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= -0.783 (180deg=-2.12!) USER MOD Single : B 413 LYS NZ :NH3+ -139:sc= -0.92 (180deg=-1.42) USER MOD Single : B 415 GLN : amide:sc= -1.59 K(o=-1.6,f=-0.33) USER MOD Single : B 417 GLN : amide:sc= -1.75! K(o=-1.7!,f=-0.96) USER MOD Single : B 418 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-0.41) USER MOD Single : B 420 TYR OH : rot 179:sc= 1.17 USER MOD Single : B 421 THR OG1 : rot 180:sc= 0 USER MOD Single : B 423 THR OG1 : rot 51:sc= 1.04 USER MOD Single : B 425 THR OG1 : rot -21:sc= 0.645 USER MOD Single : B 429 GLN : amide:sc= 0.153 X(o=0.15,f=-0.0077) USER MOD Single : B 431 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 453 MET CE :methyl 146:sc= -2.99 (180deg=-4.65!) USER MOD Single : B 456 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 458 SER OG : rot 180:sc= 0 USER MOD Single : B 461 ASN : amide:sc= -0.774 K(o=-0.77,f=0.0091) USER MOD Single : B 462 GLN : amide:sc= -0.238 X(o=-0.24,f=0) USER MOD Single : B 463 HIS : no HD1:sc= -3.91! C(o=-3.9!,f=-1.8!) USER MOD Single : B 464 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 465 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.162) USER MOD Single : B 468 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 469 CYS SG : rot 100:sc= -4.33! USER MOD Single : B 476 ASN : amide:sc= -1.14 K(o=-1.1,f=-0.15) USER MOD Single : B 478 THR OG1 : rot -88:sc= -0.123 USER MOD ----------------------------------------------------------------- ATOM 67 N PRO A 59 2.087 -8.075 -9.166 1.00 0.00 N ATOM 68 CA PRO A 59 2.880 -9.228 -9.556 1.00 0.00 C ATOM 69 C PRO A 59 2.900 -9.390 -11.077 1.00 0.00 C ATOM 70 O PRO A 59 2.160 -8.712 -11.788 1.00 0.00 O ATOM 71 CB PRO A 59 2.239 -10.407 -8.842 1.00 0.00 C ATOM 72 CG PRO A 59 0.842 -9.949 -8.454 1.00 0.00 C ATOM 73 CD PRO A 59 0.786 -8.438 -8.612 1.00 0.00 C ATOM 0 HA PRO A 59 3.929 -9.132 -9.275 1.00 0.00 H new ATOM 0 HB2 PRO A 59 2.197 -11.281 -9.492 1.00 0.00 H new ATOM 0 HB3 PRO A 59 2.816 -10.691 -7.962 1.00 0.00 H new ATOM 0 HG2 PRO A 59 0.094 -10.427 -9.087 1.00 0.00 H new ATOM 0 HG3 PRO A 59 0.619 -10.234 -7.426 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.025 -8.139 -9.276 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.612 -7.946 -7.655 1.00 0.00 H new ATOM 81 N PRO A 60 3.779 -10.318 -11.545 1.00 0.00 N ATOM 82 CA PRO A 60 3.905 -10.578 -12.969 1.00 0.00 C ATOM 83 C PRO A 60 2.717 -11.393 -13.484 1.00 0.00 C ATOM 84 O PRO A 60 1.997 -12.011 -12.702 1.00 0.00 O ATOM 85 CB PRO A 60 5.232 -11.302 -13.120 1.00 0.00 C ATOM 86 CG PRO A 60 5.579 -11.831 -11.738 1.00 0.00 C ATOM 87 CD PRO A 60 4.672 -11.139 -10.734 1.00 0.00 C ATOM 0 HA PRO A 60 3.894 -9.666 -13.566 