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= -1.03 (180deg=-2.81!) USER MOD Single : B 413 LYS NZ :NH3+ -148:sc= -1.01 (180deg=-1.22) USER MOD Single : B 415 GLN : amide:sc= -2.15 K(o=-2.2,f=-0.28) USER MOD Single : B 417 GLN : amide:sc= -2.65! C(o=-2.6!,f=-1.9!) USER MOD Single : B 418 HIS : no HD1:sc= -0.767 X(o=-0.77,f=-0.36) USER MOD Single : B 420 TYR OH : rot -175:sc= 0.93 USER MOD Single : B 421 THR OG1 : rot 180:sc= 0 USER MOD Single : B 423 THR OG1 : rot 45:sc= 0.646 USER MOD Single : B 425 THR OG1 : rot -36:sc= 0.337 USER MOD Single : B 429 GLN : amide:sc= 0.161 X(o=0.16,f=0) USER MOD Single : B 431 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 453 MET CE :methyl -107:sc= -5.36! (180deg=-7.35!) USER MOD Single : B 456 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0939) USER MOD Single : B 458 SER OG : rot 180:sc= 0 USER MOD Single : B 461 ASN : amide:sc= -0.273 X(o=-0.27,f=0) USER MOD Single : B 462 GLN : amide:sc= -0.0528 X(o=-0.053,f=0) USER MOD Single : B 463 HIS : no HD1:sc= -0.452 X(o=-0.45,f=-0.019) 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= -3.41! USER MOD Single : B 476 ASN : amide:sc= -0.819 K(o=-0.82,f=-2.3!) USER MOD Single : B 478 THR OG1 : rot -86:sc= -0.499! USER MOD ----------------------------------------------------------------- ATOM 67 N PRO A 59 6.857 -7.563 -7.939 1.00 0.00 N ATOM 68 CA PRO A 59 7.449 -8.890 -7.943 1.00 0.00 C ATOM 69 C PRO A 59 8.728 -8.918 -8.782 1.00 0.00 C ATOM 70 O PRO A 59 9.027 -7.962 -9.497 1.00 0.00 O ATOM 71 CB PRO A 59 6.363 -9.804 -8.485 1.00 0.00 C ATOM 72 CG PRO A 59 5.373 -8.897 -9.198 1.00 0.00 C ATOM 73 CD PRO A 59 5.671 -7.465 -8.785 1.00 0.00 C ATOM 0 HA PRO A 59 7.764 -9.213 -6.951 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.780 -10.542 -9.170 1.00 0.00 H new ATOM 0 HB3 PRO A 59 5.878 -10.355 -7.679 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.463 -9.009 -10.279 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.350 -9.166 -8.933 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.855 -6.832 -9.653 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.833 -7.026 -8.243 1.00 0.00 H new ATOM 81 N PRO A 60 9.468 -10.053 -8.665 1.00 0.00 N ATOM 82 CA PRO A 60 10.707 -10.218 -9.405 1.00 0.00 C ATOM 83 C PRO A 60 10.429 -10.510 -10.881 1.00 0.00 C ATOM 84 O PRO A 60 9.320 -10.901 -11.243 1.00 0.00 O ATOM 85 CB PRO A 60 11.437 -11.352 -8.703 1.00 0.00 C ATOM 86 CG PRO A 60 10.383 -12.085 -7.890 1.00 0.00 C ATOM 87 CD PRO A 60 9.145 -11.205 -7.828 1.00 0.00 C ATOM 0 HA PRO A 60 11.316 -9.314 -9.412 1.00 0.00 H new ATOM 0 HB2 PRO A 60 11.908 -12.020 -9.425 1.00 0.00 H new ATOM 0 HB3 PRO A 60 12.229 -10.968 -8.060 1.00 0.00 H new ATOM 0 HG2 PRO A 60 10.146 -13.045 -8.349 1.00 0.00 H new ATOM 0 HG3 PRO A 60 10.753 -12.294 -6.886 1.00 0.00 H new ATOM 0 HD2 PRO A 60 8.266 -11.731 -8.200 1.00 0.00 H new ATOM 0 HD3 PRO A 60 8.925 -10.902 -6.804 1.00 0.00 H new ATOM 95 N LEU A 61 11.456 -10.309 -11.695 1.00 0.00 N ATOM 96 CA LEU A 61 11.336 -10.546 -13.123 1.00 0.00 C ATOM 97 C LEU A 61 10.963 -12.010 -13.364 1.00 0.00 C ATOM 98 O LEU A 61 11.621 -12.914 -12.852 1.00 0.00 O ATOM 99 CB LEU A 61 12.611 -10.109 -13.848 1.00 0.00 C ATOM 100 CG LEU A 61 12.410 -9.361 -15.167 1.00 0.00 C ATOM 101 CD1 LEU A 61 12.274 -7.856 -14.928 1.00 0.00 C ATOM 102 CD2 LEU A 61 13.531 -9.685 -16.157 1.00 0.00 C ATOM 0 H LEU A 61 12.374 -9.985 -11.392 1.00 0.00 H new ATOM 0 HA LEU A 61 10.534 -9.939 -13.543 1.00 0.00 H new ATOM 0 HB2 LEU A 61 13.187 -9.472 -13.176 1.00 0.00 H new ATOM 0 HB3 LEU A 61 13.215 -10.995 -14.044 1.00 0.00 H new ATOM 0 HG LEU A 61 11.476 -9.702 -15.615 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.132 -7.348 -15.882 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.415 -7.666 -14.284 1.00 0.00 H new ATOM 0 HD13 LEU A 61 13.178 -7.481 -14.448 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.364 -9.140 -17.086 1.00 0.00 H new ATOM 0 HD22 LEU A 61 14.490 -9.390 -15.730 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.539 -10.756 -16.360 1.00 0.00 H new ATOM 114 N SER A 62 9.908 -12.198 -14.143 1.00 0.00 N ATOM 115 CA SER A 62 9.440 -13.537 -14.458 1.00 0.00 C ATOM 116 C SER A 62 10.055 -14.010 -15.777 1.00 0.00 C ATOM 117 O SER A 62 10.459 -13.194 -16.605 1.00 0.00 O ATOM 118 CB SER A 62 7.913 -13.582 -14.539 1.00 0.00 C ATOM 119 OG SER A 62 7.404 -12.689 -15.526 1.00 0.00 O ATOM 0 H SER A 62 9.364 -11.446 -14.565 1.00 0.00 H new ATOM 0 HA SER A 62 9.755 -14.206 -13.657 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.592 -14.598 -14.769 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.491 -13.327 -13.567 1.00 0.00 H new ATOM 0 HG SER A 62 6.426 -12.749 -15.548 1.00 0.00 H new ATOM 125 N PRO A 63 10.108 -15.359 -15.936 1.00 0.00 N ATOM 126 CA PRO A 63 10.667 -15.950 -17.140 1.00 0.00 C ATOM 127 C PRO A 63 9.698 -15.815 -18.317 1.00 0.00 C ATOM 128 O PRO A 63 8.617 -15.247 -18.174 1.00 0.00 O ATOM 129 CB PRO A 63 10.956 -17.396 -16.772 1.00 0.00 C ATOM 130 CG PRO A 63 10.125 -17.684 -15.532 1.00 0.00 C ATOM 131 CD PRO A 63 9.640 -16.355 -14.976 1.00 0.00 C ATOM 0 HA PRO A 63 11.576 -15.449 -17.471 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.687 -18.068 -17.587 1.00 0.00 H new ATOM 0 HB3 PRO A 63 12.018 -17.544 -16.574 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.279 -18.325 -15.780 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.720 -18.214 -14.789 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.554 -16.337 -14.884 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.047 -16.169 -13.982 1.00 0.00 H new ATOM 279 N LEU B 406 -17.003 -12.740 -26.449 1.00 0.00 N ATOM 280 CA LEU B 406 -16.109 -12.725 -25.303 1.00 0.00 C ATOM 281 C LEU B 406 -15.168 -13.929 -25.381 1.00 0.00 C ATOM 282 O LEU B 406 -15.456 -14.903 -26.074 1.00 0.00 O ATOM 283 CB LEU B 406 -16.908 -12.652 -24.001 1.00 0.00 C ATOM 284 CG LEU B 406 -16.819 -13.879 -23.090 1.00 0.00 C ATOM 285 CD1 LEU B 406 -17.183 -13.518 -21.648 1.00 0.00 C ATOM 286 CD2 LEU B 406 -17.677 -15.025 -23.628 1.00 0.00 C ATOM 0 HA LEU B 406 -15.486 -11.831 -25.317 1.00 0.00 H new ATOM 0 HB2 LEU B 406 -16.570 -11.781 -23.439 1.00 0.00 H new ATOM 0 HB3 LEU B 406 -17.956 -12.484 -24.250 1.00 0.00 H new ATOM 0 HG LEU B 406 -15.786 -14.226 -23.084 1.00 0.00 H new ATOM 0 HD11 LEU B 406 -17.112 -14.407 -21.021 1.00 0.00 H new ATOM 0 HD12 LEU B 406 -16.495 -12.758 -21.279 1.00 0.00 H new ATOM 0 HD13 LEU B 406 -18.202 -13.132 -21.616 1.00 0.00 H new ATOM 0 HD21 LEU B 406 -17.596 -15.884 -22.962 1.00 0.00 H new ATOM 0 HD22 LEU B 406 -18.718 -14.706 -23.683 1.00 0.00 H new ATOM 0 HD23 LEU B 406 -17.330 -15.303 -24.623 1.00 0.00 H new ATOM 298 N PRO B 407 -14.032 -13.819 -24.641 1.00 0.00 N ATOM 299 CA PRO B 407 -13.047 -14.886 -24.620 1.00 0.00 C ATOM 300 C PRO B 407 -13.530 -16.062 -23.768 1.00 0.00 C ATOM 301 O PRO B 407 -14.022 -15.867 -22.657 1.00 0.00 O ATOM 302 CB PRO B 407 -11.780 -14.242 -24.080 1.00 0.00 C ATOM 303 CG PRO B 407 -12.226 -12.966 -23.385 1.00 0.00 C ATOM 304 CD PRO B 407 -13.657 -12.680 -23.808 1.00 0.00 C ATOM 0 HA PRO B 407 -12.871 -15.315 -25.607 1.00 0.00 H new ATOM 0 HB2 PRO B 407 -11.269 -14.908 -23.384 1.00 0.00 H new ATOM 0 HB3 PRO B 407 -11.079 -14.024 -24.885 1.00 0.00 H new ATOM 0 HG2 PRO B 407 -12.163 -13.079 -22.303 1.00 0.00 H new ATOM 0 HG3 PRO B 407 -11.574 -12.136 -23.657 1.00 0.00 H new ATOM 0 HD2 PRO B 407 -14.315 -12.588 -22.944 1.00 0.00 H new ATOM 0 HD3 PRO B 407 -13.727 -11.744 -24.362 1.00 0.00 H new ATOM 312 N PRO B 408 -13.368 -17.287 -24.334 1.00 0.00 N ATOM 313 CA PRO B 408 -13.781 -18.494 -23.638 1.00 0.00 C ATOM 314 C PRO B 408 -12.800 -18.844 -22.518 1.00 0.00 C ATOM 315 O PRO B 408 -11.596 -18.634 -22.654 1.00 0.00 O ATOM 316 CB PRO B 408 -13.858 -19.563 -24.716 1.00 0.00 C ATOM 317 CG PRO B 408 -13.041 -19.036 -25.885 1.00 0.00 C ATOM 318 CD PRO B 408 -12.789 -17.556 -25.647 1.00 0.00 C ATOM 0 HA PRO B 408 -14.743 -18.382 -23.137 1.00 0.00 H new ATOM 0 HB2 PRO B 408 -13.458 -20.511 -24.356 1.00 0.00 H new ATOM 0 HB3 PRO B 408 -14.891 -19.745 -25.012 1.00 0.00 H new ATOM 0 HG2 PRO B 408 -12.098 -19.576 -25.966 1.00 0.00 H new ATOM 0 HG3 PRO B 408 -13.575 -19.186 -26.823 1.00 0.00 H new ATOM 0 HD2 PRO B 408 -11.723 -17.328 -25.664 1.00 0.00 H new ATOM 0 HD3 PRO B 408 -13.258 -16.946 -26.419 1.00 0.00 H new ATOM 326 N GLY B 409 -13.352 -19.372 -21.435 1.00 0.00 N ATOM 327 CA GLY B 409 -12.541 -19.754 -20.292 1.00 0.00 C ATOM 328 C GLY B 409 -12.343 -18.572 -19.340 1.00 0.00 C ATOM 329 O GLY B 409 -12.054 -18.762 -18.160 1.00 0.00 O ATOM 0 H GLY B 409 -14.351 -19.544 -21.325 1.00 0.00 H new ATOM 0 HA2 GLY B 409 -13.019 -20.577 -19.761 1.00 0.00 H new ATOM 0 HA3 GLY B 409 -11.572 -20.116 -20.634 1.00 0.00 H new ATOM 333 N PHE B 410 -12.508 -17.377 -19.890 1.00 0.00 N ATOM 334 CA PHE B 410 -12.352 -16.164 -19.105 1.00 0.00 C ATOM 335 C PHE B 410 -12.865 -16.365 -17.677 1.00 0.00 C ATOM 336 O PHE B 410 -13.768 -17.167 -17.445 1.00 0.00 O ATOM 337 CB PHE B 410 -13.189 -15.080 -19.786 1.00 0.00 C ATOM 338 CG PHE B 410 -13.561 -13.913 -18.869 1.00 0.00 C ATOM 339 CD1 PHE B 410 -12.639 -12.958 -18.576 1.00 0.00 C ATOM 340 CD2 PHE B 410 -14.815 -13.831 -18.348 1.00 0.00 C ATOM 341 CE1 PHE B 410 -12.985 -11.875 -17.725 1.00 0.00 C ATOM 342 CE2 PHE B 410 -15.160 -12.749 -17.497 1.00 0.00 C ATOM 343 CZ PHE B 410 -14.238 -11.793 -17.203 1.00 0.00 C ATOM 0 H PHE B 410 -12.748 -17.223 -20.869 1.00 0.00 H new ATOM 0 HA PHE B 410 -11.298 -15.890 -19.049 1.00 0.00 H new ATOM 0 HB2 PHE B 410 -12.637 -14.694 -20.643 1.00 0.00 H new ATOM 0 HB3 PHE B 410 -14.103 -15.531 -20.173 1.00 0.00 H new ATOM 0 HD1 PHE B 410 -11.644 -13.023 -18.990 1.00 0.00 H new ATOM 0 HD2 PHE B 410 -15.548 -14.589 -18.582 1.00 0.00 H new ATOM 0 HE1 PHE B 410 -12.253 -11.116 -17.492 1.00 0.00 H new ATOM 0 HE2 PHE B 410 -16.155 -12.685 -17.083 1.00 0.00 H new ATOM 0 HZ PHE B 410 -14.501 -10.970 -16.556 1.00 0.00 H new ATOM 353 N MET B 411 -12.265 -15.624 -16.758 1.00 0.00 N ATOM 354 CA MET B 411 -12.650 -15.710 -15.359 1.00 0.00 C ATOM 355 C MET B 411 -13.353 -14.429 -14.904 1.00 0.00 C ATOM 356 O MET B 411 -14.564 -14.425 -14.686 1.00 0.00 O ATOM 357 CB MET B 411 -11.406 -15.942 -14.500 1.00 0.00 C ATOM 358 CG MET B 411 -10.698 -17.238 -14.900 1.00 0.00 C ATOM 359 SD MET B 411 -9.629 -17.783 -13.578 1.00 0.00 S ATOM 360 CE MET B 411 -8.133 -18.100 -14.500 1.00 0.00 C ATOM 0 H MET B 411 -11.515 -14.961 -16.954 1.00 0.00 H new ATOM 0 HA MET B 411 -13.343 -16.543 -15.243 1.00 0.00 H new ATOM 0 HB2 MET B 411 -10.722 -15.101 -14.610 1.00 0.00 H new ATOM 0 HB3 MET B 411 -11.689 -15.988 -13.448 1.00 0.00 H new ATOM 0 HG2 MET B 411 -11.434 -18.010 -15.125 1.00 0.00 H new ATOM 0 HG3 MET B 411 -10.116 -17.079 -15.807 1.00 0.00 H new ATOM 0 HE1 MET B 411 -7.273 -17.744 -13.932 1.00 0.00 H new ATOM 0 HE2 MET B 411 -8.034 -19.171 -14.676 1.00 0.00 H new ATOM 0 HE3 MET B 411 -8.177 -17.578 -15.456 1.00 0.00 H new ATOM 370 N PHE B 412 -12.564 -13.373 -14.775 1.00 0.00 N ATOM 371 CA PHE B 412 -13.095 -12.089 -14.348 1.00 0.00 C ATOM 372 C PHE B 412 -12.186 -10.943 -14.798 1.00 0.00 C ATOM 373 O PHE B 412 -11.156 -11.174 -15.429 1.00 0.00 O ATOM 374 CB PHE B 412 -13.148 -12.113 -12.819 1.00 0.00 C ATOM 375 CG PHE B 412 -11.884 -12.671 -12.161 1.00 0.00 C ATOM 376 CD1 PHE B 412 -10.851 -11.841 -11.859 1.00 0.00 C ATOM 377 CD2 PHE B 412 -11.795 -13.999 -11.879 1.00 0.00 C ATOM 378 CE1 PHE B 412 -9.678 -12.359 -11.249 1.00 0.00 C ATOM 379 CE2 PHE B 412 -10.622 -14.517 -11.268 1.00 0.00 C ATOM 380 CZ PHE B 412 -9.589 -13.687 -10.966 1.00 0.00 C ATOM 0 H PHE B 412 -11.561 -13.380 -14.959 1.00 0.00 H new ATOM 0 HA PHE B 412 -14.080 -11.929 -14.786 1.00 0.00 H new ATOM 0 HB2 PHE B 412 -13.317 -11.099 -12.456 1.00 0.00 H new ATOM 0 HB3 PHE B 412 -14.003 -12.711 -12.505 1.00 0.00 H new ATOM 0 HD1 PHE B 412 -10.922 -10.787 -12.083 1.00 0.00 H new ATOM 0 HD2 PHE B 412 -12.616 -14.659 -12.120 1.00 0.00 H new ATOM 0 HE1 PHE B 412 -8.857 -11.699 -11.010 1.00 0.00 H new ATOM 0 HE2 PHE B 412 -10.551 -15.571 -11.043 1.00 0.00 H new ATOM 0 HZ PHE B 412 -8.697 -14.082 -10.501 1.00 0.00 H new ATOM 390 N LYS B 413 -12.600 -9.733 -14.455 1.00 0.00 N ATOM 391 CA LYS B 413 -11.837 -8.550 -14.815 1.00 0.00 C ATOM 392 C LYS B 413 -11.065 -8.053 -13.591 1.00 0.00 C ATOM 393 O LYS B 413 -11.600 -8.029 -12.484 1.00 0.00 O ATOM 394 CB LYS B 413 -12.751 -7.492 -15.437 1.00 0.00 C ATOM 395 CG LYS B 413 -12.296 -7.140 -16.855 1.00 0.00 C ATOM 396 CD LYS B 413 -11.026 -6.288 -16.829 1.00 0.00 C ATOM 397 CE LYS B 413 -11.153 -5.146 -15.818 1.00 0.00 C ATOM 398 NZ LYS B 413 -12.445 -4.444 -15.988 1.00 0.00 N ATOM 0 H LYS B 413 -13.455 -9.546 -13.931 1.00 0.00 H new ATOM 0 HA LYS B 413 -11.099 -8.791 -15.580 1.00 0.00 H new ATOM 0 HB2 LYS B 413 -13.776 -7.861 -15.461 1.00 0.00 H new ATOM 0 HB3 LYS B 413 -12.749 -6.595 -14.817 1.00 0.00 H new ATOM 0 HG2 LYS B 413 -12.113 -8.054 -17.419 1.00 0.00 H new ATOM 0 HG3 LYS B 413 -13.090 -6.600 -17.372 1.00 0.00 H new ATOM 0 HD2 LYS B 413 -10.170 -6.912 -16.572 1.00 0.00 H new ATOM 0 HD3 LYS B 413 -10.837 -5.880 -17.822 1.00 0.00 H new ATOM 0 HE2 LYS B 413 -11.077 -5.540 -14.804 1.00 0.00 H new ATOM 0 HE3 LYS B 413 -10.330 -4.443 -15.949 1.00 0.00 H new ATOM 0 HZ1 LYS B 413 -12.329 -3.439 -15.745 1.00 0.00 H new ATOM 0 HZ2 LYS B 413 -12.758 -4.527 -16.976 1.00 0.00 H new ATOM 0 HZ3 LYS B 413 -13.157 -4.871 -15.362 1.00 0.00 H new ATOM 412 N VAL B 414 -9.820 -7.670 -13.832 1.00 0.00 N ATOM 413 CA VAL B 414 -8.969 -7.177 -12.763 1.00 0.00 C ATOM 414 C VAL B 414 -8.599 -5.719 -13.042 1.00 0.00 C ATOM 415 O VAL B 414 -8.814 -5.221 -14.146 1.00 0.00 O ATOM 416 CB VAL B 414 -7.747 -8.084 -12.606 1.00 0.00 C ATOM 417 CG1 VAL B 414 -8.086 -9.530 -12.974 1.00 0.00 C ATOM 418 CG2 VAL B 414 -6.571 -7.568 -13.439 1.00 0.00 C ATOM 0 H VAL B 414 -9.380 -7.691 -14.752 1.00 0.00 H new ATOM 0 HA VAL B 414 -9.500 -7.201 -11.811 1.00 0.00 H new ATOM 0 HB VAL B 414 -7.449 -8.066 -11.558 1.00 0.00 H new ATOM 0 HG11 VAL B 414 -7.200 -10.153 -12.854 1.00 0.00 H new ATOM 0 HG12 VAL B 414 -8.878 -9.896 -12.321 1.00 0.00 H new ATOM 0 HG13 VAL B 414 -8.422 -9.573 -14.010 1.00 0.00 H new ATOM 0 HG21 VAL B 414 -5.715 -8.230 -13.310 1.00 0.00 H new ATOM 0 HG22 VAL B 414 -6.854 -7.542 -14.491 1.00 0.00 H new ATOM 0 HG23 VAL B 414 -6.305 -6.563 -13.110 1.00 0.00 H new ATOM 428 N GLN B 415 -8.051 -5.075 -12.022 1.00 0.00 N ATOM 429 CA GLN B 415 -7.649 -3.684 -12.145 1.00 0.00 C ATOM 430 C GLN B 415 -6.249 -3.483 -11.562 1.00 0.00 C ATOM 431 O GLN B 415 -6.026 -3.717 -10.375 1.00 0.00 O ATOM 432 CB GLN B 415 -8.662 -2.759 -11.467 1.00 0.00 C ATOM 433 CG GLN B 415 -8.152 -1.317 -11.434 1.00 0.00 C ATOM 434 CD GLN B 415 -8.837 -0.468 -12.507 1.00 0.00 C ATOM 435 OE1 GLN B 415 -10.049 -0.336 -12.551 1.00 0.00 O ATOM 436 NE2 GLN B 415 -7.995 0.097 -13.368 1.00 0.00 N ATOM 0 H GLN B 415 -7.876 -5.491 -11.107 1.00 0.00 H new ATOM 0 HA GLN B 415 -7.622 -3.426 -13.204 1.00 0.00 H new ATOM 0 HB2 GLN B 415 -9.612 -2.800 -12.001 1.00 0.00 H new ATOM 0 HB3 GLN B 415 -8.852 -3.105 -10.451 1.00 0.00 H new ATOM 0 HG2 GLN B 415 -8.337 -0.885 -10.451 1.00 0.00 H new ATOM 0 HG3 GLN B 415 -7.073 -1.305 -11.590 1.00 0.00 H new ATOM 0 HE21 GLN B 415 -6.991 -0.055 -13.274 1.00 0.00 H new ATOM 0 HE22 GLN B 415 -8.354 0.682 -14.123 1.00 0.00 H new ATOM 445 N ALA B 416 -5.340 -3.050 -12.425 1.00 0.00 N ATOM 446 CA ALA B 416 -3.968 -2.815 -12.011 1.00 0.00 C ATOM 447 C ALA B 416 -3.930 -1.645 -11.026 1.00 0.00 C ATOM 448 O ALA B 416 -4.759 -0.740 -11.100 1.00 0.00 O ATOM 449 CB ALA B 416 -3.098 -2.567 -13.245 1.00 0.00 C ATOM 0 H ALA B 416 -5.528 -2.856 -13.409 1.00 0.00 H new ATOM 0 HA ALA B 416 -3.566 -3.690 -11.499 1.00 0.00 H new ATOM 0 HB1 ALA B 416 -2.068 -2.391 -12.935 1.00 0.00 H new ATOM 0 HB2 ALA B 416 -3.136 -3.439 -13.898 1.00 0.00 H new ATOM 0 HB3 ALA B 416 -3.469 -1.695 -13.783 1.00 0.00 H new ATOM 455 N GLN B 417 -2.959 -1.702 -10.126 1.00 0.00 N ATOM 456 CA GLN B 417 -2.802 -0.658 -9.128 1.00 0.00 C ATOM 457 C GLN B 417 -1.430 0.006 -9.265 1.00 0.00 C ATOM 458 O GLN B 417 -1.102 0.921 -8.511 1.00 0.00 O ATOM 459 CB GLN B 417 -3.003 -1.214 -7.717 1.00 0.00 C ATOM 460 CG GLN B 417 -4.012 -2.365 -7.720 1.00 0.00 C ATOM 461 CD GLN B 417 -4.318 -2.830 -6.294 1.00 0.00 C ATOM 462 OE1 GLN B 417 -4.773 -2.074 -5.451 1.00 0.00 O ATOM 463 NE2 GLN B 417 -4.043 -4.112 -6.073 1.00 0.00 N ATOM 0 H GLN B 417 -2.273 -2.455 -10.067 1.00 0.00 H new ATOM 0 HA GLN B 417 -3.568 0.098 -9.298 1.00 0.00 H new ATOM 0 HB2 GLN B 417 -2.049 -1.563 -7.320 1.00 0.00 H new ATOM 0 HB3 GLN B 417 -3.353 -0.421 -7.056 1.00 0.00 H new ATOM 0 HG2 GLN B 417 -4.933 -2.045 -8.207 1.00 0.00 H new ATOM 0 HG3 GLN B 417 -3.617 -3.198 -8.301 1.00 0.00 H new ATOM 0 HE21 GLN B 417 -3.663 -4.689 -6.824 1.00 0.00 H new ATOM 0 HE22 GLN B 417 -4.212 -4.518 -5.153 1.00 0.00 H new ATOM 472 N HIS B 418 -0.667 -0.481 -10.231 1.00 0.00 N ATOM 473 CA HIS B 418 0.662 0.054 -10.477 1.00 0.00 C ATOM 474 C HIS B 418 0.966 0.005 -11.976 1.00 0.00 C ATOM 475 O HIS B 418 0.220 -0.600 -12.745 1.00 0.00 O ATOM 476 CB HIS B 418 1.708 -0.681 -9.636 1.00 0.00 C ATOM 477 CG HIS B 418 1.557 -0.470 -8.148 1.00 0.00 C ATOM 478 ND1 HIS B 418 2.250 0.508 -7.456 1.00 0.00 N ATOM 479 CD2 HIS B 418 0.787 -1.120 -7.229 1.00 0.00 C ATOM 480 CE1 HIS B 418 1.905 0.440 -6.178 1.00 0.00 C ATOM 481 NE2 HIS B 418 0.999 -0.570 -6.040 1.00 0.00 N ATOM 0 H HIS B 418 -0.943 -1.241 -10.853 1.00 0.00 H new ATOM 0 HA HIS B 418 0.700 1.098 -10.168 1.00 0.00 H new ATOM 0 HB2 HIS B 418 1.647 -1.748 -9.850 1.00 0.00 H new ATOM 0 HB3 HIS B 418 2.701 -0.351 -9.941 1.00 0.00 H new ATOM 0 HD2 HIS B 418 0.118 -1.943 -7.434 1.00 0.00 H new ATOM 0 HE1 HIS B 418 2.276 1.073 -5.385 1.00 0.00 H new ATOM 0 HE2 HIS B 418 0.557 -0.856 -5.166 