USER MOD reduce.3.24.130724 H: found=0, std=0, add=1021, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1022 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 497 CYS SG : rot -7:sc= 0.58 USER MOD Set 1.2: A 499 HIS : no HE2:sc= -2.29 X(o=-1.7,f=-2.1!) USER MOD Set 2.1: A 430 GLN : amide:sc= 0.786 K(o=1.6,f=-1.2) USER MOD Set 2.2: A 432 TYR OH : rot 80:sc= 0.598 USER MOD Set 2.3: A 474 HIS : no HD1:sc= 0.19 K(o=1.6,f=-1.2) USER MOD Single : A 398 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 403 SER OG : rot 31:sc= 1.26 USER MOD Single : A 426 SER OG : rot 180:sc= 0 USER MOD Single : A 429 CYS SG : rot -22:sc= 0.517 USER MOD Single : A 434 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 435 HIS : no HD1:sc= -2.57! X(o=-2.6!,f=-2.3) USER MOD Single : A 438 ASN : amide:sc= -0.322 X(o=-0.32,f=-0.37) USER MOD Single : A 440 LYS NZ :NH3+ 151:sc= 1.23 (180deg=-0.0761) USER MOD Single : A 441 THR OG1 : rot -169:sc= 0.915 USER MOD Single : A 443 GLN : amide:sc= -0.24 K(o=-0.24,f=-0.87) USER MOD Single : A 446 GLN : amide:sc=-0.00685 K(o=-0.0068,f=-1.2) USER MOD Single : A 447 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 450 MET CE :methyl 169:sc= -0.278 (180deg=-0.645) USER MOD Single : A 451 GLN : amide:sc= -0.418 X(o=-0.42,f=-0.42) USER MOD Single : A 455 GLN : amide:sc= -0.922! K(o=-0.92!,f=-0.047) USER MOD Single : A 456 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 459 THR OG1 : rot -90:sc= 0.243 USER MOD Single : A 460 THR OG1 : rot 180:sc= 0.00533 USER MOD Single : A 467 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 468 SER OG : rot -150:sc= -0.543 USER MOD Single : A 470 MET CE :methyl -155:sc= -0.22 (180deg=-0.833) USER MOD Single : A 472 GLN : amide:sc= -0.0142 K(o=-0.014,f=-1.2) USER MOD Single : A 482 SER OG : rot -163:sc= 0.808 USER MOD Single : A 484 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 487 TYR OH : rot 180:sc= 0 USER MOD Single : A 490 MET CE :methyl -124:sc= -0.0622 (180deg=-0.0995) USER MOD Single : A 492 ASN : amide:sc= 0.0164 X(o=0.016,f=0) USER MOD Single : A 512 MET CE :methyl -167:sc= -1.45 (180deg=-1.88) USER MOD Single : A 515 TYR OH : rot -112:sc= 0.335 USER MOD Single : A 516 SER OG : rot 180:sc= 0 USER MOD Single : A 517 SER OG : rot -51:sc= 0.356 USER MOD Single : A 518 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 519 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 520 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 523 MET CE :methyl -161:sc= -0.103 (180deg=-0.6) USER MOD Single : A 528 TYR OH : rot 172:sc= 0.342 USER MOD Single : A 530 GLN : amide:sc= 0.994 K(o=0.99,f=-5.7!) USER MOD Single : A 531 SER OG : rot 180:sc= 0 USER MOD Single : A 535 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 539 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 542 THR OG1 : rot 72:sc= 1.23 USER MOD Single : A 543 ASN : amide:sc=-0.00935 K(o=-0.0093,f=-0.91) USER MOD ----------------------------------------------------------------- ATOM 72 N LYS A 398 18.567 2.888 3.454 1.00 0.00 N ATOM 73 CA LYS A 398 17.516 2.409 2.617 1.00 0.00 C ATOM 74 C LYS A 398 17.995 2.300 1.181 1.00 0.00 C ATOM 75 O LYS A 398 18.643 3.212 0.647 1.00 0.00 O ATOM 76 CB LYS A 398 16.162 3.159 2.813 1.00 0.00 C ATOM 77 CG LYS A 398 16.249 4.663 3.043 1.00 0.00 C ATOM 78 CD LYS A 398 16.797 5.421 1.862 1.00 0.00 C ATOM 79 CE LYS A 398 17.020 6.854 2.243 1.00 0.00 C ATOM 80 NZ LYS A 398 17.627 7.647 1.159 1.00 0.00 N ATOM 0 HA LYS A 398 17.265 1.397 2.935 1.00 0.00 H new ATOM 0 HB2 LYS A 398 15.543 2.983 1.933 1.00 0.00 H new ATOM 0 HB3 LYS A 398 15.644 2.713 3.662 1.00 0.00 H new ATOM 0 HG2 LYS A 398 15.256 5.044 3.280 1.00 0.00 H new ATOM 0 HG3 LYS A 398 16.879 4.854 3.911 1.00 0.00 H new ATOM 0 HD2 LYS A 398 17.734 4.972 1.532 1.00 0.00 H new ATOM 0 HD3 LYS A 398 16.102 5.361 1.024 1.00 0.00 H new ATOM 0 HE2 LYS A 398 16.067 7.302 2.525 1.00 0.00 H new ATOM 0 HE3 LYS A 398 17.664 6.895 3.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 398 17.758 8.628 1.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 398 18.550 7.239 0.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 398 17.002 7.634 0.328 1.00 0.00 H new ATOM 94 N LEU A 399 17.711 1.185 0.589 1.00 0.00 N ATOM 95 CA LEU A 399 18.210 0.817 -0.713 1.00 0.00 C ATOM 96 C LEU A 399 17.176 1.197 -1.761 1.00 0.00 C ATOM 97 O LEU A 399 16.010 0.914 -1.579 1.00 0.00 O ATOM 98 CB LEU A 399 18.463 -0.720 -0.776 1.00 0.00 C ATOM 99 CG LEU A 399 19.383 -1.377 0.289 1.00 0.00 C ATOM 100 CD1 LEU A 399 18.698 -1.509 1.625 1.00 0.00 C ATOM 101 CD2 LEU A 399 19.847 -2.724 -0.177 1.00 0.00 C ATOM 0 H LEU A 399 17.106 0.477 1.005 1.00 0.00 H new ATOM 0 HA LEU A 399 19.148 1.339 -0.901 1.00 0.00 H new ATOM 0 HB2 LEU A 399 17.493 -1.215 -0.724 1.00 0.00 H new ATOM 0 HB3 LEU A 399 18.883 -0.944 -1.757 1.00 0.00 H new ATOM 0 HG LEU A 399 20.243 -0.720 0.418 1.00 0.00 H new ATOM 0 HD11 LEU A 399 19.379 -1.973 2.339 1.00 0.00 H new ATOM 0 HD12 LEU A 399 18.412 -0.521 1.986 1.00 0.00 H new ATOM 0 HD13 LEU A 399 17.807 -2.128 1.518 1.00 0.00 H new ATOM 0 HD21 LEU A 399 20.490 -3.170 0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 399 18.984 -3.368 -0.345 1.00 0.00 H new ATOM 0 HD23 LEU A 399 20.405 -2.615 -1.107 1.00 0.00 H new ATOM 113 N LEU A 400 17.584 1.842 -2.832 1.00 0.00 N ATOM 114 CA LEU A 400 16.643 2.230 -3.877 1.00 0.00 C ATOM 115 C LEU A 400 16.222 0.966 -4.625 1.00 0.00 C ATOM 116 O LEU A 400 17.053 0.271 -5.213 1.00 0.00 O ATOM 117 CB LEU A 400 17.291 3.266 -4.821 1.00 0.00 C ATOM 118 CG LEU A 400 16.345 4.259 -5.542 1.00 0.00 C ATOM 119 CD1 LEU A 400 17.140 5.224 -6.398 1.00 0.00 C ATOM 120 CD2 LEU A 400 15.290 3.556 -6.381 1.00 0.00 C ATOM 0 H LEU A 400 18.552 2.110 -3.008 1.00 0.00 H new ATOM 0 HA LEU A 400 15.760 2.703 -3.447 1.00 0.00 H new ATOM 0 HB2 LEU A 400 18.011 3.845 -4.243 1.00 0.00 H new ATOM 0 HB3 LEU A 400 17.854 2.724 -5.581 1.00 0.00 H new ATOM 0 HG LEU A 400 15.819 4.815 -4.766 1.00 0.00 H new ATOM 0 HD11 LEU A 400 16.459 5.914 -6.897 1.00 0.00 H new ATOM 0 HD12 LEU A 400 17.829 5.786 -5.768 1.00 0.00 H new ATOM 0 HD13 LEU A 400 17.704 4.667 -7.146 1.00 0.00 H new ATOM 0 HD21 LEU A 400 14.655 4.299 -6.864 1.00 0.00 H new ATOM 0 HD22 LEU A 400 15.777 2.946 -7.142 1.00 0.00 H new ATOM 0 HD23 LEU A 400 14.681 2.919 -5.740 1.00 0.00 H new ATOM 132 N ALA A 401 14.945 0.665 -4.591 1.00 0.00 N ATOM 133 CA ALA A 401 14.470 -0.584 -5.126 1.00 0.00 C ATOM 134 C ALA A 401 13.601 -0.432 -6.364 1.00 0.00 C ATOM 135 O ALA A 401 13.863 -1.069 -7.393 1.00 0.00 O ATOM 136 CB ALA A 401 13.712 -1.336 -4.056 1.00 0.00 C ATOM 0 H ALA A 401 14.221 1.267 -4.200 1.00 0.00 H new ATOM 0 HA ALA A 401 15.352 -1.142 -5.441 1.00 0.00 H new ATOM 0 HB1 ALA A 401 13.352 -2.282 -4.461 1.00 0.00 H new ATOM 0 HB2 ALA A 401 14.373 -1.531 -3.211 1.00 0.00 H new ATOM 0 HB3 ALA A 401 12.864 -0.738 -3.723 1.00 0.00 H new ATOM 142 N TRP A 402 12.575 0.389 -6.286 1.00 0.00 N ATOM 143 CA TRP A 402 11.600 0.452 -7.359 1.00 0.00 C ATOM 144 C TRP A 402 10.910 1.795 -7.394 1.00 0.00 C ATOM 145 O TRP A 402 10.806 2.463 -6.392 1.00 0.00 O ATOM 146 CB TRP A 402 10.574 -0.687 -7.153 1.00 0.00 C ATOM 147 CG TRP A 402 9.428 -0.740 -8.121 1.00 0.00 C ATOM 148 CD1 TRP A 402 9.458 -1.140 -9.425 1.00 0.00 C ATOM 149 CD2 TRP A 402 8.069 -0.413 -7.833 1.00 0.00 C ATOM 150 NE1 TRP A 402 8.200 -1.059 -9.964 1.00 0.00 N ATOM 151 CE2 TRP A 402 7.330 -0.620 -9.006 1.00 0.00 C ATOM 152 CE3 TRP A 402 7.411 0.038 -6.696 1.00 0.00 C ATOM 153 CZ2 TRP A 402 5.958 -0.388 -9.071 1.00 0.00 C ATOM 154 CZ3 TRP A 402 6.057 0.267 -6.757 1.00 0.00 C ATOM 155 CH2 TRP A 402 5.341 0.054 -7.937 1.00 0.00 C ATOM 0 H TRP A 402 12.394 1.016 -5.502 1.00 0.00 H new ATOM 0 HA TRP A 402 12.106 0.329 -8.317 1.00 0.00 H new ATOM 0 HB2 TRP A 402 11.105 -1.637 -7.201 1.00 0.00 H new ATOM 0 HB3 TRP A 402 10.166 -0.601 -6.146 1.00 0.00 H new ATOM 0 HD1 TRP A 402 10.340 -1.471 -9.953 1.00 0.00 H new ATOM 0 HE1 TRP A 402 7.953 -1.290 -10.926 1.00 0.00 H new ATOM 0 HE3 TRP A 402 7.955 0.206 -5.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 402 5.404 -0.552 -9.984 1.00 0.00 H new ATOM 0 HZ3 TRP A 402 5.538 0.618 -5.877 1.00 0.00 H new ATOM 0 HH2 TRP A 402 4.278 0.243 -7.952 1.00 0.00 H new ATOM 166 N SER A 403 10.514 2.204 -8.554 1.00 0.00 N ATOM 167 CA SER A 403 9.730 3.379 -8.723 1.00 0.00 C ATOM 168 C SER A 403 8.563 3.008 -9.638 1.00 0.00 C ATOM 169 O SER A 403 8.769 2.367 -10.688 1.00 0.00 O ATOM 170 CB SER A 403 10.582 4.515 -9.313 1.00 0.00 C ATOM 171 OG SER A 403 9.867 5.749 -9.349 1.00 0.00 O ATOM 0 H SER A 403 10.731 1.721 -9.426 1.00 0.00 H new ATOM 0 HA SER A 403 9.352 3.744 -7.768 1.00 0.00 H new ATOM 0 HB2 SER A 403 11.488 4.637 -8.719 1.00 0.00 H new ATOM 0 HB3 SER A 403 10.896 4.247 -10.322 1.00 0.00 H new ATOM 0 HG SER A 403 9.231 5.781 -8.604 1.00 0.00 H new ATOM 177 N GLY A 404 7.366 3.349 -9.227 1.00 0.00 N ATOM 178 CA GLY A 404 6.191 3.004 -9.976 1.00 0.00 C ATOM 179 C GLY A 404 5.026 3.844 -9.553 1.00 0.00 C ATOM 180 O GLY A 404 5.191 4.769 -8.748 1.00 0.00 O ATOM 0 H GLY A 404 7.183 3.870 -8.369 1.00 0.00 H new ATOM 0 HA2 GLY A 404 6.379 3.144 -11.041 1.00 0.00 H new ATOM 0 HA3 GLY A 404 5.957 1.950 -9.829 1.00 0.00 H new ATOM 184 N VAL A 405 3.862 3.531 -10.055 1.00 0.00 N ATOM 185 CA VAL A 405 2.675 4.307 -9.782 1.00 0.00 C ATOM 186 C VAL A 405 1.699 3.476 -8.956 1.00 0.00 C ATOM 187 O VAL A 405 1.533 2.278 -9.199 1.00 0.00 O ATOM 188 CB VAL A 405 1.984 4.757 -11.116 1.00 0.00 C ATOM 189 CG1 VAL A 405 0.766 5.637 -10.857 1.00 0.00 C ATOM 190 CG2 VAL A 405 2.973 5.477 -12.028 1.00 0.00 C ATOM 0 H VAL A 405 3.706 2.730 -10.667 1.00 0.00 H new ATOM 0 HA VAL A 405 2.965 5.198 -9.224 1.00 0.00 H new ATOM 0 HB VAL A 405 1.640 3.853 -11.618 1.00 0.00 H new ATOM 0 HG11 VAL A 405 0.317 5.926 -11.807 1.00 0.00 H new ATOM 0 HG12 VAL A 405 0.037 5.084 -10.265 1.00 0.00 H new ATOM 0 HG13 VAL A 405 1.072 6.531 -10.313 1.00 0.00 H new ATOM 0 HG21 VAL A 405 2.468 5.778 -12.946 1.00 0.00 H new ATOM 0 HG22 VAL A 405 3.360 6.360 -11.520 1.00 0.00 H new ATOM 0 HG23 VAL A 405 3.798 4.807 -12.271 1.00 0.00 H new ATOM 200 N LEU A 406 1.073 4.097 -7.992 1.00 0.00 N ATOM 201 CA LEU A 406 0.086 3.422 -7.177 1.00 0.00 C ATOM 202 C LEU A 406 -1.249 4.035 -7.439 1.00 0.00 C ATOM 203 O LEU A 406 -1.350 5.254 -7.621 1.00 0.00 O ATOM 204 CB LEU A 406 0.375 3.575 -5.676 1.00 0.00 C ATOM 205 CG LEU A 406 1.727 3.106 -5.142 1.00 0.00 C ATOM 206 CD1 LEU A 406 1.759 3.292 -3.634 1.00 0.00 C ATOM 207 CD2 LEU A 406 1.982 1.654 -5.493 1.00 0.00 C ATOM 0 H LEU A 406 1.227 5.075 -7.747 1.00 0.00 H new ATOM 0 HA LEU A 406 0.113 2.363 -7.435 1.00 0.00 H new ATOM 0 HB2 LEU A 406 0.267 4.630 -5.424 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -0.401 3.036 -5.132 1.00 0.00 H new ATOM 0 HG LEU A 406 2.512 3.703 -5.606 1.00 0.00 H new ATOM 0 HD11 LEU A 406 2.722 2.959 -3.247 1.00 0.00 H new ATOM 0 HD12 LEU A 406 1.616 4.346 -3.394 1.00 0.00 H new ATOM 0 HD13 LEU A 406 0.962 2.705 -3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 406 2.952 1.349 -5.099 1.00 0.00 H new ATOM 0 HD22 LEU A 406 1.201 1.031 -5.056 1.00 0.00 H new ATOM 0 HD23 LEU A 406 1.977 1.535 -6.576 1.00 0.00 H new ATOM 219 N GLU A 407 -2.245 3.209 -7.486 1.00 0.00 N ATOM 220 CA GLU A 407 -3.604 3.637 -7.620 1.00 0.00 C ATOM 221 C GLU A 407 -4.324 3.246 -6.367 1.00 0.00 C ATOM 222 O GLU A 407 -4.272 2.085 -5.961 1.00 0.00 O ATOM 223 CB GLU A 407 -4.249 3.025 -8.862 1.00 0.00 C ATOM 224 CG GLU A 407 -3.687 3.601 -10.143 1.00 0.00 C ATOM 225 CD GLU A 407 -4.288 3.063 -11.411 1.00 0.00 C ATOM 226 OE1 GLU A 407 -4.296 1.841 -11.631 1.00 0.00 O ATOM 227 OE2 GLU A 407 -4.733 3.878 -12.251 1.00 0.00 O ATOM 0 H GLU A 407 -2.136 2.196 -7.431 1.00 0.00 H new ATOM 0 HA GLU A 407 -3.656 4.718 -7.752 1.00 0.00 H new ATOM 0 HB2 GLU A 407 -4.096 1.946 -8.854 1.00 0.00 H new ATOM 0 HB3 GLU A 407 -5.325 3.195 -8.831 1.00 0.00 H new ATOM 0 HG2 GLU A 407 -3.825 4.682 -10.126 1.00 0.00 H new ATOM 0 HG3 GLU A 407 -2.613 3.417 -10.164 1.00 0.00 H new ATOM 234 N TRP A 408 -4.963 4.185 -5.741 1.00 0.00 N ATOM 235 CA TRP A 408 -5.565 3.919 -4.453 1.00 0.00 C ATOM 236 C TRP A 408 -7.044 4.198 -4.403 1.00 0.00 C ATOM 237 O TRP A 408 -7.515 5.277 -4.791 1.00 0.00 O ATOM 238 CB TRP A 408 -4.806 4.621 -3.311 1.00 0.00 C ATOM 239 CG TRP A 408 -4.593 6.108 -3.467 1.00 0.00 C ATOM 240 CD1 TRP A 408 -3.568 6.720 -4.129 1.00 0.00 C ATOM 241 CD2 TRP A 408 -5.401 7.161 -2.919 1.00 0.00 C ATOM 242 NE1 TRP A 408 -3.692 8.084 -4.034 1.00 0.00 N ATOM 243 CE2 TRP A 408 -4.810 8.380 -3.295 1.00 0.00 C ATOM 244 CE3 TRP A 408 -6.568 7.192 -2.150 1.00 0.00 C ATOM 245 CZ2 TRP A 408 -5.345 9.612 -2.929 1.00 0.00 C ATOM 246 CZ3 TRP A 408 -7.097 8.414 -1.788 1.00 0.00 C ATOM 247 CH2 TRP A 408 -6.485 9.608 -2.177 1.00 0.00 C ATOM 0 H TRP A 408 -5.086 5.136 -6.089 1.00 0.00 H new ATOM 0 HA TRP A 408 -5.470 2.844 -4.302 1.00 0.00 H new ATOM 0 HB2 TRP A 408 -5.349 4.448 -2.382 1.00 0.00 H new ATOM 0 HB3 TRP A 408 -3.831 4.145 -3.204 1.00 0.00 H new ATOM 0 HD1 TRP A 408 -2.775 6.206 -4.652 1.00 0.00 H new ATOM 0 HE1 TRP A 408 -3.056 8.767 -4.446 1.00 0.00 H new ATOM 0 HE3 TRP A 408 -7.048 6.274 -1.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 408 -4.876 10.537 -3.