1.00 0.00 H new ATOM 0 HB2 PRO A 60 5.153 -12.116 -13.841 1.00 0.00 H new ATOM 0 HB3 PRO A 60 6.006 -10.627 -13.485 1.00 0.00 H new ATOM 0 HG2 PRO A 60 5.440 -12.911 -11.697 1.00 0.00 H new ATOM 0 HG3 PRO A 60 6.626 -11.635 -11.506 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.114 -11.863 -10.140 1.00 0.00 H new ATOM 0 HD3 PRO A 60 5.246 -10.529 -10.036 1.00 0.00 H new ATOM 95 N LEU A 61 2.549 -11.368 -14.798 1.00 0.00 N ATOM 96 CA LEU A 61 1.460 -12.097 -15.428 1.00 0.00 C ATOM 97 C LEU A 61 1.589 -13.585 -15.095 1.00 0.00 C ATOM 98 O LEU A 61 2.662 -14.167 -15.246 1.00 0.00 O ATOM 99 CB LEU A 61 1.417 -11.803 -16.929 1.00 0.00 C ATOM 100 CG LEU A 61 0.097 -11.244 -17.464 1.00 0.00 C ATOM 101 CD1 LEU A 61 -1.046 -12.238 -17.252 1.00 0.00 C ATOM 102 CD2 LEU A 61 -0.209 -9.877 -16.849 1.00 0.00 C ATOM 0 H LEU A 61 3.148 -10.855 -15.444 1.00 0.00 H new ATOM 0 HA LEU A 61 0.500 -11.764 -15.034 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.211 -11.094 -17.163 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.643 -12.724 -17.466 1.00 0.00 H new ATOM 0 HG LEU A 61 0.199 -11.097 -18.539 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.972 -11.816 -17.641 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.822 -13.167 -17.776 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.159 -12.441 -16.187 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.152 -9.502 -17.246 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.284 -9.974 -15.766 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.591 -9.179 -17.096 1.00 0.00 H new ATOM 114 N SER A 62 0.481 -14.157 -14.650 1.00 0.00 N ATOM 115 CA SER A 62 0.456 -15.566 -14.296 1.00 0.00 C ATOM 116 C SER A 62 0.053 -16.404 -15.511 1.00 0.00 C ATOM 117 O SER A 62 -0.558 -15.892 -16.447 1.00 0.00 O ATOM 118 CB SER A 62 -0.503 -15.825 -13.132 1.00 0.00 C ATOM 119 OG SER A 62 -1.865 -15.816 -13.550 1.00 0.00 O ATOM 0 H SER A 62 -0.407 -13.670 -14.526 1.00 0.00 H new ATOM 0 HA SER A 62 1.457 -15.856 -13.978 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.270 -16.788 -12.678 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.354 -15.066 -12.364 1.00 0.00 H new ATOM 0 HG SER A 62 -2.445 -15.987 -12.779 1.00 0.00 H new ATOM 125 N PRO A 63 0.423 -17.712 -15.455 1.00 0.00 N ATOM 126 CA PRO A 63 0.106 -18.626 -16.540 1.00 0.00 C ATOM 127 C PRO A 63 -1.375 -19.007 -16.521 1.00 0.00 C ATOM 128 O PRO A 63 -2.104 -18.635 -15.602 1.00 0.00 O ATOM 129 CB PRO A 63 1.029 -19.816 -16.333 1.00 0.00 C ATOM 130 CG PRO A 63 1.495 -19.736 -14.888 1.00 0.00 C ATOM 131 CD PRO A 63 1.148 -18.352 -14.362 1.00 0.00 C ATOM 0 HA PRO A 63 0.263 -18.183 -17.523 1.00 0.00 H new ATOM 0 HB2 PRO A 63 0.506 -20.753 -16.523 1.00 0.00 H new ATOM 0 HB3 PRO A 63 1.875 -19.778 -17.019 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.010 -20.505 -14.287 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.569 -19.911 -14.823 1.00 0.00 H new ATOM 0 HD2 PRO A 63 0.536 -18.412 -13.462 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.045 -17.791 -14.100 1.00 0.00 H new ATOM 279 N LEU B 406 -20.024 -24.786 4.077 1.00 0.00 N ATOM 280 CA LEU B 406 -18.772 -24.116 3.771 1.00 0.00 C ATOM 281 C LEU B 406 -17.897 -25.043 2.925 1.00 0.00 C ATOM 282 O LEU B 406 -18.099 -26.257 2.917 1.00 0.00 O ATOM 283 CB LEU B 406 -18.094 -23.633 5.055 1.00 0.00 C ATOM 284 CG LEU B 406 -16.829 -24.387 5.470 1.00 0.00 C ATOM 285 CD1 LEU B 406 -15.958 -23.531 6.391 1.00 0.00 C ATOM 286 CD2 LEU B 406 -17.178 -25.736 6.102 1.00 0.00 C ATOM 0 HA LEU B 406 -18.955 -23.220 3.178 1.00 0.00 H new ATOM 0 HB2 LEU B 406 -17.842 -22.579 4.935 1.00 0.00 H new ATOM 0 HB3 LEU B 406 -18.815 -23.698 5.870 1.00 0.00 H new ATOM 0 HG LEU B 406 -16.244 -24.593 4.574 1.00 0.00 H new ATOM 0 HD11 LEU B 406 -15.065 -24.090 6.671 1.00 0.00 H new ATOM 0 HD12 LEU B 406 -15.666 -22.619 5.871 1.00 0.00 H new ATOM 0 HD13 LEU B 406 -16.521 -23.273 7.288 1.00 0.00 H new ATOM 0 HD21 LEU B 406 -16.261 -26.252 6.388 1.00 0.00 H new ATOM 0 HD22 LEU B 406 -17.795 -25.575 6.986 1.00 0.00 H new ATOM 0 HD23 LEU B 406 -17.727 -26.344 5.383 1.00 0.00 H new ATOM 298 N PRO B 407 -16.918 -24.421 2.215 1.00 0.00 N ATOM 299 CA PRO B 407 -16.011 -25.177 1.368 1.00 0.00 C ATOM 300 C PRO B 407 -14.974 -25.927 2.207 1.00 0.00 C ATOM 301 O PRO B 407 -14.386 -25.359 3.126 1.00 0.00 O ATOM 302 CB PRO B 407 -15.391 -24.147 0.438 1.00 0.00 C ATOM 303 CG PRO B 407 -15.618 -22.797 1.100 1.00 0.00 C ATOM 304 CD PRO B 407 -16.649 -22.986 2.201 1.00 0.00 C ATOM 0 HA PRO B 407 -16.518 -25.955 0.797 1.00 0.00 H new ATOM 0 HB2 PRO B 407 -14.327 -24.339 0.297 1.00 0.00 H new ATOM 0 HB3 PRO B 407 -15.855 -24.182 -0.548 1.00 0.00 H new ATOM 0 HG2 PRO B 407 -14.685 -22.412 1.512 1.00 0.00 H new ATOM 0 HG3 PRO B 407 -15.969 -22.068 0.370 1.00 0.00 H new ATOM 0 HD2 PRO B 407 -16.267 -22.645 3.163 1.00 0.00 H new ATOM 0 HD3 PRO B 407 -17.555 -22.415 1.997 1.00 0.00 H new ATOM 312 N PRO B 408 -14.776 -27.224 1.850 1.00 0.00 N ATOM 313 CA PRO B 408 -13.820 -28.058 2.559 1.00 0.00 C ATOM 314 C PRO B 408 -12.385 -27.696 2.172 1.00 0.00 C ATOM 315 O PRO B 408 -12.103 -27.421 1.006 1.00 0.00 O ATOM 316 CB PRO B 408 -14.193 -29.484 2.191 1.00 0.00 C ATOM 317 CG PRO B 408 -15.041 -29.382 0.933 1.00 0.00 C ATOM 318 CD PRO B 408 -15.455 -27.929 0.767 1.00 0.00 C ATOM 0 HA PRO B 408 -13.858 -27.917 3.639 1.00 0.00 H new ATOM 0 HB2 PRO B 408 -13.303 -30.087 2.014 