USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 594 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 Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : B 411 MET CE :methyl 139:sc= -2.2! (180deg=-4.51!) USER MOD Single : B 413 LYS NZ :NH3+ -171:sc= -1.44 (180deg=-1.74) USER MOD Single : B 415 GLN : amide:sc= -3.42 K(o=-3.4,f=-0.81) USER MOD Single : B 417 GLN : amide:sc= -4.43! C(o=-4.4!,f=-4.8!) USER MOD Single : B 418 HIS : no HD1:sc= -3.36 K(o=-3.4,f=-1.3) USER MOD Single : B 420 TYR OH : rot 95:sc= 0.47 USER MOD Single : B 421 THR OG1 : rot 180:sc= 0 USER MOD Single : B 423 THR OG1 : rot 64:sc= 0.898 USER MOD Single : B 425 THR OG1 : rot -26:sc= 0.541 USER MOD Single : B 429 GLN : amide:sc= 0.402 X(o=0.4,f=0) USER MOD Single : B 431 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 453 MET CE :methyl -110:sc= -4.23! (180deg=-7.19!) USER MOD Single : B 456 LYS NZ :NH3+ 175:sc= 0.271 (180deg=0.244) USER MOD Single : B 458 SER OG : rot 180:sc= 0 USER MOD Single : B 461 ASN : amide:sc= -0.362 X(o=-0.36,f=0) USER MOD Single : B 462 GLN : amide:sc= -0.868 X(o=-0.87,f=-0.6) USER MOD Single : B 463 HIS : no HD1:sc= -0.031 X(o=-0.031,f=-0.027) USER MOD Single : B 464 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 465 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 468 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 469 CYS SG : rot -50:sc= -5.97! USER MOD Single : B 476 ASN : amide:sc= -4.62! C(o=-4.6!,f=-11!) USER MOD Single : B 478 THR OG1 : rot -87:sc= -0.652! USER MOD ----------------------------------------------------------------- ATOM 67 N PRO A 59 4.855 -7.655 -8.743 1.00 0.00 N ATOM 68 CA PRO A 59 4.654 -9.089 -8.869 1.00 0.00 C ATOM 69 C PRO A 59 5.783 -9.731 -9.678 1.00 0.00 C ATOM 70 O PRO A 59 6.612 -9.032 -10.258 1.00 0.00 O ATOM 71 CB PRO A 59 3.292 -9.239 -9.526 1.00 0.00 C ATOM 72 CG PRO A 59 2.987 -7.893 -10.164 1.00 0.00 C ATOM 73 CD PRO A 59 3.966 -6.877 -9.600 1.00 0.00 C ATOM 0 HA PRO A 59 4.676 -9.604 -7.908 1.00 0.00 H new ATOM 0 HB2 PRO A 59 3.304 -10.032 -10.274 1.00 0.00 H new ATOM 0 HB3 PRO A 59 2.531 -9.505 -8.792 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.083 -7.954 -11.248 1.00 0.00 H new ATOM 0 HG3 PRO A 59 1.961 -7.593 -9.951 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.520 -6.377 -10.395 1.00 0.00 H new ATOM 0 HD3 PRO A 59 3.450 -6.101 -9.035 1.00 0.00 H new ATOM 81 N PRO A 60 5.778 -11.091 -9.691 1.00 0.00 N ATOM 82 CA PRO A 60 6.790 -11.836 -10.420 1.00 0.00 C ATOM 83 C PRO A 60 6.529 -11.786 -11.927 1.00 0.00 C ATOM 84 O PRO A 60 5.424 -11.463 -12.358 1.00 0.00 O ATOM 85 CB PRO A 60 6.727 -13.245 -9.852 1.00 0.00 C ATOM 86 CG PRO A 60 5.377 -13.356 -9.162 1.00 0.00 C ATOM 87 CD PRO A 60 4.812 -11.953 -9.015 1.00 0.00 C ATOM 0 HA PRO A 60 7.789 -11.417 -10.300 1.00 0.00 H new ATOM 0 HB2 PRO A 60 6.824 -13.989 -10.642 1.00 0.00 H new ATOM 0 HB3 PRO A 60 7.541 -13.419 -9.148 1.00 0.00 H new ATOM 0 HG2 PRO A 60 4.700 -13.981 -9.745 1.00 0.00 H new ATOM 0 HG3 PRO A 60 5.485 -13.828 -8.186 1.00 0.00 H new ATOM 0 HD2 PRO A 60 3.825 -11.874 -9.470 1.00 0.00 H new ATOM 0 HD3 PRO A 60 4.702 -11.678 -7.966 1.00 0.00 H new ATOM 95 N LEU A 61 7.566 -12.111 -12.685 1.00 0.00 N ATOM 96 CA LEU A 61 7.462 -12.107 -14.135 1.00 0.00 C ATOM 97 C LEU A 61 6.369 -13.086 -14.567 1.00 0.00 C ATOM 98 O LEU A 61 6.368 -14.244 -14.151 1.00 0.00 O ATOM 99 CB LEU A 61 8.826 -12.388 -14.770 1.00 0.00 C ATOM 100 CG LEU A 61 9.552 -11.178 -15.361 1.00 0.00 C ATOM 101 CD1 LEU A 61 8.629 -10.381 -16.284 1.00 0.00 C ATOM 102 CD2 LEU A 61 10.152 -10.305 -14.257 1.00 0.00 C ATOM 0 H LEU A 61 8.481 -12.379 -12.323 1.00 0.00 H new ATOM 0 HA LEU A 61 7.166 -11.121 -14.493 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.470 -12.840 -14.016 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.692 -13.128 -15.559 1.00 0.00 H new ATOM 0 HG LEU A 61 10.380 -11.541 -15.970 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.170 -9.527 -16.690 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.292 -11.019 -17.101 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.766 -10.028 -15.719 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.662 -9.452 -14.705 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.357 -9.949 -13.602 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.865 -10.891 -13.677 1.00 0.00 H new ATOM 114 N SER A 62 5.464 -12.585 -15.395 1.00 0.00 N ATOM 115 CA SER A 62 4.368 -13.402 -15.888 1.00 0.00 C ATOM 116 C SER A 62 4.751 -14.039 -17.225 1.00 0.00 C ATOM 117 O SER A 62 5.645 -13.553 -17.915 1.00 0.00 O ATOM 118 CB SER A 62 3.090 -12.574 -16.041 1.00 0.00 C ATOM 119 OG SER A 62 3.097 -11.797 -17.236 1.00 0.00 O ATOM 0 H SER A 62 5.467 -11.624 -15.737 1.00 0.00 H new ATOM 0 HA SER A 62 4.174 -14.190 -15.160 1.00 0.00 H new ATOM 0 HB2 SER A 62 2.226 -13.238 -16.046 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.980 -11.914 -15.180 1.00 0.00 H new ATOM 0 HG SER A 62 2.264 -11.284 -17.298 1.00 0.00 H new ATOM 125 N PRO A 63 4.037 -15.148 -17.559 1.00 0.00 N ATOM 126 CA PRO A 63 4.292 -15.857 -18.801 1.00 0.00 C ATOM 127 C PRO A 63 3.726 -15.089 -19.997 1.00 0.00 C ATOM 128 O PRO A 63 3.040 -14.083 -19.825 1.00 0.00 O ATOM 129 CB PRO A 63 3.651 -17.222 -18.613 1.00 0.00 C ATOM 130 CG PRO A 63 2.665 -17.066 -17.467 1.00 0.00 C ATOM 131 CD PRO A 63 2.971 -15.753 -16.765 1.00 0.00 C ATOM 0 HA PRO A 63 5.355 -15.958 -19.018 1.00 0.00 H new ATOM 0 HB2 PRO A 63 3.144 -17.544 -19.523 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.402 -17.977 -18.382 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.641 -17.069 -17.841 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.753 -17.900 -16.771 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.092 -15.110 -16.727 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.289 -15.919 -15.736 1.00 0.00 H new ATOM 279 N LEU B 406 -17.265 2.122 -27.124 1.00 0.00 N ATOM 280 CA LEU B 406 -16.554 1.530 -26.003 1.00 0.00 C ATOM 281 C LEU B 406 -16.368 0.033 -26.256 1.00 0.00 C ATOM 282 O LEU B 406 -17.082 -0.557 -27.066 1.00 0.00 O ATOM 283 CB LEU B 406 -17.269 1.848 -24.688 1.00 0.00 C ATOM 284 CG LEU B 406 -17.962 0.670 -24.000 1.00 0.00 C ATOM 285 CD1 LEU B 406 -18.177 0.953 -22.512 1.00 0.00 C ATOM 286 CD2 LEU B 406 -19.269 0.312 -24.710 1.00 0.00 C ATOM 0 HA LEU B 406 -15.558 1.964 -25.911 1.00 0.00 H new ATOM 0 HB2 LEU B 406 -16.542 2.271 -23.995 1.00 0.00 H new ATOM 0 HB3 LEU B 406 -18.014 2.620 -24.880 1.00 0.00 H new ATOM 0 HG LEU B 406 -17.308 -0.199 -24.071 1.00 0.00 H new ATOM 0 HD11 LEU B 406 -18.671 0.100 -22.047 1.00 0.00 H new ATOM 0 HD12 LEU B 406 -17.214 1.121 -22.031 1.00 0.00 H new ATOM 0 HD13 LEU B 406 -18.800 1.840 -22.397 1.00 0.00 H new ATOM 0 HD21 LEU B 406 -19.741 -0.528 -24.201 1.00 0.00 H new ATOM 0 HD22 LEU B 406 -19.940 1.171 -24.692 1.00 0.00 H new ATOM 0 HD23 LEU B 406 -19.058 0.038 -25.744 1.00 0.00 H new ATOM 298 N PRO B 407 -15.380 -0.554 -25.529 1.00 0.00 N ATOM 299 CA PRO B 407 -15.091 -1.971 -25.667 1.00 0.00 C ATOM 300 C PRO B 407 -16.156 -2.819 -24.968 1.00 0.00 C ATOM 301 O PRO B 407 -16.536 -2.532 -23.834 1.00 0.00 O ATOM 302 CB PRO B 407 -13.704 -2.150 -25.071 1.00 0.00 C ATOM 303 CG PRO B 407 -13.461 -0.923 -24.206 1.00 0.00 C ATOM 304 CD PRO B 407 -14.515 0.113 -24.561 1.00 0.00 C ATOM 0 HA PRO B 407 -15.110 -2.305 -26.704 1.00 0.00 H new ATOM 0 HB2 PRO B 407 -13.648 -3.063 -24.478 1.00 0.00 H new ATOM 0 HB3 PRO B 407 -12.950 -2.232 -25.854 1.00 0.00 H new ATOM 0 HG2 PRO B 407 -13.522 -1.183 -23.149 1.00 0.00 H new ATOM 0 HG3 PRO B 407 -12.461 -0.525 -24.380 1.00 0.00 H new ATOM 0 HD2 PRO B 407 -15.075 0.426 -23.680 1.00 0.00 H new ATOM 0 HD3 PRO B 407 -14.062 1.009 -24.986 1.00 0.00 H new ATOM 312 N PRO B 408 -16.619 -3.872 -25.693 1.00 0.00 N ATOM 313 CA PRO B 408 -17.632 -4.763 -25.154 1.00 0.00 C ATOM 314 C PRO B 408 -17.034 -5.703 -24.105 1.00 0.00 C ATOM 315 O PRO B 408 -15.889 -6.133 -24.232 1.00 0.00 O ATOM 316 CB PRO B 408 -18.191 -5.499 -26.361 1.00 0.00 C ATOM 317 CG PRO B 408 -17.158 -5.335 -27.464 1.00 0.00 C ATOM 318 CD PRO B 408 -16.192 -4.241 -27.039 1.00 0.00 C ATOM 0 HA PRO B 408 -18.423 -4.230 -24.627 1.00 0.00 H new ATOM 0 HB2 PRO B 408 -18.356 -6.552 -26.134 1.00 0.00 H new ATOM 0 HB3 PRO B 408 -19.153 -5.083 -26.661 1.00 0.00 H new ATOM 0 HG2 PRO B 408 -16.625 -6.271 -27.630 1.00 0.00 H new ATOM 0 HG3 PRO B 408 -17.642 -5.072 -28.405 1.00 0.00 H new ATOM 0 HD2 PRO B 408 -15.162 -4.598 -27.044 1.00 0.00 H new ATOM 0 HD3 PRO B 408 -16.237 -3.388 -27.716 1.00 0.00 H new ATOM 326 N GLY B 409 -17.837 -5.995 -23.092 1.00 0.00 N ATOM 327 CA GLY B 409 -17.401 -6.876 -22.022 1.00 0.00 C ATOM 328 C GLY B 409 -16.675 -6.092 -20.928 1.00 0.00 C ATOM 329 O GLY B 409 -16.586 -6.547 -19.788 1.00 0.00 O ATOM 0 H GLY B 409 -18.787 -5.637 -22.990 1.00 0.00 H new ATOM 0 