00 H new ATOM 509 N LYS A 440 67.890 -9.314 2.214 1.00 0.00 N ATOM 510 CA LYS A 440 66.901 -8.671 1.301 1.00 0.00 C ATOM 511 C LYS A 440 66.773 -7.177 1.625 1.00 0.00 C ATOM 512 O LYS A 440 67.019 -6.764 2.740 1.00 0.00 O ATOM 513 CB LYS A 440 65.579 -9.398 1.572 1.00 0.00 C ATOM 514 CG LYS A 440 65.186 -9.232 3.045 1.00 0.00 C ATOM 515 CD LYS A 440 65.003 -10.609 3.688 1.00 0.00 C ATOM 516 CE LYS A 440 63.759 -11.284 3.105 1.00 0.00 C ATOM 517 NZ LYS A 440 63.631 -12.565 3.854 1.00 0.00 N ATOM 0 H LYS A 440 67.887 -8.963 3.172 1.00 0.00 H new ATOM 0 HA LYS A 440 67.197 -8.743 0.254 1.00 0.00 H new ATOM 0 HB2 LYS A 440 64.795 -8.997 0.930 1.00 0.00 H new ATOM 0 HB3 LYS A 440 65.679 -10.456 1.330 1.00 0.00 H new ATOM 0 HG2 LYS A 440 65.955 -8.671 3.576 1.00 0.00 H new ATOM 0 HG3 LYS A 440 64.263 -8.658 3.123 1.00 0.00 H new ATOM 0 HD2 LYS A 440 65.883 -11.226 3.507 1.00 0.00 H new ATOM 0 HD3 LYS A 440 64.902 -10.507 4.768 1.00 0.00 H new ATOM 0 HE2 LYS A 440 62.874 -10.661 3.234 1.00 0.00 H new ATOM 0 HE3 LYS A 440 63.870 -11.461 2.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 440 62.799 -13.086 3.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 440 64.485 -13.140 3.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 440 63.520 -12.364 4.868 1.00 0.00 H new ATOM 531 N PRO A 441 66.388 -6.414 0.634 1.00 0.00 N ATOM 532 CA PRO A 441 66.224 -4.950 0.821 1.00 0.00 C ATOM 533 C PRO A 441 65.026 -4.646 1.725 1.00 0.00 C ATOM 534 O PRO A 441 64.045 -5.364 1.736 1.00 0.00 O ATOM 535 CB PRO A 441 65.975 -4.430 -0.593 1.00 0.00 C ATOM 536 CG PRO A 441 65.433 -5.605 -1.341 1.00 0.00 C ATOM 537 CD PRO A 441 66.070 -6.829 -0.740 1.00 0.00 C ATOM 0 HA PRO A 441 67.088 -4.488 1.299 1.00 0.00 H new ATOM 0 HB2 PRO A 441 65.267 -3.601 -0.591 1.00 0.00 H new ATOM 0 HB3 PRO A 441 66.895 -4.062 -1.047 1.00 0.00 H new ATOM 0 HG2 PRO A 441 64.347 -5.652 -1.255 1.00 0.00 H new ATOM 0 HG3 PRO A 441 65.666 -5.529 -2.403 1.00 0.00 H new ATOM 0 HD2 PRO A 441 65.392 -7.682 -0.754 1.00 0.00 H new ATOM 0 HD3 PRO A 441 66.965 -7.125 -1.287 1.00 0.00 H new ATOM 545 N ALA A 442 65.099 -3.580 2.476 1.00 0.00 N ATOM 546 CA ALA A 442 63.965 -3.213 3.373 1.00 0.00 C ATOM 547 C ALA A 442 63.065 -2.197 2.670 1.00 0.00 C ATOM 548 O ALA A 442 63.339 -1.013 2.658 1.00 0.00 O ATOM 549 CB ALA A 442 64.620 -2.593 4.607 1.00 0.00 C ATOM 0 H ALA A 442 65.897 -2.946 2.507 1.00 0.00 H new ATOM 0 HA ALA A 442 63.343 -4.068 3.636 1.00 0.00 H new ATOM 0 HB1 ALA A 442 63.849 -2.296 5.318 1.00 0.00 H new ATOM 0 HB2 ALA A 442 65.281 -3.323 5.074 1.00 0.00 H new ATOM 0 HB3 ALA A 442 65.198 -1.717 4.311 1.00 0.00 H new ATOM 555 N MET A 443 61.997 -2.654 2.073 1.00 0.00 N ATOM 556 CA MET A 443 61.082 -1.718 1.358 1.00 0.00 C ATOM 557 C MET A 443 60.140 -1.024 2.347 1.00 0.00 C ATOM 558 O MET A 443 59.686 -1.615 3.306 1.00 0.00 O ATOM 559 CB MET A 443 60.283 -2.599 0.398 1.00 0.00 C ATOM 560 CG MET A 443 61.126 -2.911 -0.839 1.00 0.00 C ATOM 561 SD MET A 443 60.263 -4.128 -1.864 1.00 0.00 S ATOM 562 CE MET A 443 59.776 -3.003 -3.193 1.00 0.00 C ATOM 0 H MET A 443 61.719 -3.635 2.050 1.00 0.00 H new ATOM 0 HA MET A 443 61.630 -0.932 0.838 1.00 0.00 H new ATOM 0 HB2 MET A 443 59.993 -3.525 0.895 1.00 0.00 H new ATOM 0 HB3 MET A 443 59.363 -2.093 0.105 1.00 0.00 H new ATOM 0 HG2 MET A 443 61.305 -2.000 -1.410 1.00 0.00 H new ATOM 0 HG3 MET A 443 62.101 -3.297 -0.540 1.00 0.00 H new ATOM 0 HE1 MET A 443 58.936 -3.429 -3.741 1.00 0.00 H new ATOM 0 HE2 MET A 443 59.483 -2.043 -2.768 1.00 0.00 H new ATOM 0 HE3 MET A 443 60.616 -2.858 -3.873 1.00 0.00 H new ATOM 572 N ILE A 444 59.838 0.223 2.109 1.00 0.00 N ATOM 573 CA ILE A 444 58.918 0.964 3.018 1.00 0.00 C ATOM 574 C ILE A 444 57.606 1.263 2.288 1.00 0.00 C ATOM 575 O ILE A 444 57.557 1.286 1.073 1.00 0.00 O ATOM 576 CB ILE A 444 59.657 2.258 3.365 1.00 0.00 C ATOM 577 CG1 ILE A 444 59.988 3.027 2.081 1.00 0.00 C ATOM 578 CG2 ILE A 444 60.952 1.924 4.105 1.00 0.00 C ATOM 579 CD1 ILE A 444 60.347 4.471 2.430 1.00 0.00 C ATOM 0 H ILE A 444 60.191 0.763 1.319 1.00 0.00 H new ATOM 0 HA ILE A 444 58.665 0.397 3.914 1.00 0.00 H new ATOM 0 HB ILE A 444 59.021 2.874 4.001 1.00 0.00 H new ATOM 0 HG12 ILE A 444 60.819 2.549 1.563 1.00 0.00 H new ATOM 0 HG13 ILE A 444 59.135 3.007 1.402 1.00 0.00 H new ATOM 0 HG21 ILE A 444 61.478 2.846 4.352 1.00 0.00 H new ATOM 0 HG22 ILE A 444 60.718 1.383 5.022 1.00 0.00 H new ATOM 0 HG23 ILE A 444 61.585 1.304 3.470 1.00 0.00 H new ATOM 0 HD11 ILE A 444 60.582 5.018 1.517 1.00 0.00 H new ATOM 0 HD12 ILE A 444 59.502 4.945 2.930 1.00 0.00 H new ATOM 0 HD13 ILE A 444 61.213 4.481 3.092 1.00 0.00 H new ATOM 591 N TYR A 445 56.542 1.488 3.013 1.00 0.00 N ATOM 592 CA TYR A 445 55.237 1.778 2.349 1.00 0.00 C ATOM 593 C TYR A 