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 408 -7.999 8.448 -1.194 1.00 0.00 H new ATOM 0 HH2 TRP A 408 -6.923 10.548 -1.877 1.00 0.00 H new ATOM 504 N ARG A 425 -7.259 7.525 -8.061 1.00 0.00 N ATOM 505 CA ARG A 425 -6.183 8.447 -7.865 1.00 0.00 C ATOM 506 C ARG A 425 -4.909 7.674 -7.993 1.00 0.00 C ATOM 507 O ARG A 425 -4.843 6.511 -7.577 1.00 0.00 O ATOM 508 CB ARG A 425 -6.284 9.157 -6.512 1.00 0.00 C ATOM 509 CG ARG A 425 -7.632 9.833 -6.273 1.00 0.00 C ATOM 510 CD ARG A 425 -7.957 10.936 -7.291 1.00 0.00 C ATOM 511 NE ARG A 425 -7.064 12.123 -7.239 1.00 0.00 N ATOM 512 CZ ARG A 425 -7.409 13.354 -7.718 1.00 0.00 C ATOM 513 NH1 ARG A 425 -8.645 13.574 -8.182 1.00 0.00 N ATOM 514 NH2 ARG A 425 -6.530 14.360 -7.723 1.00 0.00 N ATOM 0 HA ARG A 425 -6.221 9.238 -8.614 1.00 0.00 H new ATOM 0 HB2 ARG A 425 -6.105 8.433 -5.717 1.00 0.00 H new ATOM 0 HB3 ARG A 425 -5.495 9.906 -6.445 1.00 0.00 H new ATOM 0 HG2 ARG A 425 -8.418 9.078 -6.305 1.00 0.00 H new ATOM 0 HG3 ARG A 425 -7.641 10.261 -5.271 1.00 0.00 H new ATOM 0 HD2 ARG A 425 -7.911 10.509 -8.293 1.00 0.00 H new ATOM 0 HD3 ARG A 425 -8.984 11.265 -7.132 1.00 0.00 H new ATOM 0 HE ARG A 425 -6.140 12.011 -6.821 1.00 0.00 H new ATOM 0 HH11 ARG A 425 -9.333 12.821 -8.178 1.00 0.00 H new ATOM 0 HH12 ARG A 425 -8.899 14.495 -8.539 1.00 0.00 H new ATOM 0 HH21 ARG A 425 -5.586 14.214 -7.366 1.00 0.00 H new ATOM 0 HH22 ARG A 425 -6.803 15.274 -8.084 1.00 0.00 H new ATOM 528 N SER A 426 -3.912 8.296 -8.531 1.00 0.00 N ATOM 529 CA SER A 426 -2.689 7.637 -8.794 1.00 0.00 C ATOM 530 C SER A 426 -1.532 8.548 -8.517 1.00 0.00 C ATOM 531 O SER A 426 -1.583 9.742 -8.824 1.00 0.00 O ATOM 532 CB SER A 426 -2.669 7.114 -10.233 1.00 0.00 C ATOM 533 OG SER A 426 -2.975 8.133 -11.184 1.00 0.00 O ATOM 0 H SER A 426 -3.929 9.280 -8.799 1.00 0.00 H new ATOM 0 HA SER A 426 -2.596 6.779 -8.128 1.00 0.00 H new ATOM 0 HB2 SER A 426 -1.685 6.699 -10.453 1.00 0.00 H new ATOM 0 HB3 SER A 426 -3.388 6.300 -10.332 1.00 0.00 H new ATOM 0 HG SER A 426 -2.949 7.755 -12.088 1.00 0.00 H new ATOM 539 N LEU A 427 -0.524 8.006 -7.916 1.00 0.00 N ATOM 540 CA LEU A 427 0.644 8.756 -7.575 1.00 0.00 C ATOM 541 C LEU A 427 1.896 7.965 -7.883 1.00 0.00 C ATOM 542 O LEU A 427 2.058 6.838 -7.397 1.00 0.00 O ATOM 543 CB LEU A 427 0.621 9.147 -6.095 1.00 0.00 C ATOM 544 CG LEU A 427 -0.441 10.163 -5.673 1.00 0.00 C ATOM 545 CD1 LEU A 427 -0.455 10.307 -4.165 1.00 0.00 C ATOM 546 CD2 LEU A 427 -0.163 11.513 -6.325 1.00 0.00 C ATOM 0 H LEU A 427 -0.486 7.023 -7.645 1.00 0.00 H new ATOM 0 HA LEU A 427 0.649 9.665 -8.177 1.00 0.00 H new ATOM 0 HB2 LEU A 427 0.480 8.241 -5.505 1.00 0.00 H new ATOM 0 HB3 LEU A 427 1.600 9.548 -5.833 1.00 0.00 H new ATOM 0 HG LEU A 427 -1.418 9.807 -6.001 1.00 0.00 H new ATOM 0 HD11 LEU A 427 -1.215 11.033 -3.876 1.00 0.00 H new ATOM 0 HD12 LEU A 427 -0.682 9.343 -3.710 1.00 0.00 H new ATOM 0 HD13 LEU A 427 0.522 10.649 -3.823 1.00 0.00 H new ATOM 0 HD21 LEU A 427 -0.925 12.229 -6.018 1.00 0.00 H new ATOM 0 HD22 LEU A 427 0.818 11.872 -6.015 1.00 0.00 H new ATOM 0 HD23 LEU A 427 -0.183 11.404 -7.409 1.00 0.00 H new ATOM 558 N PRO A 428 2.733 8.481 -8.786 1.00 0.00 N ATOM 559 CA PRO A 428 4.067 7.938 -9.026 1.00 0.00 C ATOM 560 C PRO A 428 4.929 8.128 -7.777 1.00 0.00 C ATOM 561 O PRO A 428 4.875 9.189 -7.120 1.00 0.00 O ATOM 562 CB PRO A 428 4.603 8.794 -10.186 1.00 0.00 C ATOM 563 CG PRO A 428 3.387 9.374 -10.818 1.00 0.00 C ATOM 564 CD PRO A 428 2.425 9.596 -9.696 1.00 0.00 C ATOM 0 HA PRO A 428 4.069 6.872 -9.256 1.00 0.00 H new ATOM 0 HB2 PRO A 428 5.273 9.575 -9.826 1.00 0.00 H new ATOM 0 HB3 PRO A 428 5.169 8.190 -10.896 1.00 0.00 H new ATOM 0 HG2 PRO A 428 3.617 10.309 -11.329 1.00 0.00 H new ATOM 0 HG3 PRO A 428 2.971 8.697 -11.564 1.00 0.00 H new ATOM 0 HD2 PRO A 428 2.576 10.564 -9.218 1.00 0.00 H new ATOM 0 HD3 PRO A 428 1.390 9.567 -10.037 1.00 0.00 H new ATOM 572 N CYS A 429 5.694 7.137 -7.445 1.00 0.00 N ATOM 573 CA CYS A 429 6.465 7.163 -6.241 1.00 0.00 C ATOM 574 C CYS A 429 7.796 6.469 -6.415 1.00 0.00 C ATOM 575 O CYS A 429 8.010 5.723 -7.387 1.00 0.00 O ATOM 576 CB CYS A 429 5.668 6.477 -5.130 1.00 0.00 C ATOM 577 SG CYS A 429 5.077 4.822 -5.564 1.00 0.00 S ATOM 0 H CYS A 429 5.802 6.288 -7.999 1.00 0.00 H new ATOM 0 HA CYS A 429 6.666 8.202 -5.982 1.00 0.00 H new ATOM 0 HB2 CYS A 429 6.292 6.407 -4.239 1.00 0.00 H new ATOM 0 HB3 CYS A 429 4.813 7.101 -4.872 1.00 0.00 H new ATOM 0 HG CYS A 429 5.039 4.700 -6.858 1.00 0.00 H new ATOM 583 N GLN A 430 8.668 6.701 -5.479 1.00 0.00 N ATOM 584 CA GLN A 430 9.931 6.046 -5.419 1.00 0.00 C ATOM 585 C GLN A 430 9.936 5.233 -4.143 1.00 0.00 C ATOM 586 O GLN A 430 9.483 5.711 -3.076 1.00 0.00 O ATOM 587 CB GLN A 430 11.107 7.044 -5.456 1.00 0.00 C ATOM 588 CG GLN A 430 11.146 8.027 -4.296 1.00 0.00 C ATOM 589 CD GLN A 430 12.361 8.926 -4.322 1.00 0.00 C ATOM 590 OE1 GLN A 430 13.420 8.551 -4.826 1.00 0.00 O ATOM 591 NE2 GLN A 430 12.246 10.093 -3.744 1.00 0.00 N ATOM 0 H GLN A 430 8.513 7.366 -4.722 1.00 0.00 H new ATOM 0 HA GLN A 430 10.067 5.407 -6.291 1.00 0.00 H new ATOM 0 HB2 GLN A 430 12.041 6.483 -5.470 1.00 0.00 H new ATOM 0 HB3 GLN A 430 11.059 7.606 -6.389 1.00 0.00 H new ATOM 0 HG2 GLN A 430 10.246 8.642 -4.318 1.00 0.00 H new ATOM 0 HG3 GLN A 430 11.131 7.473 -3.357 1.00 0.00 H new ATOM 0 HE21 GLN A 430 11.355 10.374 -3.336 1.00 0.00 H new ATOM 0 HE22 GLN A 430 13.048 10.722 -3.701 1.00 0.00 H new ATOM 600 N VAL A 431 10.356 4.006 -4.261 1.00 0.00 N ATOM 601 CA VAL A 431 10.316 3.066 -3.183 1.00 0.00 C ATOM 602 C VAL A 431 11.704 2.549 -2.881 1.00 0.00 C ATOM 603 O VAL A 431 12.423 2.026 -3.772 1.00 0.00 O ATOM 604 CB VAL A 431 9.404 1.862 -3.532 1.00 0.00 C ATOM 605 CG1 VAL A 431 9.226 0.927 -2.347 1.00 0.00 C ATOM 606 CG2 VAL A 431 8.068 2.335 -4.062 1.00 0.00 C ATOM 0 H VAL A 431 10.742 3.626 -5.125 1.00 0.00 H new ATOM 0 HA VAL A 431 9.915 3.583 -2.311 1.00 0.00 H new ATOM 0 HB VAL A 431 9.899 1.292 -4.319 1.00 0.00 H new ATOM 0 HG11 VAL A 431 8.580 0.096 -2.633 1.00 0.00 H new ATOM 0 HG12 VAL A 431 10.198 0.542 -2.038 1.00 0.00 H new ATOM 0 HG13 VAL A 431 8.772 1.471 -1.519 1.00 0.00 H new ATOM 0 HG21 VAL A 431 7.445 1.473 -4.300 1.00 0.00 H new ATOM 0 HG22 VAL A 431 7.572 2.944 -3.306 1.00 0.00 H new ATOM 0 HG23 VAL A 431 8.224 2.930 -4.962 1.00 0.00 H new ATOM 616 N TYR A 432 12.078 2.711 -1.662 1.00 0.00 N ATOM 617 CA TYR A 432 13.311 2.203 -1.157 1.00 0.00 C ATOM 618 C TYR A 432 12.982 1.003 -0.307 1.00 0.00 C ATOM 619 O TYR A 432 11.847 0.858 0.114 1.00 0.00 O ATOM 620 CB TYR A 432 14.009 3.227 -0.269 1.00 0.00 C ATOM 621 CG TYR A 432 14.226 4.585 -0.880 1.00 0.00 C ATOM 622 CD1 TYR A 432 15.253 4.813 -1.780 1.00 0.00 C ATOM 623 CD2 TYR A 432 13.424 5.655 -0.514 1.00 0.00 C ATOM 624 CE1 TYR A 432 15.474 6.072 -2.301 1.00 0.00 C ATOM 625 CE2 TYR A 432 13.630 6.912 -1.033 1.00 0.00 C ATOM 626 CZ TYR A 432 14.657 7.116 -1.924 1.00 0.00 C ATOM 627 OH TYR A 432 14.881 8.373 -2.422 1.00 0.00 O ATOM 0 H TYR A 432 11.524 3.212 -0.968 1.00 0.00 H new ATOM 0 HA TYR A 432 13.969 1.959 -1.991 1.00 0.00 H new ATOM 0 HB2 TYR A 432 13.423 3.349 0.642 1.00 0.00 H new ATOM 0 HB3 TYR A 432 14.978 2.823 0.026 1.00 0.00 H new ATOM 0 HD1 TYR A 432 15.890 3.994 -2.079 1.00 0.00 H new ATOM 0 HD2 TYR A 432 12.622 5.499 0.192 1.00 0.00 H new ATOM 0 HE1 TYR A 432 16.281 6.238 -2.999 1.00 0.00 H new ATOM 0 HE2 TYR A 432 12.990 7.732 -0.743 1.00 0.00 H new ATOM 0 HH TYR A 432 14.513 8.436 -3.328 1.00 0.00 H new ATOM 637 N VAL A 433 13.940 0.166 -0.060 1.00 0.00 N ATOM 638 CA VAL A 433 13.754 -0.962 0.818 1.00 0.00 C ATOM 639 C VAL A 433 14.752 -0.886 1.947 1.00 0.00 C ATOM 640 O VAL A 433 15.858 -0.402 1.766 1.00 0.00 O ATOM 641 CB VAL A 433 13.929 -2.345 0.088 1.00 0.00 C ATOM 642 CG1 VAL A 433 12.797 -2.632 -0.867 1.00 0.00 C ATOM 643 CG2 VAL A 433 15.262 -2.435 -0.644 1.00 0.00 C ATOM 0 H VAL A 433 14.876 0.239 -0.458 1.00 0.00 H new ATOM 0 HA VAL A 433 12.730 -0.910 1.187 1.00 0.00 H new ATOM 0 HB VAL A 433 13.913 -3.103 0.871 1.00 0.00 H new ATOM 0 HG11 VAL A 433 12.962 -3.597 -1.347 1.00 0.00 H new ATOM 0 HG12 VAL A 433 11.855 -2.656 -0.319 1.00 0.00 H new ATOM 0 HG13 VAL A 433 12.755 -1.851 -1.627 1.00 0.00 H new ATOM 0 HG21 VAL A 433 15.343 -3.405 -1.134 1.00 0.00 H new ATOM 0 HG22 VAL A 433 15.320 -1.644 -1.392 1.00 0.00 H new ATOM 0 HG23 VAL A 433 16.078 -2.320 0.070 1.00 0.00 H new ATOM 653 N ASN A 434 14.324 -1.225 3.119 1.00 0.00 N ATOM 654 CA ASN A 434 15.220 -1.411 4.214 1.00 0.00 C ATOM 655 C ASN A 434 15.528 -2.877 4.311 1.00 0.00 C ATOM 656 O ASN A 434 14.536 -3.741 4.335 1.00 0.00 O ATOM 657 CB ASN A 434 14.713 -0.821 5.534 1.00 0.00 C ATOM 658 CG ASN A 434 15.635 -1.103 6.719 1.00 0.00 C ATOM 659 OD1 ASN A 434 15.461 -2.092 7.436 1.00 0.00 O ATOM 660 ND2 ASN A 434 16.633 -0.273 6.915 1.00 0.00 N ATOM 0 H ASN A 434 13.342 -1.381 3.345 1.00 0.00 H new ATOM 0 HA ASN A 434 16.135 -0.851 4.021 1.00 0.00 H new ATOM 0 HB2 ASN A 434 14.598 0.257 5.421 1.00 0.00 H new ATOM 0 HB3 ASN A 434 13.724 -1.226 5.748 1.00 0.00 H new ATOM 0 HD21 ASN A 434 17.291 -0.437 7.677 1.00 0.00 H new ATOM 0 HD22 ASN A 434 16.751 0.536 6.305 1.00 0.00 H new ATOM 667 N HIS A 435 16.867 -3.121 4.434 1.00 0.00 N ATOM 668 CA HIS A 435 17.602 -4.411 4.365 1.00 0.00 C ATOM 669 C HIS A 435 16.862 -5.649 4.894 1.00 0.00 C ATOM 670 O HIS A 435 15.959 -5.564 5.737 1.00 0.00 O ATOM 671 CB HIS A 435 18.953 -4.319 5.108 1.00 0.00 C ATOM 672 CG HIS A 435 20.004 -3.468 4.455 1.00 0.00 C ATOM 673 ND1 HIS A 435 20.992 -3.970 3.644 1.00 0.00 N ATOM 674 CD2 HIS A 435 20.237 -2.136 4.539 1.00 0.00 C ATOM 675 CE1 HIS A 435 21.782 -2.961 3.273 1.00 0.00 C ATOM 676 NE2 HIS A 435 21.368 -1.816 3.791 1.00 0.00 N ATOM 0 H HIS A 435 17.512 -2.348 4.598 1.00 0.00 H new ATOM 0 HA HIS A 435 17.727 -4.561 3.293 1.00 0.00 H new ATOM 0 HB2 HIS A 435 18.769 -3.930 6.110 1.00 0.00 H new ATOM 0 HB3 HIS A 435 19.351 -5.327 5.225 1.00 0.00 H new ATOM 0 HD2 HIS A 435 19.639 -1.432 5.099 1.00 0.00 H new ATOM 0 HE1 HIS A 435 22.646 -3.065 2.634 1.00 0.00 H new ATOM 0 HE2 HIS A 435 21.788 -0.894 3.669 1.00 0.00 H new ATOM 684 N GLY A 436 17.334 -6.812 4.463 1.00 0.00 N ATOM 685 CA GLY A 436 16.687 -8.057 4.815 1.00 0.00 C ATOM 686 C GLY A 436 16.026 -8.636 3.603 1.00 0.00 C ATOM 687 O GLY A 436 15.399 -9.696 3.644 1.00 0.00 O ATOM 0 H GLY A 436 18.159 -6.913 3.872 1.00 0.00 H new ATOM 0 HA2 GLY A 436 17.419 -8.759 5.214 1.00 0.00 H new ATOM 0 HA3 GLY A 436 15.949 -7.887 5.599 1.00 0.00 H new ATOM 691 N GLU A 437 16.152 -7.906 2.548 1.00 0.00 N ATOM 692 CA GLU A 437 15.505 -8.119 1.293 1.00 0.00 C ATOM 693 C GLU A 437 16.372 -8.811 0.217 1.00 0.00 C ATOM 694 O GLU A 437 17.588 -8.912 0.325 1.00 0.00 O ATOM 695 CB GLU A 437 15.010 -6.759 0.765 1.00 0.00 C ATOM 696 CG GLU A 437 15.919 -5.547 1.105 1.00 0.00 C ATOM 697 CD GLU A 437 17.396 -5.748 0.788 1.00 0.00 C ATOM 698 OE1 GLU A 437 17.801 -5.577 -0.365 1.00 0.00 O ATOM 699 OE2 GLU A 437 18.162 -6.102 1.721 1.00 0.00 O ATOM 0 H GLU A 437 16.754 -7.083 2.537 1.00 0.00 H new ATOM 0 HA GLU A 437 14.684 -8.811 1.483 1.00 0.00 H new ATOM 0 HB2 GLU A 437 14.908 -6.823 -0.318 1.00 0.00 H new ATOM 0 HB3 GLU A 437 14.015 -6.571 1.169 1.00 0.00 H new ATOM 0 HG2 GLU A 437 15.559 -4.676 0.557 1.00 0.00 H new ATOM 0 HG3 GLU A 437 15.817 -5.321 2.166 1.00 0.00 H new ATOM 706 N ASN A 438 15.676 -9.336 -0.770 1.00 0.00 N ATOM 707 CA ASN A 438 16.227 -9.832 -2.023 1.00 0.00 C ATOM 708 C ASN A 438 15.059 -9.840 -3.007 1.00 0.00 C ATOM 709 O ASN A 438 14.132 -10.654 -2.901 1.00 0.00 O ATOM 710 CB ASN A 438 16.948 -11.234 -1.912 1.00 0.00 C ATOM 711 CG ASN A 438 16.051 -12.467 -1.748 1.00 0.00 C ATOM 712 OD1 ASN A 438 15.650 -13.096 -2.734 1.00 0.00 O ATOM 713 ND2 ASN A 438 15.742 -12.828 -0.533 1.00 0.00 N ATOM 0 H ASN A 438 14.662 -9.435 -0.722 1.00 0.00 H new ATOM 0 HA ASN A 438 17.035 -9.183 -2.360 1.00 0.00 H new ATOM 0 HB2 ASN A 438 17.556 -11.374 -2.806 1.00 0.00 H new ATOM 0 HB3 ASN A 438 17.632 -11.197 -1.064 1.00 0.00 H new ATOM 0 HD21 ASN A 438 15.155 -13.648 -0.378 1.00 0.00 H new ATOM 0 HD22 ASN A 438 16.087 -12.290 0.262 1.00 0.00 H new ATOM 720 N LEU A 439 14.989 -8.822 -3.821 1.00 0.00 N ATOM 721 CA LEU A 439 13.873 -8.670 -4.733 1.00 0.00 C ATOM 722 C LEU A 439 14.312 -8.190 -6.095 1.00 0.00 C ATOM 723 O LEU A 439 15.212 -7.364 -6.200 1.00 0.00 O ATOM 724 CB LEU A 439 12.772 -7.723 -4.159 1.00 0.00 C ATOM 725 CG LEU A 439 13.141 -6.233 -3.879 1.00 0.00 C ATOM 726 CD1 LEU A 439 11.895 -5.449 -3.565 1.00 0.00 C ATOM 727 CD2 LEU A 439 14.072 -6.096 -2.699 1.00 0.00 C ATOM 0 H LEU A 439 15.689 -8.082 -3.876 1.00 0.00 H new ATOM 0 HA LEU A 439 13.441 -9.664 -4.848 1.00 0.00 H new ATOM 0 HB2 LEU A 439 11.933 -7.731 -4.854 1.00 0.00 H new ATOM 0 HB3 LEU A 439 12.416 -8.157 -3.225 1.00 0.00 H new ATOM 0 HG LEU A 439 13.635 -5.854 -4.774 1.00 0.00 H new ATOM 0 HD11 LEU A 439 12.159 -4.409 -3.370 1.00 0.00 H new ATOM 0 HD12 LEU A 439 11.211 -5.497 -4.413 1.00 0.00 H new ATOM 0 HD13 LEU A 439 11.411 -5.872 -2.684 1.00 0.00 H new ATOM 0 HD21 LEU A 439 14.304 -5.043 -2.539 1.00 0.00 H new ATOM 0 HD22 LEU A 439 13.593 -6.502 -1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 439 14.993 -6.644 -2.897 1.00 0.00 H new ATOM 739 N LYS A 440 13.725 -8.741 -7.122 1.00 0.00 N ATOM 740 CA LYS A 440 13.889 -8.226 -8.459 1.00 0.00 C ATOM 741 C LYS A 440 12.619 -7.457 -8.801 1.00 0.00 C ATOM 742 O LYS A 440 11.578 -8.058 -9.061 1.00 0.00 O ATOM 743 CB LYS A 440 14.110 -9.376 -9.457 1.00 0.00 C ATOM 744 CG LYS A 440 15.402 -10.152 -9.232 1.00 0.00 C ATOM 745 CD LYS A 440 15.458 -11.432 -10.065 1.00 0.00 C ATOM 746 CE LYS A 440 15.487 -11.194 -11.577 1.00 0.00 C ATOM 747 NZ LYS A 440 16.705 -10.480 -12.030 1.00 0.00 N ATOM 0 H LYS A 440 13.119 -9.559 -7.059 1.00 0.00 H new ATOM 0 HA LYS A 440 14.761 -7.575 -8.518 1.00 0.00 H new ATOM 0 HB2 LYS A 440 13.268 -10.066 -9.393 1.00 0.00 H new ATOM 0 HB3 LYS A 440 14.114 -8.970 -10.469 1.00 0.00 H new ATOM 0 HG2 LYS A 440 16.253 -9.519 -9.484 1.00 0.00 H new ATOM 0 HG3 LYS A 440 15.494 -10.404 -8.175 1.00 0.00 H new ATOM 0 HD2 LYS A 440 16.344 -11.999 -9.780 1.00 0.00 H new ATOM 0 HD3 LYS A 440 14.593 -12.049 -9.822 1.00 0.00 H new ATOM 0 HE2 LYS A 440 15.423 -12.153 -12.091 1.00 0.00 H new ATOM 0 HE3 LYS A 440 14.607 -10.618 -11.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 440 16.929 -10.760 -13.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 440 16.540 -9.454 -11.