HA2 GLY B 409 -18.262 -7.390 -21.595 1.00 0.00 H new ATOM 0 HA3 GLY B 409 -16.740 -7.643 -22.425 1.00 0.00 H new ATOM 333 N PHE B 410 -16.173 -4.928 -21.312 1.00 0.00 N ATOM 334 CA PHE B 410 -15.457 -4.076 -20.378 1.00 0.00 C ATOM 335 C PHE B 410 -16.084 -4.144 -18.983 1.00 0.00 C ATOM 336 O PHE B 410 -17.294 -4.318 -18.851 1.00 0.00 O ATOM 337 CB PHE B 410 -15.566 -2.644 -20.904 1.00 0.00 C ATOM 338 CG PHE B 410 -15.363 -1.570 -19.833 1.00 0.00 C ATOM 339 CD1 PHE B 410 -14.106 -1.245 -19.427 1.00 0.00 C ATOM 340 CD2 PHE B 410 -16.438 -0.941 -19.288 1.00 0.00 C ATOM 341 CE1 PHE B 410 -13.917 -0.248 -18.433 1.00 0.00 C ATOM 342 CE2 PHE B 410 -16.249 0.055 -18.294 1.00 0.00 C ATOM 343 CZ PHE B 410 -14.993 0.381 -17.887 1.00 0.00 C ATOM 0 H PHE B 410 -16.248 -4.554 -22.258 1.00 0.00 H new ATOM 0 HA PHE B 410 -14.420 -4.401 -20.298 1.00 0.00 H new ATOM 0 HB2 PHE B 410 -14.827 -2.500 -21.692 1.00 0.00 H new ATOM 0 HB3 PHE B 410 -16.548 -2.509 -21.358 1.00 0.00 H new ATOM 0 HD1 PHE B 410 -13.252 -1.745 -19.860 1.00 0.00 H new ATOM 0 HD2 PHE B 410 -17.436 -1.199 -19.611 1.00 0.00 H new ATOM 0 HE1 PHE B 410 -12.919 0.011 -18.111 1.00 0.00 H new ATOM 0 HE2 PHE B 410 -17.103 0.554 -17.861 1.00 0.00 H new ATOM 0 HZ PHE B 410 -14.850 1.139 -17.131 1.00 0.00 H new ATOM 353 N MET B 411 -15.232 -4.002 -17.979 1.00 0.00 N ATOM 354 CA MET B 411 -15.687 -4.044 -16.600 1.00 0.00 C ATOM 355 C MET B 411 -15.638 -2.653 -15.964 1.00 0.00 C ATOM 356 O MET B 411 -16.677 -2.046 -15.710 1.00 0.00 O ATOM 357 CB MET B 411 -14.803 -5.003 -15.799 1.00 0.00 C ATOM 358 CG MET B 411 -14.797 -6.397 -16.428 1.00 0.00 C ATOM 359 SD MET B 411 -14.114 -7.582 -15.281 1.00 0.00 S ATOM 360 CE MET B 411 -12.902 -8.367 -16.331 1.00 0.00 C ATOM 0 H MET B 411 -14.229 -3.858 -18.093 1.00 0.00 H new ATOM 0 HA MET B 411 -16.720 -4.392 -16.588 1.00 0.00 H new ATOM 0 HB2 MET B 411 -13.785 -4.615 -15.756 1.00 0.00 H new ATOM 0 HB3 MET B 411 -15.164 -5.065 -14.772 1.00 0.00 H new ATOM 0 HG2 MET B 411 -15.812 -6.686 -16.701 1.00 0.00 H new ATOM 0 HG3 MET B 411 -14.210 -6.388 -17.347 1.00 0.00 H new ATOM 0 HE1 MET B 411 -11.986 -8.537 -15.765 1.00 0.00 H new ATOM 0 HE2 MET B 411 -13.292 -9.321 -16.686 1.00 0.00 H new ATOM 0 HE3 MET B 411 -12.688 -7.723 -17.184 1.00 0.00 H new ATOM 370 N PHE B 412 -14.420 -2.189 -15.725 1.00 0.00 N ATOM 371 CA PHE B 412 -14.222 -0.882 -15.122 1.00 0.00 C ATOM 372 C PHE B 412 -12.828 -0.338 -15.438 1.00 0.00 C ATOM 373 O PHE B 412 -12.044 -0.991 -16.125 1.00 0.00 O ATOM 374 CB PHE B 412 -14.355 -1.062 -13.609 1.00 0.00 C ATOM 375 CG PHE B 412 -13.566 -2.249 -13.052 1.00 0.00 C ATOM 376 CD1 PHE B 412 -12.254 -2.101 -12.726 1.00 0.00 C ATOM 377 CD2 PHE B 412 -14.177 -3.452 -12.882 1.00 0.00 C ATOM 378 CE1 PHE B 412 -11.522 -3.202 -12.210 1.00 0.00 C ATOM 379 CE2 PHE B 412 -13.445 -4.554 -12.365 1.00 0.00 C ATOM 380 CZ PHE B 412 -12.132 -4.405 -12.040 1.00 0.00 C ATOM 0 H PHE B 412 -13.560 -2.695 -15.938 1.00 0.00 H new ATOM 0 HA PHE B 412 -14.955 -0.177 -15.514 1.00 0.00 H new ATOM 0 HB2 PHE B 412 -14.019 -0.151 -13.114 1.00 0.00 H new ATOM 0 HB3 PHE B 412 -15.408 -1.190 -13.360 1.00 0.00 H new ATOM 0 HD1 PHE B 412 -11.769 -1.145 -12.860 1.00 0.00 H new ATOM 0 HD2 PHE B 412 -15.219 -3.569 -13.140 1.00 0.00 H new ATOM 0 HE1 PHE B 412 -10.480 -3.084 -11.952 1.00 0.00 H new ATOM 0 HE2 PHE B 412 -13.930 -5.509 -12.230 1.00 0.00 H new ATOM 0 HZ PHE B 412 -11.575 -5.242 -11.647 1.00 0.00 H new ATOM 390 N LYS B 413 -12.561 0.853 -14.922 1.00 0.00 N ATOM 391 CA LYS B 413 -11.275 1.493 -15.141 1.00 0.00 C ATOM 392 C LYS B 413 -10.420 1.356 -13.880 1.00 0.00 C ATOM 393 O LYS B 413 -10.942 1.386 -12.766 1.00 0.00 O ATOM 394 CB LYS B 413 -11.468 2.940 -15.600 1.00 0.00 C ATOM 395 CG LYS B 413 -10.380 3.349 -16.594 1.00 0.00 C ATOM 396 CD LYS B 413 -9.811 4.727 -16.248 1.00 0.00 C ATOM 397 CE LYS B 413 -8.908 4.653 -15.016 1.00 0.00 C ATOM 398 NZ LYS B 413 -9.132 5.824 -14.138 1.00 0.00 N ATOM 0 H LYS B 413 -13.214 1.392 -14.353 1.00 0.00 H new ATOM 0 HA LYS B 413 -10.735 0.997 -15.947 1.00 0.00 H new ATOM 0 HB2 LYS B 413 -12.449 3.051 -16.063 1.00 0.00 H new ATOM 0 HB3 LYS B 413 -11.446 3.605 -14.737 1.00 0.00 H new ATOM 0 HG2 LYS B 413 -9.580 2.609 -16.587 1.00 0.00 H new ATOM 0 HG3 LYS B 413 -10.792 3.364 -17.603 1.00 0.00 H new ATOM 0 HD2 LYS B 413 -9.245 5.114 -17.095 1.00 0.00 H new ATOM 0 HD3 LYS B 413 -10.627 5.426 -16.064 1.00 0.00 H new ATOM 0 HE2 LYS B 413 -9.109 3.734 -14.465 1.00 0.00 H new ATOM 0 HE3 LYS B 413 -7.863 4.617 -15.325 1.00 0.00 H new ATOM 0 HZ1 LYS B 413 -8.410 5.840 -13.389 1.00 0.00 H new ATOM 0 HZ2 LYS B 413 -9.067 6.697 -14.700 1.00 0.00 H new ATOM 0 HZ3 LYS B 413 -10.076 5.759 -13.707 1.00 0.00 H new ATOM 412 N VAL B 414 -9.122 1.208 -14.097 1.00 0.00 N ATOM 413 CA VAL B 414 -8.190 1.065 -12.991 1.00 0.00 C ATOM 414 C VAL B 414 -7.112 2.146 -13.094 1.00 0.00 C ATOM 415 O VAL B 414 -6.969 2.787 -14.134 1.00 0.00 O ATOM 416 CB VAL B 414 -7.615 -0.353 -12.972 1.00 0.00 C ATOM 417 CG1 VAL B 414 -8.726 -1.397 -13.096 1.00 0.00 C ATOM 418 CG2 VAL B 414 -6.567 -0.534 -14.071 1.00 0.00 C ATOM 0 H VAL B 414 -8.693 1.184 -15.022 1.00 0.00 H new ATOM 0 HA VAL B 414 -8.702 1.207 -12.039 1.00 0.00 H new ATOM 0 HB VAL B 414 -7.122 -0.502 -12.011 1.00 0.00 H new ATOM 0 HG11 VAL B 414 -8.290 -2.396 -13.080 1.00 0.00 H new ATOM 0 HG12 VAL B 414 -9.420 -1.290 -12.262 1.00 0.00 H new ATOM 0 HG13 VAL B 414 -9.261 -1.250 -14.034 1.00 0.00 H new ATOM 0 HG21 VAL B 414 -6.174 -1.550 -14.035 1.00 0.00 H new ATOM 0 HG22 VAL B 414 -7.025 -0.356 -15.044 1.00 0.00 H new ATOM 0 HG23 VAL B 414 -5.753 0.175 -13.918 1.00 0.00 H new ATOM 428 N GLN B 415 -6.382 2.315 -12.002 1.00 0.00 N ATOM 429 CA GLN B 415 -5.321 3.307 -11.957 1.00 0.00 C ATOM 430 C GLN B 415 -4.039 2.688 -11.397 1.00 0.00 C ATOM 431 O GLN B 415 -4.032 2.166 -10.284 1.00 0.00 O ATOM 432 CB GLN B 415 -5.745 4.526 -11.135 1.00 0.00 C ATOM 433 CG GLN B 415 -4.588 5.516 -10.985 1.00 0.00 C ATOM 434 CD GLN B 415 -4.665 6.614 -12.047 1.00 0.00 C ATOM 435 OE1 GLN B 415 -5.619 7.370 -12.127 1.00 0.00 O ATOM 436 NE2 GLN B 415 -3.610 6.660 -12.855 1.00 0.00 N ATOM 0 H GLN B 415 -6.504 1.782 -11.141 1.00 0.00 H new ATOM 0 HA GLN B 415 -5.124 3.646 -12.974 1.00 0.00 H new ATOM 0 HB2 GLN B 415 -6.589 5.018 -11.617 1.00 0.00 H new ATOM 0 HB3 GLN B 415 -6.084 4.205 -10.150 1.00 0.00 H new ATOM 0 HG2 GLN B 415 -4.614 5.964 -9.991 1.00 0.00 H new ATOM 0 HG3 GLN B 415 -3.639 4.987 -11.072 1.00 0.00 H new ATOM 0 HE21 GLN B 415 -2.845 5.997 -12.733 1.00 0.00 H new ATOM 0 HE22 GLN B 415 -3.566 7.359 -13.597 1.00 0.00 H new ATOM 445 N ALA B 416 -2.984 2.767 -12.196 1.00 0.00 N ATOM 446 CA ALA B 416 -1.699 2.221 -11.795 1.00 0.00 C ATOM 447 C ALA B 416 -1.105 3.090 -10.684 1.00 0.00 C ATOM 448 O ALA B 416 -1.259 4.310 -10.696 1.00 0.00 O ATOM 449 CB ALA B 416 -0.781 2.126 -13.015 1.00 0.00 C ATOM 0 H ALA B 416 -2.994 3.201 -13.119 1.00 0.00 H new ATOM 0 HA ALA B 416 -1.817 1.213 -11.398 1.00 0.00 H new ATOM 0 HB1 ALA B 416 0.183 1.716 -12.714 1.00 0.00 H new ATOM 0 HB2 ALA B 416 -1.235 1.475 -13.762 1.00 0.00 H new ATOM 0 HB3 ALA B 416 -0.636 3.119 -13.440 1.00 0.00 H new ATOM 455 N GLN B 417 -0.438 2.427 -9.751 1.00 0.00 N ATOM 456 CA GLN B 417 0.180 3.123 -8.636 1.00 0.00 C ATOM 457 C GLN B 417 1.703 2.997 -8.710 1.00 0.00 C ATOM 458 O GLN B 417 2.419 3.592 -7.905 1.00 0.00 O ATOM 459 CB GLN B 417 -0.349 2.597 -7.300 1.00 0.00 C ATOM 460 CG GLN B 417 -1.809 2.157 -7.423 1.00 0.00 C ATOM 461 CD GLN B 417 -2.457 2.015 -6.045 1.00 0.00 C ATOM 462 OE1 GLN B 417 -2.479 2.935 -5.243 1.00 0.00 O ATOM 463 NE2 GLN B 417 -2.983 0.815 -5.815 1.00 0.00 N ATOM 0 H GLN B 417 -0.312 1.415 -9.745 1.00 0.00 H new ATOM 0 HA GLN B 417 -0.082 4.179 -8.703 1.00 0.00 H new ATOM 0 HB2 GLN B 417 0.261 1.757 -6.969 1.00 0.00 H new ATOM 0 HB3 GLN B 417 -0.262 3.373 -6.540 1.00 0.00 H new ATOM 0 HG2 GLN B 417 -2.363 2.885 -8.016 1.00 0.00 H new ATOM 0 HG3 GLN B 417 -1.863 1.206 -7.954 1.00 0.00 H new ATOM 0 HE21 GLN B 417 -2.930 0.089 -6.530 1.00 0.00 H new ATOM 0 HE22 GLN B 417 -3.439 0.621 -4.924 1.00 0.00 H new ATOM 472 N HIS B 418 2.154 2.220 -9.683 1.00 0.00 N ATOM 473 CA HIS B 418 3.579 2.009 -9.873 1.00 0.00 C ATOM 474 C HIS B 418 3.902 2.004 -11.369 1.00 0.00 C ATOM 475 O HIS B 418 2.998 1.977 -12.203 1.00 0.00 O ATOM 476 CB HIS B 418 4.039 0.734 -9.164 1.00 0.00 C ATOM 477 CG HIS B 418 3.597 0.639 -7.723 1.00 0.00 C ATOM 478 ND1 HIS B 418 4.478 0.734 -6.660 1.00 0.00 N ATOM 479 CD2 HIS B 418 2.358 0.459 -7.181 1.00 0.00 C ATOM 480 CE1 HIS B 418 3.790 0.614 -5.534 1.00 0.00 C ATOM 481 NE2 HIS B 418 2.476 0.442 -5.859 1.00 0.00 N ATOM 0 H HIS B 418 1.558 1.728 -10.349 1.00 0.00 H new ATOM 0 HA HIS B 418 4.135 2.829 -9.419 1.00 0.00 H new ATOM 0 HB2 HIS B 418 3.657 -0.130 -9.708 1.00 0.00 H new ATOM 0 HB3 HIS B 418 5.127 0.681 -9.204 1.00 0.00 H new ATOM 0 