445 55.046 3.291 2.176 1.00 0.00 C ATOM 594 O TYR A 445 55.363 4.070 3.054 1.00 0.00 O ATOM 595 CB TYR A 445 54.175 1.183 3.285 1.00 0.00 C ATOM 596 CG TYR A 445 53.818 2.170 4.374 1.00 0.00 C ATOM 597 CD1 TYR A 445 52.808 3.113 4.154 1.00 0.00 C ATOM 598 CD2 TYR A 445 54.494 2.141 5.599 1.00 0.00 C ATOM 599 CE1 TYR A 445 52.474 4.029 5.159 1.00 0.00 C ATOM 600 CE2 TYR A 445 54.161 3.057 6.604 1.00 0.00 C ATOM 601 CZ TYR A 445 53.150 4.000 6.383 1.00 0.00 C ATOM 602 OH TYR A 445 52.821 4.903 7.374 1.00 0.00 O ATOM 0 H TYR A 445 56.520 1.484 4.033 1.00 0.00 H new ATOM 0 HA TYR A 445 55.175 1.349 1.349 1.00 0.00 H new ATOM 0 HB2 TYR A 445 53.283 0.923 2.715 1.00 0.00 H new ATOM 0 HB3 TYR A 445 54.549 0.261 3.730 1.00 0.00 H new ATOM 0 HD1 TYR A 445 52.286 3.134 3.209 1.00 0.00 H new ATOM 0 HD2 TYR A 445 55.273 1.412 5.769 1.00 0.00 H new ATOM 0 HE1 TYR A 445 51.695 4.757 4.989 1.00 0.00 H new ATOM 0 HE2 TYR A 445 54.684 3.036 7.549 1.00 0.00 H new ATOM 0 HH TYR A 445 53.385 4.746 8.160 1.00 0.00 H new ATOM 612 N CYS A 446 54.527 3.708 1.051 1.00 0.00 N ATOM 613 CA CYS A 446 54.311 5.167 0.822 1.00 0.00 C ATOM 614 C CYS A 446 52.904 5.570 1.280 1.00 0.00 C ATOM 615 O CYS A 446 52.027 4.740 1.418 1.00 0.00 O ATOM 616 CB CYS A 446 54.460 5.358 -0.689 1.00 0.00 C ATOM 617 SG CYS A 446 54.274 7.112 -1.102 1.00 0.00 S ATOM 0 H CYS A 446 54.244 3.102 0.281 1.00 0.00 H new ATOM 0 HA CYS A 446 55.016 5.783 1.381 1.00 0.00 H new ATOM 0 HB2 CYS A 446 55.435 4.998 -1.017 1.00 0.00 H new ATOM 0 HB3 CYS A 446 53.710 4.769 -1.216 1.00 0.00 H new ATOM 0 HG CYS A 446 54.224 7.251 -2.394 1.00 0.00 H new ATOM 622 N SER A 447 52.687 6.836 1.516 1.00 0.00 N ATOM 623 CA SER A 447 51.340 7.293 1.965 1.00 0.00 C ATOM 624 C SER A 447 50.524 7.797 0.761 1.00 0.00 C ATOM 625 O SER A 447 50.147 7.025 -0.100 1.00 0.00 O ATOM 626 CB SER A 447 51.621 8.419 2.964 1.00 0.00 C ATOM 627 OG SER A 447 50.389 8.931 3.454 1.00 0.00 O ATOM 0 H SER A 447 53.384 7.574 1.417 1.00 0.00 H new ATOM 0 HA SER A 447 50.753 6.495 2.420 1.00 0.00 H new ATOM 0 HB2 SER A 447 52.227 8.045 3.790 1.00 0.00 H new ATOM 0 HB3 SER A 447 52.192 9.213 2.483 1.00 0.00 H new ATOM 0 HG SER A 447 50.566 9.651 4.095 1.00 0.00 H new ATOM 633 N HIS A 448 50.246 9.078 0.685 1.00 0.00 N ATOM 634 CA HIS A 448 49.455 9.611 -0.468 1.00 0.00 C ATOM 635 C HIS A 448 48.153 8.821 -0.634 1.00 0.00 C ATOM 636 O HIS A 448 47.747 8.086 0.244 1.00 0.00 O ATOM 637 CB HIS A 448 50.357 9.426 -1.691 1.00 0.00 C ATOM 638 CG HIS A 448 50.206 10.604 -2.614 1.00 0.00 C ATOM 639 ND1 HIS A 448 51.120 10.877 -3.619 1.00 0.00 N ATOM 640 CD2 HIS A 448 49.252 11.590 -2.698 1.00 0.00 C ATOM 641 CE1 HIS A 448 50.702 11.986 -4.258 1.00 0.00 C ATOM 642 NE2 HIS A 448 49.568 12.461 -3.736 1.00 0.00 N ATOM 0 H HIS A 448 50.533 9.776 1.372 1.00 0.00 H new ATOM 0 HA HIS A 448 49.173 10.654 -0.324 1.00 0.00 H new ATOM 0 HB2 HIS A 448 51.396 9.328 -1.377 1.00 0.00 H new ATOM 0 HB3 HIS A 448 50.094 8.506 -2.213 1.00 0.00 H new ATOM 0 HD2 HIS A 448 48.388 11.676 -2.056 1.00 0.00 H new ATOM 0 HE1 HIS A 448 51.221 12.437 -5.091 1.00 0.00 H new ATOM 0 HE2 HIS A 448 49.046 13.285 -4.034 1.00 0.00 H new ATOM 650 N GLY A 449 47.499 8.965 -1.756 1.00 0.00 N ATOM 651 CA GLY A 449 46.227 8.220 -1.981 1.00 0.00 C ATOM 652 C GLY A 449 46.513 6.717 -1.977 1.00 0.00 C ATOM 653 O GLY A 449 46.238 6.027 -1.016 1.00 0.00 O ATOM 0 H GLY A 449 47.791 9.567 -2.526 1.00 0.00 H new ATOM 0 HA2 GLY A 449 45.505 8.466 -1.202 1.00 0.00 H new ATOM 0 HA3 GLY A 449 45.783 8.515 -2.932 1.00 0.00 H new ATOM 657 N ASP A 450 47.069 6.209 -3.044 1.00 0.00 N ATOM 658 CA ASP A 450 47.380 4.751 -3.101 1.00 0.00 C ATOM 659 C ASP A 450 48.450 4.406 -2.062 1.00 0.00 C ATOM 660 O ASP A 450 48.707 5.166 -1.149 1.00 0.00 O ATOM 661 CB ASP A 450 47.906 4.509 -4.516 1.00 0.00 C ATOM 662 CG ASP A 450 46.812 4.844 -5.533 1.00 0.00 C ATOM 663 OD1 ASP A 450 45.694 4.397 -5.340 1.00 0.00 O ATOM 664 OD2 ASP A 450 47.113 5.542 -6.488 1.00 0.00 O ATOM 0 H ASP A 450 47.321 6.740 -3.878 1.00 0.00 H new ATOM 0 HA ASP A 450 46.510 4.132 -2.883 1.00 0.00 H new ATOM 0 HB2 ASP A 450 48.787 5.125 -4.698 1.00 0.00 H new ATOM 0 HB3 ASP A 450 48.215 3.470 -4.628 1.00 0.00 H new ATOM 669 N GLY A 451 49.076 3.267 -2.193 1.00 0.00 N ATOM 670 CA GLY A 451 50.130 2.879 -1.212 1.00 0.00 C ATOM 671 C GLY A 451 50.944 1.711 -1.771 1.00 0.00 C ATOM 672 O GLY A 451 50.428 0.634 -1.995 1.00 0.00 O ATOM 0 H GLY A 451 48.903 2.590 -2.936 1.00 0.00 H new ATOM 0 HA2 GLY A 451 50.784 3.728 -1.010 1.00 0.00 H new ATOM 0 HA3 GLY A 451 49.673 2.596 -0.264 1.00 0.00 H new ATOM 676 N HIS A 452 52.216 1.914 -1.984 1.00 0.00 N ATOM 677 CA HIS A 452 53.069 0.810 -2.514 1.00 0.00 C ATOM 678 C HIS A 452 54.314 0.640 -1.656 1.00 0.00 C ATOM 679 O