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 440 17.502 -10.725 -11.408 1.00 0.00 H new ATOM 761 N THR A 441 12.696 -6.147 -8.821 1.00 0.00 N ATOM 762 CA THR A 441 11.516 -5.315 -9.038 1.00 0.00 C ATOM 763 C THR A 441 11.138 -5.213 -10.515 1.00 0.00 C ATOM 764 O THR A 441 10.129 -4.630 -10.892 1.00 0.00 O ATOM 765 CB THR A 441 11.710 -3.939 -8.388 1.00 0.00 C ATOM 766 OG1 THR A 441 12.974 -3.381 -8.795 1.00 0.00 O ATOM 767 CG2 THR A 441 11.695 -4.097 -6.881 1.00 0.00 C ATOM 0 H THR A 441 13.562 -5.625 -8.690 1.00 0.00 H new ATOM 0 HA THR A 441 10.669 -5.800 -8.552 1.00 0.00 H new ATOM 0 HB THR A 441 10.906 -3.273 -8.701 1.00 0.00 H new ATOM 0 HG1 THR A 441 13.175 -2.593 -8.248 1.00 0.00 H new ATOM 0 HG21 THR A 441 11.832 -3.123 -6.412 1.00 0.00 H new ATOM 0 HG22 THR A 441 10.740 -4.519 -6.569 1.00 0.00 H new ATOM 0 HG23 THR A 441 12.502 -4.763 -6.577 1.00 0.00 H new ATOM 775 N GLU A 442 11.946 -5.824 -11.330 1.00 0.00 N ATOM 776 CA GLU A 442 11.719 -5.942 -12.749 1.00 0.00 C ATOM 777 C GLU A 442 10.608 -6.974 -13.027 1.00 0.00 C ATOM 778 O GLU A 442 10.066 -7.057 -14.132 1.00 0.00 O ATOM 779 CB GLU A 442 13.025 -6.350 -13.407 1.00 0.00 C ATOM 780 CG GLU A 442 13.589 -7.638 -12.848 1.00 0.00 C ATOM 781 CD GLU A 442 14.984 -7.911 -13.303 1.00 0.00 C ATOM 782 OE1 GLU A 442 15.199 -8.118 -14.508 1.00 0.00 O ATOM 783 OE2 GLU A 442 15.887 -7.971 -12.457 1.00 0.00 O ATOM 0 H GLU A 442 12.810 -6.270 -11.021 1.00 0.00 H new ATOM 0 HA GLU A 442 11.388 -4.989 -13.161 1.00 0.00 H new ATOM 0 HB2 GLU A 442 12.866 -6.464 -14.479 1.00 0.00 H new ATOM 0 HB3 GLU A 442 13.756 -5.552 -13.277 1.00 0.00 H new ATOM 0 HG2 GLU A 442 13.570 -7.594 -11.759 1.00 0.00 H new ATOM 0 HG3 GLU A 442 12.947 -8.468 -13.144 1.00 0.00 H new ATOM 790 N GLN A 443 10.278 -7.760 -12.009 1.00 0.00 N ATOM 791 CA GLN A 443 9.219 -8.744 -12.109 1.00 0.00 C ATOM 792 C GLN A 443 7.966 -8.178 -11.423 1.00 0.00 C ATOM 793 O GLN A 443 6.970 -8.871 -11.202 1.00 0.00 O ATOM 794 CB GLN A 443 9.671 -10.073 -11.466 1.00 0.00 C ATOM 795 CG GLN A 443 8.775 -11.272 -11.787 1.00 0.00 C ATOM 796 CD GLN A 443 8.695 -11.549 -13.278 1.00 0.00 C ATOM 797 OE1 GLN A 443 9.641 -11.276 -14.024 1.00 0.00 O ATOM 798 NE2 GLN A 443 7.591 -12.088 -13.730 1.00 0.00 N ATOM 0 H GLN A 443 10.737 -7.730 -11.098 1.00 0.00 H new ATOM 0 HA GLN A 443 8.986 -8.953 -13.153 1.00 0.00 H new ATOM 0 HB2 GLN A 443 10.686 -10.295 -11.797 1.00 0.00 H new ATOM 0 HB3 GLN A 443 9.709 -9.944 -10.384 1.00 0.00 H new ATOM 0 HG2 GLN A 443 9.157 -12.155 -11.276 1.00 0.00 H new ATOM 0 HG3 GLN A 443 7.773 -11.088 -11.400 1.00 0.00 H new ATOM 0 HE21 GLN A 443 6.828 -12.302 -13.088 1.00 0.00 H new ATOM 0 HE22 GLN A 443 7.494 -12.294 -14.724 1.00 0.00 H new ATOM 807 N TRP A 444 8.042 -6.908 -11.088 1.00 0.00 N ATOM 808 CA TRP A 444 6.942 -6.190 -10.496 1.00 0.00 C ATOM 809 C TRP A 444 6.233 -5.388 -11.565 1.00 0.00 C ATOM 810 O TRP A 444 6.888 -4.844 -12.476 1.00 0.00 O ATOM 811 CB TRP A 444 7.423 -5.215 -9.408 1.00 0.00 C ATOM 812 CG TRP A 444 7.882 -5.834 -8.124 1.00 0.00 C ATOM 813 CD1 TRP A 444 8.244 -7.129 -7.897 1.00 0.00 C ATOM 814 CD2 TRP A 444 8.039 -5.151 -6.881 1.00 0.00 C ATOM 815 NE1 TRP A 444 8.589 -7.294 -6.582 1.00 0.00 N ATOM 816 CE2 TRP A 444 8.476 -6.093 -5.940 1.00 0.00 C ATOM 817 CE3 TRP A 444 7.841 -3.826 -6.472 1.00 0.00 C ATOM 818 CZ2 TRP A 444 8.722 -5.759 -4.618 1.00 0.00 C ATOM 819 CZ3 TRP A 444 8.093 -3.491 -5.157 1.00 0.00 C ATOM 820 CH2 TRP A 444 8.529 -4.459 -4.242 1.00 0.00 C ATOM 0 H TRP A 444 8.880 -6.342 -11.222 1.00 0.00 H new ATOM 0 HA TRP A 444 6.273 -6.923 -10.045 1.00 0.00 H new ATOM 0 HB2 TRP A 444 8.243 -4.623 -9.816 1.00 0.00 H new ATOM 0 HB3 TRP A 444 6.611 -4.523 -9.184 1.00 0.00 H new ATOM 0 HD1 TRP A 444 8.257 -7.909 -8.644 1.00 0.00 H new ATOM 0 HE1 TRP A 444 8.883 -8.171 -6.152 1.00 0.00 H new ATOM 0 HE3 TRP A 444 7.497 -3.080 -7.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 444 9.055 -6.501 -3.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 444 7.953 -2.471 -4.829 1.00 0.00 H new ATOM 0 HH2 TRP A 444 8.717 -4.172 -3.218 1.00 0.00 H new ATOM 831 N PRO A 445 4.910 -5.328 -11.516 1.00 0.00 N ATOM 832 CA PRO A 445 4.151 -4.471 -12.400 1.00 0.00 C ATOM 833 C PRO A 445 4.364 -3.002 -12.010 1.00 0.00 C ATOM 834 O PRO A 445 4.655 -2.697 -10.852 1.00 0.00 O ATOM 835 CB PRO A 445 2.697 -4.895 -12.170 1.00 0.00 C ATOM 836 CG PRO A 445 2.683 -5.533 -10.827 1.00 0.00 C ATOM 837 CD PRO A 445 4.048 -6.107 -10.607 1.00 0.00 C ATOM 0 HA PRO A 445 4.445 -4.561 -13.446 1.00 0.00 H new ATOM 0 HB2 PRO A 445 2.027 -4.036 -12.205 1.00 0.00 H new ATOM 0 HB3 PRO A 445 2.364 -5.591 -12.940 1.00 0.00 H new ATOM 0 HG2 PRO A 445 2.442 -4.803 -10.055 1.00 0.00 H new ATOM 0 HG3 PRO A 445 1.923 -6.313 -10.777 1.00 0.00 H new ATOM 0 HD2 PRO A 445 4.363 -6.002 -9.569 1.00 0.00 H new ATOM 0 HD3 PRO A 445 4.077 -7.171 -10.843 1.00 0.00 H new ATOM 845 N GLN A 446 4.209 -2.108 -12.955 1.00 0.00 N ATOM 846 CA GLN A 446 4.482 -0.686 -12.722 1.00 0.00 C ATOM 847 C GLN A 446 3.331 0.044 -12.023 1.00 0.00 C ATOM 848 O GLN A 446 3.445 1.230 -11.682 1.00 0.00 O ATOM 849 CB GLN A 446 4.867 -0.004 -14.018 1.00 0.00 C ATOM 850 CG GLN A 446 3.831 -0.154 -15.082 1.00 0.00 C ATOM 851 CD GLN A 446 4.298 0.326 -16.425 1.00 0.00 C ATOM 852 OE1 GLN A 446 5.492 0.282 -16.738 1.00 0.00 O ATOM 853 NE2 GLN A 446 3.383 0.753 -17.233 1.00 0.00 N ATOM 0 H GLN A 446 3.895 -2.327 -13.900 1.00 0.00 H new ATOM 0 HA GLN A 446 5.325 -0.633 -12.033 1.00 0.00 H new ATOM 0 HB2 GLN A 446 5.036 1.056 -13.829 1.00 0.00 H new ATOM 0 HB3 GLN A 446 5.810 -0.418 -14.375 1.00 0.00 H new ATOM 0 HG2 GLN A 446 3.544 -1.203 -15.157 1.00 0.00 H new ATOM 0 HG3 GLN A 446 2.939 0.401 -14.794 1.00 0.00 H new ATOM 0 HE21 GLN A 446 2.408 0.773 -16.935 1.00 0.00 H new ATOM 0 HE22 GLN A 446 3.636 1.070 -18.169 1.00 0.00 H new ATOM 862 N LYS A 447 2.236 -0.656 -11.826 1.00 0.00 N ATOM 863 CA LYS A 447 1.089 -0.129 -11.118 1.00 0.00 C ATOM 864 C LYS A 447 0.611 -1.114 -10.094 1.00 0.00 C ATOM 865 O LYS A 447 0.373 -2.284 -10.404 1.00 0.00 O ATOM 866 CB LYS A 447 -0.070 0.248 -12.049 1.00 0.00 C ATOM 867 CG LYS A 447 0.094 1.564 -12.786 1.00 0.00 C ATOM 868 CD LYS A 447 -1.141 1.856 -13.612 1.00 0.00 C ATOM 869 CE LYS A 447 -1.096 3.230 -14.248 1.00 0.00 C ATOM 870 NZ LYS A 447 -2.289 3.477 -15.085 1.00 0.00 N ATOM 0 H LYS A 447 2.115 -1.614 -12.155 1.00 0.00 H new ATOM 0 HA LYS A 447 1.422 0.787 -10.630 1.00 0.00 H new ATOM 0 HB2 LYS A 447 -0.198 -0.547 -12.783 1.00 0.00 H new ATOM 0 HB3 LYS A 447 -0.987 0.291 -11.462 1.00 0.00 H new ATOM 0 HG2 LYS A 447 0.263 2.371 -12.073 1.00 0.00 H new ATOM 0 HG3 LYS A 447 0.971 1.521 -13.432 1.00 0.00 H new ATOM 0 HD2 LYS A 447 -1.241 1.101 -14.391 1.00 0.00 H new ATOM 0 HD3 LYS A 447 -2.025 1.780 -12.979 1.00 0.00 H new ATOM 0 HE2 LYS A 447 -1.032 3.991 -13.470 1.00 0.00 H new ATOM 0 HE3 LYS A 447 -0.197 3.321 -14.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 -2.227 4.426 -15.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 -2.336 2.765 -15.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 -3.145 3.414 -14.497 1.00 0.00 H new ATOM 884 N LEU A 448 0.504 -0.657 -8.885 1.00 0.00 N ATOM 885 CA LEU A 448 0.023 -1.461 -7.794 1.00 0.00 C ATOM 886 C LEU A 448 -1.236 -0.824 -7.249 1.00 0.00 C ATOM 887 O LEU A 448 -1.372 0.414 -7.272 1.00 0.00 O ATOM 888 CB LEU A 448 1.072 -1.574 -6.693 1.00 0.00 C ATOM 889 CG LEU A 448 2.440 -2.126 -7.088 1.00 0.00 C ATOM 890 CD1 LEU A 448 3.343 -2.210 -5.880 1.00 0.00 C ATOM 891 CD2 LEU A 448 2.307 -3.468 -7.759 1.00 0.00 C ATOM 0 H LEU A 448 0.750 0.297 -8.620 1.00 0.00 H new ATOM 0 HA LEU A 448 -0.188 -2.468 -8.154 1.00 0.00 H new ATOM 0 HB2 LEU A 448 1.219 -0.583 -6.263 1.00 0.00 H new ATOM 0 HB3 LEU A 448 0.667 -2.207 -5.904 1.00 0.00 H new ATOM 0 HG LEU A 448 2.892 -1.441 -7.805 1.00 0.00 H new ATOM 0 HD11 LEU A 448 4.314 -2.605 -6.178 1.00 0.00 H new ATOM 0 HD12 LEU A 448 3.472 -1.216 -5.452 1.00 0.00 H new ATOM 0 HD13 LEU A 448 2.896 -2.870 -5.137 1.00 0.00 H new ATOM 0 HD21 LEU A 448 3.295 -3.839 -8.030 1.00 0.00 H new ATOM 0 HD22 LEU A 448 1.831 -4.171 -7.076 1.00 0.00 H new ATOM 0 HD23 LEU A 448 1.698 -3.367 -8.658 1.00 0.00 H new ATOM 903 N ILE A 449 -2.156 -1.628 -6.775 1.00 0.00 N ATOM 904 CA ILE A 449 -3.406 -1.091 -6.290 1.00 0.00 C ATOM 905 C ILE A 449 -3.440 -1.111 -4.778 1.00 0.00 C ATOM 906 O ILE A 449 -3.205 -2.147 -4.148 1.00 0.00 O ATOM 907 CB ILE A 449 -4.652 -1.817 -6.891 1.00 0.00 C ATOM 908 CG1 ILE A 449 -4.675 -1.633 -8.419 1.00 0.00 C ATOM 909 CG2 ILE A 449 -5.956 -1.293 -6.265 1.00 0.00 C ATOM 910 CD1 ILE A 449 -5.851 -2.290 -9.109 1.00 0.00 C ATOM 0 H ILE A 449 -2.067 -2.642 -6.714 1.00 0.00 H new ATOM 0 HA ILE A 449 -3.461 -0.057 -6.630 1.00 0.00 H new ATOM 0 HB ILE A 449 -4.577 -2.880 -6.660 1.00 0.00 H new ATOM 0 HG12 ILE A 449 -4.686 -0.567 -8.644 1.00 0.00 H new ATOM 0 HG13 ILE A 449 -3.752 -2.037 -8.836 1.00 0.00 H new ATOM 0 HG21 ILE A 449 -6.806 -1.817 -6.703 1.00 0.00 H new ATOM 0 HG22 ILE A 449 -5.938 -1.466 -5.189 1.00 0.00 H new ATOM 0 HG23 ILE A 449 -6.049 -0.224 -6.459 1.00 0.00 H new ATOM 0 HD11 ILE A 449 -5.789 -2.111 -10.182 1.00 0.00 H new ATOM 0 HD12 ILE A 449 -5.832 -3.363 -8.918 1.00 0.00 H new ATOM 0 HD13 ILE A 449 -6.780 -1.870 -8.724 1.00 0.00 H new ATOM 922 N MET A 450 -3.702 0.027 -4.207 1.00 0.00 N ATOM 923 CA MET A 450 -3.776 0.166 -2.790 1.00 0.00 C ATOM 924 C MET A 450 -5.211 0.331 -2.351 1.00 0.00 C ATOM 925 O MET A 450 -5.899 1.276 -2.750 1.00 0.00 O ATOM 926 CB MET A 450 -2.921 1.341 -2.294 1.00 0.00 C ATOM 927 CG MET A 450 -3.013 1.560 -0.783 1.00 0.00 C ATOM 928 SD MET A 450 -1.802 2.737 -0.124 1.00 0.00 S ATOM 929 CE MET A 450 -2.188 4.229 -1.027 1.00 0.00 C ATOM 0 H MET A 450 -3.872 0.892 -4.721 1.00 0.00 H new ATOM 0 HA MET A 450 -3.375 -0.745 -2.345 1.00 0.00 H new ATOM 0 HB2 MET A 450 -1.880 1.164 -2.566 1.00 0.00 H new ATOM 0 HB3 MET A 450 -3.234 2.251 -2.806 1.00 0.00 H new ATOM 0 HG2 MET A 450 -4.015 1.913 -0.539 1.00 0.00 H new ATOM 0 HG3 MET A 450 -2.882 0.602 -0.280 1.00 0.00 H new ATOM 0 HE1 MET A 450 -1.656 5.071 -0.584 1.00 0.00 H new ATOM 0 HE2 MET A 450 -1.883 4.114 -2.067 1.00 0.00 H new ATOM 0 HE3 MET A 450 -3.261 4.414 -0.982 1.00 0.00 H new ATOM 939 N GLN A 451 -5.663 -0.594 -1.573 1.00 0.00 N ATOM 940 CA GLN A 451 -6.965 -0.509 -1.000 1.00 0.00 C ATOM 941 C GLN A 451 -6.797 -0.018 0.413 1.00 0.00 C ATOM 942 O GLN A 451 -5.988 -0.566 1.175 1.00 0.00 O ATOM 943 CB GLN A 451 -7.674 -1.870 -1.008 1.00 0.00 C ATOM 944 CG GLN A 451 -9.048 -1.831 -0.348 1.00 0.00 C ATOM 945 CD GLN A 451 -10.054 -0.966 -1.089 1.00 0.00 C ATOM 946 OE1 GLN A 451 -10.028 -0.861 -2.319 1.00 0.00 O ATOM 947 NE2 GLN A 451 -10.897 -0.294 -0.351 1.00 0.00 N ATOM 0 H GLN A 451 -5.140 -1.431 -1.316 1.00 0.00 H new ATOM 0 HA GLN A 451 -7.584 0.172 -1.584 1.00 0.00 H new ATOM 0 HB2 GLN A 451 -7.781 -2.211 -2.038 1.00 0.00 H new ATOM 0 HB3 GLN A 451 -7.051 -2.601 -0.493 1.00 0.00 H new ATOM 0 HG2 GLN A 451 -9.437 -2.847 -0.277 1.00 0.00 H new ATOM 0 HG3 GLN A 451 -8.942 -1.459 0.671 1.00 0.00 H new ATOM 0 HE21 GLN A 451 -10.889 -0.406 0.663 1.00 0.00 H new ATOM 0 HE22 GLN A 451 -11.563 0.343 -0.789 1.00 0.00 H new ATOM 956 N LEU A 452 -7.489 1.006 0.748 1.00 0.00 N ATOM 957 CA LEU A 452 -7.408 1.562 2.067 1.00 0.00 C ATOM 958 C LEU A 452 -8.390 0.837 2.976 1.00 0.00 C ATOM 959 O LEU A 452 -9.492 0.470 2.544 1.00 0.00 O ATOM 960 CB LEU A 452 -7.670 3.061 2.010 1.00 0.00 C ATOM 961 CG LEU A 452 -6.736 3.846 1.075 1.00 0.00 C ATOM 962 CD1 LEU A 452 -7.290 5.224 0.797 1.00 0.00 C ATOM 963 CD2 LEU A 452 -5.345 3.959 1.680 1.00 0.00 C ATOM 0 H LEU A 452 -8.132 1.491 0.122 1.00 0.00 H new ATOM 0 HA LEU A 452 -6.408 1.424 2.479 1.00 0.00 H new ATOM 0 HB2 LEU A 452 -8.700 3.223 1.691 1.00 0.00 H new ATOM 0 HB3 LEU A 452 -7.580 3.469 3.017 1.00 0.00 H new ATOM 0 HG LEU A 452 -6.668 3.301 0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 452 -6.613 5.761 0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 452 -8.267 5.134 0.323 1.00 0.00 H new ATOM 0 HD13 LEU A 452 -7.390 5.772 1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 452 -4.698 4.518 1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 452 -5.405 4.479 2.636 1.00 0.00 H new ATOM 0 HD23 LEU A 452 -4.933 2.962 1.834 1.00 0.00 H new ATOM 975 N ILE A 453 -7.934 0.527 4.166 1.00 0.00 N ATOM 976 CA ILE A 453 -8.710 -0.175 5.174 1.00 0.00 C ATOM 977 C ILE A 453 -8.440 0.484 6.531 1.00 0.00 C ATOM 978 O ILE A 453 -7.440 1.197 6.669 1.00 0.00 O ATOM 979 CB ILE A 453 -8.315 -1.690 5.254 1.00 0.00 C ATOM 980 CG1 ILE A 453 -6.797 -1.848 5.486 1.00 0.00 C ATOM 981 CG2 ILE A 453 -8.773 -2.459 4.013 1.00 0.00 C ATOM 982 CD1 ILE A 453 -6.340 -3.280 5.641 1.00 0.00 C ATOM 0 H ILE A 453 -6.990 0.760 4.473 1.00 0.00 H new ATOM 0 HA ILE A 453 -9.765 -0.117 4.908 1.00 0.00 H new ATOM 0 HB ILE A 453 -8.834 -2.124 6.109 1.00 0.00 H new ATOM 0 HG12 ILE A 453 -6.264 -1.397 4.649 1.00 0.00 H new ATOM 0 HG13 ILE A 453 -6.517 -1.290 6.380 1.00 0.00 H new ATOM 0 HG21 ILE A 453 -8.481 -3.505 4.105 1.00 0.00 H new ATOM 0 HG22 ILE A 453 -9.857 -2.391 3.922 1.00 0.00 H new ATOM 0 HG23 ILE A 453 -8.307 -2.029 3.126 1.00 0.00 H new ATOM 0 HD11 ILE A 453 -5.262 -3.303 5.800 1.00 0.00 H new ATOM 0 HD12 ILE A 453 -6.843 -3.732 6.496 1.00 0.00 H new ATOM 0 HD13 ILE A 453 -6.585 -3.840 4.739 1.00 0.00 H new ATOM 994 N PRO A 454 -9.298 0.286 7.553 1.00 0.00 N ATOM 995 CA PRO A 454 -9.069 0.882 8.859 1.00 0.00 C ATOM 996 C PRO A 454 -7.875 0.234 9.562 1.00 0.00 C ATOM 997 O PRO A 454 -7.805 -0.995 9.708 1.00 0.00 O ATOM 998 CB PRO A 454 -10.371 0.605 9.634 1.00 0.00 C ATOM 999 CG PRO A 454 -11.348 0.118 8.610 1.00 0.00 C ATOM 1000 CD PRO A 454 -10.532 -0.504 7.522 1.00 0.00 C ATOM 0 HA PRO A 454 -8.836 1.945 8.792 1.00 0.00 H new ATOM 0 HB2 PRO A 454 -10.213 -0.141 10.413 1.00 0.00 H new ATOM 0 HB3 PRO A 454 -10.735 1.507 10.126 1.00 0.00 H new ATOM 0 HG2 PRO A 454 -12.038 -0.607 9.043 1.00 0.00 H new ATOM 0 HG3 PRO A 454 -11.950 0.940 8.224 1.00 0.00 H new ATOM 0 HD2 PRO A 454 -10.341 -1.560 7.712 1.00 0.00 H new ATOM 0 HD3 PRO A 454 -11.030 -0.439 6.555 1.00 0.00 H new ATOM 1008 N GLN A 455 -6.968 1.075 10.029 1.00 0.00 N ATOM 1009 CA GLN A 455 -5.737 0.659 10.691 1.00 0.00 C ATOM 1010 C GLN A 455 -6.020 -0.095 11.997 1.00 0.00 C ATOM 1011 O GLN A 455 -5.207 -0.868 12.470 1.00 0.00 O ATOM 1012 CB GLN A 455 -4.794 1.856 10.875 1.00 0.00 C ATOM 1013 CG GLN A 455 -3.402 1.523 11.398 1.00 0.00 C ATOM 1014 CD GLN A 455 -2.455 2.719 11.364 1.00 0.00 C ATOM 1015 OE1 GLN A 455 -1.564 2.844 12.205 1.00 0.00 O ATOM 1016 NE2 GLN A 455 -2.593 3.569 10.376 1.00 0.00 N ATOM 0 H GLN A 455 -7.066 2.088 9.959 1.00 0.00 H new ATOM 0 HA GLN A 455 -5.222 -0.055 10.048 1.00 0.00 H new ATOM 0 HB2 GLN A 455 -4.690 2.365 9.917 1.00 0.00 H new ATOM 0 HB3 GLN A 455 -5.261 2.562 11.562 1.00 0.00 H new ATOM 0 HG2 GLN A 455 -3.482 1.158 12.422 1.00 0.00 H new ATOM 0 HG3 GLN A 455 -2.979 0.714 10.803 1.00 0.00 H new ATOM 0 HE21 GLN A 455 -3.340 3.441 9.694 1.00 0.00 H new ATOM 0 HE22 GLN A 455 -1.953 4.359 10.289 1.00 0.00 H new ATOM 1025 N GLN A 456 -7.166 0.167 12.590 1.00 0.00 N ATOM 1026 CA GLN A 456 -7.584 -0.521 13.804 1.00 0.00 C ATOM 1027 C GLN A 456 -7.660 -2.051 13.576 1.00 0.00 C ATOM 1028 O GLN A 456 -7.242 -2.833 14.420 1.00 0.00 O ATOM 1029 CB GLN A 456 -8.931 0.021 14.257 1.00 0.00 C ATOM 1030 CG GLN A 456 -9.434 -0.548 15.563 1.00 0.00 C ATOM 1031 CD GLN A 456 -10.775 0.018 15.925 1.00 0.00 C ATOM 1032 OE1 GLN A 456 -10.867 1.048 16.590 1.00 0.00 O ATOM 1033 NE2 GLN A 456 -11.821 -0.634 15.497 1.00 0.00 N ATOM 0 H GLN A 456 -7.834 0.858 12.250 1.00 0.00 H new ATOM 0 HA GLN A 456 -6.844 -0.339 14.584 1.00 0.00 H new ATOM 0 HB2 GLN A 456 -8.858 1.104 14.353 1.00 0.00 H new ATOM 0 HB3 GLN A 456 -9.668 -0.181 13.480 1.00 0.00 H new ATOM 0 HG2 