HD2 HIS B 418 1.437 0.349 -7.734 1.00 0.00 H new ATOM 0 HE1 HIS B 418 4.198 0.647 -4.534 1.00 0.00 H new ATOM 0 HE2 HIS B 418 1.711 0.320 -5.196 1.00 0.00 H new ATOM 489 N ASP B 419 5.194 2.031 -11.663 1.00 0.00 N ATOM 490 CA ASP B 419 5.647 2.030 -13.043 1.00 0.00 C ATOM 491 C ASP B 419 6.352 0.706 -13.343 1.00 0.00 C ATOM 492 O ASP B 419 7.478 0.484 -12.901 1.00 0.00 O ATOM 493 CB ASP B 419 6.644 3.164 -13.296 1.00 0.00 C ATOM 494 CG ASP B 419 6.882 3.498 -14.770 1.00 0.00 C ATOM 495 OD1 ASP B 419 7.079 2.537 -15.545 1.00 0.00 O ATOM 496 OD2 ASP B 419 6.861 4.707 -15.088 1.00 0.00 O ATOM 0 H ASP B 419 5.941 2.054 -10.969 1.00 0.00 H new ATOM 0 HA ASP B 419 4.776 2.165 -13.684 1.00 0.00 H new ATOM 0 HB2 ASP B 419 6.288 4.061 -12.789 1.00 0.00 H new ATOM 0 HB3 ASP B 419 7.598 2.897 -12.841 1.00 0.00 H new ATOM 501 N TYR B 420 5.659 -0.140 -14.092 1.00 0.00 N ATOM 502 CA TYR B 420 6.204 -1.437 -14.455 1.00 0.00 C ATOM 503 C TYR B 420 6.397 -1.546 -15.969 1.00 0.00 C ATOM 504 O TYR B 420 5.444 -1.398 -16.732 1.00 0.00 O ATOM 505 CB TYR B 420 5.167 -2.470 -14.010 1.00 0.00 C ATOM 506 CG TYR B 420 5.127 -3.727 -14.881 1.00 0.00 C ATOM 507 CD1 TYR B 420 6.135 -4.665 -14.785 1.00 0.00 C ATOM 508 CD2 TYR B 420 4.083 -3.924 -15.762 1.00 0.00 C ATOM 509 CE1 TYR B 420 6.098 -5.848 -15.604 1.00 0.00 C ATOM 510 CE2 TYR B 420 4.046 -5.107 -16.581 1.00 0.00 C ATOM 511 CZ TYR B 420 5.055 -6.011 -16.462 1.00 0.00 C ATOM 512 OH TYR B 420 5.020 -7.129 -17.236 1.00 0.00 O ATOM 0 H TYR B 420 4.725 0.048 -14.457 1.00 0.00 H new ATOM 0 HA TYR B 420 7.175 -1.590 -13.985 1.00 0.00 H new ATOM 0 HB2 TYR B 420 5.377 -2.760 -12.981 1.00 0.00 H new ATOM 0 HB3 TYR B 420 4.181 -2.005 -14.015 1.00 0.00 H new ATOM 0 HD1 TYR B 420 6.952 -4.511 -14.095 1.00 0.00 H new ATOM 0 HD2 TYR B 420 3.294 -3.190 -15.837 1.00 0.00 H new ATOM 0 HE1 TYR B 420 6.881 -6.589 -15.539 1.00 0.00 H new ATOM 0 HE2 TYR B 420 3.235 -5.273 -17.275 1.00 0.00 H new ATOM 0 HH TYR B 420 4.470 -7.812 -16.799 1.00 0.00 H new ATOM 522 N THR B 421 7.637 -1.803 -16.358 1.00 0.00 N ATOM 523 CA THR B 421 7.968 -1.934 -17.767 1.00 0.00 C ATOM 524 C THR B 421 7.687 -3.358 -18.250 1.00 0.00 C ATOM 525 O THR B 421 8.344 -4.305 -17.819 1.00 0.00 O ATOM 526 CB THR B 421 9.425 -1.506 -17.952 1.00 0.00 C ATOM 527 OG1 THR B 421 9.353 -0.092 -18.116 1.00 0.00 O ATOM 528 CG2 THR B 421 10.018 -2.004 -19.272 1.00 0.00 C ATOM 0 H THR B 421 8.425 -1.924 -15.722 1.00 0.00 H new ATOM 0 HA THR B 421 7.343 -1.286 -18.382 1.00 0.00 H new ATOM 0 HB THR B 421 10.022 -1.881 -17.121 1.00 0.00 H new ATOM 0 HG1 THR B 421 10.255 0.269 -18.240 1.00 0.00 H new ATOM 0 HG21 THR B 421 11.053 -1.673 -19.354 1.00 0.00 H new ATOM 0 HG22 THR B 421 9.982 -3.093 -19.299 1.00 0.00 H new ATOM 0 HG23 THR B 421 9.442 -1.601 -20.105 1.00 0.00 H new ATOM 536 N ALA B 422 6.710 -3.466 -19.138 1.00 0.00 N ATOM 537 CA ALA B 422 6.334 -4.759 -19.685 1.00 0.00 C ATOM 538 C ALA B 422 6.695 -4.804 -21.171 1.00 0.00 C ATOM 539 O ALA B 422 6.149 -4.045 -21.969 1.00 0.00 O ATOM 540 CB ALA B 422 4.844 -5.003 -19.439 1.00 0.00 C ATOM 0 H ALA B 422 6.167 -2.679 -19.493 1.00 0.00 H new ATOM 0 HA ALA B 422 6.882 -5.560 -19.189 1.00 0.00 H new ATOM 0 HB1 ALA B 422 4.562 -5.973 -19.849 1.00 0.00 H new ATOM 0 HB2 ALA B 422 4.645 -4.990 -18.367 1.00 0.00 H new ATOM 0 HB3 ALA B 422 4.262 -4.220 -19.925 1.00 0.00 H new ATOM 546 N THR B 423 7.613 -5.702 -21.496 1.00 0.00 N ATOM 547 CA THR B 423 8.054 -5.856 -22.872 1.00 0.00 C ATOM 548 C THR B 423 7.764 -7.273 -23.370 1.00 0.00 C ATOM 549 O THR B 423 8.567 -8.182 -23.170 1.00 0.00 O ATOM 550 CB THR B 423 9.536 -5.481 -22.938 1.00 0.00 C ATOM 551 OG1 THR B 423 10.205 -6.610 -22.383 1.00 0.00 O ATOM 552 CG2 THR B 423 9.893 -4.333 -21.991 1.00 0.00 C ATOM 0 H THR B 423 8.063 -6.330 -20.831 1.00 0.00 H new ATOM 0 HA THR B 423 7.505 -5.192 -23.540 1.00 0.00 H new ATOM 0 HB THR B 423 9.794 -5.202 -23.960 1.00 0.00 H new ATOM 0 HG1 THR B 423 10.048 -7.394 -22.949 1.00 0.00 H new ATOM 0 HG21 THR B 423 10.956 -4.107 -22.077 1.00 0.00 H new ATOM 0 HG22 THR B 423 9.312 -3.450 -22.255 1.00 0.00 H new ATOM 0 HG23 THR B 423 9.666 -4.624 -20.965 1.00 0.00 H new ATOM 560 N ASP B 424 6.612 -7.416 -24.010 1.00 0.00 N ATOM 561 CA ASP B 424 6.204 -8.707 -24.537 1.00 0.00 C ATOM 562 C ASP B 424 5.498 -8.505 -25.879 1.00 0.00 C ATOM 563 O ASP B 424 5.426 -7.386 -26.384 1.00 0.00 O ATOM 564 CB ASP B 424 5.228 -9.406 -23.589 1.00 0.00 C ATOM 565 CG ASP B 424 5.334 -10.932 -23.561 1.00 0.00 C ATOM 566 OD1 ASP B 424 6.371 -11.419 -23.062 1.00 0.00 O ATOM 567 OD2 ASP B 424 4.376 -11.577 -24.039 1.00 0.00 O ATOM 0 H ASP B 424 5.949 -6.659 -24.175 1.00 0.00 H new ATOM 0 HA ASP B 424 7.097 -9.322 -24.652 1.00 0.00 H new ATOM 0 HB2 ASP B 424 5.391 -9.027 -22.580 1.00 0.00 H new ATOM 0 HB3 ASP B 424 4.211 -9.133 -23.872 1.00 0.00 H new ATOM 572 N THR B 425 4.996 -9.606 -26.419 1.00 0.00 N ATOM 573 CA THR B 425 4.298 -9.564 -27.692 1.00 0.00 C ATOM 574 C THR B 425 2.821 -9.224 -27.480 1.00 0.00 C ATOM 575 O THR B 425 2.075 -9.051 -28.443 1.00 0.00 O ATOM 576 CB THR B 425 4.517 -10.904 -28.397 1.00 0.00 C ATOM 577 OG1 THR B 425 3.916 -10.726 -29.677 1.00 0.00 O ATOM 578 CG2 THR B 425 3.712 -12.039 -27.761 1.00 0.00 C ATOM 0 H THR B 425 5.059 -10.533 -25.998 1.00 0.00 H new ATOM 0 HA THR B 425 4.693 -8.775 -28.332 1.00 0.00 H new ATOM 0 HB THR B 425 5.577 -11.156 -28.376 1.00 0.00 H new ATOM 0 HG1 THR B 425 3.219 -10.040 -29.619 1.00 0.00 H new ATOM 0 HG21 THR B 425 3.904 -12.967 -28.299 1.00 0.00 H new ATOM 0 HG22 THR B 425 4.009 -12.156 -26.719 1.00 0.00 H new ATOM 0 HG23 THR B 425 2.649 -11.804 -27.811 1.00 0.00 H new ATOM 586 N ASP B 426 2.443 -9.138 -26.213 1.00 0.00 N ATOM 587 CA ASP B 426 1.068 -8.823 -25.862 1.00 0.00 C ATOM 588 C ASP B 426 1.006 -8.397 -24.394 1.00 0.00 C ATOM 589 O ASP B 426 0.065 -8.745 -23.682 1.00 0.00 O ATOM 590 CB ASP B 426 0.162 -10.043 -26.040 1.00 0.00 C ATOM 591 CG ASP B 426 -0.279 -10.317 -27.479 1.00 0.00 C ATOM 592 OD1 ASP B 426 -0.574 -9.326 -28.181 1.00 0.00 O ATOM 593 OD2 ASP B 426 -0.311 -11.512 -27.844 1.00 0.00 O ATOM 0 H ASP B 426 3.065 -9.281 -25.417 1.00 0.00 H new ATOM 0 HA ASP B 426 0.727 -8.022 -26.517 1.00 0.00 H new ATOM 0 HB2 ASP B 426 0.684 -10.922 -25.662 1.00 0.00 H new ATOM 0 HB3 ASP B 426 -0.727 -9.910 -25.423 1.00 0.00 H new ATOM 598 N GLU B 427 2.021 -7.651 -23.984 1.00 0.00 N ATOM 599 CA GLU B 427 2.094 -7.174 -22.613 1.00 0.00 C ATOM 600 C GLU B 427 1.448 -5.792 -22.498 1.00 0.00 C ATOM 601 O GLU B 427 1.149 -5.156 -23.507 1.00 0.00 O ATOM 602 CB GLU B 427 3.541 -7.146 -22.118 1.00 0.00 C ATOM 603 CG GLU B 427 3.762 -8.178 -21.011 1.00 0.00 C ATOM 604 CD GLU B 427 2.685 -8.063 -19.931 1.00 0.00 C ATOM 605 OE1 GLU B 427 2.639 -6.993 -19.287 1.00 0.00 O ATOM 606 OE2 GLU B 427 1.932 -9.048 -19.773 1.00 0.00 O ATOM 0 H GLU B 427 2.800 -7.365 -24.577 1.00 0.00 H new ATOM 0 HA GLU B 427 1.542 -7.866 -21.978 1.00 0.00 H new ATOM 0 HB2 GLU B 427 4.217 -7.348 -22.949 1.00 0.00 H new ATOM 0 HB3 GLU B 427 3.782 -6.151 -21.745 1.00 0.00 H new ATOM 0 HG2 GLU B 427 3.749 -9.181 -21.437 1.00 0.00 H new ATOM 0 HG3 GLU B 427 4.746 -8.033 -20.565 1.00 0.00 H new ATOM 613 N LEU B 428 1.251 -5.368 -21.258 1.00 0.00 N ATOM 614 CA LEU B 428 0.646 -4.073 -20.997 1.00 0.00 C ATOM 615 C LEU B 428 1.578 -3.249 -20.107 1.00 0.00 C ATOM 616 O LEU B 428 1.801 -3.595 -18.947 1.00 0.00 O ATOM 617 CB LEU B 428 -0.761 -4.245 -20.422 1.00 0.00 C ATOM 618 CG LEU B 428 -1.844 -3.340 -21.014 1.00 0.00 C ATOM 619 CD1 LEU B 428 -1.378 -1.884 -21.056 1.00 0.00 C ATOM 620 CD2 LEU B 428 -2.285 -3.842 -22.390 1.00 0.00 C ATOM 0 H LEU B 428 1.500 -5.899 -20.423 1.00 0.00 H new ATOM 0 HA LEU B 428 0.520 -3.518 -21.926 1.00 0.00 H new ATOM 0 HB2 LEU B 428 -1.065 -5.282 -20.563 1.00 0.00 H new ATOM 0 HB3 LEU B 428 -0.717 -4.069 -19.347 1.00 0.00 H new ATOM 0 HG LEU B 428 -2.717 -3.379 -20.363 1.00 0.00 H new ATOM 0 HD11 LEU B 428 -2.166 -1.262 -21.481 1.00 0.00 H new ATOM 0 HD12 LEU B 428 -1.153 -1.545 -20.045 1.00 0.00 H new ATOM 0 HD13 LEU B 428 -0.482 -1.806 -21.672 1.00 0.00 H new ATOM 0 HD21 LEU B 428 -3.055 -3.182 -22.789 1.00 0.00 H new ATOM 0 HD22 LEU B 428 -1.429 -3.851 -23.065 1.00 0.00 H new ATOM 0 HD23 LEU B 428 -2.685 -4.852 -22.298 1.00 0.00 H new ATOM 632 N GLN B 429 2.097 -2.174 -20.682 1.00 0.00 N ATOM 633 CA GLN B 429 2.999 -1.298 -19.954 1.00 0.00 C ATOM 634 C GLN B 429 2.206 -0.357 -19.044 1.00 0.00 C ATOM 635 O GLN B 429 1.246 0.274 -19.484 1.00 0.00 O ATOM 636 CB GLN B 429 3.890 -0.508 -20.915 1.00 0.00 C ATOM 637 CG GLN B 429 5.206 -0.113 -20.243 1.00 0.00 C ATOM 638 CD GLN B 429 6.344 -0.042 -21.263 1.00 0.00 C ATOM 639 OE1 GLN B 429 6.851 1.017 -21.593 1.00 0.00 O ATOM 640 NE2 GLN B 429 6.715 -1.226 -21.743 1.00 0.00 N ATOM 0 H GLN B 429 1.910 -1.890 -21.644 1.00 0.00 H new ATOM 0 HA GLN B 429 3.648 -1.914 -19.331 1.00 0.00 