1.00 0.00 H new ATOM 489 N ASP B 419 2.062 0.649 -12.346 1.00 0.00 N ATOM 490 CA ASP B 419 2.474 0.687 -13.739 1.00 0.00 C ATOM 491 C ASP B 419 3.755 -0.133 -13.910 1.00 0.00 C ATOM 492 O ASP B 419 4.840 0.322 -13.552 1.00 0.00 O ATOM 493 CB ASP B 419 2.767 2.119 -14.188 1.00 0.00 C ATOM 494 CG ASP B 419 3.010 3.116 -13.054 1.00 0.00 C ATOM 495 OD1 ASP B 419 4.186 3.236 -12.646 1.00 0.00 O ATOM 496 OD2 ASP B 419 2.015 3.736 -12.620 1.00 0.00 O ATOM 0 H ASP B 419 2.678 1.149 -11.705 1.00 0.00 H new ATOM 0 HA ASP B 419 1.663 0.279 -14.342 1.00 0.00 H new ATOM 0 HB2 ASP B 419 3.643 2.108 -14.836 1.00 0.00 H new ATOM 0 HB3 ASP B 419 1.930 2.473 -14.790 1.00 0.00 H new ATOM 501 N TYR B 420 3.586 -1.328 -14.457 1.00 0.00 N ATOM 502 CA TYR B 420 4.715 -2.216 -14.679 1.00 0.00 C ATOM 503 C TYR B 420 4.924 -2.474 -16.172 1.00 0.00 C ATOM 504 O TYR B 420 4.121 -3.157 -16.806 1.00 0.00 O ATOM 505 CB TYR B 420 4.356 -3.534 -13.991 1.00 0.00 C ATOM 506 CG TYR B 420 4.951 -4.771 -14.667 1.00 0.00 C ATOM 507 CD1 TYR B 420 6.259 -5.133 -14.415 1.00 0.00 C ATOM 508 CD2 TYR B 420 4.180 -5.525 -15.528 1.00 0.00 C ATOM 509 CE1 TYR B 420 6.819 -6.297 -15.051 1.00 0.00 C ATOM 510 CE2 TYR B 420 4.740 -6.689 -16.165 1.00 0.00 C ATOM 511 CZ TYR B 420 6.032 -7.017 -15.895 1.00 0.00 C ATOM 512 OH TYR B 420 6.561 -8.117 -16.496 1.00 0.00 O ATOM 0 H TYR B 420 2.684 -1.702 -14.753 1.00 0.00 H new ATOM 0 HA TYR B 420 5.632 -1.776 -14.287 1.00 0.00 H new ATOM 0 HB2 TYR B 420 4.699 -3.497 -12.957 1.00 0.00 H new ATOM 0 HB3 TYR B 420 3.271 -3.634 -13.964 1.00 0.00 H new ATOM 0 HD1 TYR B 420 6.862 -4.543 -13.741 1.00 0.00 H new ATOM 0 HD2 TYR B 420 3.156 -5.242 -15.724 1.00 0.00 H new ATOM 0 HE1 TYR B 420 7.841 -6.592 -14.862 1.00 0.00 H new ATOM 0 HE2 TYR B 420 4.148 -7.287 -16.841 1.00 0.00 H new ATOM 0 HH TYR B 420 5.912 -8.487 -17.130 1.00 0.00 H new ATOM 522 N THR B 421 6.006 -1.913 -16.691 1.00 0.00 N ATOM 523 CA THR B 421 6.332 -2.075 -18.098 1.00 0.00 C ATOM 524 C THR B 421 6.902 -3.471 -18.356 1.00 0.00 C ATOM 525 O THR B 421 7.985 -3.802 -17.877 1.00 0.00 O ATOM 526 CB THR B 421 7.285 -0.946 -18.495 1.00 0.00 C ATOM 527 OG1 THR B 421 6.426 0.163 -18.743 1.00 0.00 O ATOM 528 CG2 THR B 421 7.964 -1.200 -19.843 1.00 0.00 C ATOM 0 H THR B 421 6.669 -1.345 -16.162 1.00 0.00 H new ATOM 0 HA THR B 421 5.441 -2.002 -18.722 1.00 0.00 H new ATOM 0 HB THR B 421 8.045 -0.824 -17.723 1.00 0.00 H new ATOM 0 HG1 THR B 421 6.962 0.940 -19.005 1.00 0.00 H new ATOM 0 HG21 THR B 421 8.629 -0.369 -20.077 1.00 0.00 H new ATOM 0 HG22 THR B 421 8.541 -2.123 -19.792 1.00 0.00 H new ATOM 0 HG23 THR B 421 7.206 -1.288 -20.621 1.00 0.00 H new ATOM 536 N ALA B 422 6.146 -4.252 -19.114 1.00 0.00 N ATOM 537 CA ALA B 422 6.563 -5.605 -19.442 1.00 0.00 C ATOM 538 C ALA B 422 6.865 -5.692 -20.940 1.00 0.00 C ATOM 539 O ALA B 422 5.978 -5.493 -21.768 1.00 0.00 O ATOM 540 CB ALA B 422 5.478 -6.593 -19.008 1.00 0.00 C ATOM 0 H ALA B 422 5.248 -3.974 -19.510 1.00 0.00 H new ATOM 0 HA ALA B 422 7.475 -5.866 -18.906 1.00 0.00 H new ATOM 0 HB1 ALA B 422 5.791 -7.608 -19.254 1.00 0.00 H new ATOM 0 HB2 ALA B 422 5.321 -6.512 -17.932 1.00 0.00 H new ATOM 0 HB3 ALA B 422 4.548 -6.364 -19.528 1.00 0.00 H new ATOM 546 N THR B 423 8.120 -5.990 -21.241 1.00 0.00 N ATOM 547 CA THR B 423 8.550 -6.105 -22.624 1.00 0.00 C ATOM 548 C THR B 423 9.082 -7.513 -22.902 1.00 0.00 C ATOM 549 O THR B 423 10.252 -7.798 -22.655 1.00 0.00 O ATOM 550 CB THR B 423 9.578 -5.004 -22.893 1.00 0.00 C ATOM 551 OG1 THR B 423 10.556 -5.186 -21.874 1.00 0.00 O ATOM 552 CG2 THR B 423 9.019 -3.604 -22.628 1.00 0.00 C ATOM 0 H THR B 423 8.853 -6.155 -20.551 1.00 0.00 H new ATOM 0 HA THR B 423 7.715 -5.965 -23.310 1.00 0.00 H new ATOM 0 HB THR B 423 9.918 -5.069 -23.927 1.00 0.00 H new ATOM 0 HG1 THR B 423 10.766 -6.139 -21.788 1.00 0.00 H new ATOM 0 HG21 THR B 423 9.788 -2.860 -22.834 1.00 0.00 H new ATOM 0 HG22 THR B 423 8.160 -3.427 -23.275 1.00 0.00 H new ATOM 0 HG23 THR B 423 8.710 -3.527 -21.586 1.00 0.00 H new ATOM 560 N ASP B 424 8.195 -8.355 -23.413 1.00 0.00 N ATOM 561 CA ASP B 424 8.560 -9.726 -23.726 1.00 0.00 C ATOM 562 C ASP B 424 7.886 -10.143 -25.034 1.00 0.00 C ATOM 563 O ASP B 424 7.233 -9.329 -25.687 1.00 0.00 O ATOM 564 CB ASP B 424 8.095 -10.685 -22.628 1.00 0.00 C ATOM 565 CG ASP B 424 9.022 -11.874 -22.372 1.00 0.00 C ATOM 566 OD1 ASP B 424 9.027 -12.785 -23.228 1.00 0.00 O ATOM 567 OD2 ASP B 424 9.705 -11.846 -21.326 1.00 0.00 O ATOM 0 H ASP B 424 7.225 -8.114 -23.618 1.00 0.00 H new ATOM 0 HA ASP B 424 9.646 -9.774 -23.811 1.00 0.00 H new ATOM 0 HB2 ASP B 424 7.984 -10.124 -21.700 1.00 0.00 H new ATOM 0 HB3 ASP B 424 7.108 -11.064 -22.892 1.00 0.00 H new ATOM 572 N THR B 425 8.066 -11.409 -25.379 1.00 0.00 N ATOM 573 CA THR B 425 7.483 -11.943 -26.598 1.00 0.00 C ATOM 574 C THR B 425 6.024 -12.341 -26.361 1.00 0.00 C ATOM 575 O THR B 425 5.300 -12.648 -27.306 1.00 0.00 O ATOM 576 CB THR B 425 8.360 -13.104 -27.073 1.00 0.00 C ATOM 577 OG1 THR B 425 7.816 -13.453 -28.343 1.00 0.00 O ATOM 578 CG2 THR B 425 8.171 -14.365 -26.227 1.00 0.00 C ATOM 0 H THR B 425 8.608 -12.081 -24.835 1.00 0.00 H new ATOM 0 HA THR B 425 7.459 -11.191 -27.387 1.00 0.00 H new ATOM 0 HB THR B 425 9.407 -12.803 -27.046 1.00 0.00 H new ATOM 0 HG1 THR B 425 6.842 -13.346 -28.322 1.00 0.00 H new ATOM 0 HG21 THR B 425 8.816 -15.158 -26.606 1.00 0.00 H new ATOM 0 HG22 THR B 425 8.431 -14.150 -25.191 1.00 0.00 H new ATOM 0 HG23 THR B 425 7.131 -14.687 -26.281 1.00 0.00 H new ATOM 586 N ASP B 426 5.638 -12.322 -25.094 1.00 0.00 N ATOM 587 CA ASP B 426 4.279 -12.679 -24.721 1.00 0.00 C ATOM 588 C ASP B 426 3.985 -12.148 -23.316 1.00 0.00 C ATOM 589 O ASP B 426 3.409 -12.854 -22.491 1.00 0.00 O ATOM 590 CB ASP B 426 4.094 -14.197 -24.702 1.00 0.00 C ATOM 591 CG ASP B 426 3.856 -14.837 -26.071 1.00 0.00 C ATOM 592 OD1 ASP B 426 4.854 -14.986 -26.809 1.00 0.00 O ATOM 593 OD2 ASP B 426 2.682 -15.163 -26.348 1.00 0.00 O ATOM 0 H ASP B 426 6.242 -12.065 -24.313 1.00 0.00 H new ATOM 0 HA ASP B 426 3.602 -12.243 -25.455 1.00 0.00 H new ATOM 0 HB2 ASP B 426 4.979 -14.650 -24.255 1.00 0.00 H new ATOM 0 HB3 ASP B 426 3.251 -14.437 -24.054 1.00 0.00 H new ATOM 598 N GLU B 427 4.394 -10.909 -23.089 1.00 0.00 N ATOM 599 CA GLU B 427 4.181 -10.275 -21.798 1.00 0.00 C ATOM 600 C GLU B 427 2.907 -9.430 -21.826 1.00 0.00 C ATOM 601 O GLU B 427 2.324 -9.214 -22.888 1.00 0.00 O ATOM 602 CB GLU B 427 5.392 -9.430 -21.396 1.00 0.00 C ATOM 603 CG GLU B 427 6.017 -9.950 -20.100 1.00 0.00 C ATOM 604 CD GLU B 427 4.951 -10.162 -19.023 1.00 0.00 C ATOM 605 OE1 GLU B 427 4.688 -9.187 -18.287 1.00 0.00 O ATOM 606 OE2 GLU B 427 4.425 -11.294 -18.961 1.00 0.00 O ATOM 0 H GLU B 427 4.872 -10.327 -23.777 1.00 0.00 H new ATOM 0 HA GLU B 427 4.059 -11.055 -21.047 1.00 0.00 H new ATOM 0 HB2 GLU B 427 6.134 -9.448 -22.194 1.00 0.00 H new ATOM 0 HB3 GLU B 427 5.088 -8.391 -21.266 1.00 0.00 H new ATOM 0 HG2 GLU B 427 6.535 -10.889 -20.293 1.00 0.00 H new ATOM 0 HG3 GLU B 427 6.764 -9.241 -19.743 1.00 0.00 H new ATOM 613 N LEU B 428 2.512 -8.973 -20.647 1.00 0.00 N ATOM 614 CA LEU B 428 1.317 -8.156 -20.522 1.00 0.00 C ATOM 615 C LEU B 428 1.663 -6.864 -19.780 1.00 0.00 C ATOM 616 O LEU B 428 1.992 -6.894 -18.595 1.00 0.00 O ATOM 617 CB LEU B 428 0.186 -8.956 -19.871 1.00 0.00 C ATOM 618 CG LEU B 428 -1.233 -8.591 -20.311 1.00 0.00 C ATOM 619 CD1 LEU B 428 -1.577 -9.244 -21.651 1.00 0.00 C ATOM 620 CD2 LEU B 428 -2.251 -8.942 -19.224 1.00 0.00 C ATOM 0 H LEU B 428 2.999 -9.153 -19.769 1.00 0.00 H new ATOM 0 HA LEU B 428 0.947 -7.869 -21.506 1.00 0.00 H new ATOM 0 HB2 LEU B 428 0.349 -10.013 -20.079 1.00 0.00 H new ATOM 0 HB3 LEU B 428 0.254 -8.830 -18.790 1.00 0.00 H new ATOM 0 HG LEU B 428 -1.278 -7.512 -20.458 1.00 0.00 H new ATOM 0 HD11 LEU B 428 -2.591 -8.968 -21.940 1.00 0.00 H new ATOM 0 HD12 LEU B 428 -0.876 -8.902 -22.413 1.00 0.00 H new ATOM 0 HD13 LEU B 428 -1.509 -10.328 -21.556 1.00 0.00 H new ATOM 0 HD21 LEU B 428 -3.252 -8.672 -19.562 1.00 0.00 H new ATOM 0 HD22 LEU B 428 -2.212 -10.012 -19.021 1.00 0.00 H new ATOM 0 HD23 LEU B 428 -2.015 -8.392 -18.313 1.00 0.00 H new ATOM 632 N GLN B 429 1.576 -5.760 -20.507 1.00 0.00 N ATOM 633 CA GLN B 429 1.875 -4.460 -19.932 1.00 0.00 C ATOM 634 C GLN B 429 0.703 -3.976 -19.076 1.00 0.00 C ATOM 635 O GLN B 429 -0.455 -4.106 -19.471 1.00 0.00 O ATOM 636 CB GLN B 429 2.213 -3.442 -21.023 1.00 0.00 C ATOM 637 CG GLN B 429 3.122 -2.338 -20.481 1.00 0.00 C ATOM 638 CD GLN B 429 4.031 -1.786 -21.581 1.00 0.00 C ATOM 639 OE1 GLN B 429 3.880 -0.666 -22.043 1.00 0.00 O ATOM 640 NE2 GLN B 429 4.980 -2.631 -21.974 1.00 0.00 N ATOM 0 H GLN B 429 1.303 -5.739 -21.489 1.00 0.00 H new ATOM 0 HA GLN B 429 2.751 -4.561 -19.291 1.00 0.00 H new ATOM 0 HB2 GLN B 429 2.704 -3.946 -21.856 1.00 0.00 H new ATOM 0 HB3 GLN B 429 1.295 -3.003 -21.413 1.00 0.00 H new ATOM 0 HG2 GLN B 429 2.515 -1.532 -20.068 1.00 0.00 H