GLN A 456 -9.504 -1.633 15.486 1.00 0.00 H new ATOM 0 HG3 GLN A 456 -8.719 -0.330 16.356 1.00 0.00 H new ATOM 0 HE21 GLN A 456 -11.702 -1.485 14.948 1.00 0.00 H new ATOM 0 HE22 GLN A 456 -12.758 -0.293 15.712 1.00 0.00 H new ATOM 1042 N LEU A 457 -8.101 -2.452 12.386 1.00 0.00 N ATOM 1043 CA LEU A 457 -8.273 -3.876 12.058 1.00 0.00 C ATOM 1044 C LEU A 457 -6.953 -4.510 11.609 1.00 0.00 C ATOM 1045 O LEU A 457 -6.893 -5.689 11.277 1.00 0.00 O ATOM 1046 CB LEU A 457 -9.371 -4.101 10.983 1.00 0.00 C ATOM 1047 CG LEU A 457 -10.851 -3.913 11.415 1.00 0.00 C ATOM 1048 CD1 LEU A 457 -11.162 -2.481 11.810 1.00 0.00 C ATOM 1049 CD2 LEU A 457 -11.789 -4.372 10.311 1.00 0.00 C ATOM 0 H LEU A 457 -8.347 -1.815 11.629 1.00 0.00 H new ATOM 0 HA LEU A 457 -8.600 -4.368 12.974 1.00 0.00 H new ATOM 0 HB2 LEU A 457 -9.174 -3.421 10.154 1.00 0.00 H new ATOM 0 HB3 LEU A 457 -9.260 -5.114 10.597 1.00 0.00 H new ATOM 0 HG LEU A 457 -11.006 -4.531 12.299 1.00 0.00 H new ATOM 0 HD11 LEU A 457 -12.209 -2.404 12.103 1.00 0.00 H new ATOM 0 HD12 LEU A 457 -10.528 -2.189 12.647 1.00 0.00 H new ATOM 0 HD13 LEU A 457 -10.973 -1.821 10.964 1.00 0.00 H new ATOM 0 HD21 LEU A 457 -12.822 -4.233 10.630 1.00 0.00 H new ATOM 0 HD22 LEU A 457 -11.606 -3.786 9.411 1.00 0.00 H new ATOM 0 HD23 LEU A 457 -11.613 -5.427 10.099 1.00 0.00 H new ATOM 1061 N LEU A 458 -5.893 -3.727 11.650 1.00 0.00 N ATOM 1062 CA LEU A 458 -4.568 -4.173 11.248 1.00 0.00 C ATOM 1063 C LEU A 458 -3.975 -5.126 12.287 1.00 0.00 C ATOM 1064 O LEU A 458 -3.031 -5.887 12.000 1.00 0.00 O ATOM 1065 CB LEU A 458 -3.660 -2.955 11.022 1.00 0.00 C ATOM 1066 CG LEU A 458 -2.211 -3.217 10.646 1.00 0.00 C ATOM 1067 CD1 LEU A 458 -2.137 -4.075 9.406 1.00 0.00 C ATOM 1068 CD2 LEU A 458 -1.487 -1.899 10.428 1.00 0.00 C ATOM 0 H LEU A 458 -5.924 -2.757 11.965 1.00 0.00 H new ATOM 0 HA LEU A 458 -4.647 -4.725 10.311 1.00 0.00 H new ATOM 0 HB2 LEU A 458 -4.106 -2.345 10.236 1.00 0.00 H new ATOM 0 HB3 LEU A 458 -3.668 -2.357 11.933 1.00 0.00 H new ATOM 0 HG LEU A 458 -1.725 -3.753 11.461 1.00 0.00 H new ATOM 0 HD11 LEU A 458 -1.093 -4.254 9.149 1.00 0.00 H new ATOM 0 HD12 LEU A 458 -2.633 -5.027 9.592 1.00 0.00 H new ATOM 0 HD13 LEU A 458 -2.631 -3.564 8.580 1.00 0.00 H new ATOM 0 HD21 LEU A 458 -0.449 -2.094 10.159 1.00 0.00 H new ATOM 0 HD22 LEU A 458 -1.972 -1.346 9.624 1.00 0.00 H new ATOM 0 HD23 LEU A 458 -1.519 -1.310 11.345 1.00 0.00 H new ATOM 1080 N THR A 459 -4.559 -5.116 13.466 1.00 0.00 N ATOM 1081 CA THR A 459 -4.125 -5.932 14.579 1.00 0.00 C ATOM 1082 C THR A 459 -4.160 -7.434 14.237 1.00 0.00 C ATOM 1083 O THR A 459 -3.325 -8.218 14.700 1.00 0.00 O ATOM 1084 CB THR A 459 -5.002 -5.634 15.810 1.00 0.00 C ATOM 1085 OG1 THR A 459 -6.398 -5.655 15.426 1.00 0.00 O ATOM 1086 CG2 THR A 459 -4.662 -4.278 16.394 1.00 0.00 C ATOM 0 H THR A 459 -5.365 -4.529 13.682 1.00 0.00 H new ATOM 0 HA THR A 459 -3.088 -5.679 14.802 1.00 0.00 H new ATOM 0 HB THR A 459 -4.813 -6.398 16.564 1.00 0.00 H new ATOM 0 HG1 THR A 459 -6.677 -4.755 15.156 1.00 0.00 H new ATOM 0 HG21 THR A 459 -5.293 -4.087 17.262 1.00 0.00 H new ATOM 0 HG22 THR A 459 -3.615 -4.264 16.696 1.00 0.00 H new ATOM 0 HG23 THR A 459 -4.834 -3.506 15.644 1.00 0.00 H new ATOM 1094 N THR A 460 -5.081 -7.810 13.371 1.00 0.00 N ATOM 1095 CA THR A 460 -5.249 -9.182 12.957 1.00 0.00 C ATOM 1096 C THR A 460 -4.080 -9.650 12.042 1.00 0.00 C ATOM 1097 O THR A 460 -3.812 -10.850 11.913 1.00 0.00 O ATOM 1098 CB THR A 460 -6.589 -9.306 12.216 1.00 0.00 C ATOM 1099 OG1 THR A 460 -7.583 -8.607 12.981 1.00 0.00 O ATOM 1100 CG2 THR A 460 -7.010 -10.764 12.069 1.00 0.00 C ATOM 0 H THR A 460 -5.737 -7.163 12.934 1.00 0.00 H new ATOM 0 HA THR A 460 -5.244 -9.823 13.839 1.00 0.00 H new ATOM 0 HB THR A 460 -6.484 -8.883 11.217 1.00 0.00 H new ATOM 0 HG1 THR A 460 -8.449 -8.670 12.527 1.00 0.00 H new ATOM 0 HG21 THR A 460 -7.962 -10.816 11.541 1.00 0.00 H new ATOM 0 HG22 THR A 460 -6.251 -11.307 11.505 1.00 0.00 H new ATOM 0 HG23 THR A 460 -7.118 -11.213 13.056 1.00 0.00 H new ATOM 1108 N LEU A 461 -3.354 -8.701 11.470 1.00 0.00 N ATOM 1109 CA LEU A 461 -2.297 -9.013 10.505 1.00 0.00 C ATOM 1110 C LEU A 461 -0.923 -8.904 11.123 1.00 0.00 C ATOM 1111 O LEU A 461 0.091 -9.037 10.436 1.00 0.00 O ATOM 1112 CB LEU A 461 -2.369 -8.102 9.289 1.00 0.00 C ATOM 1113 CG LEU A 461 -3.600 -8.205 8.388 1.00 0.00 C ATOM 1114 CD1 LEU A 461 -3.842 -9.626 7.891 1.00 0.00 C ATOM 1115 CD2 LEU A 461 -4.854 -7.597 9.013 1.00 0.00 C ATOM 0 H LEU A 461 -3.474 -7.705 11.654 1.00 0.00 H new ATOM 0 HA LEU A 461 -2.461 -10.044 10.192 1.00 0.00 H new ATOM 0 HB2 LEU A 461 -2.296 -7.072 9.638 1.00 0.00 H new ATOM 0 HB3 LEU A 461 -1.489 -8.294 8.675 1.00 0.00 H new ATOM 0 HG LEU A 461 -3.373 -7.597 7.512 1.00 0.00 H new ATOM 0 HD11 LEU A 461 -4.728 -9.643 7.256 1.00 0.00 H new ATOM 0 HD12 LEU A 461 -2.978 -9.963 7.318 1.00 0.00 H new ATOM 0 HD13 LEU A 461 -3.994 -10.289 8.743 1.00 0.00 H new ATOM 0 HD21 LEU A 461 -5.692 -7.702 8.324 1.00 0.00 H new ATOM 0 HD22 LEU A 461 -5.084 -8.114 9.945 1.00 0.00 H new ATOM 0 HD23 LEU A 461 -4.683 -6.540 9.217 1.00 0.00 H new ATOM 1127 N GLY A 462 -0.916 -8.665 12.405 1.00 0.00 N ATOM 1128 CA GLY A 462 0.322 -8.539 13.214 1.00 0.00 C ATOM 1129 C GLY A 462 1.452 -9.554 12.865 1.00 0.00 C ATOM 1130 O GLY A 462 2.586 -9.132 12.558 1.00 0.00 O ATOM 0 H GLY A 462 -1.770 -8.546 12.950 1.00 0.00 H new ATOM 0 HA2 GLY A 462 0.714 -7.529 13.094 1.00 0.00 H new ATOM 0 HA3 GLY A 462 0.062 -8.657 14.266 1.00 0.00 H new ATOM 1134 N PRO A 463 1.182 -10.895 12.892 1.00 0.00 N ATOM 1135 CA PRO A 463 2.185 -11.938 12.557 1.00 0.00 C ATOM 1136 C PRO A 463 2.780 -11.806 11.133 1.00 0.00 C ATOM 1137 O PRO A 463 3.927 -12.216 10.894 1.00 0.00 O ATOM 1138 CB PRO A 463 1.398 -13.254 12.684 1.00 0.00 C ATOM 1139 CG PRO A 463 -0.036 -12.854 12.661 1.00 0.00 C ATOM 1140 CD PRO A 463 -0.087 -11.512 13.315 1.00 0.00 C ATOM 0 HA PRO A 463 3.050 -11.865 13.216 1.00 0.00 H new ATOM 0 HB2 PRO A 463 1.631 -13.933 11.864 1.00 0.00 H new ATOM 0 HB3 PRO A 463 1.647 -13.774 13.609 1.00 0.00 H new ATOM 0 HG2 PRO A 463 -0.414 -12.807 11.640 1.00 0.00 H new ATOM 0 HG3 PRO A 463 -0.653 -13.575 13.197 1.00 0.00 H new ATOM 0 HD2 PRO A 463 -0.949 -10.933 12.983 1.00 0.00 H new ATOM 0 HD3 PRO A 463 -0.156 -11.593 14.400 1.00 0.00 H new ATOM 1148 N LEU A 464 2.029 -11.207 10.210 1.00 0.00 N ATOM 1149 CA LEU A 464 2.503 -11.040 8.838 1.00 0.00 C ATOM 1150 C LEU A 464 3.626 -10.030 8.797 1.00 0.00 C ATOM 1151 O LEU A 464 4.676 -10.287 8.227 1.00 0.00 O ATOM 1152 CB LEU A 464 1.380 -10.614 7.856 1.00 0.00 C ATOM 1153 CG LEU A 464 0.291 -11.648 7.489 1.00 0.00 C ATOM 1154 CD1 LEU A 464 0.894 -12.933 6.948 1.00 0.00 C ATOM 1155 CD2 LEU A 464 -0.644 -11.924 8.646 1.00 0.00 C ATOM 0 H LEU A 464 1.097 -10.832 10.386 1.00 0.00 H new ATOM 0 HA LEU A 464 2.862 -12.015 8.510 1.00 0.00 H new ATOM 0 HB2 LEU A 464 0.881 -9.743 8.281 1.00 0.00 H new ATOM 0 HB3 LEU A 464 1.855 -10.289 6.930 1.00 0.00 H new ATOM 0 HG LEU A 464 -0.306 -11.204 6.692 1.00 0.00 H new ATOM 0 HD11 LEU A 464 0.096 -13.634 6.702 1.00 0.00 H new ATOM 0 HD12 LEU A 464 1.474 -12.714 6.051 1.00 0.00 H new ATOM 0 HD13 LEU A 464 1.545 -13.375 7.702 1.00 0.00 H new ATOM 0 HD21 LEU A 464 -1.392 -12.656 8.342 1.00 0.00 H new ATOM 0 HD22 LEU A 464 -0.074 -12.316 9.489 1.00 0.00 H new ATOM 0 HD23 LEU A 464 -1.140 -10.999 8.942 1.00 0.00 H new ATOM 1167 N PHE A 465 3.416 -8.914 9.481 1.00 0.00 N ATOM 1168 CA PHE A 465 4.386 -7.814 9.529 1.00 0.00 C ATOM 1169 C PHE A 465 5.578 -8.175 10.376 1.00 0.00 C ATOM 1170 O PHE A 465 6.615 -7.519 10.330 1.00 0.00 O ATOM 1171 CB PHE A 465 3.734 -6.539 10.055 1.00 0.00 C ATOM 1172 CG PHE A 465 2.723 -5.965 9.121 1.00 0.00 C ATOM 1173 CD1 PHE A 465 1.449 -6.488 9.046 1.00 0.00 C ATOM 1174 CD2 PHE A 465 3.055 -4.904 8.310 1.00 0.00 C ATOM 1175 CE1 PHE A 465 0.529 -5.967 8.178 1.00 0.00 C ATOM 1176 CE2 PHE A 465 2.141 -4.373 7.443 1.00 0.00 C ATOM 1177 CZ PHE A 465 0.872 -4.908 7.374 1.00 0.00 C ATOM 0 H PHE A 465 2.569 -8.740 10.021 1.00 0.00 H new ATOM 0 HA PHE A 465 4.732 -7.635 8.511 1.00 0.00 H new ATOM 0 HB2 PHE A 465 3.256 -6.752 11.011 1.00 0.00 H new ATOM 0 HB3 PHE A 465 4.508 -5.795 10.244 1.00 0.00 H new ATOM 0 HD1 PHE A 465 1.175 -7.318 9.680 1.00 0.00 H new ATOM 0 HD2 PHE A 465 4.050 -4.486 8.359 1.00 0.00 H new ATOM 0 HE1 PHE A 465 -0.464 -6.387 8.125 1.00 0.00 H new ATOM 0 HE2 PHE A 465 2.412 -3.538 6.814 1.00 0.00 H new ATOM 0 HZ PHE A 465 0.148 -4.494 6.688 1.00 0.00 H new ATOM 1187 N ARG A 466 5.422 -9.230 11.147 1.00 0.00 N ATOM 1188 CA ARG A 466 6.479 -9.729 11.987 1.00 0.00 C ATOM 1189 C ARG A 466 7.566 -10.355 11.115 1.00 0.00 C ATOM 1190 O ARG A 466 8.732 -10.407 11.491 1.00 0.00 O ATOM 1191 CB ARG A 466 5.918 -10.741 12.982 1.00 0.00 C ATOM 1192 CG ARG A 466 6.930 -11.268 13.972 1.00 0.00 C ATOM 1193 CD ARG A 466 6.280 -12.203 14.955 1.00 0.00 C ATOM 1194 NE ARG A 466 7.217 -12.671 15.966 1.00 0.00 N ATOM 1195 CZ ARG A 466 6.898 -12.918 17.239 1.00 0.00 C ATOM 1196 NH1 ARG A 466 5.650 -12.726 17.671 1.00 0.00 N ATOM 1197 NH2 ARG A 466 7.822 -13.352 18.077 1.00 0.00 N ATOM 0 H ARG A 466 4.555 -9.764 11.206 1.00 0.00 H new ATOM 0 HA ARG A 466 6.920 -8.909 12.554 1.00 0.00 H new ATOM 0 HB2 ARG A 466 5.098 -10.277 13.531 1.00 0.00 H new ATOM 0 HB3 ARG A 466 5.497 -11.581 12.429 1.00 0.00 H new ATOM 0 HG2 ARG A 466 7.727 -11.788 13.441 1.00 0.00 H new ATOM 0 HG3 ARG A 466 7.391 -10.436 14.505 1.00 0.00 H new ATOM 0 HD2 ARG A 466 5.446 -11.696 15.441 1.00 0.00 H new ATOM 0 HD3 ARG A 466 5.865 -13.058 14.422 1.00 0.00 H new ATOM 0 HE ARG A 466 8.185 -12.821 15.682 1.00 0.00 H new ATOM 0 HH11 ARG A 466 4.934 -12.389 17.028 1.00 0.00 H new ATOM 0 HH12 ARG A 466 5.412 -12.916 18.644 1.00 0.00 H new ATOM 0 HH21 ARG A 466 8.778 -13.498 17.752 1.00 0.00 H new ATOM 0 HH22 ARG A 466 7.580 -13.541 19.050 1.00 0.00 H new ATOM 1211 N ASN A 467 7.179 -10.788 9.938 1.00 0.00 N ATOM 1212 CA ASN A 467 8.106 -11.354 8.984 1.00 0.00 C ATOM 1213 C ASN A 467 8.021 -10.544 7.719 1.00 0.00 C ATOM 1214 O ASN A 467 7.225 -10.856 6.824 1.00 0.00 O ATOM 1215 CB ASN A 467 7.796 -12.833 8.675 1.00 0.00 C ATOM 1216 CG ASN A 467 7.907 -13.751 9.875 1.00 0.00 C ATOM 1217 OD1 ASN A 467 8.980 -14.275 10.175 1.00 0.00 O ATOM 1218 ND2 ASN A 467 6.806 -13.985 10.553 1.00 0.00 N ATOM 0 H ASN A 467 6.212 -10.758 9.614 1.00 0.00 H new ATOM 0 HA ASN A 467 9.109 -11.322 9.409 1.00 0.00 H new ATOM 0 HB2 ASN A 467 6.787 -12.905 8.268 1.00 0.00 H new ATOM 0 HB3 ASN A 467 8.478 -13.182 7.900 1.00 0.00 H new ATOM 0 HD21 ASN A 467 6.825 -14.617 11.354 1.00 0.00 H new ATOM 0 HD22 ASN A 467 5.933 -13.535 10.279 1.00 0.00 H new ATOM 1225 N SER A 468 8.756 -9.458 7.657 1.00 0.00 N ATOM 1226 CA SER A 468 8.671 -8.573 6.522 1.00 0.00 C ATOM 1227 C SER A 468 9.978 -7.812 6.267 1.00 0.00 C ATOM 1228 O SER A 468 10.848 -7.707 7.139 1.00 0.00 O ATOM 1229 CB SER A 468 7.525 -7.573 6.719 1.00 0.00 C ATOM 1230 OG SER A 468 6.270 -8.214 6.859 1.00 0.00 O ATOM 0 H SER A 468 9.417 -9.168 8.377 1.00 0.00 H new ATOM 0 HA SER A 468 8.480 -9.196 5.648 1.00 0.00 H new ATOM 0 HB2 SER A 468 7.722 -6.968 7.604 1.00 0.00 H new ATOM 0 HB3 SER A 468 7.490 -6.892 5.869 1.00 0.00 H new ATOM 0 HG SER A 468 5.564 -7.629 6.514 1.00 0.00 H new ATOM 1236 N ARG A 469 10.064 -7.282 5.079 1.00 0.00 N ATOM 1237 CA ARG A 469 11.161 -6.462 4.577 1.00 0.00 C ATOM 1238 C ARG A 469 10.620 -5.063 4.440 1.00 0.00 C ATOM 1239 O ARG A 469 9.432 -4.911 4.101 1.00 0.00 O ATOM 1240 CB ARG A 469 11.719 -6.995 3.239 1.00 0.00 C ATOM 1241 CG ARG A 469 10.676 -7.182 2.138 1.00 0.00 C ATOM 1242 CD ARG A 469 11.294 -7.685 0.835 1.00 0.00 C ATOM 1243 NE ARG A 469 11.988 -8.978 1.003 1.00 0.00 N ATOM 1244 CZ ARG A 469 12.444 -9.760 0.013 1.00 0.00 C ATOM 1245 NH1 ARG A 469 12.136 -9.504 -1.251 1.00 0.00 N ATOM 1246 NH2 ARG A 469 13.152 -10.843 0.303 1.00 0.00 N ATOM 0 H ARG A 469 9.330 -7.412 4.382 1.00 0.00 H new ATOM 0 HA ARG A 469 12.005 -6.486 5.267 1.00 0.00 H new ATOM 0 HB2 ARG A 469 12.485 -6.307 2.881 1.00 0.00 H new ATOM 0 HB3 ARG A 469 12.210 -7.951 3.421 1.00 0.00 H new ATOM 0 HG2 ARG A 469 9.918 -7.889 2.475 1.00 0.00 H new ATOM 0 HG3 ARG A 469 10.169 -6.234 1.955 1.00 0.00 H new ATOM 0 HD2 ARG A 469 10.513 -7.790 0.082 1.00 0.00 H new ATOM 0 HD3 ARG A 469 11.999 -6.943 0.461 1.00 0.00 H new ATOM 0 HE ARG A 469 12.134 -9.306 1.958 1.00 0.00 H new ATOM 0 HH11 ARG A 469 11.546 -8.704 -1.480 1.00 0.00 H new ATOM 0 HH12 ARG A 469 12.489 -10.107 -1.994 1.00 0.00 H new ATOM 0 HH21 ARG A 469 13.348 -11.079 1.276 1.00 0.00 H new ATOM 0 HH22 ARG A 469 13.501 -11.440 -0.447 1.00 0.00 H new ATOM 1260 N MET A 470 11.409 -4.046 4.731 1.00 0.00 N ATOM 1261 CA MET A 470 10.820 -2.728 4.850 1.00 0.00 C ATOM 1262 C MET A 470 10.964 -1.964 3.582 1.00 0.00 C ATOM 1263 O MET A 470 11.851 -2.222 2.803 1.00 0.00 O ATOM 1264 CB MET A 470 11.531 -1.977 5.959 1.00 0.00 C ATOM 1265 CG MET A 470 10.694 -1.685 7.160 1.00 0.00 C ATOM 1266 SD MET A 470 9.533 -0.322 6.903 1.00 0.00 S ATOM 1267 CE MET A 470 10.645 1.060 6.664 1.00 0.00 C ATOM 0 H MET A 470 12.416 -4.100 4.884 1.00 0.00 H new ATOM 0 HA MET A 470 9.758 -2.836 5.072 1.00 0.00 H new ATOM 0 HB2 MET A 470 12.399 -2.557 6.272 1.00 0.00 H new ATOM 0 HB3 MET A 470 11.905 -1.035 5.558 1.00 0.00 H new ATOM 0 HG2 MET A 470 10.138 -2.581 7.434 1.00 0.00 H new ATOM 0 HG3 MET A 470 11.346 -1.445 8.000 1.00 0.00 H new ATOM 0 HE1 MET A 470 10.137 1.986 6.933 1.00 0.00 H new ATOM 0 HE2 MET A 470 11.525 0.932 7.294 1.00 0.00 H new ATOM 0 HE3 MET A 470 10.951 1.105 5.619 1.00 0.00 H new ATOM 1277 N VAL A 471 10.038 -1.080 3.353 1.00 0.00 N ATOM 1278 CA VAL A 471 10.022 -0.225 2.203 1.00 0.00 C ATOM 1279 C VAL A 471 9.691 1.178 2.633 1.00 0.00 C ATOM 1280 O VAL A 471 9.070 1.389 3.682 1.00 0.00 O ATOM 1281 CB VAL A 471 9.025 -0.693 1.087 1.00 0.00 C ATOM 1282 CG1 VAL A 471 9.410 -2.036 0.555 1.00 0.00 C ATOM 1283 CG2 VAL A 471 7.591 -0.721 1.564 1.00 0.00 C ATOM 0 H VAL A 471 9.249 -0.930 3.981 1.00 0.00 H new ATOM 0 HA VAL A 471 11.017 -0.269 1.760 1.00 0.00 H new ATOM 0 HB VAL A 471 9.091 0.044 0.287 1.00 0.00 H new ATOM 0 HG11 VAL A 471 8.703 -2.338 -0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 471 10.412 -1.985 0.130 1.00 0.00 H new ATOM 0 HG13 VAL A 471 9.396 -2.766 1.365 1.00 0.00 H new ATOM 0 HG21 VAL A 471 6.944 -1.052 0.752 1.00 0.00 H new ATOM 0 HG22 VAL A 471 7.500 -1.410 2.404 1.00 0.00 H new ATOM 0 HG23 VAL A 471 7.293 0.279 1.881 1.00 0.00 H new ATOM 1293 N GLN A 472 10.123 2.115 1.867 1.00 0.00 N ATOM 