H new ATOM 0 HB2 GLN B 429 4.096 -1.108 -21.802 1.00 0.00 H new ATOM 0 HB3 GLN B 429 3.366 0.387 -21.250 1.00 0.00 H new ATOM 0 HG2 GLN B 429 5.092 0.854 -19.753 1.00 0.00 H new ATOM 0 HG3 GLN B 429 5.454 -0.837 -19.467 1.00 0.00 H new ATOM 0 HE21 GLN B 429 6.248 -2.075 -21.424 1.00 0.00 H new ATOM 0 HE22 GLN B 429 7.466 -1.285 -22.430 1.00 0.00 H new ATOM 649 N LEU B 430 2.636 -0.294 -17.793 1.00 0.00 N ATOM 650 CA LEU B 430 1.978 0.558 -16.817 1.00 0.00 C ATOM 651 C LEU B 430 3.002 1.525 -16.219 1.00 0.00 C ATOM 652 O LEU B 430 4.137 1.140 -15.944 1.00 0.00 O ATOM 653 CB LEU B 430 1.247 -0.288 -15.773 1.00 0.00 C ATOM 654 CG LEU B 430 -0.119 -0.835 -16.190 1.00 0.00 C ATOM 655 CD1 LEU B 430 -1.184 0.263 -16.155 1.00 0.00 C ATOM 656 CD2 LEU B 430 -0.043 -1.516 -17.558 1.00 0.00 C ATOM 0 H LEU B 430 3.432 -0.819 -17.432 1.00 0.00 H new ATOM 0 HA LEU B 430 1.209 1.164 -17.296 1.00 0.00 H new ATOM 0 HB2 LEU B 430 1.886 -1.129 -15.504 1.00 0.00 H new ATOM 0 HB3 LEU B 430 1.116 0.314 -14.874 1.00 0.00 H new ATOM 0 HG LEU B 430 -0.417 -1.595 -15.468 1.00 0.00 H new ATOM 0 HD11 LEU B 430 -2.146 -0.153 -16.456 1.00 0.00 H new ATOM 0 HD12 LEU B 430 -1.262 0.662 -15.144 1.00 0.00 H new ATOM 0 HD13 LEU B 430 -0.904 1.063 -16.840 1.00 0.00 H new ATOM 0 HD21 LEU B 430 -1.028 -1.896 -17.830 1.00 0.00 H new ATOM 0 HD22 LEU B 430 0.287 -0.795 -18.306 1.00 0.00 H new ATOM 0 HD23 LEU B 430 0.666 -2.343 -17.514 1.00 0.00 H new ATOM 668 N LYS B 431 2.563 2.762 -16.035 1.00 0.00 N ATOM 669 CA LYS B 431 3.427 3.786 -15.473 1.00 0.00 C ATOM 670 C LYS B 431 2.742 4.414 -14.258 1.00 0.00 C ATOM 671 O LYS B 431 1.612 4.892 -14.355 1.00 0.00 O ATOM 672 CB LYS B 431 3.824 4.800 -16.548 1.00 0.00 C ATOM 673 CG LYS B 431 2.725 4.941 -17.603 1.00 0.00 C ATOM 674 CD LYS B 431 1.618 5.880 -17.120 1.00 0.00 C ATOM 675 CE LYS B 431 0.768 6.374 -18.292 1.00 0.00 C ATOM 676 NZ LYS B 431 1.127 7.766 -18.643 1.00 0.00 N ATOM 0 H LYS B 431 1.621 3.078 -16.265 1.00 0.00 H new ATOM 0 HA LYS B 431 4.361 3.347 -15.121 1.00 0.00 H new ATOM 0 HB2 LYS B 431 4.016 5.768 -16.086 1.00 0.00 H new ATOM 0 HB3 LYS B 431 4.752 4.485 -17.025 1.00 0.00 H new ATOM 0 HG2 LYS B 431 3.153 5.324 -18.530 1.00 0.00 H new ATOM 0 HG3 LYS B 431 2.303 3.961 -17.827 1.00 0.00 H new ATOM 0 HD2 LYS B 431 0.985 5.361 -16.400 1.00 0.00 H new ATOM 0 HD3 LYS B 431 2.059 6.731 -16.602 1.00 0.00 H new ATOM 0 HE2 LYS B 431 0.917 5.725 -19.155 1.00 0.00 H new ATOM 0 HE3 LYS B 431 -0.289 6.320 -18.031 1.00 0.00 H new ATOM 0 HZ1 LYS B 431 0.540 8.085 -19.440 1.00 0.00 H new ATOM 0 HZ2 LYS B 431 0.963 8.384 -17.823 1.00 0.00 H new ATOM 0 HZ3 LYS B 431 2.131 7.808 -18.913 1.00 0.00 H new ATOM 690 N ALA B 432 3.454 4.394 -13.141 1.00 0.00 N ATOM 691 CA ALA B 432 2.929 4.957 -11.908 1.00 0.00 C ATOM 692 C ALA B 432 1.971 6.102 -12.243 1.00 0.00 C ATOM 693 O ALA B 432 2.406 7.197 -12.596 1.00 0.00 O ATOM 694 CB ALA B 432 4.089 5.408 -11.018 1.00 0.00 C ATOM 0 H ALA B 432 4.390 3.997 -13.064 1.00 0.00 H new ATOM 0 HA ALA B 432 2.365 4.207 -11.353 1.00 0.00 H new ATOM 0 HB1 ALA B 432 3.695 5.830 -10.093 1.00 0.00 H new ATOM 0 HB2 ALA B 432 4.723 4.552 -10.785 1.00 0.00 H new ATOM 0 HB3 ALA B 432 4.676 6.163 -11.541 1.00 0.00 H new ATOM 700 N GLY B 433 0.685 5.809 -12.119 1.00 0.00 N ATOM 701 CA GLY B 433 -0.339 6.801 -12.402 1.00 0.00 C ATOM 702 C GLY B 433 -0.881 6.638 -13.824 1.00 0.00 C ATOM 703 O GLY B 433 -1.026 7.618 -14.553 1.00 0.00 O ATOM 0 H GLY B 433 0.328 4.899 -11.826 1.00 0.00 H new ATOM 0 HA2 GLY B 433 -1.154 6.703 -11.685 1.00 0.00 H new ATOM 0 HA3 GLY B 433 0.075 7.802 -12.279 1.00 0.00 H new ATOM 707 N ASP B 434 -1.167 5.393 -14.175 1.00 0.00 N ATOM 708 CA ASP B 434 -1.689 5.089 -15.496 1.00 0.00 C ATOM 709 C ASP B 434 -3.172 4.731 -15.384 1.00 0.00 C ATOM 710 O ASP B 434 -3.667 4.458 -14.292 1.00 0.00 O ATOM 711 CB ASP B 434 -0.960 3.895 -16.115 1.00 0.00 C ATOM 712 CG ASP B 434 -0.837 3.932 -17.640 1.00 0.00 C ATOM 713 OD1 ASP B 434 -1.791 4.432 -18.274 1.00 0.00 O ATOM 714 OD2 ASP B 434 0.208 3.459 -18.137 1.00 0.00 O ATOM 0 H ASP B 434 -1.047 4.583 -13.567 1.00 0.00 H new ATOM 0 HA ASP B 434 -1.543 5.967 -16.126 1.00 0.00 H new ATOM 0 HB2 ASP B 434 0.040 3.837 -15.686 1.00 0.00 H new ATOM 0 HB3 ASP B 434 -1.482 2.982 -15.830 1.00 0.00 H new ATOM 719 N VAL B 435 -3.840 4.743 -16.528 1.00 0.00 N ATOM 720 CA VAL B 435 -5.256 4.423 -16.572 1.00 0.00 C ATOM 721 C VAL B 435 -5.472 3.208 -17.476 1.00 0.00 C ATOM 722 O VAL B 435 -5.190 3.261 -18.672 1.00 0.00 O ATOM 723 CB VAL B 435 -6.056 5.649 -17.018 1.00 0.00 C ATOM 724 CG1 VAL B 435 -6.393 6.547 -15.825 1.00 0.00 C ATOM 725 CG2 VAL B 435 -5.306 6.430 -18.098 1.00 0.00 C ATOM 0 H VAL B 435 -3.426 4.970 -17.432 1.00 0.00 H new ATOM 0 HA VAL B 435 -5.619 4.158 -15.579 1.00 0.00 H new ATOM 0 HB VAL B 435 -6.994 5.299 -17.449 1.00 0.00 H new ATOM 0 HG11 VAL B 435 -6.962 7.411 -16.169 1.00 0.00 H new ATOM 0 HG12 VAL B 435 -6.987 5.986 -15.103 1.00 0.00 H new ATOM 0 HG13 VAL B 435 -5.471 6.885 -15.352 1.00 0.00 H new ATOM 0 HG21 VAL B 435 -5.897 7.296 -18.397 1.00 0.00 H new ATOM 0 HG22 VAL B 435 -4.346 6.764 -17.705 1.00 0.00 H new ATOM 0 HG23 VAL B 435 -5.141 5.788 -18.963 1.00 0.00 H new ATOM 735 N VAL B 436 -5.971 2.141 -16.870 1.00 0.00 N ATOM 736 CA VAL B 436 -6.229 0.914 -17.605 1.00 0.00 C ATOM 737 C VAL B 436 -7.680 0.484 -17.378 1.00 0.00 C ATOM 738 O VAL B 436 -8.237 0.710 -16.305 1.00 0.00 O ATOM 739 CB VAL B 436 -5.217 -0.160 -17.203 1.00 0.00 C ATOM 740 CG1 VAL B 436 -5.423 -1.439 -18.017 1.00 0.00 C ATOM 741 CG2 VAL B 436 -3.784 0.356 -17.345 1.00 0.00 C ATOM 0 H VAL B 436 -6.204 2.100 -15.878 1.00 0.00 H new ATOM 0 HA VAL B 436 -6.102 1.076 -18.675 1.00 0.00 H new ATOM 0 HB VAL B 436 -5.383 -0.401 -16.153 1.00 0.00 H new ATOM 0 HG11 VAL B 436 -4.691 -2.186 -17.712 1.00 0.00 H new ATOM 0 HG12 VAL B 436 -6.428 -1.823 -17.843 1.00 0.00 H new ATOM 0 HG13 VAL B 436 -5.297 -1.220 -19.077 1.00 0.00 H new ATOM 0 HG21 VAL B 436 -3.085 -0.427 -17.053 1.00 0.00 H new ATOM 0 HG22 VAL B 436 -3.600 0.639 -18.382 1.00 0.00 H new ATOM 0 HG23 VAL B 436 -3.645 1.225 -16.702 1.00 0.00 H new ATOM 751 N LEU B 437 -8.250 -0.127 -18.406 1.00 0.00 N ATOM 752 CA LEU B 437 -9.625 -0.590 -18.332 1.00 0.00 C ATOM 753 C LEU B 437 -9.642 -2.119 -18.274 1.00 0.00 C ATOM 754 O LEU B 437 -9.037 -2.782 -19.114 1.00 0.00 O ATOM 755 CB LEU B 437 -10.448 -0.010 -19.484 1.00 0.00 C ATOM 756 CG LEU B 437 -9.684 0.864 -20.481 1.00 0.00 C ATOM 757 CD1 LEU B 437 -10.581 1.273 -21.651 1.00 0.00 C ATOM 758 CD2 LEU B 437 -9.063 2.076 -19.783 1.00 0.00 C ATOM 0 H LEU B 437 -7.785 -0.312 -19.295 1.00 0.00 H new ATOM 0 HA LEU B 437 -10.099 -0.231 -17.419 1.00 0.00 H new ATOM 0 HB2 LEU B 437 -10.904 -0.836 -20.030 1.00 0.00 H new ATOM 0 HB3 LEU B 437 -11.261 0.581 -19.062 1.00 0.00 H new ATOM 0 HG LEU B 437 -8.865 0.276 -20.894 1.00 0.00 H new ATOM 0 HD11 LEU B 437 -10.014 1.893 -22.345 1.00 0.00 H new ATOM 0 HD12 LEU B 437 -10.934 0.381 -22.168 1.00 0.00 H new ATOM 0 HD13 LEU B 437 -11.435 1.837 -21.275 1.00 0.00 H new ATOM 0 HD21 LEU B 437 -8.526 2.681 -20.514 1.00 0.00 H new ATOM 0 HD22 LEU B 437 -9.850 2.675 -19.325 1.00 0.00 H new ATOM 0 HD23 LEU B 437 -8.370 1.737 -19.013 1.00 0.00 H new ATOM 770 N VAL B 438 -10.342 -2.634 -17.273 1.00 0.00 N ATOM 771 CA VAL B 438 -10.446 -4.072 -17.095 1.00 0.00 C ATOM 772 C VAL B 438 -11.473 -4.631 -18.081 1.00 0.00 C ATOM 773 O VAL B 438 -12.658 -4.315 -17.994 1.00 0.00 O ATOM 774 CB VAL B 438 -10.779 -4.395 -15.637 1.00 0.00 C ATOM 775 CG1 VAL B 438 -11.041 -5.892 -15.453 1.00 0.00 C ATOM 776 CG2 VAL B 438 -9.668 -3.914 -14.701 1.00 0.00 C ATOM 0 H VAL B 438 -10.842 -2.081 -16.577 1.00 0.00 H new ATOM 0 HA VAL B 438 -9.493 -4.554 -17.312 1.00 0.00 H new ATOM 0 HB VAL B 438 -11.692 -3.860 -15.376 1.00 0.00 H new ATOM 0 HG11 VAL B 438 -11.275 -6.095 -14.408 1.00 0.00 H new ATOM 0 HG12 VAL B 438 -11.881 -6.194 -16.078 1.00 0.00 H new ATOM 0 HG13 VAL B 438 -10.153 -6.455 -15.742 1.00 0.00 H new ATOM 0 HG21 VAL B 438 -9.930 -4.156 -13.671 1.00 0.00 H new ATOM 0 HG22 VAL B 438 -8.732 -4.408 -14.963 1.00 0.00 H new ATOM 0 HG23 VAL B 438 -9.549 -2.835 -14.801 1.00 0.00 H new ATOM 786 N ILE B 439 -10.981 -5.453 -18.997 1.00 0.00 N ATOM 787 CA ILE B 439 -11.841 -6.059 -19.998 1.00 0.00 C ATOM 788 C ILE B 439 -11.744 -7.582 -19.893 1.00 0.00 C ATOM 789 O ILE B 439 -10.722 -8.115 -19.464 1.00 0.00 O ATOM 790 CB ILE B 439 -11.508 -5.517 -21.390 1.00 0.00 C ATOM 791 CG1 ILE B 439 -10.132 -5.999 -21.851 1.00 0.00 C ATOM 792 CG2 ILE B 439 -11.623 -3.991 -21.425 1.00 0.00 C ATOM 793 CD1 ILE B 439 -9.055 -4.956 -21.547 1.00 0.00 C ATOM 0 H ILE B 439 -9.997 -5.713 -19.066 1.00 0.00 H new ATOM 0 HA ILE B 439 -12.882 -5.792 -19.817 1.00 0.00 H new ATOM 0 HB ILE B 439 -12.240 -5.912 -22.095 1.00 0.00 H new ATOM 0 HG12 ILE B 439 -9.886 -6.937 -21.353 1.00 0.00 H new ATOM 0 HG13 