new ATOM 0 HG3 GLN B 429 3.729 -2.730 -19.665 1.00 0.00 H new ATOM 0 HE21 GLN B 429 5.051 -3.554 -21.545 1.00 0.00 H new ATOM 0 HE22 GLN B 429 5.637 -2.356 -22.704 1.00 0.00 H new ATOM 649 N LEU B 430 1.043 -3.429 -17.918 1.00 0.00 N ATOM 650 CA LEU B 430 0.033 -2.926 -17.002 1.00 0.00 C ATOM 651 C LEU B 430 0.392 -1.497 -16.590 1.00 0.00 C ATOM 652 O LEU B 430 1.564 -1.179 -16.395 1.00 0.00 O ATOM 653 CB LEU B 430 -0.142 -3.881 -15.820 1.00 0.00 C ATOM 654 CG LEU B 430 -1.032 -5.100 -16.069 1.00 0.00 C ATOM 655 CD1 LEU B 430 -2.449 -4.675 -16.458 1.00 0.00 C ATOM 656 CD2 LEU B 430 -0.408 -6.031 -17.111 1.00 0.00 C ATOM 0 H LEU B 430 2.004 -3.323 -17.593 1.00 0.00 H new ATOM 0 HA LEU B 430 -0.939 -2.883 -17.493 1.00 0.00 H new ATOM 0 HB2 LEU B 430 0.843 -4.232 -15.513 1.00 0.00 H new ATOM 0 HB3 LEU B 430 -0.555 -3.319 -14.983 1.00 0.00 H new ATOM 0 HG LEU B 430 -1.108 -5.662 -15.138 1.00 0.00 H new ATOM 0 HD11 LEU B 430 -3.060 -5.561 -16.629 1.00 0.00 H new ATOM 0 HD12 LEU B 430 -2.885 -4.083 -15.653 1.00 0.00 H new ATOM 0 HD13 LEU B 430 -2.413 -4.078 -17.369 1.00 0.00 H new ATOM 0 HD21 LEU B 430 -1.061 -6.889 -17.269 1.00 0.00 H new ATOM 0 HD22 LEU B 430 -0.282 -5.493 -18.051 1.00 0.00 H new ATOM 0 HD23 LEU B 430 0.564 -6.375 -16.756 1.00 0.00 H new ATOM 668 N LYS B 431 -0.639 -0.673 -16.470 1.00 0.00 N ATOM 669 CA LYS B 431 -0.448 0.714 -16.084 1.00 0.00 C ATOM 670 C LYS B 431 -1.304 1.019 -14.853 1.00 0.00 C ATOM 671 O LYS B 431 -2.487 0.687 -14.817 1.00 0.00 O ATOM 672 CB LYS B 431 -0.721 1.643 -17.268 1.00 0.00 C ATOM 673 CG LYS B 431 -2.193 1.586 -17.681 1.00 0.00 C ATOM 674 CD LYS B 431 -2.422 0.514 -18.749 1.00 0.00 C ATOM 675 CE LYS B 431 -1.822 0.940 -20.090 1.00 0.00 C ATOM 676 NZ LYS B 431 -2.788 1.763 -20.852 1.00 0.00 N ATOM 0 H LYS B 431 -1.610 -0.940 -16.634 1.00 0.00 H new ATOM 0 HA LYS B 431 0.590 0.891 -15.803 1.00 0.00 H new ATOM 0 HB2 LYS B 431 -0.454 2.666 -17.002 1.00 0.00 H new ATOM 0 HB3 LYS B 431 -0.092 1.358 -18.111 1.00 0.00 H new ATOM 0 HG2 LYS B 431 -2.811 1.373 -16.809 1.00 0.00 H new ATOM 0 HG3 LYS B 431 -2.505 2.558 -18.063 1.00 0.00 H new ATOM 0 HD2 LYS B 431 -1.973 -0.426 -18.428 1.00 0.00 H new ATOM 0 HD3 LYS B 431 -3.491 0.334 -18.865 1.00 0.00 H new ATOM 0 HE2 LYS B 431 -0.906 1.506 -19.922 1.00 0.00 H new ATOM 0 HE3 LYS B 431 -1.550 0.058 -20.670 1.00 0.00 H new ATOM 0 HZ1 LYS B 431 -2.365 2.044 -21.760 1.00 0.00 H new ATOM 0 HZ2 LYS B 431 -3.651 1.211 -21.029 1.00 0.00 H new ATOM 0 HZ3 LYS B 431 -3.028 2.614 -20.304 1.00 0.00 H new ATOM 690 N ALA B 432 -0.671 1.649 -13.873 1.00 0.00 N ATOM 691 CA ALA B 432 -1.360 2.003 -12.644 1.00 0.00 C ATOM 692 C ALA B 432 -2.786 2.451 -12.974 1.00 0.00 C ATOM 693 O ALA B 432 -3.009 3.603 -13.341 1.00 0.00 O ATOM 694 CB ALA B 432 -0.566 3.083 -11.906 1.00 0.00 C ATOM 0 H ALA B 432 0.311 1.923 -13.906 1.00 0.00 H new ATOM 0 HA ALA B 432 -1.430 1.140 -11.982 1.00 0.00 H new ATOM 0 HB1 ALA B 432 -1.083 3.349 -10.984 1.00 0.00 H new ATOM 0 HB2 ALA B 432 0.428 2.705 -11.669 1.00 0.00 H new ATOM 0 HB3 ALA B 432 -0.477 3.966 -12.539 1.00 0.00 H new ATOM 700 N GLY B 433 -3.714 1.515 -12.831 1.00 0.00 N ATOM 701 CA GLY B 433 -5.111 1.800 -13.108 1.00 0.00 C ATOM 702 C GLY B 433 -5.517 1.264 -14.483 1.00 0.00 C ATOM 703 O GLY B 433 -6.168 1.964 -15.258 1.00 0.00 O ATOM 0 H GLY B 433 -3.525 0.560 -12.527 1.00 0.00 H new ATOM 0 HA2 GLY B 433 -5.738 1.349 -12.338 1.00 0.00 H new ATOM 0 HA3 GLY B 433 -5.281 2.876 -13.068 1.00 0.00 H new ATOM 707 N ASP B 434 -5.116 0.029 -14.744 1.00 0.00 N ATOM 708 CA ASP B 434 -5.429 -0.607 -16.012 1.00 0.00 C ATOM 709 C ASP B 434 -6.474 -1.701 -15.785 1.00 0.00 C ATOM 710 O ASP B 434 -6.771 -2.053 -14.645 1.00 0.00 O ATOM 711 CB ASP B 434 -4.186 -1.260 -16.622 1.00 0.00 C ATOM 712 CG ASP B 434 -4.431 -2.027 -17.923 1.00 0.00 C ATOM 713 OD1 ASP B 434 -5.108 -1.451 -18.803 1.00 0.00 O ATOM 714 OD2 ASP B 434 -3.937 -3.171 -18.009 1.00 0.00 O ATOM 0 H ASP B 434 -4.577 -0.548 -14.099 1.00 0.00 H new ATOM 0 HA ASP B 434 -5.804 0.159 -16.690 1.00 0.00 H new ATOM 0 HB2 ASP B 434 -3.442 -0.486 -16.809 1.00 0.00 H new ATOM 0 HB3 ASP B 434 -3.757 -1.944 -15.890 1.00 0.00 H new ATOM 719 N VAL B 435 -7.003 -2.208 -16.889 1.00 0.00 N ATOM 720 CA VAL B 435 -8.008 -3.255 -16.825 1.00 0.00 C ATOM 721 C VAL B 435 -7.480 -4.508 -17.525 1.00 0.00 C ATOM 722 O VAL B 435 -7.145 -4.467 -18.708 1.00 0.00 O ATOM 723 CB VAL B 435 -9.327 -2.751 -17.415 1.00 0.00 C ATOM 724 CG1 VAL B 435 -10.199 -2.105 -16.336 1.00 0.00 C ATOM 725 CG2 VAL B 435 -9.075 -1.780 -18.570 1.00 0.00 C ATOM 0 H VAL B 435 -6.754 -1.913 -17.833 1.00 0.00 H new ATOM 0 HA VAL B 435 -8.213 -3.524 -15.789 1.00 0.00 H new ATOM 0 HB VAL B 435 -9.867 -3.611 -17.812 1.00 0.00 H new ATOM 0 HG11 VAL B 435 -11.130 -1.755 -16.782 1.00 0.00 H new ATOM 0 HG12 VAL B 435 -10.421 -2.838 -15.560 1.00 0.00 H new ATOM 0 HG13 VAL B 435 -9.668 -1.261 -15.896 1.00 0.00 H new ATOM 0 HG21 VAL B 435 -10.029 -1.437 -18.971 1.00 0.00 H new ATOM 0 HG22 VAL B 435 -8.505 -0.925 -18.208 1.00 0.00 H new ATOM 0 HG23 VAL B 435 -8.512 -2.286 -19.354 1.00 0.00 H new ATOM 735 N VAL B 436 -7.422 -5.592 -16.766 1.00 0.00 N ATOM 736 CA VAL B 436 -6.941 -6.855 -17.300 1.00 0.00 C ATOM 737 C VAL B 436 -7.936 -7.963 -16.951 1.00 0.00 C ATOM 738 O VAL B 436 -8.464 -8.002 -15.841 1.00 0.00 O ATOM 739 CB VAL B 436 -5.528 -7.137 -16.785 1.00 0.00 C ATOM 740 CG1 VAL B 436 -5.224 -8.636 -16.810 1.00 0.00 C ATOM 741 CG2 VAL B 436 -4.486 -6.352 -17.584 1.00 0.00 C ATOM 0 H VAL B 436 -7.700 -5.622 -15.785 1.00 0.00 H new ATOM 0 HA VAL B 436 -6.873 -6.809 -18.387 1.00 0.00 H new ATOM 0 HB VAL B 436 -5.476 -6.803 -15.749 1.00 0.00 H new ATOM 0 HG11 VAL B 436 -4.214 -8.809 -16.439 1.00 0.00 H new ATOM 0 HG12 VAL B 436 -5.938 -9.163 -16.177 1.00 0.00 H new ATOM 0 HG13 VAL B 436 -5.303 -9.006 -17.832 1.00 0.00 H new ATOM 0 HG21 VAL B 436 -3.491 -6.571 -17.197 1.00 0.00 H new ATOM 0 HG22 VAL B 436 -4.539 -6.641 -18.634 1.00 0.00 H new ATOM 0 HG23 VAL B 436 -4.685 -5.284 -17.491 1.00 0.00 H new ATOM 751 N LEU B 437 -8.163 -8.838 -17.921 1.00 0.00 N ATOM 752 CA LEU B 437 -9.086 -9.943 -17.730 1.00 0.00 C ATOM 753 C LEU B 437 -8.294 -11.221 -17.447 1.00 0.00 C ATOM 754 O LEU B 437 -7.320 -11.518 -18.138 1.00 0.00 O ATOM 755 CB LEU B 437 -10.035 -10.060 -18.925 1.00 0.00 C ATOM 756 CG LEU B 437 -9.797 -9.074 -20.070 1.00 0.00 C ATOM 757 CD1 LEU B 437 -10.648 -9.433 -21.289 1.00 0.00 C ATOM 758 CD2 LEU B 437 -10.031 -7.634 -19.611 1.00 0.00 C ATOM 0 H LEU B 437 -7.723 -8.803 -18.841 1.00 0.00 H new ATOM 0 HA LEU B 437 -9.722 -9.763 -16.863 1.00 0.00 H new ATOM 0 HB2 LEU B 437 -9.963 -11.072 -19.323 1.00 0.00 H new ATOM 0 HB3 LEU B 437 -11.056 -9.930 -18.567 1.00 0.00 H new ATOM 0 HG LEU B 437 -8.753 -9.149 -20.374 1.00 0.00 H new ATOM 0 HD11 LEU B 437 -10.459 -8.716 -22.088 1.00 0.00 H new ATOM 0 HD12 LEU B 437 -10.389 -10.435 -21.631 1.00 0.00 H new ATOM 0 HD13 LEU B 437 -11.703 -9.404 -21.017 1.00 0.00 H new ATOM 0 HD21 LEU B 437 -9.855 -6.953 -20.444 1.00 0.00 H new ATOM 0 HD22 LEU B 437 -11.059 -7.525 -19.264 1.00 0.00 H new ATOM 0 HD23 LEU B 437 -9.346 -7.396 -18.797 1.00 0.00 H new ATOM 770 N VAL B 438 -8.741 -11.944 -16.431 1.00 0.00 N ATOM 771 CA VAL B 438 -8.086 -13.183 -16.048 1.00 0.00 C ATOM 772 C VAL B 438 -8.665 -14.336 -16.871 1.00 0.00 C ATOM 773 O VAL B 438 -9.817 -14.722 -16.680 1.00 0.00 O ATOM 774 CB VAL B 438 -8.218 -13.400 -14.540 1.00 0.00 C ATOM 775 CG1 VAL B 438 -7.792 -14.818 -14.151 1.00 0.00 C ATOM 776 CG2 VAL B 438 -7.415 -12.354 -13.763 1.00 0.00 C ATOM 0 H VAL B 438 -9.549 -11.695 -15.861 1.00 0.00 H new ATOM 0 HA VAL B 438 -7.019 -13.133 -16.263 1.00 0.00 H new ATOM 0 HB VAL B 438 -9.269 -13.281 -14.275 1.00 0.00 H new ATOM 0 HG11 VAL B 438 -7.895 -14.946 -13.074 1.00 0.00 H new ATOM 0 HG12 VAL B 438 -8.425 -15.542 -14.665 1.00 0.00 H new ATOM 0 HG13 VAL B 438 -6.752 -14.977 -14.437 1.00 0.00 H new ATOM 0 HG21 VAL B 438 -7.526 -12.531 -12.693 1.00 0.00 H new ATOM 0 HG22 VAL B 438 -6.362 -12.427 -14.036 1.00 0.00 H new ATOM 0 HG23 VAL B 438 -7.784 -11.358 -14.006 1.00 0.00 H new ATOM 786 N ILE B 439 -7.839 -14.853 -17.769 1.00 0.00 N ATOM 787 CA ILE B 439 -8.255 -15.954 -18.621 1.00 0.00 C ATOM 788 C ILE B 439 -7.400 -17.185 -18.311 1.00 0.00 C ATOM 789 O ILE B 439 -6.268 -17.057 -17.847 1.00 0.00 O ATOM 790 CB ILE B 439 -8.220 -15.536 -20.092 1.00 0.00 C ATOM 791 CG1 ILE B 439 -6.781 -15.313 -20.565 1.00 0.00 C ATOM 792 CG2 ILE B 439 -9.099 -14.307 -20.334 1.00 0.00 C ATOM 793 CD1 ILE B 439 -6.408 -13.831 -20.505 1.00 0.00 C ATOM 0 H ILE B 439 -6.884 -14.530 -17.925 1.00 0.00 H new ATOM 0 HA ILE B 439 -9.291 -16.225 -18.415 1.00 0.00 H new ATOM 0 HB ILE B 439 -8.633 -16.350 -20.688 1.00 0.00 H new ATOM 0 HG12 ILE B 439 -6.096 -15.889 -19.943 1.00 0.00 H new ATOM 0 HG13 ILE B 439 -6.669 -15.679 -21.586 1.00 0.00 H new ATOM 0 HG21 ILE B 439 -9.056 -14.031 -21.388 1.00 0.00 H new ATOM 