1294 CA GLN A 472 9.884 3.490 2.145 1.00 0.00 C ATOM 1295 C GLN A 472 9.433 4.171 0.878 1.00 0.00 C ATOM 1296 O GLN A 472 10.121 4.115 -0.146 1.00 0.00 O ATOM 1297 CB GLN A 472 11.138 4.138 2.723 1.00 0.00 C ATOM 1298 CG GLN A 472 10.968 5.588 3.127 1.00 0.00 C ATOM 1299 CD GLN A 472 12.180 6.117 3.853 1.00 0.00 C ATOM 1300 OE1 GLN A 472 12.880 5.375 4.541 1.00 0.00 O ATOM 1301 NE2 GLN A 472 12.433 7.385 3.724 1.00 0.00 N ATOM 0 H GLN A 472 10.661 1.948 1.016 1.00 0.00 H new ATOM 0 HA GLN A 472 9.098 3.592 2.893 1.00 0.00 H new ATOM 0 HB2 GLN A 472 11.458 3.567 3.594 1.00 0.00 H new ATOM 0 HB3 GLN A 472 11.939 4.071 1.986 1.00 0.00 H new ATOM 0 HG2 GLN A 472 10.784 6.193 2.239 1.00 0.00 H new ATOM 0 HG3 GLN A 472 10.091 5.686 3.766 1.00 0.00 H new ATOM 0 HE21 GLN A 472 11.830 7.969 3.145 1.00 0.00 H new ATOM 0 HE22 GLN A 472 13.235 7.796 4.202 1.00 0.00 H new ATOM 1310 N PHE A 473 8.286 4.781 0.951 1.00 0.00 N ATOM 1311 CA PHE A 473 7.657 5.424 -0.165 1.00 0.00 C ATOM 1312 C PHE A 473 7.704 6.928 -0.048 1.00 0.00 C ATOM 1313 O PHE A 473 7.408 7.529 1.040 1.00 0.00 O ATOM 1314 CB PHE A 473 6.187 5.008 -0.294 1.00 0.00 C ATOM 1315 CG PHE A 473 5.921 3.653 -0.881 1.00 0.00 C ATOM 1316 CD1 PHE A 473 6.233 2.495 -0.197 1.00 0.00 C ATOM 1317 CD2 PHE A 473 5.311 3.547 -2.117 1.00 0.00 C ATOM 1318 CE1 PHE A 473 5.943 1.262 -0.742 1.00 0.00 C ATOM 1319 CE2 PHE A 473 5.026 2.316 -2.664 1.00 0.00 C ATOM 1320 CZ PHE A 473 5.342 1.174 -1.976 1.00 0.00 C ATOM 0 H PHE A 473 7.747 4.847 1.814 1.00 0.00 H new ATOM 0 HA PHE A 473 8.215 5.108 -1.046 1.00 0.00 H new ATOM 0 HB2 PHE A 473 5.734 5.045 0.697 1.00 0.00 H new ATOM 0 HB3 PHE A 473 5.675 5.751 -0.906 1.00 0.00 H new ATOM 0 HD1 PHE A 473 6.707 2.555 0.771 1.00 0.00 H new ATOM 0 HD2 PHE A 473 5.054 4.443 -2.662 1.00 0.00 H new ATOM 0 HE1 PHE A 473 6.189 0.362 -0.198 1.00 0.00 H new ATOM 0 HE2 PHE A 473 4.554 2.251 -3.633 1.00 0.00 H new ATOM 0 HZ PHE A 473 5.120 0.207 -2.402 1.00 0.00 H new ATOM 1330 N HIS A 474 8.080 7.525 -1.144 1.00 0.00 N ATOM 1331 CA HIS A 474 8.043 8.943 -1.329 1.00 0.00 C ATOM 1332 C HIS A 474 7.355 9.183 -2.666 1.00 0.00 C ATOM 1333 O HIS A 474 7.790 8.648 -3.688 1.00 0.00 O ATOM 1334 CB HIS A 474 9.466 9.527 -1.349 1.00 0.00 C ATOM 1335 CG HIS A 474 9.510 11.024 -1.467 1.00 0.00 C ATOM 1336 ND1 HIS A 474 9.592 11.707 -2.666 1.00 0.00 N ATOM 1337 CD2 HIS A 474 9.486 11.969 -0.503 1.00 0.00 C ATOM 1338 CE1 HIS A 474 9.621 13.013 -2.396 1.00 0.00 C ATOM 1339 NE2 HIS A 474 9.557 13.228 -1.092 1.00 0.00 N ATOM 0 H HIS A 474 8.431 7.019 -1.957 1.00 0.00 H new ATOM 0 HA HIS A 474 7.508 9.429 -0.513 1.00 0.00 H new ATOM 0 HB2 HIS A 474 9.983 9.229 -0.437 1.00 0.00 H new ATOM 0 HB3 HIS A 474 10.015 9.091 -2.183 1.00 0.00 H new ATOM 0 HD2 HIS A 474 9.422 11.778 0.558 1.00 0.00 H new ATOM 0 HE1 HIS A 474 9.688 13.791 -3.142 1.00 0.00 H new ATOM 0 HE2 HIS A 474 9.559 14.130 -0.616 1.00 0.00 H new ATOM 1347 N PHE A 475 6.298 9.948 -2.657 1.00 0.00 N ATOM 1348 CA PHE A 475 5.524 10.200 -3.862 1.00 0.00 C ATOM 1349 C PHE A 475 6.000 11.457 -4.543 1.00 0.00 C ATOM 1350 O PHE A 475 6.757 12.236 -3.962 1.00 0.00 O ATOM 1351 CB PHE A 475 4.038 10.360 -3.531 1.00 0.00 C ATOM 1352 CG PHE A 475 3.378 9.142 -2.959 1.00 0.00 C ATOM 1353 CD1 PHE A 475 3.198 9.006 -1.596 1.00 0.00 C ATOM 1354 CD2 PHE A 475 2.924 8.143 -3.793 1.00 0.00 C ATOM 1355 CE1 PHE A 475 2.575 7.891 -1.079 1.00 0.00 C ATOM 1356 CE2 PHE A 475 2.304 7.027 -3.286 1.00 0.00 C ATOM 1357 CZ PHE A 475 2.127 6.899 -1.928 1.00 0.00 C ATOM 0 H PHE A 475 5.943 10.416 -1.824 1.00 0.00 H new ATOM 0 HA PHE A 475 5.661 9.345 -4.524 1.00 0.00 H new ATOM 0 HB2 PHE A 475 3.926 11.181 -2.823 1.00 0.00 H new ATOM 0 HB3 PHE A 475 3.509 10.648 -4.439 1.00 0.00 H new ATOM 0 HD1 PHE A 475 3.549 9.780 -0.930 1.00 0.00 H new ATOM 0 HD2 PHE A 475 3.058 8.239 -4.860 1.00 0.00 H new ATOM 0 HE1 PHE A 475 2.438 7.793 -0.012 1.00 0.00 H new ATOM 0 HE2 PHE A 475 1.956 6.252 -3.952 1.00 0.00 H new ATOM 0 HZ PHE A 475 1.638 6.024 -1.527 1.00 0.00 H new ATOM 1429 N LEU A 480 -0.873 17.290 -5.522 1.00 0.00 N ATOM 1430 CA LEU A 480 -0.921 17.576 -4.103 1.00 0.00 C ATOM 1431 C LEU A 480 -2.288 17.356 -3.489 1.00 0.00 C ATOM 1432 O LEU A 480 -2.397 17.173 -2.278 1.00 0.00 O ATOM 1433 CB LEU A 480 -0.385 18.970 -3.807 1.00 0.00 C ATOM 1434 CG LEU A 480 1.125 19.149 -3.991 1.00 0.00 C ATOM 1435 CD1 LEU A 480 1.521 20.603 -3.803 1.00 0.00 C ATOM 1436 CD2 LEU A 480 1.882 18.271 -3.002 1.00 0.00 C ATOM 0 HA LEU A 480 -0.266 16.850 -3.622 1.00 0.00 H new ATOM 0 HB2 LEU A 480 -0.899 19.682 -4.452 1.00 0.00 H new ATOM 0 HB3 LEU A 480 -0.641 19.228 -2.779 1.00 0.00 H new ATOM 0 HG LEU A 480 1.385 18.848 -5.006 1.00 0.00 H new ATOM 0 HD11 LEU A 480 2.598 20.707 -3.938 1.00 0.00 H new ATOM 0 HD12 LEU A 480 1.002 21.219 -4.537 1.00 0.00 H new ATOM 0 HD13 LEU A 480 1.248 20.927 -2.799 1.00 0.00 H new ATOM 0 HD21 LEU A 480 2.954 18.406 -3.142 1.00 0.00 H new ATOM 0 HD22 LEU A 480 1.611 18.552 -1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 480 1.623 17.226 -3.171 1.00 0.00 H new ATOM 1448 N GLU A 481 -3.316 17.390 -4.300 1.00 0.00 N ATOM 1449 CA GLU A 481 -4.655 17.119 -3.846 1.00 0.00 C ATOM 1450 C GLU A 481 -4.828 15.646 -3.480 1.00 0.00 C ATOM 1451 O GLU A 481 -5.504 15.329 -2.493 1.00 0.00 O ATOM 1452 CB GLU A 481 -5.740 17.613 -4.814 1.00 0.00 C ATOM 1453 CG GLU A 481 -5.520 17.228 -6.244 1.00 0.00 C ATOM 1454 CD GLU A 481 -4.630 18.196 -7.005 1.00 0.00 C ATOM 1455 OE1 GLU A 481 -3.415 18.245 -6.765 1.00 0.00 O ATOM 1456 OE2 GLU A 481 -5.140 18.924 -7.869 1.00 0.00 O ATOM 0 H GLU A 481 -3.247 17.607 -5.294 1.00 0.00 H new ATOM 0 HA GLU A 481 -4.797 17.704 -2.937 1.00 0.00 H new ATOM 0 HB2 GLU A 481 -6.704 17.221 -4.490 1.00 0.00 H new ATOM 0 HB3 GLU A 481 -5.800 18.699 -4.749 1.00 0.00 H new ATOM 0 HG2 GLU A 481 -5.075 16.234 -6.279 1.00 0.00 H new ATOM 0 HG3 GLU A 481 -6.485 17.163 -6.747 1.00 0.00 H new ATOM 1463 N SER A 482 -4.191 14.744 -4.235 1.00 0.00 N ATOM 1464 CA SER A 482 -4.211 13.339 -3.872 1.00 0.00 C ATOM 1465 C SER A 482 -3.430 13.133 -2.583 1.00 0.00 C ATOM 1466 O SER A 482 -3.859 12.383 -1.713 1.00 0.00 O ATOM 1467 CB SER A 482 -3.665 12.443 -4.987 1.00 0.00 C ATOM 1468 OG SER A 482 -4.474 12.521 -6.145 1.00 0.00 O ATOM 0 H SER A 482 -3.668 14.963 -5.083 1.00 0.00 H new ATOM 0 HA SER A 482 -5.250 13.048 -3.718 1.00 0.00 H new ATOM 0 HB2 SER A 482 -2.645 12.741 -5.231 1.00 0.00 H new ATOM 0 HB3 SER A 482 -3.621 11.411 -4.639 1.00 0.00 H new ATOM 0 HG SER A 482 -4.278 11.762 -6.733 1.00 0.00 H new ATOM 1474 N LEU A 483 -2.298 13.833 -2.446 1.00 0.00 N ATOM 1475 CA LEU A 483 -1.524 13.755 -1.215 1.00 0.00 C ATOM 1476 C LEU A 483 -2.320 14.302 -0.044 1.00 0.00 C ATOM 1477 O LEU A 483 -2.396 13.668 0.979 1.00 0.00 O ATOM 1478 CB LEU A 483 -0.135 14.450 -1.290 1.00 0.00 C ATOM 1479 CG LEU A 483 1.003 13.746 -2.072 1.00 0.00 C ATOM 1480 CD1 LEU A 483 1.204 12.306 -1.615 1.00 0.00 C ATOM 1481 CD2 LEU A 483 0.810 13.825 -3.568 1.00 0.00 C ATOM 0 H LEU A 483 -1.908 14.447 -3.161 1.00 0.00 H new ATOM 0 HA LEU A 483 -1.324 12.694 -1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 483 -0.281 15.435 -1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 483 0.213 14.607 -0.269 1.00 0.00 H new ATOM 0 HG LEU A 483 1.916 14.294 -1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 483 2.011 11.851 -2.190 1.00 0.00 H new ATOM 0 HD12 LEU A 483 1.461 12.293 -0.556 1.00 0.00 H new ATOM 0 HD13 LEU A 483 0.284 11.743 -1.772 1.00 0.00 H new ATOM 0 HD21 LEU A 483 1.634 13.317 -4.069 1.00 0.00 H new ATOM 0 HD22 LEU A 483 -0.130 13.345 -3.839 1.00 0.00 H new ATOM 0 HD23 LEU A 483 0.787 14.870 -3.877 1.00 0.00 H new ATOM 1493 N LYS A 484 -2.954 15.455 -0.229 1.00 0.00 N ATOM 1494 CA LYS A 484 -3.742 16.110 0.827 1.00 0.00 C ATOM 1495 C LYS A 484 -4.807 15.157 1.374 1.00 0.00 C ATOM 1496 O LYS A 484 -4.959 15.004 2.595 1.00 0.00 O ATOM 1497 CB LYS A 484 -4.398 17.387 0.271 1.00 0.00 C ATOM 1498 CG LYS A 484 -5.106 18.255 1.310 1.00 0.00 C ATOM 1499 CD LYS A 484 -5.696 19.527 0.689 1.00 0.00 C ATOM 1500 CE LYS A 484 -4.620 20.420 0.062 1.00 0.00 C ATOM 1501 NZ LYS A 484 -5.186 21.673 -0.491 1.00 0.00 N ATOM 0 H LYS A 484 -2.941 15.967 -1.111 1.00 0.00 H new ATOM 0 HA LYS A 484 -3.076 16.381 1.646 1.00 0.00 H new ATOM 0 HB2 LYS A 484 -3.632 17.987 -0.220 1.00 0.00 H new ATOM 0 HB3 LYS A 484 -5.119 17.103 -0.495 1.00 0.00 H new ATOM 0 HG2 LYS A 484 -5.902 17.679 1.782 1.00 0.00 H new ATOM 0 HG3 LYS A 484 -4.401 18.528 2.095 1.00 0.00 H new ATOM 0 HD2 LYS A 484 -6.426 19.252 -0.072 1.00 0.00 H new ATOM 0 HD3 LYS A 484 -6.230 20.089 1.455 1.00 0.00 H new ATOM 0 HE2 LYS A 484 -3.869 20.663 0.813 1.00 0.00 H new ATOM 0 HE3 LYS A 484 -4.112 19.872 -0.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 484 -4.423 22.246 -0.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 484 -5.884 21.443 -1.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 484 -5.649 22.210 0.270 1.00 0.00 H new ATOM 1515 N GLY A 485 -5.497 14.492 0.469 1.00 0.00 N ATOM 1516 CA GLY A 485 -6.506 13.542 0.851 1.00 0.00 C ATOM 1517 C GLY A 485 -5.910 12.314 1.513 1.00 0.00 C ATOM 1518 O GLY A 485 -6.403 11.871 2.559 1.00 0.00 O ATOM 0 H GLY A 485 -5.372 14.597 -0.538 1.00 0.00 H new ATOM 0 HA2 GLY A 485 -7.210 14.016 1.535 1.00 0.00 H new ATOM 0 HA3 GLY A 485 -7.072 13.240 -0.030 1.00 0.00 H new ATOM 1522 N LEU A 486 -4.831 11.801 0.931 1.00 0.00 N ATOM 1523 CA LEU A 486 -4.156 10.591 1.406 1.00 0.00 C ATOM 1524 C LEU A 486 -3.583 10.830 2.823 1.00 0.00 C ATOM 1525 O LEU A 486 -3.727 9.980 3.708 1.00 0.00 O ATOM 1526 CB LEU A 486 -3.031 10.213 0.412 1.00 0.00 C ATOM 1527 CG LEU A 486 -2.740 8.714 0.181 1.00 0.00 C ATOM 1528 CD1 LEU A 486 -1.635 8.542 -0.842 1.00 0.00 C ATOM 1529 CD2 LEU A 486 -2.377 7.996 1.462 1.00 0.00 C ATOM 0 H LEU A 486 -4.394 12.215 0.108 1.00 0.00 H new ATOM 0 HA LEU A 486 -4.868 9.767 1.462 1.00 0.00 H new ATOM 0 HB2 LEU A 486 -3.274 10.658 -0.553 1.00 0.00 H new ATOM 0 HB3 LEU A 486 -2.110 10.683 0.756 1.00 0.00 H new ATOM 0 HG LEU A 486 -3.658 8.264 -0.197 1.00 0.00 H new ATOM 0 HD11 LEU A 486 -1.442 7.480 -0.994 1.00 0.00 H new ATOM 0 HD12 LEU A 486 -1.940 8.994 -1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 486 -0.728 9.028 -0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 486 -2.182 6.945 1.247 1.00 0.00 H new ATOM 0 HD22 LEU A 486 -1.485 8.450 1.894 1.00 0.00 H new ATOM 0 HD23 LEU A 486 -3.203 8.074 2.169 1.00 0.00 H new ATOM 1541 N TYR A 487 -2.957 11.998 3.027 1.00 0.00 N ATOM 1542 CA TYR A 487 -2.411 12.396 4.334 1.00 0.00 C ATOM 1543 C TYR A 487 -3.486 12.383 5.399 1.00 0.00 C ATOM 1544 O TYR A 487 -3.259 11.918 6.523 1.00 0.00 O ATOM 1545 CB TYR A 487 -1.774 13.795 4.281 1.00 0.00 C ATOM 1546 CG TYR A 487 -0.330 13.848 3.810 1.00 0.00 C ATOM 1547 CD1 TYR A 487 0.031 13.468 2.535 1.00 0.00 C ATOM 1548 CD2 TYR A 487 0.663 14.323 4.648 1.00 0.00 C ATOM 1549 CE1 TYR A 487 1.327 13.554 2.103 1.00 0.00 C ATOM 1550 CE2 TYR A 487 1.974 14.408 4.226 1.00 0.00 C ATOM 1551 CZ TYR A 487 2.299 14.023 2.948 1.00 0.00 C ATOM 1552 OH TYR A 487 3.599 14.124 2.505 1.00 0.00 O ATOM 0 H TYR A 487 -2.815 12.692 2.293 1.00 0.00 H new ATOM 0 HA TYR A 487 -1.640 11.668 4.587 1.00 0.00 H new ATOM 0 HB2 TYR A 487 -2.374 14.422 3.622 1.00 0.00 H new ATOM 0 HB3 TYR A 487 -1.828 14.236 5.276 1.00 0.00 H new ATOM 0 HD1 TYR A 487 -0.726 13.094 1.862 1.00 0.00 H new ATOM 0 HD2 TYR A 487 0.407 14.633 5.651 1.00 0.00 H new ATOM 0 HE1 TYR A 487 1.583 13.253 1.098 1.00 0.00 H new ATOM 0 HE2 TYR A 487 2.739 14.774 4.895 1.00 0.00 H new ATOM 0 HH TYR A 487 4.164 14.474 3.225 1.00 0.00 H new ATOM 1562 N ARG A 488 -4.664 12.891 5.050 1.00 0.00 N ATOM 1563 CA ARG A 488 -5.772 12.897 5.980 1.00 0.00 C ATOM 1564 C ARG A 488 -6.260 11.504 6.278 1.00 0.00 C ATOM 1565 O ARG A 488 -6.488 11.175 7.422 1.00 0.00 O ATOM 1566 CB ARG A 488 -6.933 13.768 5.529 1.00 0.00 C ATOM 1567 CG ARG A 488 -6.681 15.256 5.628 1.00 0.00 C ATOM 1568 CD ARG A 488 -7.990 16.020 5.520 1.00 0.00 C ATOM 1569 NE ARG A 488 -8.962 15.551 6.540 1.00 0.00 N ATOM 1570 CZ ARG A 488 -10.178 16.064 6.769 1.00 0.00 C ATOM 1571 NH1 ARG A 488 -10.531 17.239 6.259 1.00 0.00 N ATOM 1572 NH2 ARG A 488 -11.013 15.426 7.572 1.00 0.00 N ATOM 0 H ARG A 488 -4.868 13.299 4.138 1.00 0.00 H new ATOM 0 HA ARG A 488 -5.375 13.336 6.895 1.00 0.00 H new ATOM 0 HB2 ARG A 488 -7.174 13.522 4.495 1.00 0.00 H new ATOM 0 HB3 ARG A 488 -7.809 13.521 6.128 1.00 0.00 H new ATOM 0 HG2 ARG A 488 -6.194 15.487 6.575 1.00 0.00 H new ATOM 0 HG3 ARG A 488 -6.002 15.570 4.835 1.00 0.00 H new ATOM 0 HD2 ARG A 488 -7.805 17.086 5.651 1.00 0.00 H new ATOM 0 HD3 ARG A 488 -8.411 15.889 4.523 1.00 0.00 H new ATOM 0 HE ARG A 488 -8.677 14.763 7.122 1.00 0.00 H new ATOM 0 HH11 ARG A 488 -9.872 17.764 5.684 1.00 0.00 H new ATOM 0 HH12 ARG A 488 -11.461 17.616 6.443 1.00 0.00 H new ATOM 0 HH21 ARG A 488 -10.729 14.550 8.011 1.00 0.00 H new ATOM 0 HH22 ARG A 488 -11.941 15.810 7.752 1.00 0.00 H new ATOM 1586 N ILE A 489 -6.399 10.690 5.245 1.00 0.00 N ATOM 1587 CA ILE A 489 -6.877 9.320 5.404 1.00 0.00 C ATOM 1588 C ILE A 489 -5.927 8.515 6.301 1.00 0.00 C ATOM 1589 O ILE A 489 -6.357 7.897 7.280 1.00 0.00 O ATOM 1590 CB ILE A 489 -7.081 8.611 4.029 1.00 0.00 C ATOM 1591 CG1 ILE A 489 -8.150 9.343 3.206 1.00 0.00 C ATOM 1592 CG2 ILE A 489 -7.466 7.154 4.221 1.00 0.00 C ATOM 1593 CD1 ILE A 489 -8.388 8.761 1.825 1.00 0.00 C ATOM 0 H ILE A 489 -6.188 10.952 4.282 1.00 0.00 H new ATOM 0 HA ILE A 489 -7.852 9.368 5.889 1.00 0.00 H new ATOM 0 HB ILE A 489 -6.137 8.643 3.486 1.00 0.00 H new ATOM 0 HG12 ILE A 489 -9.089 9.329 3.759 1.00 0.00 H new ATOM 0 HG13 ILE A 489 -7.857 10.388 3.101 1.00 0.00 H new ATOM 0 HG21 ILE A 489 -7.602 6.682 3.248 1.00 0.00 H new ATOM 0 HG22 ILE A 489 -6.676 6.638 4.767 1.00 0.00 H new ATOM 0 HG23 ILE A 489 -8.396 7.095 4.786 1.00 0.00 H new ATOM 0 HD11 ILE A 489 -9.158 9.339 1.314 1.00 0.00 H new ATOM 0 HD12 ILE A 489 -7.463 8.800 1.249 1.00 0.00 H new ATOM 0 HD13 ILE A 489 -8.714 7.725 1.918 1.00 0.00 H new ATOM 1605 N MET A 490 -4.644 8.598 6.018 1.00 0.00 N ATOM 1606 CA MET A 490 -3.643 7.880 6.799 1.00 0.00 C ATOM 1607 C MET A 490 -3.608 8.364 8.235 1.00 0.00 C ATOM 1608 O MET A 490 -3.654 7.557 9.169 1.00 0.00 O ATOM 1609 CB MET A 490 -2.261 8.014 6.181 1.00 0.00 C ATOM 1610 CG MET A 490 -2.033 7.182 4.934 1.00 0.00 C ATOM 1611 SD MET A 490 -2.058 5.413 5.270 1.00 0.00 S ATOM 1612 CE MET A 490 -1.672 4.753 3.653 1.00 0.00 C ATOM 0 H MET A 490 -4.263 9.155 5.253 1.00 