ILE B 439 -10.154 -6.203 -22.922 1.00 0.00 H new ATOM 0 HG21 ILE B 439 -11.381 -3.631 -22.425 1.00 0.00 H new ATOM 0 HG22 ILE B 439 -12.641 -3.697 -21.169 1.00 0.00 H new ATOM 0 HG23 ILE B 439 -10.929 -3.557 -20.705 1.00 0.00 H new ATOM 0 HD11 ILE B 439 -8.086 -5.324 -21.885 1.00 0.00 H new ATOM 0 HD12 ILE B 439 -9.291 -4.027 -22.066 1.00 0.00 H new ATOM 0 HD13 ILE B 439 -9.019 -4.773 -20.473 1.00 0.00 H new ATOM 805 N PRO B 440 -12.852 -8.258 -20.301 1.00 0.00 N ATOM 806 CA PRO B 440 -12.901 -9.710 -20.256 1.00 0.00 C ATOM 807 C PRO B 440 -12.069 -10.322 -21.385 1.00 0.00 C ATOM 808 O PRO B 440 -12.372 -10.125 -22.561 1.00 0.00 O ATOM 809 CB PRO B 440 -14.378 -10.056 -20.352 1.00 0.00 C ATOM 810 CG PRO B 440 -15.061 -8.819 -20.912 1.00 0.00 C ATOM 811 CD PRO B 440 -14.081 -7.661 -20.814 1.00 0.00 C ATOM 0 HA PRO B 440 -12.468 -10.118 -19.343 1.00 0.00 H new ATOM 0 HB2 PRO B 440 -14.536 -10.917 -21.002 1.00 0.00 H new ATOM 0 HB3 PRO B 440 -14.782 -10.316 -19.374 1.00 0.00 H new ATOM 0 HG2 PRO B 440 -15.357 -8.982 -21.948 1.00 0.00 H new ATOM 0 HG3 PRO B 440 -15.970 -8.598 -20.352 1.00 0.00 H new ATOM 0 HD2 PRO B 440 -13.919 -7.196 -21.786 1.00 0.00 H new ATOM 0 HD3 PRO B 440 -14.452 -6.883 -20.146 1.00 0.00 H new ATOM 819 N PHE B 441 -11.037 -11.051 -20.988 1.00 0.00 N ATOM 820 CA PHE B 441 -10.159 -11.693 -21.951 1.00 0.00 C ATOM 821 C PHE B 441 -10.939 -12.657 -22.847 1.00 0.00 C ATOM 822 O PHE B 441 -12.153 -12.794 -22.709 1.00 0.00 O ATOM 823 CB PHE B 441 -9.120 -12.483 -21.153 1.00 0.00 C ATOM 824 CG PHE B 441 -9.668 -13.111 -19.870 1.00 0.00 C ATOM 825 CD1 PHE B 441 -10.960 -13.531 -19.816 1.00 0.00 C ATOM 826 CD2 PHE B 441 -8.862 -13.249 -18.783 1.00 0.00 C ATOM 827 CE1 PHE B 441 -11.468 -14.114 -18.626 1.00 0.00 C ATOM 828 CE2 PHE B 441 -9.370 -13.832 -17.592 1.00 0.00 C ATOM 829 CZ PHE B 441 -10.663 -14.252 -17.539 1.00 0.00 C ATOM 0 H PHE B 441 -10.789 -11.211 -20.012 1.00 0.00 H new ATOM 0 HA PHE B 441 -9.695 -10.941 -22.590 1.00 0.00 H new ATOM 0 HB2 PHE B 441 -8.713 -13.271 -21.786 1.00 0.00 H new ATOM 0 HB3 PHE B 441 -8.293 -11.821 -20.897 1.00 0.00 H new ATOM 0 HD1 PHE B 441 -11.600 -13.421 -20.679 1.00 0.00 H new ATOM 0 HD2 PHE B 441 -7.836 -12.915 -18.826 1.00 0.00 H new ATOM 0 HE1 PHE B 441 -12.494 -14.448 -18.584 1.00 0.00 H new ATOM 0 HE2 PHE B 441 -8.730 -13.942 -16.729 1.00 0.00 H new ATOM 0 HZ PHE B 441 -11.050 -14.695 -16.633 1.00 0.00 H new ATOM 931 N ASP B 448 -3.170 -14.626 -16.157 1.00 0.00 N ATOM 932 CA ASP B 448 -2.007 -14.946 -15.347 1.00 0.00 C ATOM 933 C ASP B 448 -2.320 -14.663 -13.877 1.00 0.00 C ATOM 934 O ASP B 448 -3.198 -13.858 -13.569 1.00 0.00 O ATOM 935 CB ASP B 448 -0.804 -14.090 -15.748 1.00 0.00 C ATOM 936 CG ASP B 448 0.418 -14.225 -14.838 1.00 0.00 C ATOM 937 OD1 ASP B 448 0.935 -15.359 -14.747 1.00 0.00 O ATOM 938 OD2 ASP B 448 0.808 -13.191 -14.254 1.00 0.00 O ATOM 0 HA ASP B 448 -1.768 -15.998 -15.501 1.00 0.00 H new ATOM 0 HB2 ASP B 448 -0.512 -14.354 -16.764 1.00 0.00 H new ATOM 0 HB3 ASP B 448 -1.111 -13.044 -15.766 1.00 0.00 H new ATOM 943 N GLU B 449 -1.585 -15.340 -13.007 1.00 0.00 N ATOM 944 CA GLU B 449 -1.773 -15.172 -11.576 1.00 0.00 C ATOM 945 C GLU B 449 -1.178 -13.839 -11.116 1.00 0.00 C ATOM 946 O GLU B 449 0.037 -13.651 -11.158 1.00 0.00 O ATOM 947 CB GLU B 449 -1.163 -16.341 -10.801 1.00 0.00 C ATOM 948 CG GLU B 449 -2.253 -17.188 -10.140 1.00 0.00 C ATOM 949 CD GLU B 449 -2.823 -18.212 -11.123 1.00 0.00 C ATOM 950 OE1 GLU B 449 -2.044 -19.099 -11.535 1.00 0.00 O ATOM 951 OE2 GLU B 449 -4.026 -18.086 -11.440 1.00 0.00 O ATOM 0 H GLU B 449 -0.858 -16.007 -13.266 1.00 0.00 H new ATOM 0 HA GLU B 449 -2.843 -15.162 -11.369 1.00 0.00 H new ATOM 0 HB2 GLU B 449 -0.574 -16.962 -11.476 1.00 0.00 H new ATOM 0 HB3 GLU B 449 -0.481 -15.961 -10.040 1.00 0.00 H new ATOM 0 HG2 GLU B 449 -1.842 -17.702 -9.271 1.00 0.00 H new ATOM 0 HG3 GLU B 449 -3.052 -16.541 -9.779 1.00 0.00 H new ATOM 958 N GLY B 450 -2.062 -12.949 -10.688 1.00 0.00 N ATOM 959 CA GLY B 450 -1.639 -11.640 -10.221 1.00 0.00 C ATOM 960 C GLY B 450 -1.762 -10.595 -11.331 1.00 0.00 C ATOM 961 O GLY B 450 -1.529 -9.409 -11.101 1.00 0.00 O ATOM 0 H GLY B 450 -3.069 -13.109 -10.655 1.00 0.00 H new ATOM 0 HA2 GLY B 450 -2.246 -11.341 -9.367 1.00 0.00 H new ATOM 0 HA3 GLY B 450 -0.606 -11.689 -9.876 1.00 0.00 H new ATOM 965 N TRP B 451 -2.127 -11.073 -12.512 1.00 0.00 N ATOM 966 CA TRP B 451 -2.284 -10.195 -13.659 1.00 0.00 C ATOM 967 C TRP B 451 -3.589 -10.567 -14.365 1.00 0.00 C ATOM 968 O TRP B 451 -4.114 -11.662 -14.169 1.00 0.00 O ATOM 969 CB TRP B 451 -1.064 -10.271 -14.579 1.00 0.00 C ATOM 970 CG TRP B 451 0.274 -10.305 -13.837 1.00 0.00 C ATOM 971 CD1 TRP B 451 0.632 -11.096 -12.816 1.00 0.00 C ATOM 972 CD2 TRP B 451 1.425 -9.476 -14.102 1.00 0.00 C ATOM 973 NE1 TRP B 451 1.923 -10.838 -12.405 1.00 0.00 N ATOM 974 CE2 TRP B 451 2.421 -9.822 -13.212 1.00 0.00 C ATOM 975 CE3 TRP B 451 1.618 -8.467 -15.061 1.00 0.00 C ATOM 976 CZ2 TRP B 451 3.680 -9.208 -13.193 1.00 0.00 C ATOM 977 CZ3 TRP B 451 2.881 -7.863 -15.030 1.00 0.00 C ATOM 978 CH2 TRP B 451 3.895 -8.200 -14.140 1.00 0.00 C ATOM 0 H TRP B 451 -2.318 -12.057 -12.699 1.00 0.00 H new ATOM 0 HA TRP B 451 -2.345 -9.154 -13.342 1.00 0.00 H new ATOM 0 HB2 TRP B 451 -1.146 -11.163 -15.201 1.00 0.00 H new ATOM 0 HB3 TRP B 451 -1.074 -9.412 -15.250 1.00 0.00 H new ATOM 0 HD1 TRP B 451 -0.010 -11.842 -12.371 1.00 0.00 H new ATOM 0 HE1 TRP B 451 2.421 -11.307 -11.648 1.00 0.00 H new ATOM 0 HE3 TRP B 451 0.852 -8.180 -15.767 1.00 0.00 H new ATOM 0 HZ2 TRP B 451 4.443 -9.497 -12.486 1.00 0.00 H new ATOM 0 HZ3 TRP B 451 3.082 -7.081 -15.747 1.00 0.00 H new ATOM 0 HH2 TRP B 451 4.844 -7.686 -14.179 1.00 0.00 H new ATOM 989 N LEU B 452 -4.075 -9.635 -15.171 1.00 0.00 N ATOM 990 CA LEU B 452 -5.309 -9.852 -15.908 1.00 0.00 C ATOM 991 C LEU B 452 -5.239 -9.106 -17.241 1.00 0.00 C ATOM 992 O LEU B 452 -4.309 -8.337 -17.479 1.00 0.00 O ATOM 993 CB LEU B 452 -6.518 -9.471 -15.052 1.00 0.00 C ATOM 994 CG LEU B 452 -6.218 -8.661 -13.789 1.00 0.00 C ATOM 995 CD1 LEU B 452 -7.369 -7.709 -13.462 1.00 0.00 C ATOM 996 CD2 LEU B 452 -5.884 -9.582 -12.614 1.00 0.00 C ATOM 0 H LEU B 452 -3.637 -8.728 -15.330 1.00 0.00 H new ATOM 0 HA LEU B 452 -5.433 -10.910 -16.141 1.00 0.00 H new ATOM 0 HB2 LEU B 452 -7.210 -8.899 -15.670 1.00 0.00 H new ATOM 0 HB3 LEU B 452 -7.033 -10.386 -14.759 1.00 0.00 H new ATOM 0 HG LEU B 452 -5.337 -8.047 -13.978 1.00 0.00 H new ATOM 0 HD11 LEU B 452 -7.130 -7.146 -12.560 1.00 0.00 H new ATOM 0 HD12 LEU B 452 -7.517 -7.019 -14.292 1.00 0.00 H new ATOM 0 HD13 LEU B 452 -8.281 -8.283 -13.300 1.00 0.00 H new ATOM 0 HD21 LEU B 452 -5.675 -8.981 -11.729 1.00 0.00 H new ATOM 0 HD22 LEU B 452 -6.730 -10.239 -12.415 1.00 0.00 H new ATOM 0 HD23 LEU B 452 -5.008 -10.183 -12.860 1.00 0.00 H new ATOM 1008 N MET B 453 -6.235 -9.358 -18.077 1.00 0.00 N ATOM 1009 CA MET B 453 -6.299 -8.719 -19.381 1.00 0.00 C ATOM 1010 C MET B 453 -6.990 -7.357 -19.290 1.00 0.00 C ATOM 1011 O MET B 453 -8.187 -7.280 -19.019 1.00 0.00 O ATOM 1012 CB MET B 453 -7.067 -9.617 -20.353 1.00 0.00 C ATOM 1013 CG MET B 453 -7.374 -8.878 -21.657 1.00 0.00 C ATOM 1014 SD MET B 453 -6.617 -9.727 -23.032 1.00 0.00 S ATOM 1015 CE MET B 453 -4.923 -9.780 -22.470 1.00 0.00 C ATOM 0 H MET B 453 -7.005 -9.996 -17.877 1.00 0.00 H new ATOM 0 HA MET B 453 -5.281 -8.566 -19.740 1.00 0.00 H new ATOM 0 HB2 MET B 453 -6.482 -10.511 -20.567 1.00 0.00 H new ATOM 0 HB3 MET B 453 -7.997 -9.948 -19.891 1.00 0.00 H new ATOM 0 HG2 MET B 453 -8.452 -8.818 -21.805 1.00 0.00 H new ATOM 0 HG3 MET B 453 -7.002 -7.855 -21.601 1.00 0.00 H new ATOM 0 HE1 MET B 453 -4.316 -9.111 -23.080 1.00 0.00 H new ATOM 0 HE2 MET B 453 -4.875 -9.464 -21.428 1.00 0.00 H new ATOM 0 HE3 MET B 453 -4.542 -10.797 -22.558 1.00 0.00 H new ATOM 1025 N GLY B 454 -6.205 -6.315 -19.521 1.00 0.00 N ATOM 1026 CA GLY B 454 -6.725 -4.959 -19.468 1.00 0.00 C ATOM 1027 C GLY B 454 -6.209 -4.127 -20.643 1.00 0.00 C ATOM 1028 O GLY B 454 -5.396 -4.602 -21.435 1.00 0.00 O ATOM 0 H GLY B 454 -5.212 -6.382 -19.745 1.00 0.00 H new ATOM 0 HA2 GLY B 454 -7.815 -4.983 -19.486 1.00 0.00 H new ATOM 0 HA3 GLY B 454 -6.431 -4.490 -18.529 1.00 0.00 H new ATOM 1032 N VAL B 455 -6.702 -2.900 -20.720 1.00 0.00 N ATOM 1033 CA VAL B 455 -6.299 -1.997 -21.784 1.00 0.00 C ATOM 1034 C VAL B 455 -6.044 -0.606 -21.198 1.00 0.00 C ATOM 1035 O VAL B 455 -6.791 -0.145 -20.337 1.00 0.00 O ATOM 1036 CB VAL B 455 -7.352 -1.993 -22.895 1.00 0.00 C ATOM 1037 CG1 VAL B 455 -8.734 -1.645 -22.338 1.00 0.00 C ATOM 1038 CG2 VAL B 455 -6.957 -1.037 -24.021 1.00 0.00 C ATOM 0 H VAL B 455 -7.377 -2.510 -20.063 1.00 0.00 H new ATOM 0 HA VAL B 455 -5.368 -2.335 -22.238 1.00 0.00 H new ATOM 0 HB VAL B 455 -7.403 -2.998 -23.313 1.00 0.00 H new ATOM 0 HG11 VAL B 455 -9.464 -1.649 -23.147 1.00 0.00 H new ATOM 0 HG12 VAL