HIS A 452 54.544 1.374 -0.715 1.00 0.00 O ATOM 680 CB HIS A 452 53.454 1.188 -3.947 1.00 0.00 C ATOM 681 CG HIS A 452 54.179 2.511 -3.987 1.00 0.00 C ATOM 682 ND1 HIS A 452 53.869 3.758 -3.498 1.00 0.00 N flip ATOM 683 CD2 HIS A 452 55.402 2.654 -4.626 1.00 0.00 C flip ATOM 684 CE1 HIS A 452 54.878 4.653 -3.823 1.00 0.00 C flip ATOM 685 NE2 HIS A 452 55.776 3.940 -4.503 1.00 0.00 N flip ATOM 0 H HIS A 452 52.701 2.795 -1.814 1.00 0.00 H new ATOM 0 HA HIS A 452 52.530 -0.137 -2.496 1.00 0.00 H new ATOM 0 HB2 HIS A 452 54.088 0.410 -4.373 1.00 0.00 H new ATOM 0 HB3 HIS A 452 52.558 1.243 -4.565 1.00 0.00 H new ATOM 0 HD2 HIS A 452 55.953 1.874 -5.130 1.00 0.00 H new ATOM 0 HE1 HIS A 452 54.926 5.704 -3.577 1.00 0.00 H new ATOM 0 HE2 HIS A 452 56.641 4.323 -4.884 1.00 0.00 H new ATOM 693 N TRP A 453 55.108 -0.336 -1.975 1.00 0.00 N ATOM 694 CA TRP A 453 56.342 -0.589 -1.185 1.00 0.00 C ATOM 695 C TRP A 453 57.588 -0.374 -2.050 1.00 0.00 C ATOM 696 O TRP A 453 57.672 -0.854 -3.164 1.00 0.00 O ATOM 697 CB TRP A 453 56.222 -2.049 -0.761 1.00 0.00 C ATOM 698 CG TRP A 453 55.575 -2.127 0.586 1.00 0.00 C ATOM 699 CD1 TRP A 453 54.312 -1.727 0.862 1.00 0.00 C ATOM 700 CD2 TRP A 453 56.129 -2.625 1.839 1.00 0.00 C ATOM 701 NE1 TRP A 453 54.057 -1.945 2.204 1.00 0.00 N ATOM 702 CE2 TRP A 453 55.146 -2.497 2.848 1.00 0.00 C ATOM 703 CE3 TRP A 453 57.377 -3.168 2.193 1.00 0.00 C ATOM 704 CZ2 TRP A 453 55.392 -2.894 4.163 1.00 0.00 C ATOM 705 CZ3 TRP A 453 57.628 -3.569 3.516 1.00 0.00 C ATOM 706 CH2 TRP A 453 56.637 -3.433 4.498 1.00 0.00 C ATOM 0 H TRP A 453 54.956 -0.976 -2.755 1.00 0.00 H new ATOM 0 HA TRP A 453 56.441 0.084 -0.334 1.00 0.00 H new ATOM 0 HB2 TRP A 453 55.633 -2.603 -1.492 1.00 0.00 H new ATOM 0 HB3 TRP A 453 57.208 -2.512 -0.730 1.00 0.00 H new ATOM 0 HD1 TRP A 453 53.617 -1.306 0.151 1.00 0.00 H new ATOM 0 HE1 TRP A 453 53.172 -1.725 2.662 1.00 0.00 H new ATOM 0 HE3 TRP A 453 58.147 -3.277 1.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 453 54.626 -2.785 4.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 453 58.590 -3.984 3.778 1.00 0.00 H new ATOM 0 HH2 TRP A 453 56.836 -3.745 5.513 1.00 0.00 H new ATOM 717 N VAL A 454 58.558 0.342 -1.543 1.00 0.00 N ATOM 718 CA VAL A 454 59.804 0.588 -2.331 1.00 0.00 C ATOM 719 C VAL A 454 61.029 0.555 -1.409 1.00 0.00 C ATOM 720 O VAL A 454 60.954 0.915 -0.253 1.00 0.00 O ATOM 721 CB VAL A 454 59.625 1.979 -2.951 1.00 0.00 C ATOM 722 CG1 VAL A 454 58.550 1.919 -4.038 1.00 0.00 C ATOM 723 CG2 VAL A 454 59.201 2.977 -1.876 1.00 0.00 C ATOM 0 H VAL A 454 58.542 0.768 -0.616 1.00 0.00 H new ATOM 0 HA VAL A 454 59.964 -0.173 -3.095 1.00 0.00 H new ATOM 0 HB VAL A 454 60.571 2.300 -3.387 1.00 0.00 H new ATOM 0 HG11 VAL A 454 58.423 2.908 -4.479 1.00 0.00 H new ATOM 0 HG12 VAL A 454 58.853 1.213 -4.811 1.00 0.00 H new ATOM 0 HG13 VAL A 454 57.607 1.593 -3.599 1.00 0.00 H new ATOM 0 HG21 VAL A 454 59.076 3.963 -2.324 1.00 0.00 H new ATOM 0 HG22 VAL A 454 58.258 2.657 -1.434 1.00 0.00 H new ATOM 0 HG23 VAL A 454 59.967 3.025 -1.102 1.00 0.00 H new ATOM 733 N HIS A 455 62.155 0.112 -1.913 1.00 0.00 N ATOM 734 CA HIS A 455 63.393 0.038 -1.067 1.00 0.00 C ATOM 735 C HIS A 455 63.607 1.345 -0.297 1.00 0.00 C ATOM 736 O HIS A 455 63.080 2.381 -0.654 1.00 0.00 O ATOM 737 CB HIS A 455 64.550 -0.188 -2.050 1.00 0.00 C ATOM 738 CG HIS A 455 64.263 -1.375 -2.915 1.00 0.00 C ATOM 739 ND1 HIS A 455 64.255 -1.300 -4.312 1.00 0.00 N ATOM 740 CD2 HIS A 455 63.942 -2.663 -2.602 1.00 0.00 C ATOM 741 CE1 HIS A 455 63.925 -2.525 -4.781 1.00 0.00 C ATOM 742 NE2 HIS A 455 63.732 -3.361 -3.773 1.00 0.00 N ATOM 0 H HIS A 455 62.273 -0.203 -2.876 1.00 0.00 H new ATOM 0 HA HIS A 455 63.320 -0.759 -0.327 1.00 0.00 H new ATOM 0 HB2 HIS A 455 64.690 0.698 -2.669 1.00 0.00 H new ATOM 0 HB3 HIS A 455 65.479 -0.344 -1.501 1.00 0.00 H new ATOM 0 HD2 HIS A 455 63.865 -3.069 -1.604 1.00 0.00 H new ATOM 0 HE1 HIS A 455 63.832 -2.783 -5.826 1.00 0.00 H new ATOM 0 HE2 HIS A 455 63.474 -4.345 -3.849 1.00 0.00 H new ATOM 750 N ALA A 456 64.379 1.302 0.757 1.00 0.00 N ATOM 751 CA ALA A 456 64.633 2.537 1.552 1.00 0.00 C ATOM 752 C ALA A 456 65.956 3.177 1.124 1.00 0.00 C ATOM 753 O ALA A 456 66.029 4.364 0.870 1.00 0.00 O ATOM 754 CB ALA A 456 64.711 2.064 3.004 1.00 0.00 C ATOM 0 H ALA A 456 64.845 0.463 1.101 1.00 0.00 H new ATOM 0 HA ALA A 456 63.856 3.288 1.409 1.00 0.00 H new ATOM 0 HB1 ALA A 456 64.897 2.918 3.655 1.00 0.00 H new ATOM 0 HB2 ALA A 456 63.769 1.592 3.284 1.00 0.00 H new ATOM 0 HB3 ALA A 456 65.523 1.344 3.109 1.00 0.00 H new ATOM 760 N GLN A 457 67.003 2.399 1.040 1.00 0.00 N ATOM 761 CA GLN A 457 68.324 2.960 0.625 1.00 0.00 C ATOM 762 C GLN A 457 68.212 3.596 -0.764 1.00 0.00 C ATOM 763 O GLN A 457 68.873 4.571 -1.064 