1.00 0.00 H new ATOM 0 HB3 PRO B 408 -14.747 -29.963 2.998 1.00 0.00 H new ATOM 0 HG2 PRO B 408 -14.477 -29.720 0.064 1.00 0.00 H new ATOM 0 HG3 PRO B 408 -15.919 -30.023 1.012 1.00 0.00 H new ATOM 0 HD2 PRO B 408 -15.156 -27.541 -0.207 1.00 0.00 H new ATOM 0 HD3 PRO B 408 -16.537 -27.815 0.837 1.00 0.00 H new ATOM 326 N GLY B 409 -11.515 -27.709 3.171 1.00 0.00 N ATOM 327 CA GLY B 409 -10.116 -27.386 2.950 1.00 0.00 C ATOM 328 C GLY B 409 -9.860 -25.891 3.151 1.00 0.00 C ATOM 329 O GLY B 409 -8.731 -25.481 3.417 1.00 0.00 O ATOM 0 H GLY B 409 -11.752 -27.938 4.136 1.00 0.00 H new ATOM 0 HA2 GLY B 409 -9.494 -27.961 3.636 1.00 0.00 H new ATOM 0 HA3 GLY B 409 -9.828 -27.675 1.939 1.00 0.00 H new ATOM 333 N PHE B 410 -10.927 -25.117 3.015 1.00 0.00 N ATOM 334 CA PHE B 410 -10.832 -23.676 3.178 1.00 0.00 C ATOM 335 C PHE B 410 -9.828 -23.314 4.275 1.00 0.00 C ATOM 336 O PHE B 410 -9.614 -24.089 5.206 1.00 0.00 O ATOM 337 CB PHE B 410 -12.219 -23.180 3.589 1.00 0.00 C ATOM 338 CG PHE B 410 -12.213 -21.813 4.276 1.00 0.00 C ATOM 339 CD1 PHE B 410 -12.050 -20.682 3.539 1.00 0.00 C ATOM 340 CD2 PHE B 410 -12.372 -21.730 5.624 1.00 0.00 C ATOM 341 CE1 PHE B 410 -12.044 -19.413 4.178 1.00 0.00 C ATOM 342 CE2 PHE B 410 -12.367 -20.461 6.263 1.00 0.00 C ATOM 343 CZ PHE B 410 -12.203 -19.330 5.526 1.00 0.00 C ATOM 0 H PHE B 410 -11.862 -25.461 2.794 1.00 0.00 H new ATOM 0 HA PHE B 410 -10.495 -23.217 2.248 1.00 0.00 H new ATOM 0 HB2 PHE B 410 -12.852 -23.127 2.703 1.00 0.00 H new ATOM 0 HB3 PHE B 410 -12.671 -23.910 4.260 1.00 0.00 H new ATOM 0 HD1 PHE B 410 -11.925 -20.748 2.468 1.00 0.00 H new ATOM 0 HD2 PHE B 410 -12.502 -22.629 6.209 1.00 0.00 H new ATOM 0 HE1 PHE B 410 -11.913 -18.514 3.593 1.00 0.00 H new ATOM 0 HE2 PHE B 410 -12.493 -20.395 7.334 1.00 0.00 H new ATOM 0 HZ PHE B 410 -12.199 -18.365 6.012 1.00 0.00 H new ATOM 353 N MET B 411 -9.241 -22.135 4.129 1.00 0.00 N ATOM 354 CA MET B 411 -8.266 -21.660 5.097 1.00 0.00 C ATOM 355 C MET B 411 -8.804 -20.454 5.869 1.00 0.00 C ATOM 356 O MET B 411 -9.080 -20.551 7.064 1.00 0.00 O ATOM 357 CB MET B 411 -6.976 -21.269 4.372 1.00 0.00 C ATOM 358 CG MET B 411 -6.389 -22.462 3.615 1.00 0.00 C ATOM 359 SD MET B 411 -4.679 -22.147 3.211 1.00 0.00 S ATOM 360 CE MET B 411 -4.680 -22.602 1.485 1.00 0.00 C ATOM 0 H MET B 411 -9.421 -21.495 3.356 1.00 0.00 H new ATOM 0 HA MET B 411 -8.065 -22.462 5.807 1.00 0.00 H new ATOM 0 HB2 MET B 411 -7.179 -20.456 3.675 1.00 0.00 H new ATOM 0 HB3 MET B 411 -6.248 -20.897 5.093 1.00 0.00 H new ATOM 0 HG2 MET B 411 -6.468 -23.363 4.223 1.00 0.00 H new ATOM 0 HG3 MET B 411 -6.959 -22.641 2.704 1.00 0.00 H new ATOM 0 HE1 MET B 411 -4.082 -21.887 0.920 1.00 0.00 H new ATOM 0 HE2 