0 HG22 ILE B 439 -10.129 -14.537 -20.061 1.00 0.00 H new ATOM 0 HG23 ILE B 439 -8.739 -13.477 -19.726 1.00 0.00 H new ATOM 0 HD11 ILE B 439 -5.381 -13.700 -20.846 1.00 0.00 H new ATOM 0 HD12 ILE B 439 -7.079 -13.261 -21.147 1.00 0.00 H new ATOM 0 HD13 ILE B 439 -6.498 -13.475 -19.479 1.00 0.00 H new ATOM 805 N PRO B 440 -7.990 -18.379 -18.586 1.00 0.00 N ATOM 806 CA PRO B 440 -7.294 -19.631 -18.342 1.00 0.00 C ATOM 807 C PRO B 440 -6.220 -19.878 -19.402 1.00 0.00 C ATOM 808 O PRO B 440 -6.530 -20.025 -20.583 1.00 0.00 O ATOM 809 CB PRO B 440 -8.383 -20.692 -18.341 1.00 0.00 C ATOM 810 CG PRO B 440 -9.576 -20.064 -19.043 1.00 0.00 C ATOM 811 CD PRO B 440 -9.329 -18.568 -19.136 1.00 0.00 C ATOM 0 HA PRO B 440 -6.752 -19.633 -17.396 1.00 0.00 H new ATOM 0 HB2 PRO B 440 -8.053 -21.591 -18.861 1.00 0.00 H new ATOM 0 HB3 PRO B 440 -8.639 -20.988 -17.324 1.00 0.00 H new ATOM 0 HG2 PRO B 440 -9.702 -20.492 -20.037 1.00 0.00 H new ATOM 0 HG3 PRO B 440 -10.493 -20.266 -18.490 1.00 0.00 H new ATOM 0 HD2 PRO B 440 -9.386 -18.221 -20.168 1.00 0.00 H new ATOM 0 HD3 PRO B 440 -10.073 -18.008 -18.569 1.00 0.00 H new ATOM 819 N PHE B 441 -4.978 -19.915 -18.943 1.00 0.00 N ATOM 820 CA PHE B 441 -3.855 -20.141 -19.837 1.00 0.00 C ATOM 821 C PHE B 441 -4.022 -21.453 -20.607 1.00 0.00 C ATOM 822 O PHE B 441 -5.015 -22.157 -20.431 1.00 0.00 O ATOM 823 CB PHE B 441 -2.600 -20.230 -18.966 1.00 0.00 C ATOM 824 CG PHE B 441 -2.828 -20.910 -17.615 1.00 0.00 C ATOM 825 CD1 PHE B 441 -3.762 -21.892 -17.496 1.00 0.00 C ATOM 826 CD2 PHE B 441 -2.097 -20.533 -16.532 1.00 0.00 C ATOM 827 CE1 PHE B 441 -3.973 -22.523 -16.242 1.00 0.00 C ATOM 828 CE2 PHE B 441 -2.308 -21.163 -15.277 1.00 0.00 C ATOM 829 CZ PHE B 441 -3.242 -22.145 -15.159 1.00 0.00 C ATOM 0 H PHE B 441 -4.724 -19.792 -17.963 1.00 0.00 H new ATOM 0 HA PHE B 441 -3.789 -19.331 -20.563 1.00 0.00 H new ATOM 0 HB2 PHE B 441 -1.830 -20.776 -19.511 1.00 0.00 H new ATOM 0 HB3 PHE B 441 -2.217 -19.224 -18.795 1.00 0.00 H new ATOM 0 HD1 PHE B 441 -4.343 -22.192 -18.356 1.00 0.00 H new ATOM 0 HD2 PHE B 441 -1.355 -19.754 -16.627 1.00 0.00 H new ATOM 0 HE1 PHE B 441 -4.714 -23.303 -16.148 1.00 0.00 H new ATOM 0 HE2 PHE B 441 -1.728 -20.863 -14.417 1.00 0.00 H new ATOM 0 HZ PHE B 441 -3.403 -22.625 -14.205 1.00 0.00 H new ATOM 931 N ASP B 448 3.397 -18.554 -14.206 1.00 0.00 N ATOM 932 CA ASP B 448 4.540 -18.172 -13.395 1.00 0.00 C ATOM 933 C ASP B 448 4.066 -17.831 -11.981 1.00 0.00 C ATOM 934 O ASP B 448 2.945 -17.360 -11.796 1.00 0.00 O ATOM 935 CB ASP B 448 5.237 -16.938 -13.971 1.00 0.00 C ATOM 936 CG ASP B 448 6.451 -16.451 -13.177 1.00 0.00 C ATOM 937 OD1 ASP B 448 7.363 -17.280 -12.970 1.00 0.00 O ATOM 938 OD2 ASP B 448 6.439 -15.261 -12.796 1.00 0.00 O ATOM 0 HA ASP B 448 5.239 -19.008 -13.384 1.00 0.00 H new ATOM 0 HB2 ASP B 448 5.554 -17.161 -14.990 1.00 0.00 H new ATOM 0 HB3 ASP B 448 4.513 -16.126 -14.033 1.00 0.00 H new ATOM 943 N GLU B 449 4.943 -18.081 -11.021 1.00 0.00 N ATOM 944 CA GLU B 449 4.628 -17.806 -9.629 1.00 0.00 C ATOM 945 C GLU B 449 4.543 -16.297 -9.393 1.00 0.00 C ATOM 946 O GLU B 449 5.527 -15.581 -9.570 1.00 0.00 O ATOM 947 CB GLU B 449 5.656 -18.450 -8.696 1.00 0.00 C ATOM 948 CG GLU B 449 6.894 -17.564 -8.550 1.00 0.00 C ATOM 949 CD GLU B 449 8.096 -18.377 -8.063 1.00 0.00 C ATOM 950 OE1 GLU B 449 8.527 -19.266 -8.829 1.00 0.00 O ATOM 951 OE2 GLU B 449 8.555 -18.091 -6.937 1.00 0.00 O ATOM 0 H GLU B 449 5.872 -18.471 -11.179 1.00 0.00 H new ATOM 0 HA GLU B 449 3.656 -18.245 -9.403 1.00 0.00 H new ATOM 0 HB2 GLU B 449 5.208 -18.619 -7.717 1.00 0.00 H new ATOM 0 HB3 GLU B 449 5.946 -19.425 -9.087 1.00 0.00 H new ATOM 0 HG2 GLU B 449 7.128 -17.100 -9.508 1.00 0.00 H new ATOM 0 HG3 GLU B 449 6.687 -16.757 -7.847 1.00 0.00 H new ATOM 958 N GLY B 450 3.357 -15.858 -8.996 1.00 0.00 N ATOM 959 CA GLY B 450 3.130 -14.447 -8.733 1.00 0.00 C ATOM 960 C GLY B 450 2.551 -13.746 -9.963 1.00 0.00 C ATOM 961 O GLY B 450 2.220 -12.563 -9.910 1.00 0.00 O ATOM 0 H GLY B 450 2.543 -16.455 -8.850 1.00 0.00 H new ATOM 0 HA2 GLY B 450 2.446 -14.336 -7.891 1.00 0.00 H new ATOM 0 HA3 GLY B 450 4.068 -13.971 -8.447 1.00 0.00 H new ATOM 965 N TRP B 451 2.446 -14.507 -11.043 1.00 0.00 N ATOM 966 CA TRP B 451 1.913 -13.973 -12.285 1.00 0.00 C ATOM 967 C TRP B 451 0.953 -15.011 -12.871 1.00 0.00 C ATOM 968 O TRP B 451 0.994 -16.181 -12.497 1.00 0.00 O ATOM 969 CB TRP B 451 3.040 -13.591 -13.247 1.00 0.00 C ATOM 970 CG TRP B 451 4.202 -12.852 -12.581 1.00 0.00 C ATOM 971 CD1 TRP B 451 4.892 -13.212 -11.489 1.00 0.00 C ATOM 972 CD2 TRP B 451 4.787 -11.605 -13.010 1.00 0.00 C ATOM 973 NE1 TRP B 451 5.874 -12.292 -11.185 1.00 0.00 N ATOM 974 CE2 TRP B 451 5.808 -11.283 -12.139 1.00 0.00 C ATOM 975 CE3 TRP B 451 4.463 -10.775 -14.098 1.00 0.00 C ATOM 976 CZ2 TRP B 451 6.589 -10.128 -12.267 1.00 0.00 C ATOM 977 CZ3 TRP B 451 5.253 -9.625 -14.211 1.00 0.00 C ATOM 978 CH2 TRP B 451 6.285 -9.287 -13.343 1.00 0.00 C ATOM 0 H TRP B 451 2.721 -15.488 -11.084 1.00 0.00 H new ATOM 0 HA TRP B 451 1.361 -13.051 -12.103 1.00 0.00 H new ATOM 0 HB2 TRP B 451 3.422 -14.495 -13.721 1.00 0.00 H new ATOM 0 HB3 TRP B 451 2.631 -12.964 -14.039 1.00 0.00 H new ATOM 0 HD1 TRP B 451 4.703 -14.110 -10.919 1.00 0.00 H new ATOM 0 HE1 TRP B 451 6.528 -12.343 -10.404 1.00 0.00 H new ATOM 0 HE3 TRP B 451 3.668 -11.006 -14.791 1.00 0.00 H new ATOM 0 HZ2 TRP B 451 7.384 -9.899 -11.572 1.00 0.00 H new ATOM 0 HZ3 TRP B 451 5.046 -8.953 -15.031 1.00 0.00 H new ATOM 0 HH2 TRP B 451 6.849 -8.379 -13.499 1.00 0.00 H new ATOM 989 N LEU B 452 0.111 -14.543 -13.781 1.00 0.00 N ATOM 990 CA LEU B 452 -0.857 -15.416 -14.424 1.00 0.00 C ATOM 991 C LEU B 452 -1.131 -14.910 -15.842 1.00 0.00 C ATOM 992 O LEU B 452 -0.711 -13.813 -16.205 1.00 0.00 O ATOM 993 CB LEU B 452 -2.116 -15.545 -13.563 1.00 0.00 C ATOM 994 CG LEU B 452 -2.152 -14.689 -12.296 1.00 0.00 C ATOM 995 CD1 LEU B 452 -3.587 -14.291 -11.945 1.00 0.00 C ATOM 996 CD2 LEU B 452 -1.454 -15.399 -11.134 1.00 0.00 C ATOM 0 H LEU B 452 0.079 -13.571 -14.088 1.00 0.00 H new ATOM 0 HA LEU B 452 -0.457 -16.426 -14.517 1.00 0.00 H new ATOM 0 HB2 LEU B 452 -2.980 -15.288 -14.176 1.00 0.00 H new ATOM 0 HB3 LEU B 452 -2.230 -16.590 -13.275 1.00 0.00 H new ATOM 0 HG LEU B 452 -1.600 -13.769 -12.489 1.00 0.00 H new ATOM 0 HD11 LEU B 452 -3.585 -13.683 -11.040 1.00 0.00 H new ATOM 0 HD12 LEU B 452 -4.017 -13.718 -12.766 1.00 0.00 H new ATOM 0 HD13 LEU B 452 -4.183 -15.188 -11.778 1.00 0.00 H new ATOM 0 HD21 LEU B 452 -1.494 -14.769 -10.246 1.00 0.00 H new ATOM 0 HD22 LEU B 452 -1.957 -16.345 -10.931 1.00 0.00 H new ATOM 0 HD23 LEU B 452 -0.414 -15.590 -11.397 1.00 0.00 H new ATOM 1008 N MET B 453 -1.834 -15.735 -16.604 1.00 0.00 N ATOM 1009 CA MET B 453 -2.169 -15.385 -17.974 1.00 0.00 C ATOM 1010 C MET B 453 -3.456 -14.560 -18.030 1.00 0.00 C ATOM 1011 O MET B 453 -4.535 -15.064 -17.721 1.00 0.00 O ATOM 1012 CB MET B 453 -2.344 -16.661 -18.799 1.00 0.00 C ATOM 1013 CG MET B 453 -2.939 -16.349 -20.174 1.00 0.00 C ATOM 1014 SD MET B 453 -1.840 -16.919 -21.459 1.00 0.00 S ATOM 1015 CE MET B 453 -0.400 -15.927 -21.098 1.00 0.00 C ATOM 0 H MET B 453 -2.181 -16.644 -16.299 1.00 0.00 H new ATOM 0 HA MET B 453 -1.357 -14.785 -18.385 1.00 0.00 H new ATOM 0 HB2 MET B 453 -1.380 -17.155 -18.920 1.00 0.00 H new ATOM 0 HB3 MET B 453 -2.994 -17.356 -18.267 1.00 0.00 H new ATOM 0 HG2 MET B 453 -3.912 -16.830 -20.276 1.00 0.00 H new ATOM 0 HG3 MET B 453 -3.102 -15.276 -20.274 1.00 0.00 H new ATOM 0 HE1 MET B 453 -0.296 -15.148 -21.853 1.00 0.00 H new ATOM 0 HE2 MET B 453 -0.512 -15.468 -20.116 1.00 0.00 H new ATOM 0 HE3 MET B 453 0.488 -16.559 -21.104 1.00 0.00 H new ATOM 1025 N GLY B 454 -3.300 -13.305 -18.425 1.00 0.00 N ATOM 1026 CA GLY B 454 -4.437 -12.405 -18.525 1.00 0.00 C ATOM 1027 C GLY B 454 -4.364 -11.570 -19.804 1.00 0.00 C ATOM 1028 O GLY B 454 -3.410 -11.684 -20.571 1.00 0.00 O ATOM 0 H GLY B 454 -2.404 -12.890 -18.680 1.00 0.00 H new ATOM 0 HA2 GLY B 454 -5.363 -12.980 -18.514 1.00 0.00 H new ATOM 0 HA3 GLY B 454 -4.461 -11.746 -17.657 1.00 0.00 H new ATOM 1032 N VAL B 455 -5.386 -10.748 -19.995 1.00 0.00 N ATOM 1033 CA VAL B 455 -5.450 -9.892 -21.168 1.00 0.00 C ATOM 1034 C VAL B 455 -5.951 -8.507 -20.756 1.00 0.00 C ATOM 1035 O VAL B 455 -6.782 -8.385 -19.857 1.00 0.00 O ATOM 1036 CB VAL B 455 -6.316 -10.546 -22.246 1.00 0.00 C ATOM 1037 CG1 VAL B 455 -7.684 -10.940 -21.687 1.00 0.00 C ATOM 1038 CG2 VAL B 455 -6.464 -9.628 -23.462 1.00 0.00 C ATOM 0 H VAL B 455 -6.177 -10.657 -19.357 1.00 0.00 H new ATOM 0 HA VAL B 455 -4.458 -9.763 -21.602 1.00 0.00 H new ATOM 0 HB VAL B 455 -5.813 -11.456 -22.572 1.00 0.00 H new ATOM 0 HG11 VAL B 455 -8.279 -11.403 -22.474 1.00 0.00 H new ATOM 0 HG12 VAL B 455 -7.552 -11.648 -20.868 1.00 0.00 H new ATOM 0 HG13 VAL B 455 -8.197 -10.051 -21.319 1.00 0.00 H new ATOM 0 HG21 VAL B 455 -7.084 -10.117 -24.214 1.00 0.00 H new ATOM 0 HG22 VAL