1.00 0.00 O ATOM 764 CB GLN A 457 69.277 1.764 0.596 1.00 0.00 C ATOM 765 CG GLN A 457 70.665 2.224 0.146 1.00 0.00 C ATOM 766 CD GLN A 457 71.731 1.327 0.780 1.00 0.00 C ATOM 767 OE1 GLN A 457 71.694 1.065 1.966 1.00 0.00 O ATOM 768 NE2 GLN A 457 72.686 0.843 0.035 1.00 0.00 N ATOM 0 H GLN A 457 67.001 1.399 1.241 1.00 0.00 H new ATOM 0 HA GLN A 457 68.674 3.738 1.304 1.00 0.00 H new ATOM 0 HB2 GLN A 457 69.336 1.310 1.585 1.00 0.00 H new ATOM 0 HB3 GLN A 457 68.898 1.001 -0.083 1.00 0.00 H new ATOM 0 HG2 GLN A 457 70.739 2.182 -0.941 1.00 0.00 H new ATOM 0 HG3 GLN A 457 70.828 3.262 0.437 1.00 0.00 H new ATOM 0 HE21 GLN A 457 72.717 1.063 -0.961 1.00 0.00 H new ATOM 0 HE22 GLN A 457 73.401 0.245 0.448 1.00 0.00 H new ATOM 777 N CYS A 458 67.376 3.053 -1.612 1.00 0.00 N ATOM 778 CA CYS A 458 67.218 3.630 -2.979 1.00 0.00 C ATOM 779 C CYS A 458 66.813 5.105 -2.882 1.00 0.00 C ATOM 780 O CYS A 458 67.026 5.879 -3.795 1.00 0.00 O ATOM 781 CB CYS A 458 66.103 2.811 -3.636 1.00 0.00 C ATOM 782 SG CYS A 458 66.769 1.226 -4.204 1.00 0.00 S ATOM 0 H CYS A 458 66.797 2.236 -1.416 1.00 0.00 H new ATOM 0 HA CYS A 458 68.143 3.587 -3.554 1.00 0.00 H new ATOM 0 HB2 CYS A 458 65.294 2.643 -2.925 1.00 0.00 H new ATOM 0 HB3 CYS A 458 65.680 3.362 -4.476 1.00 0.00 H new ATOM 0 HG CYS A 458 66.298 0.955 -5.385 1.00 0.00 H new ATOM 787 N MET A 459 66.233 5.496 -1.778 1.00 0.00 N ATOM 788 CA MET A 459 65.814 6.919 -1.613 1.00 0.00 C ATOM 789 C MET A 459 66.835 7.666 -0.751 1.00 0.00 C ATOM 790 O MET A 459 66.492 8.554 0.004 1.00 0.00 O ATOM 791 CB MET A 459 64.456 6.862 -0.903 1.00 0.00 C ATOM 792 CG MET A 459 63.530 5.872 -1.621 1.00 0.00 C ATOM 793 SD MET A 459 62.005 6.708 -2.121 1.00 0.00 S ATOM 794 CE MET A 459 61.563 5.575 -3.462 1.00 0.00 C ATOM 0 H MET A 459 66.031 4.891 -0.982 1.00 0.00 H new ATOM 0 HA MET A 459 65.749 7.443 -2.567 1.00 0.00 H new ATOM 0 HB2 MET A 459 64.592 6.559 0.135 1.00 0.00 H new ATOM 0 HB3 MET A 459 64.002 7.853 -0.889 1.00 0.00 H new ATOM 0 HG2 MET A 459 64.033 5.459 -2.496 1.00 0.00 H new ATOM 0 HG3 MET A 459 63.297 5.035 -0.963 1.00 0.00 H new ATOM 0 HE1 MET A 459 60.494 5.648 -3.662 1.00 0.00 H new ATOM 0 HE2 MET A 459 62.119 5.840 -4.361 1.00 0.00 H new ATOM 0 HE3 MET A 459 61.809 4.554 -3.171 1.00 0.00 H new ATOM 804 N ASP A 460 68.089 7.307 -0.855 1.00 0.00 N ATOM 805 CA ASP A 460 69.141 7.988 -0.040 1.00 0.00 C ATOM 806 C ASP A 460 68.809 7.880 1.452 1.00 0.00 C ATOM 807 O ASP A 460 68.403 8.839 2.078 1.00 0.00 O ATOM 808 CB ASP A 460 69.120 9.450 -0.493 1.00 0.00 C ATOM 809 CG ASP A 460 70.485 10.088 -0.221 1.00 0.00 C ATOM 810 OD1 ASP A 460 70.908 10.070 0.922 1.00 0.00 O ATOM 811 OD2 ASP A 460 71.083 10.584 -1.163 1.00 0.00 O ATOM 0 H ASP A 460 68.431 6.569 -1.471 1.00 0.00 H new ATOM 0 HA ASP A 460 70.123 7.537 -0.179 1.00 0.00 H new ATOM 0 HB2 ASP A 460 68.884 9.509 -1.556 1.00 0.00 H new ATOM 0 HB3 ASP A 460 68.339 9.995 0.038 1.00 0.00 H new ATOM 816 N LEU A 461 68.977 6.716 2.023 1.00 0.00 N ATOM 817 CA LEU A 461 68.672 6.541 3.474 1.00 0.00 C ATOM 818 C LEU A 461 69.779 5.730 4.152 1.00 0.00 C ATOM 819 O LEU A 461 70.791 5.421 3.553 1.00 0.00 O ATOM 820 CB LEU A 461 67.347 5.775 3.511 1.00 0.00 C ATOM 821 CG LEU A 461 66.220 6.717 3.939 1.00 0.00 C ATOM 822 CD1 LEU A 461 65.595 7.364 2.703 1.00 0.00 C ATOM 823 CD2 LEU A 461 65.152 5.921 4.694 1.00 0.00 C ATOM 0 H LEU A 461 69.312 5.879 1.547 1.00 0.00 H new ATOM 0 HA LEU A 461 68.607 7.493 4.000 1.00 0.00 H new ATOM 0 HB2 LEU A 461 67.130 5.356 2.528 1.00 0.00 H new ATOM 0 HB3 LEU A 461 67.419 4.938 4.206 1.00 0.00 H new ATOM 0 HG LEU A 461 66.623 7.494 4.588 1.00 0.00 H new ATOM 0 HD11 LEU A 461 64.792 8.035 3.010 1.00 0.00 H new ATOM 0 HD12 LEU A 461 66.355 7.930 2.165 1.00 0.00 H new ATOM 0 HD13 LEU A 461 65.191 6.589 2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 461 64.348 6.590 5.000 1.00 0.00 H new ATOM 0 HD22 LEU A 461 64.750 5.144 4.044 1.00 0.00 H new ATOM 0 HD23 LEU A 461 65.597 5.461 5.576 1.00 0.00 H new ATOM 835 N GLU A 462 69.594 5.382 5.398 1.00 0.00 N ATOM 836 CA GLU A 462 70.635 4.589 6.117 1.00 0.00 C ATOM 837 C GLU A 462 69.971 3.548 7.024 1.00 0.00 C ATOM 838 O GLU A 462 68.791 3.282 6.918 1.00 0.00 O ATOM 839 CB GLU A 462 71.408 5.613 6.950 1.00 0.00 C ATOM 840 CG GLU A 462 72.709 5.981 6.233 1.00 0.00 C ATOM 841 CD GLU A 462 73.824 6.174 7.262 1.00 0.00 C ATOM 842 OE1 GLU A 462 74.072 5.249 8.018 1.00 0.00 O ATOM 843 OE2 GLU A 462 74.410 7.244 7.277 1.00 0.00 O ATOM 0 H GLU A 462 68.767 5.612 5.949 1.00 0.00 H new ATOM 0 HA GLU A 462 71.287 4.045 5.434 1.00 0.00 H new ATOM 0 HB2 GLU A 462 70.801 6.505 7.103 1.00 0.00 H new ATOM 0 HB3 GLU A 462 71.628 5.203 7.936 1.00 0.00 H new ATOM 0 HG2 GLU A 462 72.982 5.196 5.528 1.00 0.00 H new ATOM 