B 455 -9.020 -2.382 -21.588 1.00 0.00 H new ATOM 0 HG13 VAL B 455 -8.704 -0.656 -21.881 1.00 0.00 H new ATOM 0 HG21 VAL B 455 -7.722 -1.053 -24.797 1.00 0.00 H new ATOM 0 HG22 VAL B 455 -6.864 -0.026 -23.624 1.00 0.00 H new ATOM 0 HG23 VAL B 455 -6.003 -1.349 -24.445 1.00 0.00 H new ATOM 1048 N LYS B 456 -4.985 0.022 -21.689 1.00 0.00 N ATOM 1049 CA LYS B 456 -4.622 1.350 -21.224 1.00 0.00 C ATOM 1050 C LYS B 456 -5.564 2.380 -21.852 1.00 0.00 C ATOM 1051 O LYS B 456 -6.206 2.104 -22.864 1.00 0.00 O ATOM 1052 CB LYS B 456 -3.142 1.626 -21.494 1.00 0.00 C ATOM 1053 CG LYS B 456 -2.333 1.595 -20.195 1.00 0.00 C ATOM 1054 CD LYS B 456 -0.889 2.038 -20.438 1.00 0.00 C ATOM 1055 CE LYS B 456 -0.278 1.289 -21.624 1.00 0.00 C ATOM 1056 NZ LYS B 456 1.109 1.746 -21.866 1.00 0.00 N ATOM 0 H LYS B 456 -4.368 -0.364 -22.403 1.00 0.00 H new ATOM 0 HA LYS B 456 -4.744 1.422 -20.143 1.00 0.00 H new ATOM 0 HB2 LYS B 456 -2.750 0.883 -22.188 1.00 0.00 H new ATOM 0 HB3 LYS B 456 -3.031 2.599 -21.973 1.00 0.00 H new ATOM 0 HG2 LYS B 456 -2.798 2.248 -19.457 1.00 0.00 H new ATOM 0 HG3 LYS B 456 -2.343 0.587 -19.780 1.00 0.00 H new ATOM 0 HD2 LYS B 456 -0.861 3.111 -20.628 1.00 0.00 H new ATOM 0 HD3 LYS B 456 -0.294 1.857 -19.543 1.00 0.00 H new ATOM 0 HE2 LYS B 456 -0.285 0.217 -21.427 1.00 0.00 H new ATOM 0 HE3 LYS B 456 -0.882 1.453 -22.516 1.00 0.00 H new ATOM 0 HZ1 LYS B 456 1.538 1.170 -22.618 1.00 0.00 H new ATOM 0 HZ2 LYS B 456 1.100 2.744 -22.157 1.00 0.00 H new ATOM 0 HZ3 LYS B 456 1.665 1.645 -20.993 1.00 0.00 H new ATOM 1070 N GLU B 457 -5.616 3.546 -21.225 1.00 0.00 N ATOM 1071 CA GLU B 457 -6.468 4.619 -21.709 1.00 0.00 C ATOM 1072 C GLU B 457 -6.085 4.996 -23.142 1.00 0.00 C ATOM 1073 O GLU B 457 -6.955 5.242 -23.976 1.00 0.00 O ATOM 1074 CB GLU B 457 -6.397 5.836 -20.785 1.00 0.00 C ATOM 1075 CG GLU B 457 -7.157 7.023 -21.381 1.00 0.00 C ATOM 1076 CD GLU B 457 -7.900 7.800 -20.293 1.00 0.00 C ATOM 1077 OE1 GLU B 457 -8.955 7.295 -19.854 1.00 0.00 O ATOM 1078 OE2 GLU B 457 -7.395 8.883 -19.924 1.00 0.00 O ATOM 0 H GLU B 457 -5.082 3.771 -20.386 1.00 0.00 H new ATOM 0 HA GLU B 457 -7.499 4.265 -21.710 1.00 0.00 H new ATOM 0 HB2 GLU B 457 -6.817 5.583 -19.811 1.00 0.00 H new ATOM 0 HB3 GLU B 457 -5.355 6.112 -20.621 1.00 0.00 H new ATOM 0 HG2 GLU B 457 -6.460 7.685 -21.894 1.00 0.00 H new ATOM 0 HG3 GLU B 457 -7.867 6.667 -22.128 1.00 0.00 H new ATOM 1085 N SER B 458 -4.783 5.028 -23.383 1.00 0.00 N ATOM 1086 CA SER B 458 -4.274 5.370 -24.700 1.00 0.00 C ATOM 1087 C SER B 458 -4.719 4.322 -25.722 1.00 0.00 C ATOM 1088 O SER B 458 -5.019 4.654 -26.867 1.00 0.00 O ATOM 1089 CB SER B 458 -2.749 5.486 -24.688 1.00 0.00 C ATOM 1090 OG SER B 458 -2.303 6.721 -25.243 1.00 0.00 O ATOM 0 H SER B 458 -4.065 4.823 -22.688 1.00 0.00 H new ATOM 0 HA SER B 458 -4.683 6.340 -24.983 1.00 0.00 H new ATOM 0 HB2 SER B 458 -2.387 5.397 -23.664 1.00 0.00 H new ATOM 0 HB3 SER B 458 -2.318 4.659 -25.252 1.00 0.00 H new ATOM 0 HG SER B 458 -1.324 6.757 -25.216 1.00 0.00 H new ATOM 1096 N ASP B 459 -4.747 3.076 -25.270 1.00 0.00 N ATOM 1097 CA ASP B 459 -5.151 1.977 -26.130 1.00 0.00 C ATOM 1098 C ASP B 459 -6.634 2.123 -26.475 1.00 0.00 C ATOM 1099 O ASP B 459 -7.058 1.766 -27.574 1.00 0.00 O ATOM 1100 CB ASP B 459 -4.959 0.631 -25.429 1.00 0.00 C ATOM 1101 CG ASP B 459 -3.518 0.117 -25.398 1.00 0.00 C ATOM 1102 OD1 ASP B 459 -2.637 0.872 -25.863 1.00 0.00 O ATOM 1103 OD2 ASP B 459 -3.331 -1.019 -24.911 1.00 0.00 O ATOM 0 H ASP B 459 -4.496 2.804 -24.319 1.00 0.00 H new ATOM 0 HA ASP B 459 -4.534 2.007 -27.028 1.00 0.00 H new ATOM 0 HB2 ASP B 459 -5.320 0.718 -24.404 1.00 0.00 H new ATOM 0 HB3 ASP B 459 -5.583 -0.112 -25.925 1.00 0.00 H new ATOM 1108 N TRP B 460 -7.383 2.649 -25.517 1.00 0.00 N ATOM 1109 CA TRP B 460 -8.810 2.846 -25.706 1.00 0.00 C ATOM 1110 C TRP B 460 -9.011 3.631 -27.003 1.00 0.00 C ATOM 1111 O TRP B 460 -9.839 3.261 -27.835 1.00 0.00 O ATOM 1112 CB TRP B 460 -9.434 3.532 -24.489 1.00 0.00 C ATOM 1113 CG TRP B 460 -10.963 3.473 -24.457 1.00 0.00 C ATOM 1114 CD1 TRP B 460 -11.801 3.235 -25.475 1.00 0.00 C ATOM 1115 CD2 TRP B 460 -11.807 3.664 -23.302 1.00 0.00 C ATOM 1116 NE1 TRP B 460 -13.118 3.260 -25.063 1.00 0.00 N ATOM 1117 CE2 TRP B 460 -13.121 3.529 -23.699 1.00 0.00 C ATOM 1118 CE3 TRP B 460 -11.471 3.942 -21.965 1.00 0.00 C ATOM 1119 CZ2 TRP B 460 -14.205 3.655 -22.822 1.00 0.00 C ATOM 1120 CZ3 TRP B 460 -12.565 4.066 -21.101 1.00 0.00 C ATOM 1121 CH2 TRP B 460 -13.894 3.933 -21.485 1.00 0.00 C ATOM 0 H TRP B 460 -7.028 2.945 -24.608 1.00 0.00 H new ATOM 0 HA TRP B 460 -9.323 1.889 -25.796 1.00 0.00 H new ATOM 0 HB2 TRP B 460 -9.044 3.068 -23.583 1.00 0.00 H new ATOM 0 HB3 TRP B 460 -9.120 4.576 -24.473 1.00 0.00 H new ATOM 0 HD1 TRP B 460 -11.485 3.047 -26.491 1.00 0.00 H new ATOM 0 HE1 TRP B 460 -13.938 3.109 -25.651 1.00 0.00 H new ATOM 0 HE3 TRP B 460 -10.450 4.051 -21.631 1.00 0.00 H new ATOM 0 HZ2 TRP B 460 -15.225 3.544 -23.158 1.00 0.00 H new ATOM 0 HZ3 TRP B 460 -12.362 4.280 -20.062 1.00 0.00 H new ATOM 0 HH2 TRP B 460 -14.683 4.043 -20.756 1.00 0.00 H new ATOM 1132 N ASN B 461 -8.240 4.701 -27.136 1.00 0.00 N ATOM 1133 CA ASN B 461 -8.323 5.541 -28.318 1.00 0.00 C ATOM 1134 C ASN B 461 -8.070 4.689 -29.563 1.00 0.00 C ATOM 1135 O ASN B 461 -8.537 5.020 -30.652 1.00 0.00 O ATOM 1136 CB ASN B 461 -7.269 6.649 -28.281 1.00 0.00 C ATOM 1137 CG ASN B 461 -7.579 7.664 -27.180 1.00 0.00 C ATOM 1138 OD1 ASN B 461 -8.310 8.622 -27.370 1.00 0.00 O ATOM 1139 ND2 ASN B 461 -6.983 7.402 -26.020 1.00 0.00 N ATOM 0 H ASN B 461 -7.555 5.005 -26.444 1.00 0.00 H new ATOM 0 HA ASN B 461 -9.316 5.989 -28.344 1.00 0.00 H new ATOM 0 HB2 ASN B 461 -6.284 6.213 -28.112 1.00 0.00 H new ATOM 0 HB3 ASN B 461 -7.233 7.154 -29.246 1.00 0.00 H new ATOM 0 HD21 ASN B 461 -7.126 8.021 -25.222 1.00 0.00 H new ATOM 0 HD22 ASN B 461 -6.383 6.582 -25.929 1.00 0.00 H new ATOM 1146 N GLN B 462 -7.332 3.607 -29.361 1.00 0.00 N ATOM 1147 CA GLN B 462 -7.011 2.705 -30.454 1.00 0.00 C ATOM 1148 C GLN B 462 -8.047 1.583 -30.538 1.00 0.00 C ATOM 1149 O GLN B 462 -7.802 0.553 -31.165 1.00 0.00 O ATOM 1150 CB GLN B 462 -5.598 2.138 -30.299 1.00 0.00 C ATOM 1151 CG GLN B 462 -4.576 3.258 -30.098 1.00 0.00 C ATOM 1152 CD GLN B 462 -4.890 4.455 -30.999 1.00 0.00 C ATOM 1153 OE1 GLN B 462 -5.011 4.340 -32.207 1.00 0.00 O ATOM 1154 NE2 GLN B 462 -5.015 5.606 -30.345 1.00 0.00 N ATOM 0 H GLN B 462 -6.947 3.335 -28.456 1.00 0.00 H new ATOM 0 HA GLN B 462 -7.040 3.269 -31.386 1.00 0.00 H new ATOM 0 HB2 GLN B 462 -5.567 1.456 -29.449 1.00 0.00 H new ATOM 0 HB3 GLN B 462 -5.337 1.557 -31.183 1.00 0.00 H new ATOM 0 HG2 GLN B 462 -4.577 3.573 -29.055 1.00 0.00 H new ATOM 0 HG3 GLN B 462 -3.575 2.886 -30.317 1.00 0.00 H new ATOM 0 HE21 GLN B 462 -4.901 5.632 -29.332 1.00 0.00 H new ATOM 0 HE22 GLN B 462 -5.225 6.463 -30.857 1.00 0.00 H new ATOM 1163 N HIS B 463 -9.182 1.819 -29.897 1.00 0.00 N ATOM 1164 CA HIS B 463 -10.256 0.840 -29.891 1.00 0.00 C ATOM 1165 C HIS B 463 -10.464 0.298 -31.306 1.00 0.00 C ATOM 1166 O HIS B 463 -10.978 -0.806 -31.483 1.00 0.00 O ATOM 1167 CB HIS B 463 -11.531 1.437 -29.292 1.00 0.00 C ATOM 1168 CG HIS B 463 -12.805 0.835 -29.836 1.00 0.00 C ATOM 1169 ND1 HIS B 463 -13.413 -0.272 -29.270 1.00 0.00 N ATOM 1170 CD2 HIS B 463 -13.579 1.199 -30.898 1.00 0.00 C ATOM 1171 CE1 HIS B 463 -14.502 -0.554 -29.970 1.00 0.00 C ATOM 1172 NE2 HIS B 463 -14.603 0.359 -30.979 1.00 0.00 N ATOM 0 H HIS B 463 -9.382 2.674 -29.378 1.00 0.00 H new ATOM 0 HA HIS B 463 -9.983 -0.001 -29.254 1.00 0.00 H new ATOM 0 HB2 HIS B 463 -11.510 1.302 -28.211 1.00 0.00 H new ATOM 0 HB3 HIS B 463 -11.540 2.511 -29.479 1.00 0.00 H new ATOM 0 HD2 HIS B 463 -13.390 2.030 -31.561 1.00 0.00 H new ATOM 0 HE1 HIS B 463 -15.189 -1.364 -29.776 1.00 0.00 H new ATOM 0 HE2 HIS B 463 -15.343 0.391 -31.680 1.00 0.00 H new ATOM 1180 N LYS B 464 -10.053 1.098 -32.279 1.00 0.00 N ATOM 1181 CA LYS B 464 -10.187 0.712 -33.673 1.00 0.00 C ATOM 1182 C LYS B 464 -9.440 -0.602 -33.908 1.00 0.00 C ATOM 1183 O LYS B 464 -9.851 -1.416 -34.734 1.00 0.00 O ATOM 1184 CB LYS B 464 -9.735 1.849 -34.591 1.00 0.00 C ATOM 1185 CG LYS B 464 -9.635 1.376 -36.042 1.00 0.00 C ATOM 1186 CD LYS B 464 -8.188 1.042 -36.412 1.00 0.00 C ATOM 1187 CE LYS B 464 -7.393 2.312 -36.720 1.00 0.00 C ATOM 1188 NZ LYS B 464 -6.732 2.202 -38.040 1.00 0.00 N ATOM 0 H LYS B 464 -9.627 2.012 -32.129 1.00 0.00 H new ATOM 0 HA LYS B 464 -11.234 0.533 -33.919 1.00 0.00 H new ATOM 0 HB2 LYS B 464 -10.440 2.678 -34.523 1.00 0.00 H new ATOM 0 HB3 LYS B 464 -8.767 2.225 -34.260 1.00 0.00 H new ATOM 0 HG2 LYS B 464 -10.263 0.497 -36.186 1.00 0.00 H new ATOM 0 HG3 LYS B 464 -10.015 2.151 -36.708 1.00 0.00 H new ATOM 0 HD2 LYS B 464 -7.715 0.502 -35.592 1.00 0.00 H new ATOM 0 HD3 LYS B 464 -8.174 0.381 -37.279 1.00 0.00 H new ATOM 0 HE2 LYS B 464 -8.058 3.176 -36.710 1.00 0.00 H new ATOM 0 HE3 LYS B 464 -6.645 2.477 -35.945 1.00 0.00 H new ATOM 0 HZ1 LYS B 464 -6.197 3.072 -38.234 1.00 0.00 H new ATOM 0 HZ2 LYS B 464 -6.083 1.390 -38.036 1.00 0.00 H new ATOM 0 HZ3 LYS B 464 -7.452 2.067 -38.778 1.00 0.00 H new ATOM 1202 N LYS B 465 -8.354 -0.769 -33.167 1.00 0.00 N ATOM 1203 CA LYS B 465 -7.545 -1.971 -33.285 1.00 0.00 C ATOM 1204 C LYS B 465 -7.173 -2.468 -31.886 1.00 0.00 C ATOM 1205 O LYS B 465 -6.020 -2.811 -31.633 1.00 0.00 O ATOM 1206 CB LYS B 465 -6.337 -1.717 -34.189 1.00 0.00 C ATOM 1207 CG LYS B 465 -6.649 -2.095 -35.638 1.00 0.00 C ATOM 1208 CD LYS B 465 -5.574 -1.560 -36.587 1.00 0.00 C ATOM 1209 CE LYS B 465 -4.622 -2.676 -37.022 1.00 0.00 C ATOM 1210 NZ LYS B 465 -4.627 -2.817 -38.495 1.00 0.00 N ATOM 0 H LYS B 465 -8.015 -0.092 -32.483 1.00 0.00 H new ATOM 0 HA LYS B 465 -8.112 -2.767 -33.767 1.00 0.00 H new ATOM 0 HB2 LYS B 465 -6.053 -0.666 -34.136 1.00 0.00 H new ATOM 0 HB3 LYS B 465 -5.484 -2.295 -33.834 1.00 0.00 H new ATOM 0 HG2 LYS B 465 -6.713 -3.179 -35.729 1.00 0.00 H new ATOM 0 HG3 LYS B 465 -7.622 -1.693 -35.921 1.00 0.00 H new ATOM 0 HD2 LYS B 465 -6.046 -1.117 -37.464 1.00 0.00 H new ATOM 0 HD3 LYS B 465 -5.010 -0.768 -36.094 1.00 0.00 H new ATOM 0 HE2 LYS B 465 -3.612 -2.456 -36.675 1.00 0.00 H new ATOM 0 HE3 LYS B 465 -4.920 -3.617 -36.560 1.00 0.00 H new ATOM 0 HZ1 LYS B 465 -3.976 -3.579 -38.773 1.00 0.00 H new ATOM 0 HZ2 LYS B 465 -5.588 -3.048 -38.818 1.00 0.00 H new ATOM 0 HZ3 LYS B 465 -4.321 -1.924 -38.930 1.00 0.00 H new ATOM 1224 N LEU B 466 -8.172 -2.491 -31.016 1.00 0.00 N ATOM 1225 CA LEU B 466 -7.964 -2.941 -29.650 1.00 0.00 C ATOM 1226 C LEU B 466 -7.344 -4.340 -29.668 1.00 0.00 C ATOM 1227 O LEU B 466 -6.591 -4.700 -28.764 1.00 0.00 O ATOM 1228 CB LEU B 466 -9.268 -2.857 -28.854 1.00 0.00 C ATOM 1229 CG LEU B 466 -10.213 -4.052 -28.986 1.00 0.00 C ATOM 1230 CD1 LEU B 466 -10.442 -4.723 -27.630 1.00 0.00 C ATOM 1231 CD2 LEU B 466 -11.528 -3.641 -29.652 1.00 0.00 C ATOM 0 H LEU B 466 -9.127 -2.205 -31.230 1.00 0.00 H new ATOM 0 HA LEU B 466 -7.261 -2.286 -29.136 1.00 0.00 H new ATOM 0 HB2 LEU B 466 -9.020 -2.730 -27.800 1.00 0.00 H new ATOM 0 HB3 LEU B 466 -9.803 -1.960 -29.165 1.00 0.00 H new ATOM 0 HG LEU B 466 -9.741 -4.790 -29.634 1.00 0.00 H new ATOM 0 HD11 LEU B 466 -11.118 -5.570 -27.752 1.00 0.00 H new ATOM 0 HD12 LEU B 466 -9.490 -5.073 -27.232 1.00 0.00 H new ATOM 0 HD13 LEU B 466 -10.882 -4.005 -26.938 1.00 0.00 H new ATOM 0 HD21 LEU B 466 -12.182 -4.510 -29.734 1.00 0.00 H new ATOM 0 HD22 LEU B 466 -12.016 -2.874 -29.050 1.00 0.00 H new ATOM 0 HD23 LEU B 466 -11.324 -3.246 -30.647 1.00 0.00 H new ATOM 1243 N GLU B 467 -7.683 -5.090 -30.706 1.00 0.00 N ATOM 1244 CA GLU B 467 -7.169 -6.441 -30.853 1.00 0.00 C ATOM 1245 C GLU B 467 -5.640 -6.435 -30.809 1.00 0.00 C ATOM 1246 O GLU B 467 -5.018 -7.475 -30.596 1.00 0.00 O ATOM 1247 CB GLU B 467 -7.679 -7.084 -32.144 1.00 0.00 C ATOM 1248 CG GLU B 467 -7.957 -8.575 -31.942 1.00 0.00 C ATOM 1249 CD GLU B 467 -8.041 -9.304 -33.284 1.00 0.00 C ATOM 1250 OE1 GLU B 467 -6.960 -9.618 -33.829 1.00 0.00 O ATOM 1251 OE2 GLU B 467 -9.184 -9.532 -33.736 1.00 0.00 O ATOM 0 H GLU B 467 -8.308 -4.788 -31.454 1.00 0.00 H new ATOM 0 HA GLU B 467 -7.534 -7.041 -30.019 1.00 0.00 H new ATOM 0 HB2 GLU B 467 -8.590 -6.582 -32.469 1.00 0.00 H new ATOM 0 HB3 GLU B 467 -6.942 -6.952 -32.936 1.00 0.00 H new ATOM 0 HG2 GLU B 467 -7.168 -9.016 -31.333 1.00 0.00 H new ATOM 0 HG3 GLU B 467 -8.891 -8.704 -31.395 1.00 0.00 H new ATOM 1258 N LYS B 468 -5.078 -5.253 -31.014 1.00 0.00 N ATOM 1259 CA LYS B 468 -3.634 -5.098 -31.002 1.00 0.00 C ATOM 1260 C LYS B 468 -3.230 -4.220 -29.816 1.00 0.00 C ATOM 1261 O LYS B 468 -2.071 -3.826 -29.697 1.00 0.00 O ATOM 1262 CB LYS B 468 -3.139 -4.575 -32.351 1.00 0.00 C ATOM 1263 CG LYS B 468 -3.673 -5.432 -33.501 1.00 0.00 C ATOM 1264 CD LYS B 468 -2.530 -5.952 -34.374 1.00 0.00 C ATOM 1265 CE LYS B 468 -2.651 -5.428 -35.806 1.00 0.00 C ATOM 1266 NZ LYS B 468 -2.241 -6.468 -36.776 1.00 0.00 N ATOM 0 H LYS B 468 -5.597 -4.393 -31.190 1.00 0.00 H new ATOM 0 HA LYS B 468 -3.149 -6.064 -30.864 1.00 0.00 H new ATOM 0 HB2 LYS B 468 -3.459 -3.542 -32.484 1.00 0.00 H new ATOM 0 HB3 LYS B 468 -2.049 -4.576 -32.368 1.00 0.00 H new ATOM 0 HG2 LYS B 468 -4.240 -6.272 -33.100 1.00 0.00 H new ATOM 0 HG3 LYS B 468 -4.361 -4.844 -34.109 1.00 0.00 H new ATOM 0 HD2 LYS B 468 -1.574 -5.644 -33.950 1.00 0.00 H new ATOM 0 HD3 LYS B 468 -2.539 -7.042 -34.380 1.00 0.00 H new ATOM 0 HE2 LYS B 468 -3.679 -5.124 -36.003 1.00 0.00 H new ATOM 0 HE3 LYS B 468 -2.028 -4.542 -35.929 1.00 0.00 H new ATOM 0 HZ1 LYS B 468 -2.329 -6.095 -37.743 1.00 0.00 H new ATOM 0 HZ2 LYS B 468 -1.253 -6.738 -36.598 1.00 0.00 H new ATOM 0 HZ3 LYS B 468 -2.853 -7.302 -36.670 1.00 0.00 H new ATOM 1280 N CYS B 469 -4.208 -3.939 -28.968 1.00 0.00 N ATOM 1281 CA CYS B 469 -3.969 -3.114 -27.796 1.00 0.00 C ATOM 1282 C CYS B 469 -4.058 -4.005 -26.555 1.00 0.00 C ATOM 1283 O CYS B 469 -3.450 -3.708 -25.528 1.00 0.00 O ATOM 1284 CB CYS B 469 -4.944 -1.937 -27.724 1.00 0.00 C ATOM 1285 SG CYS B 469 -6.434 -2.415 -26.775 1.00 0.00 S ATOM 0 H CYS B 469 -5.168 -4.268 -29.069 1.00 0.00 H new ATOM 0 HA CYS B 469 -2.974 -2.673 -27.856 1.00 0.00 H new ATOM 0 HB2 CYS B 469 -4.461 -1.082 -27.251 1.00 0.00 H new ATOM 0 HB3 CYS B 469 -5.227 -1.627 -28.730 1.00 0.00 H new ATOM 0 HG CYS B 469 -6.893 -3.544 -27.227 1.00 0.00 H new ATOM 1291 N ARG B 470 -4.821 -5.080 -26.691 1.00 0.00 N ATOM 1292 CA ARG B 470 -4.997 -6.016 -25.594 1.00 0.00 C ATOM 1293 C ARG B 470 -3.639 -6.415 -25.013 1.00 0.00 C ATOM 1294 O ARG B 470 -2.663 -6.558 -25.748 1.00 0.00 O ATOM 1295 CB ARG B 470 -5.735 -7.274 -26.057 1.00 0.00 C ATOM 1296 CG ARG B 470 -7.027 -6.912 -26.793 1.00 0.00 C ATOM 1297 CD ARG B 470 -8.215 -7.700 -26.236 1.00 0.00 C ATOM 1298 NE ARG B 470 -8.745 -8.615 -27.271 1.00 0.00 N ATOM 1299 CZ ARG B 470 -9.931 -9.233 -27.191 1.00 0.00 C ATOM 1300 NH1 ARG B 470 -10.717 -9.039 -26.123 1.00 0.00 N ATOM 1301 NH2 ARG B 470 -10.331 -10.046 -28.178 1.00 0.00 N ATOM 0 H ARG B 470 -5.324 -5.323 -27.544 1.00 0.00 H new ATOM 0 HA ARG B 470 -5.592 -5.520 -24.827 1.00 0.00 H new ATOM 0 HB2 ARG B 470 -5.090 -7.858 -26.713 1.00 0.00 H new ATOM 0 HB3 ARG B 470 -5.966 -7.902 -25.196 1.00 0.00 H new ATOM 0 HG2 ARG B 470 -7.218 -5.843 -26.696 1.00 0.00 H new ATOM 0 HG3 ARG B 470 -6.914 -7.121 -27.857 1.00 0.00 H new ATOM 0 HD2 ARG B 470 -7.906 -8.269 -25.359 1.00 0.00 H new ATOM 0 HD3 ARG B 470 -8.997 -7.014 -25.911 1.00 0.00 H new ATOM 0 HE ARG B 470 -8.172 -8.786 -28.097 1.00 0.00 H new ATOM 0 HH11 ARG B 470 -10.412 -8.421 -25.371 1.00 0.00 H new ATOM 0 HH12 ARG B 470 -11.620 -9.509 -26.062 1.00 0.00 H new ATOM 0 HH21 ARG B 470 -9.733 -10.195 -28.990 1.00 0.00 H new ATOM 0 HH22 ARG B 470 -11.234 -10.516 -28.117 1.00 0.00 H new ATOM 1315 N GLY B 471 -3.620 -6.583 -23.699 1.00 0.00 N ATOM 1316 CA GLY B 471 -2.397 -6.960 -23.011 1.00 0.00 C ATOM 1317 C GLY B 471 -2.696 -7.455 -21.594 1.00 0.00 C ATOM 1318 O GLY B 471 -3.855 -7.528 -21.190 1.00 0.00 O ATOM 0 H GLY B 471 -4.432 -6.465 -23.093 1.00 0.00 H new ATOM 0 HA2 GLY B 471 -1.885 -7.742 -23.573 1.00 0.00 H new ATOM 0 HA3 GLY B 471 -1.722 -6.105 -22.967 1.00 0.00 H new ATOM 1322 N VAL B 472 -1.629 -7.780 -20.878 1.00 0.00 N ATOM 1323 CA VAL B 472 -1.763 -8.265 -19.515 1.00 0.00 C ATOM 1324 C VAL B 472 -1.083 -7.282 -18.560 1.00 0.00 C ATOM 1325 O VAL B 472 -0.052 -6.700 -18.892 1.00 0.00 O ATOM 1326 CB VAL B 472 -1.204 -9.686 -19.408 1.00 0.00 C ATOM 1327 CG1 VAL B 472 -0.961 -10.071 -17.947 1.00 0.00 C ATOM 1328 CG2 VAL B 472 -2.129 -10.692 -20.094 1.00 0.00 C ATOM 0 H VAL B 472 -0.669 -7.717 -21.216 1.00 0.00 H new ATOM 0 HA VAL B 472 -2.814 -8.321 -19.231 1.00 0.00 H new ATOM 0 HB VAL B 472 -0.244 -9.708 -19.924 1.00 0.00 H new ATOM 0 HG11 VAL B 472 -0.564 -11.085 -17.899 1.00 0.00 H new ATOM 0 HG12 VAL B 472 -0.245 -9.380 -17.503 1.00 0.00 H new ATOM 0 HG13 VAL B 472 -1.901 -10.023 -17.397 1.00 0.00 H new ATOM 0 HG21 VAL B 472 -1.708 -11.694 -20.003 1.00 0.00 H new ATOM 0 HG22 VAL B 472 -3.110 -10.666 -19.620 1.00 0.00 H new ATOM 0 HG23 VAL B 472 -2.229 -10.434 -21.148 1.00 0.00 H new ATOM 1338 N PHE B 473 -1.689 -7.127 -17.392 1.00 0.00 N ATOM 1339 CA PHE B 473 -1.155 -6.225 -16.385 1.00 0.00 C ATOM 1340 C PHE B 473 -1.415 -6.761 -14.976 1.00 0.00 C ATOM 1341 O PHE B 473 -2.443 -7.388 -14.726 1.00 0.00 O ATOM 1342 CB PHE B 473 -1.881 -4.889 -16.552 1.00 0.00 C ATOM 1343 CG PHE B 473 -3.350 -4.920 -16.125 1.00 0.00 C ATOM 1344 CD1 PHE B 473 -4.282 -5.485 -16.938 1.00 0.00 C ATOM 1345 CD2 PHE B 473 -3.723 -4.384 -14.933 1.00 0.00 C ATOM 1346 CE1 PHE B 473 -5.645 -5.515 -16.542 1.00 0.00 C ATOM 1347 CE2 PHE B 473 -5.086 -4.413 -14.536 1.00 0.00 C ATOM 1348 CZ PHE B 473 -6.019 -4.978 -15.350 1.00 0.00 C ATOM 0 H PHE B 473 -2.545 -7.611 -17.120 1.00 0.00 H new ATOM 0 HA PHE B 473 -0.077 -6.121 -16.512 1.00 0.00 H new ATOM 0 HB2 PHE B 473 -1.360 -4.129 -15.969 1.00 0.00 H new ATOM 0 HB3 PHE B 473 -1.824 -4.584 -17.597 1.00 0.00 H new ATOM 0 HD1 PHE B 473 -3.985 -5.911 -17.885 1.00 0.00 H new ATOM 0 HD2 PHE B 473 -2.982 -3.936 -14.287 1.00 0.00 H new ATOM 0 HE1 PHE B 473 -6.385 -5.964 -17.188 1.00 0.00 H new ATOM 0 HE2 PHE B 473 -5.382 -3.987 -13.589 1.00 0.00 H new ATOM 0 HZ PHE B 473 -7.056 -5.000 -15.049 1.00 0.00 H new ATOM 1358 N PRO B 474 -0.440 -6.487 -14.068 1.00 0.00 N ATOM 1359 CA PRO B 474 -0.553 -6.935 -12.690 1.00 0.00 C ATOM 1360 C PRO B 474 -1.560 -6.080 -11.918 1.00 0.00 C ATOM 1361 O PRO B 474 -1.327 -4.894 -11.689 1.00 0.00 O ATOM 1362 CB PRO B 474 0.857 -6.843 -12.130 1.00 0.00 C ATOM 1363 CG PRO B 474 1.617 -5.915 -13.063 1.00 0.00 C ATOM 1364 CD PRO B 474 0.792 -5.748 -14.329 1.00 0.00 C ATOM 0 HA PRO B 474 -0.934 -7.953 -12.608 1.00 0.00 H new ATOM 0 HB2 PRO B 474 0.848 -6.452 -11.113 1.00 0.00 H new ATOM 0 HB3 PRO B 474 1.326 -7.826 -12.090 1.00 0.00 H new ATOM 0 HG2 PRO B 474 1.785 -4.949 -12.587 1.00 0.00 H new ATOM 0 HG3 PRO B 474 2.597 -6.329 -13.298 1.00 0.00 H new ATOM 0 HD2 PRO B 474 0.588 -4.697 -14.533 1.00 0.00 H new ATOM 0 HD3 PRO B 474 1.316 -6.145 -15.198 1.00 0.00 H new ATOM 1372 N GLU B 475 -2.659 -6.716 -11.537 1.00 0.00 N ATOM 1373 CA GLU B 475 -3.702 -6.029 -10.795 1.00 0.00 C ATOM 1374 C GLU B 475 -3.220 -5.701 -9.381 1.00 0.00 C ATOM 1375 O GLU B 475 -3.688 -4.743 -8.768 1.00 0.00 O ATOM 1376 CB GLU B 475 -4.986 -6.861 -10.758 1.00 0.00 C ATOM 1377 CG GLU B 475 -5.930 -6.363 -9.661 1.00 0.00 C ATOM 1378 CD GLU B 475 -7.382 -6.374 -10.141 1.00 0.00 C ATOM 1379 OE1 GLU B 475 -7.633 -5.768 -11.204 1.00 0.00 O ATOM 1380 OE2 GLU B 475 -8.209 -6.989 -9.433 1.00 0.00 O ATOM 0 H GLU B 475 -2.849 -7.700 -11.729 1.00 0.00 H new ATOM 0 HA GLU B 475 -3.928 -5.093 -11.306 1.00 0.00 H new ATOM 0 HB2 GLU B 475 -5.486 -6.808 -11.725 1.00 0.00 H new ATOM 0 HB3 GLU B 475 -4.740 -7.908 -10.583 1.00 0.00 H new ATOM 0 HG2 GLU B 475 -5.831 -6.993 -8.777 1.00 0.00 H new ATOM 0 HG3 GLU B 475 -5.649 -5.352 -9.365 1.00 0.00 H new ATOM 1387 N ASN B 476 -2.290 -6.515 -8.903 1.00 0.00 N ATOM 1388 CA ASN B 476 -1.740 -6.324 -7.572 1.00 0.00 C ATOM 1389 C ASN B 476 -0.795 -5.121 -7.584 1.00 0.00 C ATOM 1390 O ASN B 476 -0.260 -4.736 -6.545 1.00 0.00 O ATOM 1391 CB ASN B 476 -0.940 -7.549 -7.126 1.00 0.00 C ATOM 1392 CG ASN B 476 0.208 -7.838 -8.096 1.00 0.00 C ATOM 1393 OD1 ASN B 476 1.324 -7.373 -7.934 1.00 0.00 O ATOM 1394 ND2 ASN B 476 -0.128 -8.630 -9.110 1.00 0.00 N ATOM 0 H ASN B 476 -1.904 -7.309 -9.414 1.00 0.00 H new ATOM 0 HA ASN B 476 -2.570 -6.165 -6.883 1.00 0.00 H new ATOM 0 HB2 ASN B 476 -0.542 -7.383 -6.125 1.00 0.00 H new ATOM 0 HB3 ASN B 476 -1.598 -8.416 -7.067 1.00 0.00 H new ATOM 0 HD21 ASN B 476 0.568 -8.883 -9.812 1.00 0.00 H new ATOM 0 HD22 ASN B 476 -1.081 -8.985 -9.186 1.00 0.00 H new ATOM 1401 N PHE B 477 -0.618 -4.559 -8.771 1.00 0.00 N ATOM 1402 CA PHE B 477 0.253 -3.407 -8.932 1.00 0.00 C ATOM 1403 C PHE B 477 -0.538 -2.182 -9.394 1.00 0.00 C ATOM 1404 O PHE B 477 0.043 -1.136 -9.681 1.00 0.00 O ATOM 1405 CB PHE B 477 1.282 -3.770 -10.004 1.00 0.00 C ATOM 1406 CG PHE B 477 1.601 -2.629 -10.972 1.00 0.00 C ATOM 1407 CD1 PHE B 477 0.710 -2.291 -11.942 1.00 0.00 C ATOM 1408 CD2 PHE B 477 2.776 -1.953 -10.863 1.00 0.00 C ATOM 1409 CE1 PHE B 477 1.005 -1.232 -12.841 1.00 0.00 C ATOM 1410 CE2 PHE B 477 3.072 -0.894 -11.761 1.00 0.00 C ATOM 1411 CZ PHE B 477 2.180 -0.556 -12.731 1.00 0.00 C ATOM 0 H PHE B 477 -1.063 -4.880 -9.631 1.00 0.00 H new ATOM 0 HA PHE B 477 0.726 -3.163 -7.981 1.00 0.00 H new ATOM 0 HB2 PHE B 477 2.204 -4.087 -9.516 1.00 0.00 H new ATOM 0 HB3 PHE B 477 0.913 -4.623 -10.573 1.00 0.00 H new ATOM 0 HD1 PHE B 477 -0.223 -2.828 -12.029 1.00 0.00 H new ATOM 0 HD2 PHE B 477 3.484 -2.222 -10.093 1.00 0.00 H new ATOM 0 HE1 PHE B 477 0.297 -0.964 -13.611 1.00 0.00 H new ATOM 0 HE2 PHE B 477 4.005 -0.357 -11.674 1.00 0.00 H new ATOM 0 HZ PHE B 477 2.405 0.250 -13.414 1.00 0.00 H new ATOM 1421 N THR B 478 -1.850 -2.352 -9.453 1.00 0.00 N ATOM 1422 CA THR B 478 -2.727 -1.273 -9.874 1.00 0.00 C ATOM 1423 C THR B 478 -3.864 -1.085 -8.868 1.00 0.00 C ATOM 1424 O THR B 478 -4.001 -1.867 -7.928 1.00 0.00 O ATOM 1425 CB THR B 478 -3.214 -1.585 -11.291 1.00 0.00 C ATOM 1426 OG1 THR B 478 -3.385 -3.000 -11.295 1.00 0.00 O ATOM 1427 CG2 THR B 478 -2.138 -1.336 -12.349 1.00 0.00 C ATOM 0 H THR B 478 -2.328 -3.222 -9.216 1.00 0.00 H new ATOM 0 HA THR B 478 -2.198 -0.321 -9.899 1.00 0.00 H new ATOM 0 HB THR B 478 -4.090 -0.977 -11.516 1.00 0.00 H new ATOM 0 HG1 THR B 478 -2.538 -3.431 -11.532 1.00 0.00 H new ATOM 0 HG21 THR B 478 -2.536 -1.573 -13.336 1.00 0.00 H new ATOM 0 HG22 THR B 478 -1.836 -0.289 -12.321 1.00 0.00 H new ATOM 0 HG23 THR B 478 -1.274 -1.968 -12.145 1.00 0.00 H new ATOM 1435 N GLU B 479 -4.650 -0.044 -9.098 1.00 0.00 N ATOM 1436 CA GLU B 479 -5.770 0.256 -8.224 1.00 0.00 C ATOM 1437 C GLU B 479 -7.069 0.326 -9.030 1.00 0.00 C ATOM 1438 O GLU B 479 -7.060 0.721 -10.195 1.00 0.00 O ATOM 1439 CB GLU B 479 -5.532 1.556 -7.454 1.00 0.00 C ATOM 1440 CG GLU B 479 -6.190 1.504 -6.073 1.00 0.00 C ATOM 1441 CD GLU B 479 -5.984 2.819 -5.318 1.00 0.00 C ATOM 1442 OE1 GLU B 479 -4.841 3.039 -4.863 1.00 0.00 O ATOM 1443 OE2 GLU B 479 -6.975 3.573 -5.212 1.00 0.00 O ATOM 0 H GLU B 479 -4.533 0.603 -9.878 1.00 0.00 H new ATOM 0 HA GLU B 479 -5.861 -0.548 -7.494 1.00 0.00 H new ATOM 0 HB2 GLU B 479 -4.461 1.727 -7.344 1.00 0.00 H new ATOM 0 HB3 GLU B 479 -5.933 2.397 -8.020 1.00 0.00 H new ATOM 0 HG2 GLU B 479 -7.256 1.306 -6.181 1.00 0.00 H new ATOM 0 HG3 GLU B 479 -5.770 0.680 -5.497 1.00 0.00 H new ATOM 1450 N ARG B 480 -8.155 -0.063 -8.378 1.00 0.00 N ATOM 1451 CA ARG B 480 -9.458 -0.049 -9.019 1.00 0.00 C ATOM 1452 C ARG B 480 -10.105 1.330 -8.878 1.00 0.00 C ATOM 1453 O ARG B 480 -10.095 1.916 -7.796 1.00 0.00 O ATOM 1454 CB ARG B 480 -10.384 -1.104 -8.409 1.00 0.00 C ATOM 1455 CG ARG B 480 -9.812 -2.510 -8.597 1.00 0.00 C ATOM 1456 CD ARG B 480 -10.921 -3.517 -8.906 1.00 0.00 C ATOM 1457 NE ARG B 480 -10.997 -4.533 -7.833 1.00 0.00 N ATOM 1458 CZ ARG B 480 -11.522 -4.308 -6.621 1.00 0.00 C ATOM 1459 NH1 ARG B 480 -12.022 -3.101 -6.321 1.00 0.00 N ATOM 1460 NH2 ARG B 480 -11.548 -5.289 -5.709 1.00 0.00 N ATOM 0 H ARG B 480 -8.159 -0.390 -7.412 1.00 0.00 H new ATOM 0 HA ARG B 480 -9.310 -0.278 -10.074 1.00 0.00 H new ATOM 0 HB2 ARG B 480 -10.521 -0.902 -7.347 1.00 0.00 H new ATOM 0 HB3 ARG B 480 -11.368 -1.042 -8.874 1.00 0.00 H new ATOM 0 HG2 ARG B 480 -9.084 -2.505 -9.409 1.00 0.00 H new ATOM 0 HG3 ARG B 480 -9.281 -2.814 -7.695 1.00 0.00 H new ATOM 0 HD2 ARG B 480 -11.877 -3.001 -8.997 1.00 0.00 H new ATOM 0 HD3 ARG B 480 -10.727 -4.001 -9.863 1.00 0.00 H new ATOM 0 HE ARG B 480 -10.626 -5.463 -8.028 1.00 0.00 H new ATOM 0 HH11 ARG B 480 -12.003 -2.354 -7.015 1.00 0.00 H new ATOM 0 HH12 ARG B 480 -12.422 -2.930 -5.398 1.00 0.00 H new ATOM 0 HH21 ARG B 480 -11.168 -6.208 -5.937 1.00 0.00 H new ATOM 0 HH22 ARG B 480 -11.948 -5.117 -4.786 1.00 0.00 H new ATOM 1474 N VAL B 481 -10.651 1.809 -9.985 1.00 0.00 N ATOM 1475 CA VAL B 481 -11.300 3.109 -9.998 1.00 0.00 C ATOM 1476 C VAL B 481 -12.815 2.917 -10.090 1.00 0.00 C ATOM 1477 O VAL B 481 -13.317 2.371 -11.072 1.00 0.00 O ATOM 1478 CB VAL B 481 -10.736 3.965 -11.135 1.00 0.00 C ATOM 1479 CG1 VAL B 481 -11.285 5.391 -11.071 1.00 0.00 C ATOM 1480 CG2 VAL B 481 -9.206 3.964 -11.113 1.00 0.00 C ATOM 0 H VAL B 481 -10.658 1.320 -10.880 1.00 0.00 H new ATOM 0 HA VAL B 481 -11.096 3.647 -9.072 1.00 0.00 H new ATOM 0 HB VAL B 481 -11.058 3.525 -12.079 1.00 0.00 H new ATOM 0 HG11 VAL B 481 -10.869 5.978 -11.890 1.00 0.00 H new ATOM 0 HG12 VAL B 481 -12.371 5.367 -11.157 1.00 0.00 H new ATOM 0 HG13 VAL B 481 -11.007 5.846 -10.120 1.00 0.00 H new ATOM 0 HG21 VAL B 481 -8.830 4.579 -11.931 1.00 0.00 H new ATOM 0 HG22 VAL B 481 -8.856 4.369 -10.163 1.00 0.00 H new ATOM 0 HG23 VAL B 481 -8.841 2.943 -11.229 1.00 0.00 H new ATOM 1490 N PRO B 482 -13.520 3.389 -9.027 1.00 0.00 N ATOM 1491 CA PRO B 482 -14.968 3.273 -8.979 1.00 0.00 C ATOM 1492 C PRO B 482 -15.631 4.288 -9.913 1.00 0.00 C ATOM 1493 O PRO B 482 -15.218 4.442 -11.061 1.00 0.00 O ATOM 1494 CB PRO B 482 -15.330 3.486 -7.518 1.00 0.00 C ATOM 1495 CG PRO B 482 -14.129 4.170 -6.885 1.00 0.00 C ATOM 1496 CD PRO B 482 -12.960 4.043 -7.848 1.00 0.00 C ATOM 0 HA PRO B 482 -15.325 2.304 -9.328 1.00 0.00 H new ATOM 0 HB2 PRO B 482 -16.225 4.102 -7.423 1.00 0.00 H new ATOM 0 HB3 PRO B 482 -15.543 2.537 -7.026 1.00 0.00 H new ATOM 0 HG2 PRO B 482 -14.348 5.219 -6.686 1.00 0.00 H new ATOM 0 HG3 PRO B 482 -13.887 3.708 -5.928 1.00 0.00 H new ATOM 0 HD2 PRO B 482 -12.544 5.019 -8.097 1.00 0.00 H new ATOM 0 HD3 PRO B 482 -12.152 3.454 -7.414 1.00 0.00 H new