B 455 -6.933 -8.693 -23.157 1.00 0.00 H new ATOM 0 HG23 VAL B 455 -5.480 -9.420 -23.883 1.00 0.00 H new ATOM 1048 N LYS B 456 -5.426 -7.497 -21.434 1.00 0.00 N ATOM 1049 CA LYS B 456 -5.810 -6.125 -21.150 1.00 0.00 C ATOM 1050 C LYS B 456 -7.152 -5.826 -21.822 1.00 0.00 C ATOM 1051 O LYS B 456 -7.550 -6.519 -22.756 1.00 0.00 O ATOM 1052 CB LYS B 456 -4.693 -5.161 -21.554 1.00 0.00 C ATOM 1053 CG LYS B 456 -3.806 -4.817 -20.355 1.00 0.00 C ATOM 1054 CD LYS B 456 -3.068 -3.495 -20.580 1.00 0.00 C ATOM 1055 CE LYS B 456 -2.167 -3.574 -21.814 1.00 0.00 C ATOM 1056 NZ LYS B 456 -1.680 -2.227 -22.187 1.00 0.00 N ATOM 0 H LYS B 456 -4.738 -7.602 -22.179 1.00 0.00 H new ATOM 0 HA LYS B 456 -5.950 -5.983 -20.078 1.00 0.00 H new ATOM 0 HB2 LYS B 456 -4.088 -5.609 -22.342 1.00 0.00 H new ATOM 0 HB3 LYS B 456 -5.126 -4.249 -21.965 1.00 0.00 H new ATOM 0 HG2 LYS B 456 -4.416 -4.748 -19.454 1.00 0.00 H new ATOM 0 HG3 LYS B 456 -3.084 -5.617 -20.191 1.00 0.00 H new ATOM 0 HD2 LYS B 456 -3.790 -2.688 -20.703 1.00 0.00 H new ATOM 0 HD3 LYS B 456 -2.468 -3.255 -19.702 1.00 0.00 H new ATOM 0 HE2 LYS B 456 -1.320 -4.230 -21.612 1.00 0.00 H new ATOM 0 HE3 LYS B 456 -2.718 -4.011 -22.647 1.00 0.00 H new ATOM 0 HZ1 LYS B 456 -1.198 -2.275 -23.108 1.00 0.00 H new ATOM 0 HZ2 LYS B 456 -2.485 -1.572 -22.251 1.00 0.00 H new ATOM 0 HZ3 LYS B 456 -1.013 -1.887 -21.465 1.00 0.00 H new ATOM 1070 N GLU B 457 -7.812 -4.793 -21.319 1.00 0.00 N ATOM 1071 CA GLU B 457 -9.101 -4.394 -21.859 1.00 0.00 C ATOM 1072 C GLU B 457 -8.977 -4.076 -23.350 1.00 0.00 C ATOM 1073 O GLU B 457 -9.815 -4.490 -24.149 1.00 0.00 O ATOM 1074 CB GLU B 457 -9.672 -3.202 -21.089 1.00 0.00 C ATOM 1075 CG GLU B 457 -10.903 -2.631 -21.797 1.00 0.00 C ATOM 1076 CD GLU B 457 -12.043 -2.389 -20.806 1.00 0.00 C ATOM 1077 OE1 GLU B 457 -11.952 -1.382 -20.071 1.00 0.00 O ATOM 1078 OE2 GLU B 457 -12.980 -3.217 -20.806 1.00 0.00 O ATOM 0 H GLU B 457 -7.479 -4.220 -20.544 1.00 0.00 H new ATOM 0 HA GLU B 457 -9.795 -5.226 -21.742 1.00 0.00 H new ATOM 0 HB2 GLU B 457 -9.940 -3.512 -20.079 1.00 0.00 H new ATOM 0 HB3 GLU B 457 -8.911 -2.428 -20.994 1.00 0.00 H new ATOM 0 HG2 GLU B 457 -10.641 -1.695 -22.291 1.00 0.00 H new ATOM 0 HG3 GLU B 457 -11.232 -3.321 -22.574 1.00 0.00 H new ATOM 1085 N SER B 458 -7.923 -3.343 -23.680 1.00 0.00 N ATOM 1086 CA SER B 458 -7.678 -2.964 -25.061 1.00 0.00 C ATOM 1087 C SER B 458 -7.530 -4.215 -25.928 1.00 0.00 C ATOM 1088 O SER B 458 -7.970 -4.235 -27.077 1.00 0.00 O ATOM 1089 CB SER B 458 -6.431 -2.085 -25.178 1.00 0.00 C ATOM 1090 OG SER B 458 -6.722 -0.821 -25.767 1.00 0.00 O ATOM 0 H SER B 458 -7.229 -3.002 -23.015 1.00 0.00 H new ATOM 0 HA SER B 458 -8.531 -2.385 -25.414 1.00 0.00 H new ATOM 0 HB2 SER B 458 -6.000 -1.933 -24.188 1.00 0.00 H new ATOM 0 HB3 SER B 458 -5.680 -2.600 -25.777 1.00 0.00 H new ATOM 0 HG SER B 458 -5.901 -0.289 -25.822 1.00 0.00 H new ATOM 1096 N ASP B 459 -6.907 -5.230 -25.346 1.00 0.00 N ATOM 1097 CA ASP B 459 -6.695 -6.482 -26.051 1.00 0.00 C ATOM 1098 C ASP B 459 -8.043 -7.173 -26.271 1.00 0.00 C ATOM 1099 O ASP B 459 -8.241 -7.848 -27.280 1.00 0.00 O ATOM 1100 CB ASP B 459 -5.807 -7.427 -25.240 1.00 0.00 C ATOM 1101 CG ASP B 459 -4.305 -7.162 -25.357 1.00 0.00 C ATOM 1102 OD1 ASP B 459 -3.941 -6.320 -26.207 1.00 0.00 O ATOM 1103 OD2 ASP B 459 -3.553 -7.806 -24.593 1.00 0.00 O ATOM 0 H ASP B 459 -6.542 -5.210 -24.394 1.00 0.00 H new ATOM 0 HA ASP B 459 -6.209 -6.256 -27.000 1.00 0.00 H new ATOM 0 HB2 ASP B 459 -6.092 -7.358 -24.190 1.00 0.00 H new ATOM 0 HB3 ASP B 459 -6.006 -8.451 -25.558 1.00 0.00 H new ATOM 1108 N TRP B 460 -8.935 -6.980 -25.311 1.00 0.00 N ATOM 1109 CA TRP B 460 -10.258 -7.576 -25.387 1.00 0.00 C ATOM 1110 C TRP B 460 -10.867 -7.202 -26.739 1.00 0.00 C ATOM 1111 O TRP B 460 -11.403 -8.059 -27.441 1.00 0.00 O ATOM 1112 CB TRP B 460 -11.123 -7.144 -24.201 1.00 0.00 C ATOM 1113 CG TRP B 460 -12.392 -7.979 -24.020 1.00 0.00 C ATOM 1114 CD1 TRP B 460 -12.985 -8.783 -24.913 1.00 0.00 C ATOM 1115 CD2 TRP B 460 -13.205 -8.060 -22.831 1.00 0.00 C ATOM 1116 NE1 TRP B 460 -14.117 -9.373 -24.389 1.00 0.00 N ATOM 1117 CE2 TRP B 460 -14.254 -8.920 -23.082 1.00 0.00 C ATOM 1118 CE3 TRP B 460 -13.059 -7.428 -21.583 1.00 0.00 C ATOM 1119 CZ2 TRP B 460 -15.238 -9.227 -22.134 1.00 0.00 C ATOM 1120 CZ3 TRP B 460 -14.050 -7.744 -20.647 1.00 0.00 C ATOM 1121 CH2 TRP B 460 -15.113 -8.608 -20.885 1.00 0.00 C ATOM 0 H TRP B 460 -8.768 -6.419 -24.476 1.00 0.00 H new ATOM 0 HA TRP B 460 -10.197 -8.662 -25.321 1.00 0.00 H new ATOM 0 HB2 TRP B 460 -10.528 -7.204 -23.290 1.00 0.00 H new ATOM 0 HB3 TRP B 460 -11.404 -6.099 -24.331 1.00 0.00 H new ATOM 0 HD1 TRP B 460 -12.622 -8.948 -25.917 1.00 0.00 H new ATOM 0 HE1 TRP B 460 -14.739 -10.022 -24.872 1.00 0.00 H new ATOM 0 HE3 TRP B 460 -12.246 -6.752 -21.364 1.00 0.00 H new ATOM 0 HZ2 TRP B 460 -16.049 -9.905 -22.355 1.00 0.00 H new ATOM 0 HZ3 TRP B 460 -13.985 -7.285 -19.672 1.00 0.00 H new ATOM 0 HH2 TRP B 460 -15.839 -8.801 -20.109 1.00 0.00 H new ATOM 1132 N ASN B 461 -10.765 -5.922 -27.065 1.00 0.00 N ATOM 1133 CA ASN B 461 -11.300 -5.424 -28.321 1.00 0.00 C ATOM 1134 C ASN B 461 -10.618 -6.149 -29.484 1.00 0.00 C ATOM 1135 O ASN B 461 -11.195 -6.279 -30.563 1.00 0.00 O ATOM 1136 CB ASN B 461 -11.035 -3.926 -28.478 1.00 0.00 C ATOM 1137 CG ASN B 461 -11.798 -3.121 -27.425 1.00 0.00 C ATOM 1138 OD1 ASN B 461 -12.939 -2.731 -27.611 1.00 0.00 O ATOM 1139 ND2 ASN B 461 -11.107 -2.894 -26.311 1.00 0.00 N ATOM 0 H ASN B 461 -10.320 -5.214 -26.481 1.00 0.00 H new ATOM 0 HA ASN B 461 -12.375 -5.602 -28.323 1.00 0.00 H new ATOM 0 HB2 ASN B 461 -9.967 -3.731 -28.387 1.00 0.00 H new ATOM 0 HB3 ASN B 461 -11.334 -3.603 -29.475 1.00 0.00 H new ATOM 0 HD21 ASN B 461 -11.529 -2.365 -25.548 1.00 0.00 H new ATOM 0 HD22 ASN B 461 -10.155 -3.249 -26.220 1.00 0.00 H new ATOM 1146 N GLN B 462 -9.401 -6.603 -29.224 1.00 0.00 N ATOM 1147 CA GLN B 462 -8.634 -7.310 -30.235 1.00 0.00 C ATOM 1148 C GLN B 462 -8.851 -8.820 -30.107 1.00 0.00 C ATOM 1149 O GLN B 462 -8.073 -9.610 -30.639 1.00 0.00 O ATOM 1150 CB GLN B 462 -7.148 -6.960 -30.141 1.00 0.00 C ATOM 1151 CG GLN B 462 -6.801 -5.790 -31.064 1.00 0.00 C ATOM 1152 CD GLN B 462 -6.952 -4.454 -30.335 1.00 0.00 C ATOM 1153 OE1 GLN B 462 -6.005 -3.895 -29.806 1.00 0.00 O ATOM 1154 NE2 GLN B 462 -8.192 -3.973 -30.337 1.00 0.00 N ATOM 0 H GLN B 462 -8.927 -6.495 -28.327 1.00 0.00 H new ATOM 0 HA GLN B 462 -8.986 -6.994 -31.217 1.00 0.00 H new ATOM 0 HB2 GLN B 462 -6.895 -6.704 -29.112 1.00 0.00 H new ATOM 0 HB3 GLN B 462 -6.548 -7.830 -30.409 1.00 0.00 H new ATOM 0 HG2 GLN B 462 -5.778 -5.898 -31.425 1.00 0.00 H new ATOM 0 HG3 GLN B 462 -7.451 -5.807 -31.939 1.00 0.00 H new ATOM 0 HE21 GLN B 462 -8.939 -4.491 -30.799 1.00 0.00 H new ATOM 0 HE22 GLN B 462 -8.396 -3.086 -29.877 1.00 0.00 H new ATOM 1163 N HIS B 463 -9.912 -9.174 -29.397 1.00 0.00 N ATOM 1164 CA HIS B 463 -10.241 -10.574 -29.191 1.00 0.00 C ATOM 1165 C HIS B 463 -10.121 -11.330 -30.516 1.00 0.00 C ATOM 1166 O HIS B 463 -9.916 -12.543 -30.526 1.00 0.00 O ATOM 1167 CB HIS B 463 -11.622 -10.720 -28.548 1.00 0.00 C ATOM 1168 CG HIS B 463 -12.369 -11.962 -28.972 1.00 0.00 C ATOM 1169 ND1 HIS B 463 -12.423 -13.106 -28.194 1.00 0.00 N ATOM 1170 CD2 HIS B 463 -13.091 -12.227 -30.098 1.00 0.00 C ATOM 1171 CE1 HIS B 463 -13.147 -14.012 -28.834 1.00 0.00 C ATOM 1172 NE2 HIS B 463 -13.560 -13.466 -30.013 1.00 0.00 N ATOM 0 H HIS B 463 -10.555 -8.515 -28.957 1.00 0.00 H new ATOM 0 HA HIS B 463 -9.531 -11.018 -28.493 1.00 0.00 H new ATOM 0 HB2 HIS B 463 -11.508 -10.730 -27.464 1.00 0.00 H new ATOM 0 HB3 HIS B 463 -12.222 -9.845 -28.797 1.00 0.00 H new ATOM 0 HD2 HIS B 463 -13.254 -11.545 -30.919 1.00 0.00 H new ATOM 0 HE1 HIS B 463 -13.371 -15.009 -28.483 1.00 0.00 H new ATOM 0 HE2 HIS B 463 -14.135 -13.933 -30.714 1.00 0.00 H new ATOM 1180 N LYS B 464 -10.254 -10.582 -31.601 1.00 0.00 N ATOM 1181 CA LYS B 464 -10.163 -11.166 -32.928 1.00 0.00 C ATOM 1182 C LYS B 464 -8.806 -11.855 -33.086 1.00 0.00 C ATOM 1183 O LYS B 464 -8.687 -12.840 -33.812 1.00 0.00 O ATOM 1184 CB LYS B 464 -10.444 -10.109 -33.999 1.00 0.00 C ATOM 1185 CG LYS B 464 -9.251 -9.166 -34.165 1.00 0.00 C ATOM 1186 CD LYS B 464 -9.558 -8.068 -35.185 1.00 0.00 C ATOM 1187 CE LYS B 464 -8.447 -7.967 -36.232 1.00 0.00 C ATOM 1188 NZ LYS B 464 -8.285 -6.566 -36.683 1.00 0.00 N ATOM 0 H LYS B 464 -10.424 -9.576 -31.588 1.00 0.00 H new ATOM 0 HA LYS B 464 -10.927 -11.932 -33.060 1.00 0.00 H new ATOM 0 HB2 LYS B 464 -10.661 -10.597 -34.949 1.00 0.00 H new ATOM 0 HB3 LYS B 464 -11.330 -9.536 -33.726 1.00 0.00 H new ATOM 0 HG2 LYS B 464 -9.003 -8.715 -33.204 1.00 0.00 H new ATOM 0 HG3 LYS B 464 -8.377 -9.732 -34.487 1.00 0.00 H new ATOM 0 HD2 LYS B 464 -10.508 -8.278 -35.676 1.00 0.00 H new ATOM 0 HD3 LYS B 464 -9.669 -7.112 -34.673 1.00 0.00 H new ATOM 0 HE2 LYS B 464 -7.509 -8.331 -35.812 1.00 0.00 H new ATOM 0 HE3 LYS B 464 -8.683 -8.605 -37.084 1.00 0.00 H new ATOM 0 HZ1 LYS B 464 -7.527 -6.515 -37.393 1.00 0.00 H new ATOM 0 HZ2 LYS B 464 -9.176 -6.231 -37.103 1.00 0.00 H new ATOM 0 HZ3 LYS B 464 -8.038 -5.966 -35.870 1.00 0.00 H new ATOM 1202 N LYS B 465 -7.817 -11.309 -32.393 1.00 0.00 N ATOM 1203 CA LYS B 465 -6.473 -11.858 -32.447 1.00 0.00 C ATOM 1204 C LYS B 465 -5.921 -11.983 -31.026 1.00 0.00 C ATOM 1205 O LYS B 465 -4.744 -11.716 -30.788 1.00 0.00 O ATOM 1206 CB LYS B 465 -5.590 -11.026 -33.379 1.00 0.00 C ATOM 1207 CG LYS B 465 -4.525 -11.897 -34.048 1.00 0.00 C ATOM 1208 CD LYS B 465 -4.248 -11.424 -35.477 1.00 0.00 C ATOM 1209 CE LYS B 465 -3.120 -10.391 -35.502 1.00 0.00 C ATOM 1210 NZ LYS B 465 -3.473 -9.260 -36.389 1.00 0.00 N ATOM 0 H LYS B 465 -7.920 -10.492 -31.791 1.00 0.00 H new ATOM 0 HA LYS B 465 -6.488 -12.861 -32.873 1.00 0.00 H new ATOM 0 HB2 LYS B 465 -6.207 -10.550 -34.141 1.00 0.00 H new ATOM 0 HB3 LYS B 465 -5.109 -10.228 -32.814 1.00 0.00 H new ATOM 0 HG2 LYS B 465 -3.604 -11.864 -33.465 1.00 0.00 H new ATOM 0 HG3 LYS B 465 -4.856 -12.935 -34.063 1.00 0.00 H new ATOM 0 HD2 LYS B 465 -3.979 -12.277 -36.101 1.00 0.00 H new ATOM 0 HD3 LYS B 465 -5.153 -10.990 -35.902 1.00 0.00 H new ATOM 0 HE2 LYS B 465 -2.932 -10.025 -34.493 1.00 0.00 H new ATOM 0 HE3 LYS B 465 -2.198 -10.859 -35.848 1.00 0.00 H new ATOM 0 HZ1 LYS B 465 -2.697 -8.568 -36.395 1.00 0.00 H new ATOM 0 HZ2 LYS B 465 -3.630 -9.612 -37.355 1.00 0.00 H new ATOM 0 HZ3 LYS B 465 -4.341 -8.804 -36.042 1.00 0.00 H new ATOM 1224 N LEU B 466 -6.797 -12.388 -30.118 1.00 0.00 N ATOM 1225 CA LEU B 466 -6.411 -12.552 -28.727 1.00 0.00 C ATOM 1226 C LEU B 466 -5.247 -13.541 -28.637 1.00 0.00 C ATOM 1227 O LEU B 466 -4.409 -13.441 -27.742 1.00 0.00 O ATOM 1228 CB LEU B 466 -7.621 -12.948 -27.878 1.00 0.00 C ATOM 1229 CG LEU B 466 -7.702 -14.421 -27.472 1.00 0.00 C ATOM 1230 CD1 LEU B 466 -8.577 -14.599 -26.229 1.00 0.00 C ATOM 1231 CD2 LEU B 466 -8.181 -15.286 -28.639 1.00 0.00 C ATOM 0 H LEU B 466 -7.773 -12.607 -30.319 1.00 0.00 H new ATOM 0 HA LEU B 466 -6.058 -11.606 -28.316 1.00 0.00 H new ATOM 0 HB2 LEU B 466 -7.619 -12.342 -26.972 1.00 0.00 H new ATOM 0 HB3 LEU B 466 -8.526 -12.693 -28.430 1.00 0.00 H new ATOM 0 HG LEU B 466 -6.699 -14.760 -27.211 1.00 0.00 H new ATOM 0 HD11 LEU B 466 -8.618 -15.655 -25.961 1.00 0.00 H new ATOM 0 HD12 LEU B 466 -8.153 -14.031 -25.401 1.00 0.00 H new ATOM 0 HD13 LEU B 466 -9.584 -14.238 -26.438 1.00 0.00 H new ATOM 0 HD21 LEU B 466 -8.230 -16.328 -28.323 1.00 0.00 H new ATOM 0 HD22 LEU B 466 -9.171 -14.956 -28.954 1.00 0.00 H new ATOM 0 HD23 LEU B 466 -7.484 -15.191 -29.472 1.00 0.00 H new ATOM 1243 N GLU B 467 -5.233 -14.475 -29.578 1.00 0.00 N ATOM 1244 CA GLU B 467 -4.186 -15.482 -29.616 1.00 0.00 C ATOM 1245 C GLU B 467 -2.809 -14.816 -29.629 1.00 0.00 C ATOM 1246 O GLU B 467 -1.804 -15.453 -29.316 1.00 0.00 O ATOM 1247 CB GLU B 467 -4.359 -16.407 -30.822 1.00 0.00 C ATOM 1248 CG GLU B 467 -4.886 -17.777 -30.391 1.00 0.00 C ATOM 1249 CD GLU B 467 -4.716 -18.807 -31.510 1.00 0.00 C ATOM 1250 OE1 GLU B 467 -5.033 -18.447 -32.665 1.00 0.00 O ATOM 1251 OE2 GLU B 467 -4.272 -19.929 -31.186 1.00 0.00 O ATOM 0 H GLU B 467 -5.929 -14.555 -30.319 1.00 0.00 H new ATOM 0 HA GLU B 467 -4.264 -16.093 -28.717 1.00 0.00 H new ATOM 0 HB2 GLU B 467 -5.049 -15.956 -31.535 1.00 0.00 H new ATOM 0 HB3 GLU B 467 -3.404 -16.525 -31.334 1.00 0.00 H new ATOM 0 HG2 GLU B 467 -4.354 -18.111 -29.500 1.00 0.00 H new ATOM 0 HG3 GLU B 467 -5.939 -17.697 -30.122 1.00 0.00 H new ATOM 1258 N LYS B 468 -2.806 -13.542 -29.995 1.00 0.00 N ATOM 1259 CA LYS B 468 -1.569 -12.783 -30.053 1.00 0.00 C ATOM 1260 C LYS B 468 -1.593 -11.692 -28.980 1.00 0.00 C ATOM 1261 O LYS B 468 -0.722 -10.824 -28.952 1.00 0.00 O ATOM 1262 CB LYS B 468 -1.334 -12.249 -31.468 1.00 0.00 C ATOM 1263 CG LYS B 468 -1.368 -13.382 -32.495 1.00 0.00 C ATOM 1264 CD LYS B 468 -0.090 -13.400 -33.334 1.00 0.00 C ATOM 1265 CE LYS B 468 0.802 -14.582 -32.950 1.00 0.00 C ATOM 1266 NZ LYS B 468 2.230 -14.232 -33.122 1.00 0.00 N ATOM 0 H LYS B 468 -3.641 -13.017 -30.254 1.00 0.00 H new ATOM 0 HA LYS B 468 -0.717 -13.427 -29.834 1.00 0.00 H new ATOM 0 HB2 LYS B 468 -2.096 -11.509 -31.712 1.00 0.00 H new ATOM 0 HB3 LYS B 468 -0.371 -11.741 -31.513 1.00 0.00 H new ATOM 0 HG2 LYS B 468 -1.485 -14.338 -31.984 1.00 0.00 H new ATOM 0 HG3 LYS B 468 -2.233 -13.261 -33.147 1.00 0.00 H new ATOM 0 HD2 LYS B 468 -0.346 -13.462 -34.392 1.00 0.00 H new ATOM 0 HD3 LYS B 468 0.456 -12.467 -33.192 1.00 0.00 H new ATOM 0 HE2 LYS B 468 0.613 -14.866 -31.915 1.00 0.00 H new ATOM 0 HE3 LYS B 468 0.556 -15.446 -33.567 1.00 0.00 H new ATOM 0 HZ1 LYS B 468 2.821 -15.046 -32.857 1.00 0.00 H new ATOM 0 HZ2 LYS B 468 2.409 -13.983 -34.116 1.00 0.00 H new ATOM 0 HZ3 LYS B 468 2.464 -13.421 -32.514 1.00 0.00 H new ATOM 1280 N CYS B 469 -2.600 -11.773 -28.123 1.00 0.00 N ATOM 1281 CA CYS B 469 -2.749 -10.804 -27.051 1.00 0.00 C ATOM 1282 C CYS B 469 -2.404 -11.492 -25.729 1.00 0.00 C ATOM 1283 O CYS B 469 -2.069 -10.829 -24.749 1.00 0.00 O ATOM 1284 CB CYS B 469 -4.154 -10.197 -27.028 1.00 0.00 C ATOM 1285 SG CYS B 469 -5.252 -11.201 -25.962 1.00 0.00 S ATOM 0 H CYS B 469 -3.320 -12.495 -28.149 1.00 0.00 H new ATOM 0 HA CYS B 469 -2.066 -9.970 -27.215 1.00 0.00 H new ATOM 0 HB2 CYS B 469 -4.111 -9.173 -26.657 1.00 0.00 H new ATOM 0 HB3 CYS B 469 -4.557 -10.153 -28.040 1.00 0.00 H new ATOM 0 HG CYS B 469 -5.162 -12.452 -26.303 1.00 0.00 H new ATOM 1291 N ARG B 470 -2.498 -12.814 -25.745 1.00 0.00 N ATOM 1292 CA ARG B 470 -2.199 -13.599 -24.559 1.00 0.00 C ATOM 1293 C ARG B 470 -0.842 -13.192 -23.981 1.00 0.00 C ATOM 1294 O ARG B 470 0.161 -13.176 -24.692 1.00 0.00 O ATOM 1295 CB ARG B 470 -2.181 -15.095 -24.880 1.00 0.00 C ATOM 1296 CG ARG B 470 -3.477 -15.523 -25.572 1.00 0.00 C ATOM 1297 CD ARG B 470 -4.100 -16.731 -24.869 1.00 0.00 C ATOM 1298 NE ARG B 470 -4.396 -17.793 -25.856 1.00 0.00 N ATOM 1299 CZ ARG B 470 -5.527 -17.861 -26.571 1.00 0.00 C ATOM 1300 NH1 ARG B 470 -6.476 -16.928 -26.414 1.00 0.00 N ATOM 1301 NH2 ARG B 470 -5.710 -18.861 -27.444 1.00 0.00 N ATOM 0 H ARG B 470 -2.777 -13.361 -26.560 1.00 0.00 H new ATOM 0 HA ARG B 470 -2.982 -13.405 -23.826 1.00 0.00 H new ATOM 0 HB2 ARG B 470 -1.330 -15.323 -25.522 1.00 0.00 H new ATOM 0 HB3 ARG B 470 -2.049 -15.666 -23.961 1.00 0.00 H new ATOM 0 HG2 ARG B 470 -4.184 -14.694 -25.573 1.00 0.00 H new ATOM 0 HG3 ARG B 470 -3.273 -15.769 -26.614 1.00 0.00 H new ATOM 0 HD2 ARG B 470 -3.419 -17.110 -24.107 1.00 0.00 H new ATOM 0 HD3 ARG B 470 -5.015 -16.433 -24.358 1.00 0.00 H new ATOM 0 HE ARG B 470 -3.695 -18.519 -26.001 1.00 0.00 H new ATOM 0 HH11 ARG B 470 -6.337 -16.166 -25.750 1.00 0.00 H new ATOM 0 HH12 ARG B 470 -7.337 -16.980 -26.958 1.00 0.00 H new ATOM 0 HH21 ARG B 470 -4.988 -19.571 -27.565 1.00 0.00 H new ATOM 0 HH22 ARG B 470 -6.571 -18.912 -27.988 1.00 0.00 H new ATOM 1315 N GLY B 471 -0.855 -12.873 -22.695 1.00 0.00 N ATOM 1316 CA GLY B 471 0.361 -12.465 -22.013 1.00 0.00 C ATOM 1317 C GLY B 471 0.311 -12.841 -20.530 1.00 0.00 C ATOM 1318 O GLY B 471 -0.654 -13.452 -20.073 1.00 0.00 O ATOM 0 H GLY B 471 -1.689 -12.889 -22.108 1.00 0.00 H new ATOM 0 HA2 GLY B 471 1.222 -12.939 -22.483 1.00 0.00 H new ATOM 0 HA3 GLY B 471 0.495 -11.388 -22.114 1.00 0.00 H new ATOM 1322 N VAL B 472 1.363 -12.459 -19.820 1.00 0.00 N ATOM 1323 CA VAL B 472 1.451 -12.748 -18.399 1.00 0.00 C ATOM 1324 C VAL B 472 1.519 -11.434 -17.619 1.00 0.00 C ATOM 1325 O VAL B 472 2.036 -10.437 -18.120 1.00 0.00 O ATOM 1326 CB VAL B 472 2.641 -13.669 -18.125 1.00 0.00 C ATOM 1327 CG1 VAL B 472 2.962 -13.720 -16.630 1.00 0.00 C ATOM 1328 CG2 VAL B 472 2.388 -15.072 -18.679 1.00 0.00 C ATOM 0 H VAL B 472 2.161 -11.952 -20.203 1.00 0.00 H new ATOM 0 HA VAL B 472 0.562 -13.280 -18.062 1.00 0.00 H new ATOM 0 HB VAL B 472 3.509 -13.257 -18.640 1.00 0.00 H new ATOM 0 HG11 VAL B 472 3.812 -14.382 -16.463 1.00 0.00 H new ATOM 0 HG12 VAL B 472 3.207 -12.719 -16.276 1.00 0.00 H new ATOM 0 HG13 VAL B 472 2.096 -14.096 -16.085 1.00 0.00 H new ATOM 0 HG21 VAL B 472 3.250 -15.706 -18.471 1.00 0.00 H new ATOM 0 HG22 VAL B 472 1.502 -15.496 -18.206 1.00 0.00 H new ATOM 0 HG23 VAL B 472 2.232 -15.015 -19.756 1.00 0.00 H new ATOM 1338 N PHE B 473 0.990 -11.475 -16.405 1.00 0.00 N ATOM 1339 CA PHE B 473 0.987 -10.299 -15.550 1.00 0.00 C ATOM 1340 C PHE B 473 1.023 -10.696 -14.073 1.00 0.00 C ATOM 1341 O PHE B 473 0.449 -11.712 -13.685 1.00 0.00 O ATOM 1342 CB PHE B 473 -0.315 -9.546 -15.832 1.00 0.00 C ATOM 1343 CG PHE B 473 -1.567 -10.245 -15.298 1.00 0.00 C ATOM 1344 CD1 PHE B 473 -2.099 -11.297 -15.976 1.00 0.00 C ATOM 1345 CD2 PHE B 473 -2.147 -9.815 -14.146 1.00 0.00 C ATOM 1346 CE1 PHE B 473 -3.261 -11.946 -15.481 1.00 0.00 C ATOM 1347 CE2 PHE B 473 -3.309 -10.464 -13.651 1.00 0.00 C ATOM 1348 CZ PHE B 473 -3.841 -11.516 -14.329 1.00 0.00 C ATOM 0 H PHE B 473 0.561 -12.303 -15.993 