0 HG3 GLU A 462 72.572 6.895 5.655 1.00 0.00 H new ATOM 850 N GLU A 463 70.725 2.958 7.914 1.00 0.00 N ATOM 851 CA GLU A 463 70.141 1.934 8.829 1.00 0.00 C ATOM 852 C GLU A 463 69.355 2.613 9.953 1.00 0.00 C ATOM 853 O GLU A 463 68.351 2.107 10.415 1.00 0.00 O ATOM 854 CB GLU A 463 71.343 1.177 9.396 1.00 0.00 C ATOM 855 CG GLU A 463 70.855 -0.029 10.204 1.00 0.00 C ATOM 856 CD GLU A 463 70.896 0.304 11.697 1.00 0.00 C ATOM 857 OE1 GLU A 463 70.083 1.105 12.127 1.00 0.00 O ATOM 858 OE2 GLU A 463 71.739 -0.249 12.384 1.00 0.00 O ATOM 0 H GLU A 463 71.720 3.141 8.047 1.00 0.00 H new ATOM 0 HA GLU A 463 69.447 1.270 8.314 1.00 0.00 H new ATOM 0 HB2 GLU A 463 71.993 0.846 8.586 1.00 0.00 H new ATOM 0 HB3 GLU A 463 71.935 1.837 10.030 1.00 0.00 H new ATOM 0 HG2 GLU A 463 69.840 -0.292 9.907 1.00 0.00 H new ATOM 0 HG3 GLU A 463 71.482 -0.896 9.997 1.00 0.00 H new ATOM 865 N ARG A 464 69.805 3.757 10.396 1.00 0.00 N ATOM 866 CA ARG A 464 69.085 4.471 11.492 1.00 0.00 C ATOM 867 C ARG A 464 67.694 4.900 11.020 1.00 0.00 C ATOM 868 O ARG A 464 66.695 4.556 11.622 1.00 0.00 O ATOM 869 CB ARG A 464 69.947 5.697 11.806 1.00 0.00 C ATOM 870 CG ARG A 464 70.744 5.449 13.090 1.00 0.00 C ATOM 871 CD ARG A 464 71.554 6.699 13.438 1.00 0.00 C ATOM 872 NE ARG A 464 70.582 7.618 14.090 1.00 0.00 N ATOM 873 CZ ARG A 464 70.995 8.484 14.975 1.00 0.00 C ATOM 874 NH1 ARG A 464 72.054 9.207 14.736 1.00 0.00 N ATOM 875 NH2 ARG A 464 70.347 8.627 16.099 1.00 0.00 N ATOM 0 H ARG A 464 70.640 4.228 10.047 1.00 0.00 H new ATOM 0 HA ARG A 464 68.942 3.840 12.369 1.00 0.00 H new ATOM 0 HB2 ARG A 464 70.626 5.899 10.978 1.00 0.00 H new ATOM 0 HB3 ARG A 464 69.316 6.578 11.922 1.00 0.00 H new ATOM 0 HG2 ARG A 464 70.068 5.202 13.908 1.00 0.00 H new ATOM 0 HG3 ARG A 464 71.410 4.596 12.958 1.00 0.00 H new ATOM 0 HD2 ARG A 464 72.381 6.460 14.107 1.00 0.00 H new ATOM 0 HD3 ARG A 464 71.986 7.151 12.545 1.00 0.00 H new ATOM 0 HE ARG A 464 69.593 7.571 13.845 1.00 0.00 H new ATOM 0 HH11 ARG A 464 72.560 9.096 13.857 1.00 0.00 H new ATOM 0 HH12 ARG A 464 72.376 9.884 15.428 1.00 0.00 H new ATOM 0 HH21 ARG A 464 69.518 8.062 16.285 1.00 0.00 H new ATOM 0 HH22 ARG A 464 70.669 9.304 16.791 1.00 0.00 H new ATOM 889 N THR A 465 67.621 5.647 9.949 1.00 0.00 N ATOM 890 CA THR A 465 66.292 6.104 9.434 1.00 0.00 C ATOM 891 C THR A 465 65.305 4.935 9.388 1.00 0.00 C ATOM 892 O THR A 465 64.146 5.078 9.721 1.00 0.00 O ATOM 893 CB THR A 465 66.570 6.628 8.024 1.00 0.00 C ATOM 894 OG1 THR A 465 67.769 7.390 8.030 1.00 0.00 O ATOM 895 CG2 THR A 465 65.406 7.509 7.567 1.00 0.00 C ATOM 0 H THR A 465 68.425 5.962 9.406 1.00 0.00 H new ATOM 0 HA THR A 465 65.846 6.867 10.072 1.00 0.00 H new ATOM 0 HB THR A 465 66.678 5.787 7.339 1.00 0.00 H new ATOM 0 HG1 THR A 465 67.949 7.725 7.127 1.00 0.00 H new ATOM 0 HG21 THR A 465 65.605 7.882 6.562 1.00 0.00 H new ATOM 0 HG22 THR A 465 64.487 6.923 7.561 1.00 0.00 H new ATOM 0 HG23 THR A 465 65.296 8.350 8.251 1.00 0.00 H new ATOM 903 N LEU A 466 65.759 3.775 8.992 1.00 0.00 N ATOM 904 CA LEU A 466 64.845 2.597 8.944 1.00 0.00 C ATOM 905 C LEU A 466 64.361 2.273 10.358 1.00 0.00 C ATOM 906 O LEU A 466 63.209 1.951 10.572 1.00 0.00 O ATOM 907 CB LEU A 466 65.691 1.451 8.385 1.00 0.00 C ATOM 908 CG LEU A 466 64.843 0.606 7.434 1.00 0.00 C ATOM 909 CD1 LEU A 466 65.726 -0.447 6.759 1.00 0.00 C ATOM 910 CD2 LEU A 466 63.734 -0.092 8.226 1.00 0.00 C ATOM 0 H LEU A 466 66.719 3.593 8.701 1.00 0.00 H new ATOM 0 HA LEU A 466 63.963 2.775 8.329 1.00 0.00 H new ATOM 0 HB2 LEU A 466 66.559 1.849 7.859 1.00 0.00 H new ATOM 0 HB3 LEU A 466 66.068 0.833 9.200 1.00 0.00 H new ATOM 0 HG LEU A 466 64.400 1.249 6.674 1.00 0.00 H new ATOM 0 HD11 LEU A 466 65.121 -1.049 6.081 1.00 0.00 H new ATOM 0 HD12 LEU A 466 66.517 0.048 6.196 1.00 0.00 H new ATOM 0 HD13 LEU A 466 66.169 -1.091 7.518 1.00 0.00 H new ATOM 0 HD21 LEU A 466 63.128 -0.695 7.550 1.00 0.00 H new ATOM 0 HD22 LEU A 466 64.179 -0.735 8.986 1.00 0.00 H new ATOM 0 HD23 LEU A 466 63.104 0.656 8.707 1.00 0.00 H new ATOM 922 N ILE A 467 65.229 2.380 11.331 1.00 0.00 N ATOM 923 CA ILE A 467 64.809 2.102 12.732 1.00 0.00 C ATOM 924 C ILE A 467 63.816 3.178 13.160 1.00 0.00 C ATOM 925 O ILE A 467 62.747 2.898 13.669 1.00 0.00 O ATOM 926 CB ILE A 467 66.105 2.164 13.567 1.00 0.00 C ATOM 927 CG1 ILE A 467 66.168 0.945 14.491 1.00 0.00 C ATOM 928 CG2 ILE A 467 66.156 3.446 14.419 1.00 0.00 C ATOM 929 CD1 ILE A 467 67.565 0.838 15.104 1.00 0.00 C ATOM 0 H ILE A 467 66.206 2.647 11.214 1.00 0.00 H new ATOM 0 HA ILE A 467 64.321 1.135 12.856 1.00 0.00 H new ATOM 0 HB ILE A 467 66.954 2.168 12.884 1.00 0.00 H new ATOM 0 HG12 ILE A 467 65.420 1.034 15.279 1.00 0.00 H new ATOM 0 HG13 ILE A 467 65.935 0.039 13.931 1.00 0.00 H new ATOM 0 