0.00 H new ATOM 0 HA MET A 490 -3.931 6.829 6.793 1.00 0.00 H new ATOM 0 HB2 MET A 490 -2.089 9.062 5.937 1.00 0.00 H new ATOM 0 HB3 MET A 490 -1.517 7.734 6.927 1.00 0.00 H new ATOM 0 HG2 MET A 490 -2.801 7.419 4.198 1.00 0.00 H new ATOM 0 HG3 MET A 490 -1.074 7.451 4.492 1.00 0.00 H new ATOM 0 HE1 MET A 490 -2.456 4.061 3.346 1.00 0.00 H new ATOM 0 HE2 MET A 490 -1.606 5.569 2.933 1.00 0.00 H new ATOM 0 HE3 MET A 490 -0.719 4.226 3.693 1.00 0.00 H new ATOM 1622 N GLY A 491 -3.597 9.675 8.419 1.00 0.00 N ATOM 1623 CA GLY A 491 -3.544 10.234 9.758 1.00 0.00 C ATOM 1624 C GLY A 491 -4.832 9.984 10.546 1.00 0.00 C ATOM 1625 O GLY A 491 -4.830 9.985 11.778 1.00 0.00 O ATOM 0 H GLY A 491 -3.624 10.364 7.667 1.00 0.00 H new ATOM 0 HA2 GLY A 491 -2.702 9.800 10.297 1.00 0.00 H new ATOM 0 HA3 GLY A 491 -3.363 11.307 9.694 1.00 0.00 H new ATOM 1629 N ASN A 492 -5.916 9.709 9.828 1.00 0.00 N ATOM 1630 CA ASN A 492 -7.236 9.478 10.430 1.00 0.00 C ATOM 1631 C ASN A 492 -7.335 8.033 10.957 1.00 0.00 C ATOM 1632 O ASN A 492 -8.367 7.611 11.512 1.00 0.00 O ATOM 1633 CB ASN A 492 -8.331 9.736 9.376 1.00 0.00 C ATOM 1634 CG ASN A 492 -9.705 10.042 9.952 1.00 0.00 C ATOM 1635 OD1 ASN A 492 -10.027 11.202 10.212 1.00 0.00 O ATOM 1636 ND2 ASN A 492 -10.529 9.040 10.125 1.00 0.00 N ATOM 0 H ASN A 492 -5.910 9.639 8.810 1.00 0.00 H new ATOM 0 HA ASN A 492 -7.374 10.161 11.268 1.00 0.00 H new ATOM 0 HB2 ASN A 492 -8.021 10.570 8.746 1.00 0.00 H new ATOM 0 HB3 ASN A 492 -8.409 8.861 8.730 1.00 0.00 H new ATOM 0 HD21 ASN A 492 -11.468 9.209 10.485 1.00 0.00 H new ATOM 0 HD22 ASN A 492 -10.232 8.091 9.900 1.00 0.00 H new ATOM 1643 N GLY A 493 -6.266 7.275 10.794 1.00 0.00 N ATOM 1644 CA GLY A 493 -6.254 5.929 11.303 1.00 0.00 C ATOM 1645 C GLY A 493 -6.551 4.888 10.251 1.00 0.00 C ATOM 1646 O GLY A 493 -7.167 3.866 10.544 1.00 0.00 O ATOM 0 H GLY A 493 -5.411 7.568 10.320 1.00 0.00 H new ATOM 0 HA2 GLY A 493 -5.278 5.723 11.742 1.00 0.00 H new ATOM 0 HA3 GLY A 493 -6.988 5.845 12.104 1.00 0.00 H new ATOM 1650 N PHE A 494 -6.178 5.151 9.033 1.00 0.00 N ATOM 1651 CA PHE A 494 -6.352 4.183 7.969 1.00 0.00 C ATOM 1652 C PHE A 494 -5.011 3.636 7.529 1.00 0.00 C ATOM 1653 O PHE A 494 -3.974 4.196 7.873 1.00 0.00 O ATOM 1654 CB PHE A 494 -7.138 4.759 6.799 1.00 0.00 C ATOM 1655 CG PHE A 494 -8.568 5.030 7.149 1.00 0.00 C ATOM 1656 CD1 PHE A 494 -9.028 6.317 7.359 1.00 0.00 C ATOM 1657 CD2 PHE A 494 -9.442 3.984 7.293 1.00 0.00 C ATOM 1658 CE1 PHE A 494 -10.340 6.549 7.705 1.00 0.00 C ATOM 1659 CE2 PHE A 494 -10.752 4.202 7.638 1.00 0.00 C ATOM 1660 CZ PHE A 494 -11.206 5.488 7.846 1.00 0.00 C ATOM 0 H PHE A 494 -5.749 6.029 8.742 1.00 0.00 H new ATOM 0 HA PHE A 494 -6.944 3.356 8.361 1.00 0.00 H new ATOM 0 HB2 PHE A 494 -6.666 5.684 6.469 1.00 0.00 H new ATOM 0 HB3 PHE A 494 -7.098 4.064 5.961 1.00 0.00 H new ATOM 0 HD1 PHE A 494 -8.350 7.150 7.250 1.00 0.00 H new ATOM 0 HD2 PHE A 494 -9.095 2.974 7.133 1.00 0.00 H new ATOM 0 HE1 PHE A 494 -10.688 7.559 7.865 1.00 0.00 H new ATOM 0 HE2 PHE A 494 -11.428 3.367 7.747 1.00 0.00 H new ATOM 0 HZ PHE A 494 -12.237 5.662 8.118 1.00 0.00 H new ATOM 1670 N ALA A 495 -5.034 2.524 6.852 1.00 0.00 N ATOM 1671 CA ALA A 495 -3.842 1.875 6.365 1.00 0.00 C ATOM 1672 C ALA A 495 -4.085 1.430 4.943 1.00 0.00 C ATOM 1673 O ALA A 495 -5.224 1.129 4.579 1.00 0.00 O ATOM 1674 CB ALA A 495 -3.514 0.677 7.237 1.00 0.00 C ATOM 0 H ALA A 495 -5.895 2.031 6.617 1.00 0.00 H new ATOM 0 HA ALA A 495 -3.000 2.567 6.397 1.00 0.00 H new ATOM 0 HB1 ALA A 495 -2.612 0.191 6.864 1.00 0.00 H new ATOM 0 HB2 ALA A 495 -3.350 1.008 8.263 1.00 0.00 H new ATOM 0 HB3 ALA A 495 -4.344 -0.029 7.212 1.00 0.00 H new ATOM 1680 N GLY A 496 -3.055 1.380 4.140 1.00 0.00 N ATOM 1681 CA GLY A 496 -3.247 1.014 2.771 1.00 0.00 C ATOM 1682 C GLY A 496 -2.648 -0.320 2.430 1.00 0.00 C ATOM 1683 O GLY A 496 -1.442 -0.475 2.430 1.00 0.00 O ATOM 0 H GLY A 496 -2.092 1.585 4.408 1.00 0.00 H new ATOM 0 HA2 GLY A 496 -4.315 0.993 2.553 1.00 0.00 H new ATOM 0 HA3 GLY A 496 -2.806 1.778 2.131 1.00 0.00 H new ATOM 1687 N CYS A 497 -3.473 -1.285 2.150 1.00 0.00 N ATOM 1688 CA CYS A 497 -2.985 -2.576 1.740 1.00 0.00 C ATOM 1689 C CYS A 497 -2.730 -2.556 0.234 1.00 0.00 C ATOM 1690 O CYS A 497 -3.658 -2.365 -0.571 1.00 0.00 O ATOM 1691 CB CYS A 497 -3.951 -3.703 2.164 1.00 0.00 C ATOM 1692 SG CYS A 497 -5.676 -3.480 1.663 1.00 0.00 S ATOM 0 H CYS A 497 -4.489 -1.206 2.197 1.00 0.00 H new ATOM 0 HA CYS A 497 -2.042 -2.788 2.244 1.00 0.00 H new ATOM 0 HB2 CYS A 497 -3.589 -4.643 1.749 1.00 0.00 H new ATOM 0 HB3 CYS A 497 -3.916 -3.799 3.249 1.00 0.00 H new ATOM 0 HG CYS A 497 -5.829 -2.296 1.149 1.00 0.00 H new ATOM 1698 N VAL A 498 -1.486 -2.710 -0.143 1.00 0.00 N ATOM 1699 CA VAL A 498 -1.096 -2.609 -1.520 1.00 0.00 C ATOM 1700 C VAL A 498 -0.909 -3.987 -2.092 1.00 0.00 C ATOM 1701 O VAL A 498 -0.069 -4.791 -1.612 1.00 0.00 O ATOM 1702 CB VAL A 498 0.210 -1.795 -1.689 1.00 0.00 C ATOM 1703 CG1 VAL A 498 0.579 -1.629 -3.159 1.00 0.00 C ATOM 1704 CG2 VAL A 498 0.096 -0.443 -1.009 1.00 0.00 C ATOM 0 H VAL A 498 -0.718 -2.909 0.498 1.00 0.00 H new ATOM 0 HA VAL A 498 -1.888 -2.085 -2.055 1.00 0.00 H new ATOM 0 HB VAL A 498 1.011 -2.356 -1.207 1.00 0.00 H new ATOM 0 HG11 VAL A 498 1.501 -1.053 -3.240 1.00 0.00 H new ATOM 0 HG12 VAL A 498 0.724 -2.610 -3.611 1.00 0.00 H new ATOM 0 HG13 VAL A 498 -0.223 -1.105 -3.679 1.00 0.00 H new ATOM 0 HG21 VAL A 498 1.026 0.110 -1.141 1.00 0.00 H new ATOM 0 HG22 VAL A 498 -0.727 0.119 -1.451 1.00 0.00 H new ATOM 0 HG23 VAL A 498 -0.093 -0.586 0.055 1.00 0.00 H new ATOM 1714 N HIS A 499 -1.671 -4.246 -3.106 1.00 0.00 N ATOM 1715 CA HIS A 499 -1.681 -5.503 -3.758 1.00 0.00 C ATOM 1716 C HIS A 499 -1.105 -5.384 -5.137 1.00 0.00 C ATOM 1717 O HIS A 499 -1.339 -4.380 -5.868 1.00 0.00 O ATOM 1718 CB HIS A 499 -3.095 -6.091 -3.794 1.00 0.00 C ATOM 1719 CG HIS A 499 -3.576 -6.542 -2.449 1.00 0.00 C ATOM 1720 ND1 HIS A 499 -4.307 -5.765 -1.574 1.00 0.00 N ATOM 1721 CD2 HIS A 499 -3.395 -7.723 -1.828 1.00 0.00 C ATOM 1722 CE1 HIS A 499 -4.531 -6.491 -0.476 1.00 0.00 C ATOM 1723 NE2 HIS A 499 -4.001 -7.687 -0.579 1.00 0.00 N ATOM 0 H HIS A 499 -2.318 -3.568 -3.509 1.00 0.00 H new ATOM 0 HA HIS A 499 -1.054 -6.190 -3.189 1.00 0.00 H new ATOM 0 HB2 HIS A 499 -3.783 -5.343 -4.188 1.00 0.00 H new ATOM 0 HB3 HIS A 499 -3.114 -6.936 -4.482 1.00 0.00 H new ATOM 0 HD1 HIS A 499 -4.620 -4.808 -1.737 1.00 0.00 H new ATOM 0 HD2 HIS A 499 -2.861 -8.568 -2.238 1.00 0.00 H new ATOM 0 HE1 HIS A 499 -5.078 -6.139 0.386 1.00 0.00 H new ATOM 1731 N PHE A 500 -0.346 -6.374 -5.475 1.00 0.00 N ATOM 1732 CA PHE A 500 0.327 -6.455 -6.725 1.00 0.00 C ATOM 1733 C PHE A 500 -0.426 -7.404 -7.620 1.00 0.00 C ATOM 1734 O PHE A 500 -0.846 -8.473 -7.164 1.00 0.00 O ATOM 1735 CB PHE A 500 1.730 -7.062 -6.546 1.00 0.00 C ATOM 1736 CG PHE A 500 2.715 -6.347 -5.649 1.00 0.00 C ATOM 1737 CD1 PHE A 500 3.898 -5.860 -6.169 1.00 0.00 C ATOM 1738 CD2 PHE A 500 2.494 -6.221 -4.289 1.00 0.00 C ATOM 1739 CE1 PHE A 500 4.830 -5.267 -5.362 1.00 0.00 C ATOM 1740 CE2 PHE A 500 3.423 -5.612 -3.478 1.00 0.00 C ATOM 1741 CZ PHE A 500 4.595 -5.141 -4.019 1.00 0.00 C ATOM 0 H PHE A 500 -0.173 -7.174 -4.867 1.00 0.00 H new ATOM 0 HA PHE A 500 0.391 -5.450 -7.142 1.00 0.00 H new ATOM 0 HB2 PHE A 500 1.607 -8.075 -6.163 1.00 0.00 H new ATOM 0 HB3 PHE A 500 2.183 -7.148 -7.534 1.00 0.00 H new ATOM 0 HD1 PHE A 500 4.090 -5.949 -7.228 1.00 0.00 H new ATOM 0 HD2 PHE A 500 1.581 -6.606 -3.859 1.00 0.00 H new ATOM 0 HE1 PHE A 500 5.753 -4.898 -5.785 1.00 0.00 H new ATOM 0 HE2 PHE A 500 3.232 -5.504 -2.420 1.00 0.00 H new ATOM 0 HZ PHE A 500 5.332 -4.671 -3.384 1.00 0.00 H new ATOM 1751 N PRO A 501 -0.669 -7.027 -8.877 1.00 0.00 N ATOM 1752 CA PRO A 501 -1.134 -7.976 -9.876 1.00 0.00 C ATOM 1753 C PRO A 501 -0.096 -9.105 -9.971 1.00 0.00 C ATOM 1754 O PRO A 501 1.130 -8.841 -9.926 1.00 0.00 O ATOM 1755 CB PRO A 501 -1.149 -7.150 -11.166 1.00 0.00 C ATOM 1756 CG PRO A 501 -1.317 -5.744 -10.708 1.00 0.00 C ATOM 1757 CD PRO A 501 -0.584 -5.652 -9.404 1.00 0.00 C ATOM 0 HA PRO A 501 -2.104 -8.426 -9.662 1.00 0.00 H new ATOM 0 HB2 PRO A 501 -0.224 -7.276 -11.728 1.00 0.00 H new ATOM 0 HB3 PRO A 501 -1.965 -7.454 -11.822 1.00 0.00 H new ATOM 0 HG2 PRO A 501 -0.909 -5.043 -11.437 1.00 0.00 H new ATOM 0 HG3 PRO A 501 -2.371 -5.496 -10.583 1.00 0.00 H new ATOM 0 HD2 PRO A 501 0.450 -5.337 -9.544 1.00 0.00 H new ATOM 0 HD3 PRO A 501 -1.048 -4.932 -8.730 1.00 0.00 H new ATOM 1846 N VAL A 508 4.732 -12.819 -5.718 1.00 0.00 N ATOM 1847 CA VAL A 508 4.989 -11.415 -5.955 1.00 0.00 C ATOM 1848 C VAL A 508 5.029 -10.677 -4.617 1.00 0.00 C ATOM 1849 O VAL A 508 5.762 -9.688 -4.463 1.00 0.00 O ATOM 1850 CB VAL A 508 3.950 -10.792 -6.951 1.00 0.00 C ATOM 1851 CG1 VAL A 508 2.529 -10.784 -6.395 1.00 0.00 C ATOM 1852 CG2 VAL A 508 4.384 -9.407 -7.416 1.00 0.00 C ATOM 0 HA VAL A 508 5.961 -11.307 -6.437 1.00 0.00 H new ATOM 0 HB VAL A 508 3.930 -11.443 -7.825 1.00 0.00 H new ATOM 0 HG11 VAL A 508 1.854 -10.342 -7.128 1.00 0.00 H new ATOM 0 HG12 VAL A 508 2.215 -11.806 -6.183 1.00 0.00 H new ATOM 0 HG13 VAL A 508 2.501 -10.198 -5.476 1.00 0.00 H new ATOM 0 HG21 VAL A 508 3.641 -9.005 -8.105 1.00 0.00 H new ATOM 0 HG22 VAL A 508 4.475 -8.746 -6.554 1.00 0.00 H new ATOM 0 HG23 VAL A 508 5.347 -9.478 -7.922 1.00 0.00 H new ATOM 1862 N ARG A 509 4.287 -11.249 -3.633 1.00 0.00 N ATOM 1863 CA ARG A 509 4.225 -10.788 -2.246 1.00 0.00 C ATOM 1864 C ARG A 509 3.421 -9.524 -2.171 1.00 0.00 C ATOM 1865 O ARG A 509 3.065 -8.970 -3.200 1.00 0.00 O ATOM 1866 CB ARG A 509 5.636 -10.688 -1.654 1.00 0.00 C ATOM 1867 CG ARG A 509 6.335 -12.022 -1.816 1.00 0.00 C ATOM 1868 CD ARG A 509 7.829 -11.943 -1.745 1.00 0.00 C ATOM 1869 NE ARG A 509 8.395 -13.088 -2.469 1.00 0.00 N ATOM 1870 CZ ARG A 509 9.624 -13.575 -2.359 1.00 0.00 C ATOM 1871 NH1 ARG A 509 10.463 -13.100 -1.439 1.00 0.00 N ATOM 1872 NH2 ARG A 509 9.998 -14.566 -3.156 1.00 0.00 N ATOM 0 H ARG A 509 3.702 -12.068 -3.802 1.00 0.00 H new ATOM 0 HA ARG A 509 3.704 -11.512 -1.620 1.00 0.00 H new ATOM 0 HB2 ARG A 509 6.201 -9.904 -2.158 1.00 0.00 H new ATOM 0 HB3 ARG A 509 5.583 -10.416 -0.600 1.00 0.00 H new ATOM 0 HG2 ARG A 509 5.981 -12.702 -1.041 1.00 0.00 H new ATOM 0 HG3 ARG A 509 6.050 -12.455 -2.775 1.00 0.00 H new ATOM 0 HD2 ARG A 509 8.179 -11.008 -2.183 1.00 0.00 H new ATOM 0 HD3 ARG A 509 8.159 -11.952 -0.706 1.00 0.00 H new ATOM 0 HE ARG A 509 7.776 -13.560 -3.128 1.00 0.00 H new ATOM 0 HH11 ARG A 509 10.162 -12.355 -0.811 1.00 0.00 H new ATOM 0 HH12 ARG A 509 11.406 -13.482 -1.363 1.00 0.00 H new ATOM 0 HH21 ARG A 509 9.344 -14.943 -3.842 1.00 0.00 H new ATOM 0 HH22 ARG A 509 10.940 -14.951 -3.083 1.00 0.00 H new ATOM 1886 N VAL A 510 3.076 -9.085 -1.004 1.00 0.00 N ATOM 1887 CA VAL A 510 2.188 -7.923 -0.924 1.00 0.00 C ATOM 1888 C VAL A 510 2.765 -6.940 0.034 1.00 0.00 C ATOM 1889 O VAL A 510 3.646 -7.303 0.762 1.00 0.00 O ATOM 1890 CB VAL A 510 0.738 -8.333 -0.520 1.00 0.00 C ATOM 1891 CG1 VAL A 510 0.056 -9.102 -1.646 1.00 0.00 C ATOM 1892 CG2 VAL A 510 0.774 -9.192 0.722 1.00 0.00 C ATOM 0 H VAL A 510 3.371 -9.481 -0.112 1.00 0.00 H new ATOM 0 HA VAL A 510 2.113 -7.463 -1.909 1.00 0.00 H new ATOM 0 HB VAL A 510 0.170 -7.424 -0.323 1.00 0.00 H new ATOM 0 HG11 VAL A 510 -0.953 -9.377 -1.340 1.00 0.00 H new ATOM 0 HG12 VAL A 510 0.007 -8.476 -2.537 1.00 0.00 H new ATOM 0 HG13 VAL A 510 0.626 -10.004 -1.868 1.00 0.00 H new ATOM 0 HG21 VAL A 510 -0.242 -9.475 0.998 1.00 0.00 H new ATOM 0 HG22 VAL A 510 1.360 -10.090 0.526 1.00 0.00 H new ATOM 0 HG23 VAL A 510 1.230 -8.632 1.539 1.00 0.00 H new ATOM 1902 N LEU A 511 2.323 -5.699 0.034 1.00 0.00 N ATOM 1903 CA LEU A 511 2.910 -4.767 0.973 1.00 0.00 C ATOM 1904 C LEU A 511 1.850 -3.898 1.585 1.00 0.00 C ATOM 1905 O LEU A 511 0.783 -3.725 1.012 1.00 0.00 O ATOM 1906 CB LEU A 511 4.063 -3.931 0.318 1.00 0.00 C ATOM 1907 CG LEU A 511 3.752 -2.821 -0.714 1.00 0.00 C ATOM 1908 CD1 LEU A 511 3.296 -1.536 -0.035 1.00 0.00 C ATOM 1909 CD2 LEU A 511 4.986 -2.534 -1.544 1.00 0.00 C ATOM 0 H LEU A 511 1.595 -5.325 -0.574 1.00 0.00 H new ATOM 0 HA LEU A 511 3.370 -5.339 1.779 1.00 0.00 H new ATOM 0 HB2 LEU A 511 4.621 -3.465 1.130 1.00 0.00 H new ATOM 0 HB3 LEU A 511 4.736 -4.639 -0.167 1.00 0.00 H new ATOM 0 HG LEU A 511 2.943 -3.177 -1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 511 3.087 -0.779 -0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 511 2.393 -1.731 0.543 1.00 0.00 H new ATOM 0 HD13 LEU A 511 4.082 -1.177 0.630 1.00 0.00 H new ATOM 0 HD21 LEU A 511 4.763 -1.752 -2.270 1.00 0.00 H new ATOM 0 HD22 LEU A 511 5.795 -2.204 -0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 511 5.290 -3.440 -2.069 1.00 0.00 H new ATOM 1921 N MET A 512 2.092 -3.384 2.749 1.00 0.00 N ATOM 1922 CA MET A 512 1.162 -2.423 3.298 1.00 0.00 C ATOM 1923 C MET A 512 1.823 -1.102 3.480 1.00 0.00 C ATOM 1924 O MET A 512 2.891 -1.020 4.061 1.00 0.00 O ATOM 1925 CB MET A 512 0.480 -2.879 4.589 1.00 0.00 C ATOM 1926 CG MET A 512 -0.290 -1.745 5.281 1.00 0.00 C ATOM 1927 SD MET A 512 -1.270 -2.253 6.689 1.00 0.00 S ATOM 1928 CE MET A 512 -2.524 -3.236 5.884 1.00 0.00 C ATOM 0 H MET A 512 2.901 -3.599 3.332 1.00 0.00 H new ATOM 0 HA MET A 512 0.361 -2.329 2.565 1.00 0.00 H new ATOM 0 HB2 MET A 512 -0.206 -3.695 4.364 1.00 0.00 H new ATOM 0 HB3 MET A 512 1.231 -3.273 5.273 1.00 0.00 H new ATOM 0 HG2 MET A 512 0.422 -0.987 5.607 1.00 0.00 H new ATOM 0 HG3 MET A 512 -0.947 -1.272 4.551 1.00 0.00 H new ATOM 0 HE1 MET A 512 -3.337 -3.433 6.583 1.00 0.00 H new ATOM 0 HE2 MET A 512 -2.911 -2.695 5.020 1.00 0.00 H new ATOM 0 HE3 MET A 512 -2.091 -4.181 5.556 1.00 0.00 H new ATOM 1938 N LEU A 513 1.184 -0.087 2.992 1.00 0.00 N ATOM 1939 CA LEU A 513 1.679 1.232 3.069 1.00 0.00 C ATOM 1940 C LEU A 513 1.070 1.917 4.273 1.00 0.00 C ATOM 1941 O LEU A 513 -0.154 1.873 4.492 1.00 0.00 O ATOM 1942 CB LEU A 513 1.344 1.995 1.788 1.00 0.00 C ATOM 1943 CG LEU A 513 1.970 3.378 1.655 1.00 0.00 C ATOM 1944 CD1 LEU A 513 3.472 3.263 1.689 1.00 0.00 C ATOM 1945 CD2 LEU A 513 1.525 4.054 0.374 1.00 0.00 C ATOM 0 H LEU A 513 0.283 -0.164 2.520 1.00 0.00 H new ATOM 0 HA LEU A 513 2.763 1.213 3.177 1.00 0.00 H new ATOM 0 HB2 LEU A 513 1.658 1.392 0.936 1.00 0.00 H new ATOM 0 HB3 LEU A 513 0.261 2.100 1.723 1.00 0.00 H new ATOM 0 HG LEU A 513 1.637 3.991 2.493 1.00 0.00 H new ATOM 0 HD11 LEU A 513 3.915 4.254 1.594 1.00 0.00 H new ATOM 0 HD12 LEU A 513 3.781 2.817 2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 