1.00 0.00 H new ATOM 0 HA PHE B 473 1.865 -9.686 -15.755 1.00 0.00 H new ATOM 0 HB2 PHE B 473 -0.250 -8.552 -15.390 1.00 0.00 H new ATOM 0 HB3 PHE B 473 -0.418 -9.411 -16.909 1.00 0.00 H new ATOM 0 HD1 PHE B 473 -1.638 -11.639 -16.891 1.00 0.00 H new ATOM 0 HD2 PHE B 473 -1.724 -8.980 -13.607 1.00 0.00 H new ATOM 0 HE1 PHE B 473 -3.684 -12.781 -16.020 1.00 0.00 H new ATOM 0 HE2 PHE B 473 -3.770 -10.122 -12.736 1.00 0.00 H new ATOM 0 HZ PHE B 473 -4.724 -12.010 -13.952 1.00 0.00 H new ATOM 1358 N PRO B 474 1.723 -9.851 -13.268 1.00 0.00 N ATOM 1359 CA PRO B 474 1.842 -10.103 -11.842 1.00 0.00 C ATOM 1360 C PRO B 474 0.537 -9.770 -11.116 1.00 0.00 C ATOM 1361 O PRO B 474 0.146 -8.606 -11.036 1.00 0.00 O ATOM 1362 CB PRO B 474 3.011 -9.245 -11.387 1.00 0.00 C ATOM 1363 CG PRO B 474 3.206 -8.197 -12.472 1.00 0.00 C ATOM 1364 CD PRO B 474 2.416 -8.639 -13.693 1.00 0.00 C ATOM 0 HA PRO B 474 2.024 -11.153 -11.614 1.00 0.00 H new ATOM 0 HB2 PRO B 474 2.801 -8.777 -10.425 1.00 0.00 H new ATOM 0 HB3 PRO B 474 3.911 -9.847 -11.259 1.00 0.00 H new ATOM 0 HG2 PRO B 474 2.862 -7.222 -12.127 1.00 0.00 H new ATOM 0 HG3 PRO B 474 4.263 -8.094 -12.718 1.00 0.00 H new ATOM 0 HD2 PRO B 474 1.711 -7.870 -14.008 1.00 0.00 H new ATOM 0 HD3 PRO B 474 3.073 -8.835 -14.540 1.00 0.00 H new ATOM 1372 N GLU B 475 -0.101 -10.812 -10.605 1.00 0.00 N ATOM 1373 CA GLU B 475 -1.354 -10.645 -9.888 1.00 0.00 C ATOM 1374 C GLU B 475 -1.115 -9.913 -8.566 1.00 0.00 C ATOM 1375 O GLU B 475 -2.002 -9.222 -8.066 1.00 0.00 O ATOM 1376 CB GLU B 475 -2.035 -11.995 -9.652 1.00 0.00 C ATOM 1377 CG GLU B 475 -3.061 -11.901 -8.521 1.00 0.00 C ATOM 1378 CD GLU B 475 -4.286 -12.768 -8.819 1.00 0.00 C ATOM 1379 OE1 GLU B 475 -5.022 -12.405 -9.762 1.00 0.00 O ATOM 1380 OE2 GLU B 475 -4.459 -13.773 -8.097 1.00 0.00 O ATOM 0 H GLU B 475 0.226 -11.776 -10.673 1.00 0.00 H new ATOM 0 HA GLU B 475 -2.023 -10.040 -10.500 1.00 0.00 H new ATOM 0 HB2 GLU B 475 -2.527 -12.323 -10.568 1.00 0.00 H new ATOM 0 HB3 GLU B 475 -1.285 -12.747 -9.406 1.00 0.00 H new ATOM 0 HG2 GLU B 475 -2.605 -12.220 -7.584 1.00 0.00 H new ATOM 0 HG3 GLU B 475 -3.368 -10.864 -8.389 1.00 0.00 H new ATOM 1387 N ASN B 476 0.087 -10.090 -8.037 1.00 0.00 N ATOM 1388 CA ASN B 476 0.453 -9.455 -6.782 1.00 0.00 C ATOM 1389 C ASN B 476 0.612 -7.949 -7.004 1.00 0.00 C ATOM 1390 O ASN B 476 0.802 -7.194 -6.052 1.00 0.00 O ATOM 1391 CB ASN B 476 1.783 -9.998 -6.257 1.00 0.00 C ATOM 1392 CG ASN B 476 1.897 -11.504 -6.507 1.00 0.00 C ATOM 1393 OD1 ASN B 476 0.916 -12.203 -6.698 1.00 0.00 O ATOM 1394 ND2 ASN B 476 3.146 -11.961 -6.494 1.00 0.00 N ATOM 0 H ASN B 476 0.820 -10.664 -8.454 1.00 0.00 H new ATOM 0 HA ASN B 476 -0.333 -9.664 -6.057 1.00 0.00 H new ATOM 0 HB2 ASN B 476 2.609 -9.481 -6.745 1.00 0.00 H new ATOM 0 HB3 ASN B 476 1.867 -9.796 -5.189 1.00 0.00 H new ATOM 0 HD21 ASN B 476 3.328 -12.952 -6.650 1.00 0.00 H new ATOM 0 HD22 ASN B 476 3.922 -11.320 -6.328 1.00 0.00 H new ATOM 1401 N PHE B 477 0.528 -7.558 -8.267 1.00 0.00 N ATOM 1402 CA PHE B 477 0.660 -6.156 -8.627 1.00 0.00 C ATOM 1403 C PHE B 477 -0.657 -5.605 -9.177 1.00 0.00 C ATOM 1404 O PHE B 477 -0.729 -4.443 -9.575 1.00 0.00 O ATOM 1405 CB PHE B 477 1.730 -6.073 -9.717 1.00 0.00 C ATOM 1406 CG PHE B 477 1.412 -5.068 -10.826 1.00 0.00 C ATOM 1407 CD1 PHE B 477 0.447 -5.349 -11.743 1.00 0.00 C ATOM 1408 CD2 PHE B 477 2.093 -3.893 -10.894 1.00 0.00 C ATOM 1409 CE1 PHE B 477 0.152 -4.416 -12.771 1.00 0.00 C ATOM 1410 CE2 PHE B 477 1.798 -2.959 -11.923 1.00 0.00 C ATOM 1411 CZ PHE B 477 0.833 -3.241 -12.840 1.00 0.00 C ATOM 0 H PHE B 477 0.370 -8.187 -9.054 1.00 0.00 H new ATOM 0 HA PHE B 477 0.929 -5.570 -7.748 1.00 0.00 H new ATOM 0 HB2 PHE B 477 2.681 -5.803 -9.258 1.00 0.00 H new ATOM 0 HB3 PHE B 477 1.859 -7.060 -10.161 1.00 0.00 H new ATOM 0 HD1 PHE B 477 -0.094 -6.282 -11.689 1.00 0.00 H new ATOM 0 HD2 PHE B 477 2.858 -3.670 -10.165 1.00 0.00 H new ATOM 0 HE1 PHE B 477 -0.614 -4.639 -13.499 1.00 0.00 H new ATOM 0 HE2 PHE B 477 2.339 -2.026 -11.977 1.00 0.00 H new ATOM 0 HZ PHE B 477 0.608 -2.532 -13.623 1.00 0.00 H new ATOM 1421 N THR B 478 -1.665 -6.465 -9.183 1.00 0.00 N ATOM 1422 CA THR B 478 -2.975 -6.078 -9.676 1.00 0.00 C ATOM 1423 C THR B 478 -4.054 -6.411 -8.644 1.00 0.00 C ATOM 1424 O THR B 478 -3.759 -6.982 -7.595 1.00 0.00 O ATOM 1425 CB THR B 478 -3.194 -6.764 -11.026 1.00 0.00 C ATOM 1426 OG1 THR B 478 -2.429 -7.963 -10.934 1.00 0.00 O ATOM 1427 CG2 THR B 478 -2.549 -5.998 -12.183 1.00 0.00 C ATOM 0 H THR B 478 -1.600 -7.428 -8.854 1.00 0.00 H new ATOM 0 HA THR B 478 -3.037 -5.000 -9.828 1.00 0.00 H new ATOM 0 HB THR B 478 -4.263 -6.869 -11.211 1.00 0.00 H new ATOM 0 HG1 THR B 478 -1.503 -7.782 -11.200 1.00 0.00 H new ATOM 0 HG21 THR B 478 -2.734 -6.527 -13.118 1.00 0.00 H new ATOM 0 HG22 THR B 478 -2.978 -4.998 -12.241 1.00 0.00 H new ATOM 0 HG23 THR B 478 -1.475 -5.923 -12.015 1.00 0.00 H new ATOM 1435 N GLU B 479 -5.282 -6.041 -8.977 1.00 0.00 N ATOM 1436 CA GLU B 479 -6.406 -6.294 -8.091 1.00 0.00 C ATOM 1437 C GLU B 479 -7.583 -6.870 -8.880 1.00 0.00 C ATOM 1438 O GLU B 479 -7.783 -6.526 -10.044 1.00 0.00 O ATOM 1439 CB GLU B 479 -6.815 -5.022 -7.347 1.00 0.00 C ATOM 1440 CG GLU B 479 -7.274 -5.343 -5.923 1.00 0.00 C ATOM 1441 CD GLU B 479 -8.437 -4.441 -5.505 1.00 0.00 C ATOM 1442 OE1 GLU B 479 -9.564 -4.718 -5.967 1.00 0.00 O ATOM 1443 OE2 GLU B 479 -8.171 -3.494 -4.733 1.00 0.00 O ATOM 0 H GLU B 479 -5.523 -5.568 -9.848 1.00 0.00 H new ATOM 0 HA GLU B 479 -6.099 -7.028 -7.346 1.00 0.00 H new ATOM 0 HB2 GLU B 479 -5.974 -4.329 -7.314 1.00 0.00 H new ATOM 0 HB3 GLU B 479 -7.619 -4.522 -7.888 1.00 0.00 H new ATOM 0 HG2 GLU B 479 -7.579 -6.388 -5.862 1.00 0.00 H new ATOM 0 HG3 GLU B 479 -6.442 -5.214 -5.231 1.00 0.00 H new ATOM 1450 N ARG B 480 -8.332 -7.738 -8.215 1.00 0.00 N ATOM 1451 CA ARG B 480 -9.484 -8.365 -8.839 1.00 0.00 C ATOM 1452 C ARG B 480 -10.709 -7.454 -8.729 1.00 0.00 C ATOM 1453 O ARG B 480 -10.952 -6.859 -7.681 1.00 0.00 O ATOM 1454 CB ARG B 480 -9.799 -9.712 -8.186 1.00 0.00 C ATOM 1455 CG ARG B 480 -8.535 -10.562 -8.046 1.00 0.00 C ATOM 1456 CD ARG B 480 -8.856 -12.051 -8.187 1.00 0.00 C ATOM 1457 NE ARG B 480 -8.286 -12.803 -7.046 1.00 0.00 N ATOM 1458 CZ ARG B 480 -8.819 -12.821 -5.817 1.00 0.00 C ATOM 1459 NH1 ARG B 480 -9.938 -12.130 -5.561 1.00 0.00 N ATOM 1460 NH2 ARG B 480 -8.232 -13.531 -4.843 1.00 0.00 N ATOM 0 H ARG B 480 -8.163 -8.022 -7.250 1.00 0.00 H new ATOM 0 HA ARG B 480 -9.243 -8.531 -9.889 1.00 0.00 H new ATOM 0 HB2 ARG B 480 -10.243 -9.549 -7.204 1.00 0.00 H new ATOM 0 HB3 ARG B 480 -10.537 -10.247 -8.784 1.00 0.00 H new ATOM 0 HG2 ARG B 480 -7.810 -10.269 -8.805 1.00 0.00 H new ATOM 0 HG3 ARG B 480 -8.073 -10.376 -7.076 1.00 0.00 H new ATOM 0 HD2 ARG B 480 -9.936 -12.196 -8.226 1.00 0.00 H new ATOM 0 HD3 ARG B 480 -8.449 -12.432 -9.124 1.00 0.00 H new ATOM 0 HE ARG B 480 -7.434 -13.341 -7.206 1.00 0.00 H new ATOM 0 HH11 ARG B 480 -10.385 -11.590 -6.302 1.00 0.00 H new ATOM 0 HH12 ARG B 480 -10.343 -12.144 -4.625 1.00 0.00 H new ATOM 0 HH21 ARG B 480 -7.380 -14.057 -5.038 1.00 0.00 H new ATOM 0 HH22 ARG B 480 -8.637 -13.545 -3.907 1.00 0.00 H new ATOM 1474 N VAL B 481 -11.448 -7.375 -9.826 1.00 0.00 N ATOM 1475 CA VAL B 481 -12.641 -6.546 -9.866 1.00 0.00 C ATOM 1476 C VAL B 481 -13.878 -7.443 -9.941 1.00 0.00 C ATOM 1477 O VAL B 481 -14.042 -8.201 -10.896 1.00 0.00 O ATOM 1478 CB VAL B 481 -12.550 -5.554 -11.028 1.00 0.00 C ATOM 1479 CG1 VAL B 481 -13.745 -4.599 -11.028 1.00 0.00 C ATOM 1480 CG2 VAL B 481 -11.230 -4.781 -10.987 1.00 0.00 C ATOM 0 H VAL B 481 -11.244 -7.871 -10.693 1.00 0.00 H new ATOM 0 HA VAL B 481 -12.725 -5.953 -8.955 1.00 0.00 H new ATOM 0 HB VAL B 481 -12.576 -6.123 -11.957 1.00 0.00 H new ATOM 0 HG11 VAL B 481 -13.656 -3.905 -11.863 1.00 0.00 H new ATOM 0 HG12 VAL B 481 -14.668 -5.171 -11.128 1.00 0.00 H new ATOM 0 HG13 VAL B 481 -13.764 -4.040 -10.092 1.00 0.00 H new ATOM 0 HG21 VAL B 481 -11.191 -4.083 -11.823 1.00 0.00 H new ATOM 0 HG22 VAL B 481 -11.161 -4.229 -10.050 1.00 0.00 H new ATOM 0 HG23 VAL B 481 -10.397 -5.480 -11.058 1.00 0.00 H new ATOM 1490 N PRO B 482 -14.738 -7.325 -8.895 1.00 0.00 N ATOM 1491 CA PRO B 482 -15.954 -8.118 -8.832 1.00 0.00 C ATOM 1492 C PRO B 482 -17.008 -7.582 -9.803 1.00 0.00 C ATOM 1493 O PRO B 482 -16.768 -7.511 -11.008 1.00 0.00 O ATOM 1494 CB PRO B 482 -16.395 -8.048 -7.379 1.00 0.00 C ATOM 1495 CG PRO B 482 -15.677 -6.849 -6.783 1.00 0.00 C ATOM 1496 CD PRO B 482 -14.576 -6.438 -7.747 1.00 0.00 C ATOM 0 HA PRO B 482 -15.798 -9.153 -9.137 1.00 0.00 H new ATOM 0 HB2 PRO B 482 -17.476 -7.933 -7.304 1.00 0.00 H new ATOM 0 HB3 PRO B 482 -16.135 -8.963 -6.847 1.00 0.00 H new ATOM 0 HG2 PRO B 482 -16.374 -6.026 -6.626 1.00 0.00 H new ATOM 0 HG3 PRO B 482 -15.257 -7.101 -5.809 1.00 0.00 H new ATOM 0 HD2 PRO B 482 -14.674 -5.392 -8.038 1.00 0.00 H new ATOM 0 HD3 PRO B 482 -13.591 -6.552 -7.295 1.00 0.00 H new