HG21 ILE A 467 67.080 3.462 14.997 1.00 0.00 H new ATOM 0 HG22 ILE A 467 66.120 4.318 13.766 1.00 0.00 H new ATOM 0 HG23 ILE A 467 65.303 3.466 15.098 1.00 0.00 H new ATOM 0 HD11 ILE A 467 67.608 -0.030 15.762 1.00 0.00 H new ATOM 0 HD12 ILE A 467 68.303 0.729 14.310 1.00 0.00 H new ATOM 0 HD13 ILE A 467 67.780 1.739 15.678 1.00 0.00 H new ATOM 941 N HIS A 468 64.174 4.413 12.943 1.00 0.00 N ATOM 942 CA HIS A 468 63.278 5.534 13.316 1.00 0.00 C ATOM 943 C HIS A 468 61.926 5.343 12.629 1.00 0.00 C ATOM 944 O HIS A 468 60.881 5.467 13.237 1.00 0.00 O ATOM 945 CB HIS A 468 64.002 6.783 12.797 1.00 0.00 C ATOM 946 CG HIS A 468 63.108 7.980 12.928 1.00 0.00 C ATOM 947 ND1 HIS A 468 61.864 8.229 12.429 1.00 0.00 N flip ATOM 948 CD2 HIS A 468 63.468 9.111 13.643 1.00 0.00 C flip ATOM 949 CE1 HIS A 468 61.442 9.496 12.821 1.00 0.00 C flip ATOM 950 NE2 HIS A 468 62.448 9.986 13.552 1.00 0.00 N flip ATOM 0 H HIS A 468 65.059 4.692 12.519 1.00 0.00 H new ATOM 0 HA HIS A 468 63.081 5.603 14.386 1.00 0.00 H new ATOM 0 HB2 HIS A 468 64.922 6.941 13.360 1.00 0.00 H new ATOM 0 HB3 HIS A 468 64.287 6.643 11.754 1.00 0.00 H new ATOM 0 HD2 HIS A 468 64.395 9.263 14.175 1.00 0.00 H new ATOM 0 HE1 HIS A 468 60.505 9.979 12.586 1.00 0.00 H new ATOM 0 HE2 HIS A 468 62.444 10.909 13.987 1.00 0.00 H new ATOM 958 N LEU A 469 61.949 5.033 11.364 1.00 0.00 N ATOM 959 CA LEU A 469 60.677 4.822 10.617 1.00 0.00 C ATOM 960 C LEU A 469 59.929 3.611 11.185 1.00 0.00 C ATOM 961 O LEU A 469 58.734 3.473 11.011 1.00 0.00 O ATOM 962 CB LEU A 469 61.110 4.568 9.172 1.00 0.00 C ATOM 963 CG LEU A 469 60.902 5.841 8.351 1.00 0.00 C ATOM 964 CD1 LEU A 469 61.597 5.695 6.996 1.00 0.00 C ATOM 965 CD2 LEU A 469 59.404 6.069 8.136 1.00 0.00 C ATOM 0 H LEU A 469 62.798 4.916 10.812 1.00 0.00 H new ATOM 0 HA LEU A 469 60.000 5.673 10.693 1.00 0.00 H new ATOM 0 HB2 LEU A 469 62.158 4.269 9.141 1.00 0.00 H new ATOM 0 HB3 LEU A 469 60.532 3.748 8.746 1.00 0.00 H new ATOM 0 HG LEU A 469 61.326 6.691 8.885 1.00 0.00 H new ATOM 0 HD11 LEU A 469 61.448 6.603 6.411 1.00 0.00 H new ATOM 0 HD12 LEU A 469 62.664 5.533 7.150 1.00 0.00 H new ATOM 0 HD13 LEU A 469 61.175 4.845 6.460 1.00 0.00 H new ATOM 0 HD21 LEU A 469 59.254 6.976 7.551 1.00 0.00 H new ATOM 0 HD22 LEU A 469 58.979 5.219 7.602 1.00 0.00 H new ATOM 0 HD23 LEU A 469 58.910 6.175 9.102 1.00 0.00 H new ATOM 977 N SER A 470 60.623 2.736 11.866 1.00 0.00 N ATOM 978 CA SER A 470 59.949 1.539 12.448 1.00 0.00 C ATOM 979 C SER A 470 59.544 1.809 13.904 1.00 0.00 C ATOM 980 O SER A 470 59.144 0.911 14.618 1.00 0.00 O ATOM 981 CB SER A 470 60.993 0.425 12.380 1.00 0.00 C ATOM 982 OG SER A 470 60.345 -0.809 12.104 1.00 0.00 O ATOM 0 H SER A 470 61.625 2.799 12.044 1.00 0.00 H new ATOM 0 HA SER A 470 59.037 1.278 11.910 1.00 0.00 H new ATOM 0 HB2 SER A 470 61.727 0.645 11.605 1.00 0.00 H new ATOM 0 HB3 SER A 470 61.536 0.361 13.323 1.00 0.00 H new ATOM 0 HG SER A 470 61.012 -1.526 12.058 1.00 0.00 H new ATOM 988 N GLU A 471 59.648 3.035 14.349 1.00 0.00 N ATOM 989 CA GLU A 471 59.272 3.353 15.758 1.00 0.00 C ATOM 990 C GLU A 471 57.763 3.596 15.869 1.00 0.00 C ATOM 991 O GLU A 471 57.170 3.390 16.909 1.00 0.00 O ATOM 992 CB GLU A 471 60.047 4.627 16.097 1.00 0.00 C ATOM 993 CG GLU A 471 60.416 4.620 17.582 1.00 0.00 C ATOM 994 CD GLU A 471 60.725 6.047 18.039 1.00 0.00 C ATOM 995 OE1 GLU A 471 60.022 6.949 17.615 1.00 0.00 O ATOM 996 OE2 GLU A 471 61.659 6.214 18.806 1.00 0.00 O ATOM 0 H GLU A 471 59.977 3.828 13.798 1.00 0.00 H new ATOM 0 HA GLU A 471 59.509 2.536 16.440 1.00 0.00 H new ATOM 0 HB2 GLU A 471 60.949 4.690 15.488 1.00 0.00 H new ATOM 0 HB3 GLU A 471 59.444 5.505 15.865 1.00 0.00 H new ATOM 0 HG2 GLU A 471 59.595 4.209 18.169 1.00 0.00 H new ATOM 0 HG3 GLU A 471 61.281 3.978 17.749 1.00 0.00 H new ATOM 1003 N GLY A 472 57.139 4.032 14.807 1.00 0.00 N ATOM 1004 CA GLY A 472 55.670 4.288 14.858 1.00 0.00 C ATOM 1005 C GLY A 472 55.192 4.838 13.513 1.00 0.00 C ATOM 1006 O GLY A 472 55.774 4.568 12.480 1.00 0.00 O ATOM 0 H GLY A 472 57.582 4.222 13.908 1.00 0.00 H new ATOM 0 HA2 GLY A 472 55.139 3.366 15.093 1.00 0.00 H new ATOM 0 HA3 GLY A 472 55.443 4.998 15.653 1.00 0.00 H new ATOM 1010 N SER A 473 54.135 5.607 13.519 1.00 0.00 N ATOM 1011 CA SER A 473 53.613 6.175 12.241 1.00 0.00 C ATOM 1012 C SER A 473 54.371 7.456 11.880 1.00 0.00 C ATOM 1013 O SER A 473 55.005 8.071 12.716 1.00 0.00 O ATOM 1014 CB SER A 473 52.142 6.483 12.516 1.00 0.00 C ATOM 1015 OG SER A 473 51.496 5.307 12.985 1.00 0.00 O ATOM 0 H SER A 473 53.610 5.866 14.354 1.00 0.00 H new ATOM 0 HA SER A 473 53.737 5.488 11.404 1.00 0.00 H new ATOM 0 HB2 SER A 473 52.057 7.278 13.257 1.00 0.00 H new ATOM 0 HB3 SER A 473 51.657 6.840 11.607 1.00 0.00 H new ATOM 0 HG SER A 473 50.552 