513 3.808 2.635 0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 513 1.986 5.039 0.303 1.00 0.00 H new ATOM 0 HD22 LEU A 513 1.828 3.449 -0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 513 0.440 4.160 0.377 1.00 0.00 H new ATOM 1957 N LEU A 514 1.921 2.498 5.048 1.00 0.00 N ATOM 1958 CA LEU A 514 1.576 3.201 6.239 1.00 0.00 C ATOM 1959 C LEU A 514 2.303 4.523 6.237 1.00 0.00 C ATOM 1960 O LEU A 514 3.387 4.643 5.685 1.00 0.00 O ATOM 1961 CB LEU A 514 1.968 2.374 7.468 1.00 0.00 C ATOM 1962 CG LEU A 514 1.082 1.161 7.784 1.00 0.00 C ATOM 1963 CD1 LEU A 514 1.724 0.291 8.852 1.00 0.00 C ATOM 1964 CD2 LEU A 514 -0.279 1.629 8.266 1.00 0.00 C ATOM 0 H LEU A 514 2.924 2.496 4.861 1.00 0.00 H new ATOM 0 HA LEU A 514 0.500 3.373 6.277 1.00 0.00 H new ATOM 0 HB2 LEU A 514 2.991 2.024 7.332 1.00 0.00 H new ATOM 0 HB3 LEU A 514 1.969 3.032 8.337 1.00 0.00 H new ATOM 0 HG LEU A 514 0.967 0.573 6.874 1.00 0.00 H new ATOM 0 HD11 LEU A 514 1.080 -0.563 9.061 1.00 0.00 H new ATOM 0 HD12 LEU A 514 2.693 -0.063 8.499 1.00 0.00 H new ATOM 0 HD13 LEU A 514 1.860 0.874 9.763 1.00 0.00 H new ATOM 0 HD21 LEU A 514 -0.903 0.764 8.489 1.00 0.00 H new ATOM 0 HD22 LEU A 514 -0.159 2.231 9.167 1.00 0.00 H new ATOM 0 HD23 LEU A 514 -0.754 2.229 7.489 1.00 0.00 H new ATOM 1976 N TYR A 515 1.724 5.497 6.813 1.00 0.00 N ATOM 1977 CA TYR A 515 2.313 6.801 6.844 1.00 0.00 C ATOM 1978 C TYR A 515 2.985 7.047 8.178 1.00 0.00 C ATOM 1979 O TYR A 515 2.347 6.949 9.224 1.00 0.00 O ATOM 1980 CB TYR A 515 1.230 7.845 6.576 1.00 0.00 C ATOM 1981 CG TYR A 515 1.661 9.275 6.749 1.00 0.00 C ATOM 1982 CD1 TYR A 515 1.034 10.087 7.681 1.00 0.00 C ATOM 1983 CD2 TYR A 515 2.692 9.809 5.998 1.00 0.00 C ATOM 1984 CE1 TYR A 515 1.418 11.389 7.864 1.00 0.00 C ATOM 1985 CE2 TYR A 515 3.091 11.109 6.165 1.00 0.00 C ATOM 1986 CZ TYR A 515 2.452 11.903 7.104 1.00 0.00 C ATOM 1987 OH TYR A 515 2.848 13.209 7.282 1.00 0.00 O ATOM 0 H TYR A 515 0.822 5.428 7.284 1.00 0.00 H new ATOM 0 HA TYR A 515 3.078 6.875 6.071 1.00 0.00 H new ATOM 0 HB2 TYR A 515 0.865 7.713 5.557 1.00 0.00 H new ATOM 0 HB3 TYR A 515 0.390 7.653 7.243 1.00 0.00 H new ATOM 0 HD1 TYR A 515 0.226 9.685 8.275 1.00 0.00 H new ATOM 0 HD2 TYR A 515 3.191 9.190 5.267 1.00 0.00 H new ATOM 0 HE1 TYR A 515 0.918 12.008 8.595 1.00 0.00 H new ATOM 0 HE2 TYR A 515 3.897 11.512 5.570 1.00 0.00 H new ATOM 0 HH TYR A 515 2.620 13.731 6.485 1.00 0.00 H new ATOM 1997 N SER A 516 4.261 7.332 8.155 1.00 0.00 N ATOM 1998 CA SER A 516 4.917 7.686 9.360 1.00 0.00 C ATOM 1999 C SER A 516 4.912 9.196 9.417 1.00 0.00 C ATOM 2000 O SER A 516 5.598 9.885 8.611 1.00 0.00 O ATOM 2001 CB SER A 516 6.354 7.131 9.383 1.00 0.00 C ATOM 2002 OG SER A 516 7.020 7.436 10.607 1.00 0.00 O ATOM 0 H SER A 516 4.849 7.323 7.322 1.00 0.00 H new ATOM 0 HA SER A 516 4.410 7.263 10.227 1.00 0.00 H new ATOM 0 HB2 SER A 516 6.329 6.050 9.242 1.00 0.00 H new ATOM 0 HB3 SER A 516 6.918 7.548 8.549 1.00 0.00 H new ATOM 0 HG SER A 516 7.928 7.067 10.586 1.00 0.00 H new ATOM 2008 N SER A 517 4.116 9.703 10.329 1.00 0.00 N ATOM 2009 CA SER A 517 3.936 11.106 10.543 1.00 0.00 C ATOM 2010 C SER A 517 5.200 11.730 11.119 1.00 0.00 C ATOM 2011 O SER A 517 5.570 12.843 10.772 1.00 0.00 O ATOM 2012 CB SER A 517 2.760 11.282 11.490 1.00 0.00 C ATOM 2013 OG SER A 517 1.717 10.386 11.128 1.00 0.00 O ATOM 0 H SER A 517 3.561 9.125 10.959 1.00 0.00 H new ATOM 0 HA SER A 517 3.734 11.611 9.598 1.00 0.00 H new ATOM 0 HB2 SER A 517 3.075 11.093 12.516 1.00 0.00 H new ATOM 0 HB3 SER A 517 2.400 12.310 11.451 1.00 0.00 H new ATOM 0 HG SER A 517 1.522 10.480 10.172 1.00 0.00 H new ATOM 2019 N LYS A 518 5.884 10.971 11.959 1.00 0.00 N ATOM 2020 CA LYS A 518 7.085 11.443 12.632 1.00 0.00 C ATOM 2021 C LYS A 518 8.259 11.620 11.667 1.00 0.00 C ATOM 2022 O LYS A 518 9.106 12.494 11.860 1.00 0.00 O ATOM 2023 CB LYS A 518 7.452 10.515 13.794 1.00 0.00 C ATOM 2024 CG LYS A 518 7.697 9.060 13.396 1.00 0.00 C ATOM 2025 CD LYS A 518 8.011 8.188 14.600 1.00 0.00 C ATOM 2026 CE LYS A 518 6.837 8.112 15.565 1.00 0.00 C ATOM 2027 NZ LYS A 518 7.169 7.338 16.766 1.00 0.00 N ATOM 0 H LYS A 518 5.624 10.013 12.194 1.00 0.00 H new ATOM 0 HA LYS A 518 6.865 12.430 13.038 1.00 0.00 H new ATOM 0 HB2 LYS A 518 8.348 10.900 14.280 1.00 0.00 H new ATOM 0 HB3 LYS A 518 6.651 10.546 14.533 1.00 0.00 H new ATOM 0 HG2 LYS A 518 6.816 8.670 12.885 1.00 0.00 H new ATOM 0 HG3 LYS A 518 8.524 9.012 12.687 1.00 0.00 H new ATOM 0 HD2 LYS A 518 8.271 7.184 14.264 1.00 0.00 H new ATOM 0 HD3 LYS A 518 8.883 8.586 15.119 1.00 0.00 H new ATOM 0 HE2 LYS A 518 6.537 9.120 15.853 1.00 0.00 H new ATOM 0 HE3 LYS A 518 5.983 7.657 15.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 518 6.344 7.309 17.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 518 7.431 6.369 16.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 518 7.968 7.787 17.258 1.00 0.00 H new ATOM 2041 N LYS A 519 8.300 10.801 10.632 1.00 0.00 N ATOM 2042 CA LYS A 519 9.351 10.895 9.629 1.00 0.00 C ATOM 2043 C LYS A 519 8.863 11.691 8.419 1.00 0.00 C ATOM 2044 O LYS A 519 9.650 12.037 7.527 1.00 0.00 O ATOM 2045 CB LYS A 519 9.795 9.502 9.174 1.00 0.00 C ATOM 2046 CG LYS A 519 10.466 8.635 10.231 1.00 0.00 C ATOM 2047 CD LYS A 519 10.785 7.259 9.652 1.00 0.00 C ATOM 2048 CE LYS A 519 11.546 6.374 10.631 1.00 0.00 C ATOM 2049 NZ LYS A 519 11.749 5.007 10.084 1.00 0.00 N ATOM 0 H LYS A 519 7.618 10.062 10.462 1.00 0.00 H new ATOM 0 HA LYS A 519 10.200 11.408 10.081 1.00 0.00 H new ATOM 0 HB2 LYS A 519 8.922 8.970 8.797 1.00 0.00 H new ATOM 0 HB3 LYS A 519 10.484 9.618 8.337 1.00 0.00 H new ATOM 0 HG2 LYS A 519 11.382 9.114 10.578 1.00 0.00 H new ATOM 0 HG3 LYS A 519 9.812 8.532 11.097 1.00 0.00 H new ATOM 0 HD2 LYS A 519 9.856 6.765 9.367 1.00 0.00 H new ATOM 0 HD3 LYS A 519 11.374 7.379 8.743 1.00 0.00 H new ATOM 0 HE2 LYS A 519 12.513 6.825 10.855 1.00 0.00 H new ATOM 0 HE3 LYS A 519 10.997 6.313 11.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 519 12.270 4.430 10.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 519 10.825 4.569 9.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 519 12.294 5.064 9.200 1.00 0.00 H new ATOM 2063 N LYS A 520 7.550 11.961 8.402 1.00 0.00 N ATOM 2064 CA LYS A 520 6.863 12.677 7.314 1.00 0.00 C ATOM 2065 C LYS A 520 7.016 11.945 5.980 1.00 0.00 C ATOM 2066 O LYS A 520 7.058 12.572 4.905 1.00 0.00 O ATOM 2067 CB LYS A 520 7.342 14.141 7.205 1.00 0.00 C ATOM 2068 CG LYS A 520 6.975 15.022 8.398 1.00 0.00 C ATOM 2069 CD LYS A 520 5.463 15.110 8.578 1.00 0.00 C ATOM 2070 CE LYS A 520 5.087 16.031 9.726 1.00 0.00 C ATOM 2071 NZ LYS A 520 3.624 16.083 9.934 1.00 0.00 N ATOM 0 H LYS A 520 6.923 11.683 9.157 1.00 0.00 H new ATOM 0 HA LYS A 520 5.802 12.697 7.561 1.00 0.00 H new ATOM 0 HB2 LYS A 520 8.425 14.147 7.086 1.00 0.00 H new ATOM 0 HB3 LYS A 520 6.920 14.581 6.302 1.00 0.00 H new ATOM 0 HG2 LYS A 520 7.428 14.619 9.304 1.00 0.00 H new ATOM 0 HG3 LYS A 520 7.385 16.022 8.254 1.00 0.00 H new ATOM 0 HD2 LYS A 520 5.007 15.472 7.656 1.00 0.00 H new ATOM 0 HD3 LYS A 520 5.060 14.114 8.763 1.00 0.00 H new ATOM 0 HE2 LYS A 520 5.572 15.688 10.640 1.00 0.00 H new ATOM 0 HE3 LYS A 520 5.461 17.035 9.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 520 3.408 16.722 10.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 520 3.163 16.434 9.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 520 3.270 15.130 10.152 1.00 0.00 H new ATOM 2085 N ILE A 521 7.012 10.623 6.041 1.00 0.00 N ATOM 2086 CA ILE A 521 7.201 9.786 4.848 1.00 0.00 C ATOM 2087 C ILE A 521 6.343 8.559 4.915 1.00 0.00 C ATOM 2088 O ILE A 521 5.782 8.247 5.978 1.00 0.00 O ATOM 2089 CB ILE A 521 8.709 9.394 4.539 1.00 0.00 C ATOM 2090 CG1 ILE A 521 9.473 8.819 5.759 1.00 0.00 C ATOM 2091 CG2 ILE A 521 9.477 10.544 3.916 1.00 0.00 C ATOM 2092 CD1 ILE A 521 9.068 7.417 6.196 1.00 0.00 C ATOM 0 H ILE A 521 6.880 10.096 6.905 1.00 0.00 H new ATOM 0 HA ILE A 521 6.888 10.412 4.012 1.00 0.00 H new ATOM 0 HB ILE A 521 8.645 8.585 3.811 1.00 0.00 H new ATOM 0 HG12 ILE A 521 10.538 8.813 5.527 1.00 0.00 H new ATOM 0 HG13 ILE A 521 9.335 9.496 6.602 1.00 0.00 H new ATOM 0 HG21 ILE A 521 10.503 10.233 3.721 1.00 0.00 H new ATOM 0 HG22 ILE A 521 9.001 10.834 2.979 1.00 0.00 H new ATOM 0 HG23 ILE A 521 9.479 11.393 4.600 1.00 0.00 H new ATOM 0 HD11 ILE A 521 9.666 7.117 7.056 1.00 0.00 H new ATOM 0 HD12 ILE A 521 8.013 7.411 6.468 1.00 0.00 H new ATOM 0 HD13 ILE A 521 9.235 6.718 5.376 1.00 0.00 H new ATOM 2104 N PHE A 522 6.220 7.859 3.824 1.00 0.00 N ATOM 2105 CA PHE A 522 5.428 6.689 3.836 1.00 0.00 C ATOM 2106 C PHE A 522 6.333 5.486 3.990 1.00 0.00 C ATOM 2107 O PHE A 522 7.411 5.443 3.426 1.00 0.00 O ATOM 2108 CB PHE A 522 4.540 6.614 2.599 1.00 0.00 C ATOM 2109 CG PHE A 522 3.473 7.686 2.543 1.00 0.00 C ATOM 2110 CD1 PHE A 522 3.783 9.000 2.202 1.00 0.00 C ATOM 2111 CD2 PHE A 522 2.156 7.371 2.823 1.00 0.00 C ATOM 2112 CE1 PHE A 522 2.798 9.967 2.144 1.00 0.00 C ATOM 2113 CE2 PHE A 522 1.170 8.335 2.768 1.00 0.00 C ATOM 2114 CZ PHE A 522 1.491 9.634 2.428 1.00 0.00 C ATOM 0 H PHE A 522 6.657 8.084 2.930 1.00 0.00 H new ATOM 0 HA PHE A 522 4.746 6.708 4.686 1.00 0.00 H new ATOM 0 HB2 PHE A 522 5.166 6.691 1.710 1.00 0.00 H new ATOM 0 HB3 PHE A 522 4.060 5.636 2.567 1.00 0.00 H new ATOM 0 HD1 PHE A 522 4.806 9.266 1.980 1.00 0.00 H new ATOM 0 HD2 PHE A 522 1.896 6.357 3.088 1.00 0.00 H new ATOM 0 HE1 PHE A 522 3.052 10.982 1.877 1.00 0.00 H new ATOM 0 HE2 PHE A 522 0.146 8.073 2.991 1.00 0.00 H new ATOM 0 HZ PHE A 522 0.719 10.388 2.385 1.00 0.00 H new ATOM 2124 N MET A 523 5.922 4.564 4.783 1.00 0.00 N ATOM 2125 CA MET A 523 6.700 3.388 5.086 1.00 0.00 C ATOM 2126 C MET A 523 5.850 2.183 4.822 1.00 0.00 C ATOM 2127 O MET A 523 4.643 2.309 4.660 1.00 0.00 O ATOM 2128 CB MET A 523 7.133 3.388 6.564 1.00 0.00 C ATOM 2129 CG MET A 523 5.968 3.372 7.558 1.00 0.00 C ATOM 2130 SD MET A 523 6.498 3.286 9.287 1.00 0.00 S ATOM 2131 CE MET A 523 7.315 1.680 9.320 1.00 0.00 C ATOM 0 H MET A 523 5.019 4.594 5.256 1.00 0.00 H new ATOM 0 HA MET A 523 7.595 3.376 4.464 1.00 0.00 H new ATOM 0 HB2 MET A 523 7.764 2.518 6.746 1.00 0.00 H new ATOM 0 HB3 MET A 523 7.745 4.270 6.752 1.00 0.00 H new ATOM 0 HG2 MET A 523 5.366 4.269 7.415 1.00 0.00 H new ATOM 0 HG3 MET A 523 5.326 2.519 7.340 1.00 0.00 H new ATOM 0 HE1 MET A 523 7.393 1.333 10.350 1.00 0.00 H new ATOM 0 HE2 MET A 523 6.734 0.964 8.739 1.00 0.00 H new ATOM 0 HE3 MET A 523 8.313 1.770 8.891 1.00 0.00 H new ATOM 2141 N GLY A 524 6.437 1.048 4.764 1.00 0.00 N ATOM 2142 CA GLY A 524 5.662 -0.115 4.575 1.00 0.00 C ATOM 2143 C GLY A 524 6.455 -1.346 4.762 1.00 0.00 C ATOM 2144 O GLY A 524 7.656 -1.339 4.598 1.00 0.00 O ATOM 0 H GLY A 524 7.443 0.900 4.844 1.00 0.00 H new ATOM 0 HA2 GLY A 524 4.827 -0.112 5.276 1.00 0.00 H new ATOM 0 HA3 GLY A 524 5.236 -0.107 3.572 1.00 0.00 H new ATOM 2148 N LEU A 525 5.822 -2.369 5.178 1.00 0.00 N ATOM 2149 CA LEU A 525 6.454 -3.641 5.273 1.00 0.00 C ATOM 2150 C LEU A 525 5.814 -4.573 4.296 1.00 0.00 C ATOM 2151 O LEU A 525 4.580 -4.475 4.045 1.00 0.00 O ATOM 2152 CB LEU A 525 6.499 -4.217 6.700 1.00 0.00 C ATOM 2153 CG LEU A 525 7.503 -3.569 7.681 1.00 0.00 C ATOM 2154 CD1 LEU A 525 7.054 -2.180 8.118 1.00 0.00 C ATOM 2155 CD2 LEU A 525 7.722 -4.448 8.898 1.00 0.00 C ATOM 0 H LEU A 525 4.844 -2.359 5.467 1.00 0.00 H new ATOM 0 HA LEU A 525 7.505 -3.511 5.016 1.00 0.00 H new ATOM 0 HB2 LEU A 525 5.501 -4.135 7.131 1.00 0.00 H new ATOM 0 HB3 LEU A 525 6.730 -5.280 6.630 1.00 0.00 H new ATOM 0 HG LEU A 525 8.446 -3.466 7.145 1.00 0.00 H new ATOM 0 HD11 LEU A 525 7.787 -1.760 8.807 1.00 0.00 H new ATOM 0 HD12 LEU A 525 6.966 -1.534 7.244 1.00 0.00 H new ATOM 0 HD13 LEU A 525 6.087 -2.250 8.616 1.00 0.00 H new ATOM 0 HD21 LEU A 525 8.432 -3.968 9.571 1.00 0.00 H new ATOM 0 HD22 LEU A 525 6.774 -4.595 9.416 1.00 0.00 H new ATOM 0 HD23 LEU A 525 8.117 -5.414 8.583 1.00 0.00 H new ATOM 2167 N ILE A 526 6.626 -5.386 3.661 1.00 0.00 N ATOM 2168 CA ILE A 526 6.135 -6.334 2.709 1.00 0.00 C ATOM 2169 C ILE A 526 6.012 -7.714 3.335 1.00 0.00 C ATOM 2170 O ILE A 526 7.042 -8.356 3.635 1.00 0.00 O ATOM 2171 CB ILE A 526 7.104 -6.440 1.492 1.00 0.00 C ATOM 2172 CG1 ILE A 526 7.271 -5.072 0.815 1.00 0.00 C ATOM 2173 CG2 ILE A 526 6.676 -7.524 0.500 1.00 0.00 C ATOM 2174 CD1 ILE A 526 7.858 -5.128 -0.572 1.00 0.00 C ATOM 0 H ILE A 526 7.637 -5.403 3.794 1.00 0.00 H new ATOM 0 HA ILE A 526 5.155 -5.987 2.380 1.00 0.00 H new ATOM 0 HB ILE A 526 8.078 -6.748 1.871 1.00 0.00 H new ATOM 0 HG12 ILE A 526 6.297 -4.585 0.764 1.00 0.00 H new ATOM 0 HG13 ILE A 526 7.908 -4.447 1.440 1.00 0.00 H new ATOM 0 HG21 ILE A 526 7.383 -7.558 -0.329 1.00 0.00 H new ATOM 0 HG22 ILE A 526 6.659 -8.491 1.003 1.00 0.00 H new ATOM 0 HG23 ILE A 526 5.681 -7.296 0.119 1.00 0.00 H new ATOM 0 HD11 ILE A 526 7.940 -4.118 -0.973 1.00 0.00 H new ATOM 0 HD12 ILE A 526 8.847 -5.583 -0.530 1.00 0.00 H new ATOM 0 HD13 ILE A 526 7.212 -5.723 -1.217 1.00 0.00 H new ATOM 2186 N PRO A 527 4.777 -8.181 3.585 1.00 0.00 N ATOM 2187 CA PRO A 527 4.538 -9.548 3.949 1.00 0.00 C ATOM 2188 C PRO A 527 4.816 -10.485 2.771 1.00 0.00 C ATOM 2189 O PRO A 527 4.339 -10.267 1.587 1.00 0.00 O ATOM 2190 CB PRO A 527 3.050 -9.588 4.319 1.00 0.00 C ATOM 2191 CG PRO A 527 2.705 -8.177 4.607 1.00 0.00 C ATOM 2192 CD PRO A 527 3.545 -7.383 3.667 1.00 0.00 C ATOM 0 HA PRO A 527 5.185 -9.875 4.763 1.00 0.00 H new ATOM 0 HB2 PRO A 527 2.448 -9.986 3.502 1.00 0.00 H new ATOM 0 HB3 PRO A 527 2.873 -10.225 5.185 1.00 0.00 H new ATOM 0 HG2 PRO A 527 1.644 -7.988 4.446 1.00 0.00 H new ATOM 0 HG3 PRO A 527 2.921 -7.920 5.644 1.00 0.00 H new ATOM 0 HD2 PRO A 527 3.069 -7.272 2.693 1.00 0.00 H new ATOM 0 HD3 PRO A 527 3.737 -6.379 4.045 1.00 0.00 H new ATOM 2200 N TYR A 528 5.580 -11.512 3.088 1.00 0.00 N ATOM 2201 CA TYR A 528 5.965 -12.532 2.154 1.00 0.00 C ATOM 2202 C TYR A 528 4.806 -13.449 1.877 1.00 0.00 C ATOM 2203 O TYR A 528 4.579 -13.839 0.735 1.00 0.00 O ATOM 2204 CB TYR A 528 7.147 -13.335 2.706 1.00 0.00 C ATOM 2205 CG TYR A 528 8.388 -12.512 2.933 1.00 0.00 C ATOM 2206 CD1 TYR A 528 9.285 -12.306 1.912 1.00 0.00 C ATOM 2207 CD2 TYR A 528 8.657 -11.935 4.166 1.00 0.00 C ATOM 2208 CE1 TYR A 528 10.415 -11.557 2.103 1.00 0.00 C ATOM 2209 CE2 TYR A 528 9.796 -11.178 4.366 1.00 0.00 C ATOM 2210 CZ TYR A 528 10.670 -10.992 3.328 1.00 0.00 C ATOM 2211 OH TYR A 528 11.815 -10.238 3.506 1.00 0.00 O ATOM 0 H TYR A 528 5.955 -11.656 4.026 1.00 0.00 H new ATOM 0 HA TYR A 528 6.267 -12.054 