5.501 13.164 1.00 0.00 H new ATOM 1021 N ASN A 474 54.307 7.861 10.640 1.00 0.00 N ATOM 1022 CA ASN A 474 55.021 9.103 10.216 1.00 0.00 C ATOM 1023 C ASN A 474 54.615 9.484 8.789 1.00 0.00 C ATOM 1024 O ASN A 474 54.339 8.633 7.966 1.00 0.00 O ATOM 1025 CB ASN A 474 56.515 8.760 10.277 1.00 0.00 C ATOM 1026 CG ASN A 474 56.769 7.392 9.636 1.00 0.00 C ATOM 1027 OD1 ASN A 474 56.589 7.240 8.352 1.00 0.00 O flip ATOM 1028 ND2 ASN A 474 57.135 6.451 10.311 1.00 0.00 N flip ATOM 0 H ASN A 474 53.790 7.385 9.900 1.00 0.00 H new ATOM 0 HA ASN A 474 54.778 9.951 10.856 1.00 0.00 H new ATOM 0 HB2 ASN A 474 57.093 9.526 9.759 1.00 0.00 H new ATOM 0 HB3 ASN A 474 56.852 8.753 11.314 1.00 0.00 H new ATOM 0 HD21 ASN A 474 57.276 6.568 11.314 1.00 0.00 H new ATOM 0 HD22 ASN A 474 57.301 5.544 9.874 1.00 0.00 H new ATOM 1035 N LYS A 475 54.574 10.755 8.492 1.00 0.00 N ATOM 1036 CA LYS A 475 54.184 11.191 7.119 1.00 0.00 C ATOM 1037 C LYS A 475 55.346 10.980 6.140 1.00 0.00 C ATOM 1038 O LYS A 475 55.869 11.919 5.573 1.00 0.00 O ATOM 1039 CB LYS A 475 53.847 12.680 7.250 1.00 0.00 C ATOM 1040 CG LYS A 475 55.090 13.462 7.686 1.00 0.00 C ATOM 1041 CD LYS A 475 54.673 14.632 8.579 1.00 0.00 C ATOM 1042 CE LYS A 475 54.178 14.097 9.925 1.00 0.00 C ATOM 1043 NZ LYS A 475 53.075 15.017 10.321 1.00 0.00 N ATOM 0 H LYS A 475 54.794 11.511 9.141 1.00 0.00 H new ATOM 0 HA LYS A 475 53.341 10.619 6.731 1.00 0.00 H new ATOM 0 HB2 LYS A 475 53.481 13.064 6.298 1.00 0.00 H new ATOM 0 HB3 LYS A 475 53.047 12.818 7.977 1.00 0.00 H new ATOM 0 HG2 LYS A 475 55.774 12.806 8.224 1.00 0.00 H new ATOM 0 HG3 LYS A 475 55.625 13.832 6.811 1.00 0.00 H new ATOM 0 HD2 LYS A 475 55.516 15.305 8.731 1.00 0.00 H new ATOM 0 HD3 LYS A 475 53.887 15.211 8.094 1.00 0.00 H new ATOM 0 HE2 LYS A 475 53.823 13.070 9.836 1.00 0.00 H new ATOM 0 HE3 LYS A 475 54.976 14.095 10.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 52.683 14.716 11.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 53.444 15.986 10.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 52.327 14.993 9.599 1.00 0.00 H new ATOM 1057 N TYR A 476 55.749 9.755 5.938 1.00 0.00 N ATOM 1058 CA TYR A 476 56.874 9.482 4.996 1.00 0.00 C ATOM 1059 C TYR A 476 56.329 9.160 3.601 1.00 0.00 C ATOM 1060 O TYR A 476 55.388 8.406 3.451 1.00 0.00 O ATOM 1061 CB TYR A 476 57.600 8.272 5.582 1.00 0.00 C ATOM 1062 CG TYR A 476 58.910 8.077 4.858 1.00 0.00 C ATOM 1063 CD1 TYR A 476 58.917 7.614 3.538 1.00 0.00 C ATOM 1064 CD2 TYR A 476 60.117 8.364 5.506 1.00 0.00 C ATOM 1065 CE1 TYR A 476 60.131 7.436 2.865 1.00 0.00 C ATOM 1066 CE2 TYR A 476 61.332 8.185 4.834 1.00 0.00 C ATOM 1067 CZ TYR A 476 61.338 7.721 3.513 1.00 0.00 C ATOM 1068 OH TYR A 476 62.535 7.546 2.849 1.00 0.00 O ATOM 0 H TYR A 476 55.348 8.930 6.385 1.00 0.00 H new ATOM 0 HA TYR A 476 57.538 10.339 4.887 1.00 0.00 H new ATOM 0 HB2 TYR A 476 57.779 8.421 6.647 1.00 0.00 H new ATOM 0 HB3 TYR A 476 56.981 7.380 5.485 1.00 0.00 H new ATOM 0 HD1 TYR A 476 57.985 7.394 3.038 1.00 0.00 H new ATOM 0 HD2 TYR A 476 60.111 8.724 6.524 1.00 0.00 H new ATOM 0 HE1 TYR A 476 60.136 7.079 1.846 1.00 0.00 H new ATOM 0 HE2 TYR A 476 62.264 8.405 5.334 1.00 0.00 H new ATOM 0 HH TYR A 476 62.401 7.692 1.889 1.00 0.00 H new ATOM 1078 N TYR A 477 56.916 9.730 2.582 1.00 0.00 N ATOM 1079 CA TYR A 477 56.435 9.461 1.195 1.00 0.00 C ATOM 1080 C TYR A 477 57.541 8.791 0.373 1.00 0.00 C ATOM 1081 O TYR A 477 58.630 8.554 0.858 1.00 0.00 O ATOM 1082 CB TYR A 477 56.096 10.837 0.621 1.00 0.00 C ATOM 1083 CG TYR A 477 54.968 11.449 1.416 1.00 0.00 C ATOM 1084 CD1 TYR A 477 53.641 11.107 1.128 1.00 0.00 C ATOM 1085 CD2 TYR A 477 55.249 12.360 2.442 1.00 0.00 C ATOM 1086 CE1 TYR A 477 52.596 11.674 1.865 1.00 0.00 C ATOM 1087 CE2 TYR A 477 54.202 12.928 3.179 1.00 0.00 C ATOM 1088 CZ TYR A 477 52.876 12.585 2.892 1.00 0.00 C ATOM 1089 OH TYR A 477 51.845 13.145 3.618 1.00 0.00 O ATOM 0 H TYR A 477 57.707 10.370 2.650 1.00 0.00 H new ATOM 0 HA TYR A 477 55.576 8.790 1.177 1.00 0.00 H new ATOM 0 HB2 TYR A 477 56.973 11.484 0.656 1.00 0.00 H new ATOM 0 HB3 TYR A 477 55.809 10.745 -0.427 1.00 0.00 H new ATOM 0 HD1 TYR A 477 53.424 10.405 0.336 1.00 0.00 H new ATOM 0 HD2 TYR A 477 56.272 12.624 2.665 1.00 0.00 H new ATOM 0 HE1 TYR A 477 51.573 11.409 1.642 1.00 0.00 H new ATOM 0 HE2 TYR A 477 54.418 13.631 3.970 1.00 0.00 H new ATOM 0 HH TYR A 477 52.213 13.754 4.292 1.00 0.00 H new ATOM 1099 N CYS A 478 57.269 8.486 -0.868 1.00 0.00 N ATOM 1100 CA CYS A 478 58.303 7.834 -1.723 1.00 0.00 C ATOM 1101 C CYS A 478 59.045 8.895 -2.547 1.00 0.00 C ATOM 1102 O CYS A 478 58.971 10.074 -2.261 1.00 0.00 O ATOM 1103 CB CYS A 478 57.521 6.858 -2.620 1.00 0.00 C ATOM 1104 SG CYS A 478 56.857 7.719 -4.069 1.00 0.00 S ATOM 0 H CYS A 478 56.375 8.660 -1.327 1.00 0.00 H new ATOM 0 HA CYS A 478 59.064 7.310 -1.144 1.00 0.00 H new ATOM 0 HB2 CYS A 478 58.174 6.046 -2.940 1.00 0.00 H new ATOM 0 HB3 CYS A 478 56.707 6.407 -2.053 1.00 0.00 H new ATOM 0 HG CYS A 478 55.571 7.536 -4.131 1.00 0.00 H new ATOM 1109 N ASN A 479 59.758 8.487 -3.563 1.00 0.00 N ATOM 1110 CA ASN A 479 60.502 9.477 -4.398 1.00 0.00 C ATOM 1111 C ASN A 479 59.548 10.197 -5.358 1.00 0.00 C ATOM 1112 O ASN A 479 59.615 11.399 -5.526 1.00 0.00 O ATOM 1113 CB ASN A 479 61.521 8.649 -5.182 1.00 0.00 C ATOM 1114 CG ASN A 479 62.478 9.586 -5.922 1.00 0.00 C ATOM 1115 OD1 ASN A 479 62.276 9.887 -7.082 1.00 0.00 O ATOM 1116 ND2 ASN A 479 63.519 10.063 -5.296 1.00 0.00 N ATOM 0 H ASN A 479 59.858 7.514 -3.851 1.00 0.00 H new ATOM 0 HA ASN A 479 60.978 10.247 -3.790 1.00 0.00 H new ATOM 0 HB2 ASN A 479 62.079 8.003 -4.504 1.00 0.00 H new ATOM 0 HB3 ASN A 479 61.009 8.000 -5.892 1.00 0.00 H new ATOM 0 HD21 ASN A 479 64.163 10.688 -5.780 1.00 0.00 H new ATOM 0 HD22 ASN A 479 63.689 9.810 -4.322 1.00 0.00 H new ATOM 1123 N GLU A 480 58.667 9.471 -5.994 1.00 0.00 N ATOM 1124 CA GLU A 480 57.715 10.111 -6.951 1.00 0.00 C ATOM 1125 C GLU A 480 56.515 10.724 -6.215 1.00 0.00 C ATOM 1126 O GLU A 480 55.592 11.220 -6.832 1.00 0.00 O ATOM 1127 CB GLU A 480 57.254 8.976 -7.866 1.00 0.00 C ATOM 1128 CG GLU A 480 57.124 9.494 -9.300 1.00 0.00 C ATOM 1129 CD GLU A 480 56.377 8.464 -10.149 1.00 0.00 C ATOM 1130 OE1 GLU A 480 56.892 7.370 -10.306 1.00 0.00 O ATOM 1131 OE2 GLU A 480 55.303 8.788 -10.628 1.00 0.00 O ATOM 0 H GLU A 480 58.565 8.461 -5.892 1.00 0.00 H new ATOM 0 HA GLU A 480 58.186 10.925 -7.502 1.00 0.00 H new ATOM 0 HB2 GLU A 480 57.968 8.153 -7.829 1.00 0.00 H new ATOM 0 HB3 GLU A 480 56.297 8.584 -7.522 1.00 0.00 H new ATOM 0 HG2 GLU A 480 56.589 10.444 -9.308 1.00 0.00 H new ATOM 0 HG3 GLU A 480 58.112 9.681 -9.721 1.00 0.00 H new ATOM 1138 N HIS A 481 56.515 10.701 -4.907 1.00 0.00 N ATOM 1139 CA HIS A 481 55.371 11.288 -4.150 1.00 0.00 C ATOM 1140 C HIS A 481 55.891 12.150 -2.996 1.00 0.00 C ATOM 1141 O HIS A 481 55.259 12.268 -1.965 1.00 0.00 O ATOM 1142 CB HIS A 481 54.589 10.088 -3.612 1.00 0.00 C ATOM 1143 CG HIS A 481 54.085 9.252 -4.759 1.00 0.00 C ATOM 1144 ND1 HIS A 481 54.152 7.853 -4.749 1.00 0.00 N ATOM 1145 CD2 HIS A 481 53.506 9.592 -5.962 1.00 0.00 C ATOM 1146 CE1 HIS A 481 53.632 7.410 -5.911 1.00 0.00 C ATOM 1147 NE2 HIS A 481 53.236 8.430 -6.656 1.00 0.00 N ATOM 0 H HIS A 481 57.257 10.302 -4.332 1.00 0.00 H new ATOM 0 HA HIS A 481 54.750 11.930 -4.774 1.00 0.00 H new ATOM 0 HB2 HIS A 481 55.227 9.487 -2.965 1.00 0.00 H new ATOM 0 HB3 HIS A 481 53.752 10.431 -3.004 1.00 0.00 H new ATOM 0 HD2 HIS A 481 53.299 10.595 -6.303 1.00 0.00 H new ATOM 0 HE1 HIS A 481 53.550 6.371 -6.194 1.00 0.00 H new ATOM 0 HE2 HIS A 481 52.807 8.368 -7.579 1.00 0.00 H new ATOM 1155 N VAL A 482 57.038 12.751 -3.164 1.00 0.00 N ATOM 1156 CA VAL A 482 57.601 13.605 -2.075 1.00 0.00 C ATOM 1157 C VAL A 482 57.319 15.079 -2.360 1.00 0.00 C ATOM 1158 O VAL A 482 57.155 15.880 -1.459 1.00 0.00 O ATOM 1159 CB VAL A 482 59.107 13.323 -2.086 1.00 0.00 C ATOM 1160 CG1 VAL A 482 59.734 13.839 -3.384 1.00 0.00 C ATOM 1161 CG2 VAL A 482 59.762 14.021 -0.892 1.00 0.00 C ATOM 0 H VAL A 482 57.610 12.689 -4.006 1.00 0.00 H new ATOM 0 HA VAL A 482 57.157 13.385 -1.104 1.00 0.00 H new ATOM 0 HB VAL A 482 59.267 12.247 -2.020 1.00 0.00 H new ATOM 0 HG11 VAL A 482 60.804 13.632 -3.378 1.00 0.00 H new ATOM 0 HG12 VAL A 482 59.272 13.339 -4.235 1.00 0.00 H new ATOM 0 HG13 VAL A 482 59.573 14.914 -3.464 1.00 0.00 H new ATOM 0 HG21 VAL A 482 60.834 13.822 -0.897 1.00 0.00 H new ATOM 0 HG22 VAL A 482 59.592 15.095 -0.961 1.00 0.00 H new ATOM 0 HG23 VAL A 482 59.327 13.643 0.034 1.00 0.00 H new ATOM 1171 N GLN A 483 57.263 15.435 -3.607 1.00 0.00 N ATOM 1172 CA GLN A 483 56.992 16.855 -3.976 1.00 0.00 C ATOM 1173 C GLN A 483 55.591 16.984 -4.579 1.00 0.00 C ATOM 1174 O GLN A 483 55.424 17.029 -5.782 1.00 0.00 O ATOM 1175 CB GLN A 483 58.060 17.207 -5.014 1.00 0.00 C ATOM 1176 CG GLN A 483 59.128 18.095 -4.372 1.00 0.00 C ATOM 1177 CD GLN A 483 60.277 17.225 -3.863 1.00 0.00 C ATOM 1178 OE1 GLN A 483 60.949 16.571 -4.637 1.00 0.00 O ATOM 1179 NE2 GLN A 483 60.534 17.186 -2.584 1.00 0.00 N ATOM 0 H GLN A 483 57.394 14.802 -4.396 1.00 0.00 H new ATOM 0 HA GLN A 483 57.029 17.521 -3.114 1.00 0.00 H new ATOM 0 HB2 GLN A 483 58.516 16.297 -5.404 1.00 0.00 H new ATOM 0 HB3 GLN A 483 57.604 17.723 -5.859 1.00 0.00 H new ATOM 0 HG2 GLN A 483 59.499 18.818 -5.098 1.00 0.00 H new ATOM 0 HG3 GLN A 483 58.696 18.664 -3.548 1.00 0.00 H new ATOM 0 HE21 GLN A 483 59.971 17.734 -1.934 1.00 0.00 H new ATOM 0 HE22 GLN A 483 61.298 16.607 -2.235 1.00 0.00 H new