1.222 1.00 0.00 H new ATOM 0 HB2 TYR A 528 6.852 -13.798 3.648 1.00 0.00 H new ATOM 0 HB3 TYR A 528 7.380 -14.143 2.013 1.00 0.00 H new ATOM 0 HD1 TYR A 528 9.095 -12.742 0.943 1.00 0.00 H new ATOM 0 HD2 TYR A 528 7.965 -12.080 4.983 1.00 0.00 H new ATOM 0 HE1 TYR A 528 11.108 -11.410 1.288 1.00 0.00 H new ATOM 0 HE2 TYR A 528 9.995 -10.737 5.332 1.00 0.00 H new ATOM 0 HH TYR A 528 11.787 -9.803 4.384 1.00 0.00 H new ATOM 2221 N ASP A 529 4.077 -13.791 2.925 1.00 0.00 N ATOM 2222 CA ASP A 529 2.917 -14.666 2.811 1.00 0.00 C ATOM 2223 C ASP A 529 1.767 -13.919 2.180 1.00 0.00 C ATOM 2224 O ASP A 529 0.932 -13.335 2.884 1.00 0.00 O ATOM 2225 CB ASP A 529 2.467 -15.229 4.181 1.00 0.00 C ATOM 2226 CG ASP A 529 3.466 -16.150 4.838 1.00 0.00 C ATOM 2227 OD1 ASP A 529 3.514 -17.361 4.499 1.00 0.00 O ATOM 2228 OD2 ASP A 529 4.214 -15.690 5.738 1.00 0.00 O ATOM 0 H ASP A 529 4.269 -13.474 3.875 1.00 0.00 H new ATOM 0 HA ASP A 529 3.212 -15.507 2.184 1.00 0.00 H new ATOM 0 HB2 ASP A 529 2.264 -14.395 4.853 1.00 0.00 H new ATOM 0 HB3 ASP A 529 1.529 -15.767 4.048 1.00 0.00 H new ATOM 2233 N GLN A 530 1.748 -13.888 0.862 1.00 0.00 N ATOM 2234 CA GLN A 530 0.717 -13.191 0.134 1.00 0.00 C ATOM 2235 C GLN A 530 -0.622 -13.869 0.348 1.00 0.00 C ATOM 2236 O GLN A 530 -1.604 -13.215 0.650 1.00 0.00 O ATOM 2237 CB GLN A 530 1.063 -13.052 -1.370 1.00 0.00 C ATOM 2238 CG GLN A 530 1.247 -14.366 -2.130 1.00 0.00 C ATOM 2239 CD GLN A 530 1.667 -14.168 -3.572 1.00 0.00 C ATOM 2240 OE1 GLN A 530 2.354 -13.211 -3.910 1.00 0.00 O ATOM 2241 NE2 GLN A 530 1.258 -15.057 -4.433 1.00 0.00 N ATOM 0 H GLN A 530 2.444 -14.344 0.272 1.00 0.00 H new ATOM 0 HA GLN A 530 0.650 -12.176 0.526 1.00 0.00 H new ATOM 0 HB2 GLN A 530 0.272 -12.480 -1.855 1.00 0.00 H new ATOM 0 HB3 GLN A 530 1.979 -12.469 -1.461 1.00 0.00 H new ATOM 0 HG2 GLN A 530 1.996 -14.971 -1.620 1.00 0.00 H new ATOM 0 HG3 GLN A 530 0.313 -14.927 -2.104 1.00 0.00 H new ATOM 0 HE21 GLN A 530 0.687 -15.843 -4.122 1.00 0.00 H new ATOM 0 HE22 GLN A 530 1.509 -14.967 -5.418 1.00 0.00 H new ATOM 2250 N SER A 531 -0.622 -15.185 0.282 1.00 0.00 N ATOM 2251 CA SER A 531 -1.818 -15.968 0.445 1.00 0.00 C ATOM 2252 C SER A 531 -2.417 -15.742 1.841 1.00 0.00 C ATOM 2253 O SER A 531 -3.617 -15.502 1.977 1.00 0.00 O ATOM 2254 CB SER A 531 -1.486 -17.442 0.218 1.00 0.00 C ATOM 2255 OG SER A 531 -0.788 -17.610 -1.022 1.00 0.00 O ATOM 0 H SER A 531 0.217 -15.740 0.112 1.00 0.00 H new ATOM 0 HA SER A 531 -2.563 -15.659 -0.288 1.00 0.00 H new ATOM 0 HB2 SER A 531 -0.875 -17.815 1.040 1.00 0.00 H new ATOM 0 HB3 SER A 531 -2.403 -18.031 0.210 1.00 0.00 H new ATOM 0 HG SER A 531 -0.580 -18.558 -1.154 1.00 0.00 H new ATOM 2261 N GLY A 532 -1.557 -15.740 2.852 1.00 0.00 N ATOM 2262 CA GLY A 532 -2.005 -15.547 4.219 1.00 0.00 C ATOM 2263 C GLY A 532 -2.520 -14.136 4.480 1.00 0.00 C ATOM 2264 O GLY A 532 -3.585 -13.956 5.096 1.00 0.00 O ATOM 0 H GLY A 532 -0.551 -15.869 2.749 1.00 0.00 H new ATOM 0 HA2 GLY A 532 -2.795 -16.264 4.442 1.00 0.00 H new ATOM 0 HA3 GLY A 532 -1.181 -15.759 4.900 1.00 0.00 H new ATOM 2268 N PHE A 533 -1.785 -13.143 4.000 1.00 0.00 N ATOM 2269 CA PHE A 533 -2.141 -11.745 4.207 1.00 0.00 C ATOM 2270 C PHE A 533 -3.422 -11.387 3.458 1.00 0.00 C ATOM 2271 O PHE A 533 -4.350 -10.850 4.051 1.00 0.00 O ATOM 2272 CB PHE A 533 -0.978 -10.850 3.749 1.00 0.00 C ATOM 2273 CG PHE A 533 -1.188 -9.358 3.894 1.00 0.00 C ATOM 2274 CD1 PHE A 533 -0.841 -8.705 5.062 1.00 0.00 C ATOM 2275 CD2 PHE A 533 -1.692 -8.609 2.838 1.00 0.00 C ATOM 2276 CE1 PHE A 533 -0.992 -7.336 5.171 1.00 0.00 C ATOM 2277 CE2 PHE A 533 -1.848 -7.246 2.946 1.00 0.00 C ATOM 2278 CZ PHE A 533 -1.496 -6.608 4.111 1.00 0.00 C ATOM 0 H PHE A 533 -0.931 -13.281 3.460 1.00 0.00 H new ATOM 0 HA PHE A 533 -2.325 -11.582 5.269 1.00 0.00 H new ATOM 0 HB2 PHE A 533 -0.088 -11.128 4.314 1.00 0.00 H new ATOM 0 HB3 PHE A 533 -0.770 -11.067 2.701 1.00 0.00 H new ATOM 0 HD1 PHE A 533 -0.449 -9.269 5.895 1.00 0.00 H new ATOM 0 HD2 PHE A 533 -1.966 -9.104 1.918 1.00 0.00 H new ATOM 0 HE1 PHE A 533 -0.715 -6.834 6.087 1.00 0.00 H new ATOM 0 HE2 PHE A 533 -2.246 -6.679 2.117 1.00 0.00 H new ATOM 0 HZ PHE A 533 -1.613 -5.538 4.198 1.00 0.00 H new ATOM 2288 N VAL A 534 -3.492 -11.762 2.184 1.00 0.00 N ATOM 2289 CA VAL A 534 -4.646 -11.455 1.344 1.00 0.00 C ATOM 2290 C VAL A 534 -5.901 -12.139 1.885 1.00 0.00 C ATOM 2291 O VAL A 534 -6.982 -11.558 1.878 1.00 0.00 O ATOM 2292 CB VAL A 534 -4.404 -11.821 -0.160 1.00 0.00 C ATOM 2293 CG1 VAL A 534 -5.646 -11.553 -1.011 1.00 0.00 C ATOM 2294 CG2 VAL A 534 -3.220 -11.026 -0.713 1.00 0.00 C ATOM 0 H VAL A 534 -2.756 -12.283 1.707 1.00 0.00 H new ATOM 0 HA VAL A 534 -4.796 -10.376 1.381 1.00 0.00 H new ATOM 0 HB VAL A 534 -4.183 -12.887 -0.208 1.00 0.00 H new ATOM 0 HG11 VAL A 534 -5.441 -11.819 -2.048 1.00 0.00 H new ATOM 0 HG12 VAL A 534 -6.477 -12.153 -0.641 1.00 0.00 H new ATOM 0 HG13 VAL A 534 -5.906 -10.496 -0.952 1.00 0.00 H new ATOM 0 HG21 VAL A 534 -3.062 -11.289 -1.759 1.00 0.00 H new ATOM 0 HG22 VAL A 534 -3.430 -9.959 -0.635 1.00 0.00 H new ATOM 0 HG23 VAL A 534 -2.324 -11.262 -0.140 1.00 0.00 H new ATOM 2304 N ASN A 535 -5.737 -13.363 2.385 1.00 0.00 N ATOM 2305 CA ASN A 535 -6.851 -14.129 2.969 1.00 0.00 C ATOM 2306 C ASN A 535 -7.480 -13.355 4.126 1.00 0.00 C ATOM 2307 O ASN A 535 -8.701 -13.182 4.187 1.00 0.00 O ATOM 2308 CB ASN A 535 -6.359 -15.495 3.471 1.00 0.00 C ATOM 2309 CG ASN A 535 -7.461 -16.357 4.060 1.00 0.00 C ATOM 2310 OD1 ASN A 535 -7.741 -16.307 5.260 1.00 0.00 O ATOM 2311 ND2 ASN A 535 -8.072 -17.164 3.237 1.00 0.00 N ATOM 0 H ASN A 535 -4.842 -13.852 2.400 1.00 0.00 H new ATOM 0 HA ASN A 535 -7.601 -14.284 2.193 1.00 0.00 H new ATOM 0 HB2 ASN A 535 -5.893 -16.031 2.644 1.00 0.00 H new ATOM 0 HB3 ASN A 535 -5.588 -15.340 4.225 1.00 0.00 H new ATOM 0 HD21 ASN A 535 -8.808 -17.781 3.580 1.00 0.00 H new ATOM 0 HD22 ASN A 535 -7.814 -17.178 2.250 1.00 0.00 H new ATOM 2318 N GLY A 536 -6.627 -12.841 4.998 1.00 0.00 N ATOM 2319 CA GLY A 536 -7.091 -12.088 6.137 1.00 0.00 C ATOM 2320 C GLY A 536 -7.624 -10.734 5.732 1.00 0.00 C ATOM 2321 O GLY A 536 -8.689 -10.311 6.184 1.00 0.00 O ATOM 0 H GLY A 536 -5.613 -12.935 4.933 1.00 0.00 H new ATOM 0 HA2 GLY A 536 -7.873 -12.648 6.650 1.00 0.00 H new ATOM 0 HA3 GLY A 536 -6.273 -11.960 6.846 1.00 0.00 H new ATOM 2325 N ILE A 537 -6.903 -10.073 4.841 1.00 0.00 N ATOM 2326 CA ILE A 537 -7.284 -8.759 4.352 1.00 0.00 C ATOM 2327 C ILE A 537 -8.620 -8.798 3.629 1.00 0.00 C ATOM 2328 O ILE A 537 -9.407 -7.893 3.770 1.00 0.00 O ATOM 2329 CB ILE A 537 -6.176 -8.111 3.463 1.00 0.00 C ATOM 2330 CG1 ILE A 537 -4.938 -7.781 4.304 1.00 0.00 C ATOM 2331 CG2 ILE A 537 -6.673 -6.858 2.737 1.00 0.00 C ATOM 2332 CD1 ILE A 537 -5.173 -6.764 5.405 1.00 0.00 C ATOM 0 H ILE A 537 -6.038 -10.432 4.437 1.00 0.00 H new ATOM 0 HA ILE A 537 -7.399 -8.122 5.229 1.00 0.00 H new ATOM 0 HB ILE A 537 -5.908 -8.843 2.701 1.00 0.00 H new ATOM 0 HG12 ILE A 537 -4.564 -8.702 4.752 1.00 0.00 H new ATOM 0 HG13 ILE A 537 -4.156 -7.407 3.643 1.00 0.00 H new ATOM 0 HG21 ILE A 537 -5.866 -6.444 2.132 1.00 0.00 H new ATOM 0 HG22 ILE A 537 -7.512 -7.120 2.093 1.00 0.00 H new ATOM 0 HG23 ILE A 537 -6.995 -6.117 3.469 1.00 0.00 H new ATOM 0 HD11 ILE A 537 -4.243 -6.593 5.947 1.00 0.00 H new ATOM 0 HD12 ILE A 537 -5.515 -5.826 4.967 1.00 0.00 H new ATOM 0 HD13 ILE A 537 -5.930 -7.141 6.093 1.00 0.00 H new ATOM 2344 N ARG A 538 -8.891 -9.868 2.907 1.00 0.00 N ATOM 2345 CA ARG A 538 -10.164 -10.018 2.202 1.00 0.00 C ATOM 2346 C ARG A 538 -11.338 -10.002 3.193 1.00 0.00 C ATOM 2347 O ARG A 538 -12.414 -9.455 2.906 1.00 0.00 O ATOM 2348 CB ARG A 538 -10.189 -11.303 1.380 1.00 0.00 C ATOM 2349 CG ARG A 538 -11.474 -11.488 0.601 1.00 0.00 C ATOM 2350 CD ARG A 538 -11.488 -12.786 -0.163 1.00 0.00 C ATOM 2351 NE ARG A 538 -12.724 -12.928 -0.930 1.00 0.00 N ATOM 2352 CZ ARG A 538 -12.907 -13.788 -1.937 1.00 0.00 C ATOM 2353 NH1 ARG A 538 -11.939 -14.638 -2.285 1.00 0.00 N ATOM 2354 NH2 ARG A 538 -14.055 -13.793 -2.598 1.00 0.00 N ATOM 0 H ARG A 538 -8.249 -10.652 2.789 1.00 0.00 H new ATOM 0 HA ARG A 538 -10.268 -9.173 1.521 1.00 0.00 H new ATOM 0 HB2 ARG A 538 -9.348 -11.299 0.686 1.00 0.00 H new ATOM 0 HB3 ARG A 538 -10.049 -12.155 2.045 1.00 0.00 H new ATOM 0 HG2 ARG A 538 -12.321 -11.462 1.287 1.00 0.00 H new ATOM 0 HG3 ARG A 538 -11.600 -10.657 -0.093 1.00 0.00 H new ATOM 0 HD2 ARG A 538 -10.631 -12.825 -0.836 1.00 0.00 H new ATOM 0 HD3 ARG A 538 -11.388 -13.621 0.530 1.00 0.00 H new ATOM 0 HE ARG A 538 -13.507 -12.325 -0.678 1.00 0.00 H new ATOM 0 HH11 ARG A 538 -11.052 -14.635 -1.782 1.00 0.00 H new ATOM 0 HH12 ARG A 538 -12.086 -15.291 -3.054 1.00 0.00 H new ATOM 0 HH21 ARG A 538 -14.796 -13.142 -2.338 1.00 0.00 H new ATOM 0 HH22 ARG A 538 -14.198 -14.448 -3.367 1.00 0.00 H new ATOM 2368 N GLN A 539 -11.117 -10.566 4.359 1.00 0.00 N ATOM 2369 CA GLN A 539 -12.120 -10.570 5.408 1.00 0.00 C ATOM 2370 C GLN A 539 -12.274 -9.146 5.943 1.00 0.00 C ATOM 2371 O GLN A 539 -13.381 -8.685 6.215 1.00 0.00 O ATOM 2372 CB GLN A 539 -11.722 -11.546 6.512 1.00 0.00 C ATOM 2373 CG GLN A 539 -11.495 -12.962 5.998 1.00 0.00 C ATOM 2374 CD GLN A 539 -11.092 -13.945 7.077 1.00 0.00 C ATOM 2375 OE1 GLN A 539 -11.479 -13.814 8.248 1.00 0.00 O ATOM 2376 NE2 GLN A 539 -10.323 -14.930 6.704 1.00 0.00 N ATOM 0 H GLN A 539 -10.245 -11.032 4.609 1.00 0.00 H new ATOM 0 HA GLN A 539 -13.080 -10.902 5.013 1.00 0.00 H new ATOM 0 HB2 GLN A 539 -10.812 -11.190 6.994 1.00 0.00 H new ATOM 0 HB3 GLN A 539 -12.501 -11.562 7.274 1.00 0.00 H new ATOM 0 HG2 GLN A 539 -12.408 -13.316 5.519 1.00 0.00 H new ATOM 0 HG3 GLN A 539 -10.721 -12.941 5.231 1.00 0.00 H new ATOM 0 HE21 GLN A 539 -10.025 -15.004 5.731 1.00 0.00 H new ATOM 0 HE22 GLN A 539 -10.019 -15.626 7.385 1.00 0.00 H new ATOM 2385 N VAL A 540 -11.153 -8.439 6.032 1.00 0.00 N ATOM 2386 CA VAL A 540 -11.144 -7.035 6.429 1.00 0.00 C ATOM 2387 C VAL A 540 -11.872 -6.188 5.360 1.00 0.00 C ATOM 2388 O VAL A 540 -12.606 -5.276 5.691 1.00 0.00 O ATOM 2389 CB VAL A 540 -9.691 -6.502 6.645 1.00 0.00 C ATOM 2390 CG1 VAL A 540 -9.690 -5.035 7.062 1.00 0.00 C ATOM 2391 CG2 VAL A 540 -8.960 -7.345 7.686 1.00 0.00 C ATOM 0 H VAL A 540 -10.228 -8.820 5.832 1.00 0.00 H new ATOM 0 HA VAL A 540 -11.667 -6.950 7.382 1.00 0.00 H new ATOM 0 HB VAL A 540 -9.167 -6.582 5.693 1.00 0.00 H new ATOM 0 HG11 VAL A 540 -8.663 -4.698 7.203 1.00 0.00 H new ATOM 0 HG12 VAL A 540 -10.165 -4.436 6.285 1.00 0.00 H new ATOM 0 HG13 VAL A 540 -10.241 -4.922 7.996 1.00 0.00 H new ATOM 0 HG21 VAL A 540 -7.950 -6.959 7.823 1.00 0.00 H new ATOM 0 HG22 VAL A 540 -9.497 -7.300 8.633 1.00 0.00 H new ATOM 0 HG23 VAL A 540 -8.910 -8.380 7.346 1.00 0.00 H new ATOM 2401 N ILE A 541 -11.680 -6.546 4.084 1.00 0.00 N ATOM 2402 CA ILE A 541 -12.364 -5.900 2.949 1.00 0.00 C ATOM 2403 C ILE A 541 -13.860 -6.075 3.106 1.00 0.00 C ATOM 2404 O ILE A 541 -14.627 -5.133 2.995 1.00 0.00 O ATOM 2405 CB ILE A 541 -11.956 -6.561 1.595 1.00 0.00 C ATOM 2406 CG1 ILE A 541 -10.467 -6.398 1.303 1.00 0.00 C ATOM 2407 CG2 ILE A 541 -12.807 -6.059 0.429 1.00 0.00 C ATOM 2408 CD1 ILE A 541 -9.991 -4.979 1.258 1.00 0.00 C ATOM 0 H ILE A 541 -11.045 -7.294 3.806 1.00 0.00 H new ATOM 0 HA ILE A 541 -12.081 -4.847 2.942 1.00 0.00 H new ATOM 0 HB ILE A 541 -12.152 -7.628 1.703 1.00 0.00 H new ATOM 0 HG12 ILE A 541 -9.900 -6.933 2.065 1.00 0.00 H new ATOM 0 HG13 ILE A 541 -10.244 -6.873 0.347 1.00 0.00 H new ATOM 0 HG21 ILE A 541 -12.487 -6.547 -0.492 1.00 0.00 H new ATOM 0 HG22 ILE A 541 -13.855 -6.291 0.617 1.00 0.00 H new ATOM 0 HG23 ILE A 541 -12.687 -4.980 0.329 1.00 0.00 H new ATOM 0 HD11 ILE A 541 -8.922 -4.960 1.045 1.00 0.00 H new ATOM 0 HD12 ILE A 541 -10.526 -4.440 0.476 1.00 0.00 H new ATOM 0 HD13 ILE A 541 -10.178 -4.502 2.220 1.00 0.00 H new ATOM 2420 N THR A 542 -14.236 -7.279 3.430 1.00 0.00 N ATOM 2421 CA THR A 542 -15.598 -7.650 3.653 1.00 0.00 C ATOM 2422 C THR A 542 -16.205 -6.823 4.799 1.00 0.00 C ATOM 2423 O THR A 542 -17.336 -6.309 4.692 1.00 0.00 O ATOM 2424 CB THR A 542 -15.631 -9.136 3.951 1.00 0.00 C ATOM 2425 OG1 THR A 542 -15.134 -9.871 2.806 1.00 0.00 O ATOM 2426 CG2 THR A 542 -16.993 -9.652 4.385 1.00 0.00 C ATOM 0 H THR A 542 -13.580 -8.051 3.549 1.00 0.00 H new ATOM 0 HA THR A 542 -16.202 -7.444 2.769 1.00 0.00 H new ATOM 0 HB THR A 542 -14.980 -9.299 4.810 1.00 0.00 H new ATOM 0 HG1 THR A 542 -14.166 -9.740 2.729 1.00 0.00 H new ATOM 0 HG21 THR A 542 -16.932 -10.723 4.579 1.00 0.00 H new ATOM 0 HG22 THR A 542 -17.305 -9.136 5.293 1.00 0.00 H new ATOM 0 HG23 THR A 542 -17.721 -9.468 3.595 1.00 0.00 H new ATOM 2434 N ASN A 543 -15.426 -6.659 5.863 1.00 0.00 N ATOM 2435 CA ASN A 543 -15.821 -5.851 7.009 1.00 0.00 C ATOM 2436 C ASN A 543 -15.899 -4.390 6.627 1.00 0.00 C ATOM 2437 O ASN A 543 -16.769 -3.691 7.075 1.00 0.00 O ATOM 2438 CB ASN A 543 -14.866 -6.045 8.207 1.00 0.00 C ATOM 2439 CG ASN A 543 -14.942 -7.437 8.808 1.00 0.00 C ATOM 2440 OD1 ASN A 543 -15.997 -8.080 8.786 1.00 0.00 O ATOM 2441 ND2 ASN A 543 -13.846 -7.914 9.357 1.00 0.00 N ATOM 0 H ASN A 543 -14.503 -7.083 5.954 1.00 0.00 H new ATOM 0 HA ASN A 543 -16.810 -6.188 7.320 1.00 0.00 H new ATOM 0 HB2 ASN A 543 -13.843 -5.850 7.884 1.00 0.00 H new ATOM 0 HB3 ASN A 543 -15.103 -5.310 8.976 1.00 0.00 H new ATOM 0 HD21 ASN A 543 -13.850 -8.841 9.782 1.00 0.00 H new ATOM 0 HD22 ASN A 543 -12.992 -7.357 9.358 1.00 0.00 H new ATOM 2448 N LEU A 544 -14.988 -3.962 5.781 1.00 0.00 N ATOM 2449 CA LEU A 544 -14.922 -2.594 5.266 1.00 0.00 C ATOM 2450 C LEU A 544 -16.183 -2.234 4.475 1.00 0.00 C ATOM 2451 O LEU A 544 -16.747 -1.146 4.635 1.00 0.00 O ATOM 2452 CB LEU A 544 -13.689 -2.464 4.356 1.00 0.00 C ATOM 2453 CG LEU A 544 -13.536 -1.158 3.579 1.00 0.00 C ATOM 2454 CD1 LEU A 544 -13.319 0.004 4.511 1.00 0.00 C ATOM 2455 CD2 LEU A 544 -12.404 -1.265 2.577 1.00 0.00 C ATOM 0 H LEU A 544 -14.249 -4.564 5.417 1.00 0.00 H new ATOM 0 HA LEU A 544 -14.848 -1.908 6.109 1.00 0.00 H new ATOM 0 HB2 LEU A 544 -12.799 -2.599 4.970 1.00 0.00 H new ATOM 0 HB3 LEU A 544 -13.709 -3.285 3.639 1.00 0.00 H new ATOM 0 HG LEU A 544 -14.462 -0.978 3.033 1.00 0.00 H new ATOM 0 HD11 LEU A 544 -13.213 0.921 3.931 1.00 0.00 H new ATOM 0 HD12 LEU A 544 -14.172 0.096 5.183 1.00 0.00 H new ATOM 0 HD13 LEU A 544 -12.414 -0.162 5.095 1.00 0.00 H new ATOM 0 HD21 LEU A 544 -12.310 -0.325 2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 544 -11.472 -1.475 3.102 1.00 0.00 H new ATOM 0 HD23 LEU A 544 -12.615 -2.071 1.875 1.00 0.00 H new