MET B 411 -4.256 -23.600 1.371 1.00 0.00 H new ATOM 0 HE3 MET B 411 -5.703 -22.598 1.108 1.00 0.00 H new ATOM 370 N PHE B 412 -8.936 -19.345 5.156 1.00 0.00 N ATOM 371 CA PHE B 412 -9.434 -18.121 5.760 1.00 0.00 C ATOM 372 C PHE B 412 -9.950 -17.154 4.693 1.00 0.00 C ATOM 373 O PHE B 412 -9.813 -17.411 3.498 1.00 0.00 O ATOM 374 CB PHE B 412 -8.258 -17.474 6.493 1.00 0.00 C ATOM 375 CG PHE B 412 -6.954 -17.466 5.693 1.00 0.00 C ATOM 376 CD1 PHE B 412 -6.704 -16.464 4.808 1.00 0.00 C ATOM 377 CD2 PHE B 412 -6.044 -18.462 5.866 1.00 0.00 C ATOM 378 CE1 PHE B 412 -5.494 -16.457 4.066 1.00 0.00 C ATOM 379 CE2 PHE B 412 -4.834 -18.455 5.124 1.00 0.00 C ATOM 380 CZ PHE B 412 -4.584 -17.453 4.239 1.00 0.00 C ATOM 0 H PHE B 412 -8.707 -19.269 4.165 1.00 0.00 H new ATOM 0 HA PHE B 412 -10.259 -18.348 6.435 1.00 0.00 H new ATOM 0 HB2 PHE B 412 -8.522 -16.448 6.748 1.00 0.00 H new ATOM 0 HB3 PHE B 412 -8.093 -18.003 7.432 1.00 0.00 H new ATOM 0 HD1 PHE B 412 -7.427 -15.673 4.670 1.00 0.00 H new ATOM 0 HD2 PHE B 412 -6.242 -19.258 6.568 1.00 0.00 H new ATOM 0 HE1 PHE B 412 -5.296 -15.661 3.364 1.00 0.00 H new ATOM 0 HE2 PHE B 412 -4.111 -19.246 5.262 1.00 0.00 H new ATOM 0 HZ PHE B 412 -3.664 -17.448 3.674 1.00 0.00 H new ATOM 390 N LYS B 413 -10.533 -16.061 5.163 1.00 0.00 N ATOM 391 CA LYS B 413 -11.070 -15.054 4.264 1.00 0.00 C ATOM 392 C LYS B 413 -10.042 -13.935 4.086 1.00 0.00 C ATOM 393 O LYS B 413 -9.441 -13.479 5.057 1.00 0.00 O ATOM 394 CB LYS B 413 -12.432 -14.564 4.761 1.00 0.00 C ATOM 395 CG LYS B 413 -13.479 -14.631 3.647 1.00 0.00 C ATOM 396 CD LYS B 413 -13.200 -13.582 2.569 1.00 0.00 C ATOM 397 CE LYS B 413 -12.833 -12.236 3.196 1.00 0.00 C ATOM 398 NZ LYS B 413 -13.831 -11.851 4.219 1.00 0.00 N ATOM 0 H LYS B 413 -10.645 -15.851 6.155 1.00 0.00 H new ATOM 0 HA LYS B 413 -11.251 -15.481 3.278 1.00 0.00 H new ATOM 0 HB2 LYS B 413 -12.755 -15.172 5.606 1.00 0.00 H new ATOM 0 HB3 LYS B 413 -12.344 -13.539 5.121 1.00 0.00 H new ATOM 0 HG2 LYS B 413 -13.477 -15.626 3.201 1.00 0.00 H new ATOM 0 HG3 LYS B 413 -14.472 -14.471 4.066 1.00 0.00 H new ATOM 0 HD2 LYS B 413 -12.387 -13.922 1.927 1.00 0.00 H new ATOM 0 HD3 LYS B 413 -14.079 -13.464 1.935 1.00 0.00 H new ATOM 0 HE2 LYS B 413 -11.844 -12.297 3.650 1.00 0.00 H new ATOM 0 HE3 LYS B 413 -12.782 -11.470 2.423 1.00 0.00 H new ATOM 0 HZ1 LYS B 413 -14.033 -10.834 4.141 1.00 0.00 H new ATOM 0 HZ2 LYS B 413 -14.707 -12.391 4.070 1.00 0.00 H new ATOM 0 HZ3 LYS B 413 -13.455 -12.057 5.166 1.00 0.00 H new ATOM 412 N VAL B 414 -9.873 -13.524 2.837 1.00 0.00 N ATOM 413 CA VAL B 414 -8.927 -12.468 2.519 1.00 0.00 C ATOM 414 C VAL B 414 -9.668 -11.312 1.845 1.00 0.00 C ATOM 415 O VAL B 414 -10.821 -11.459 1.443 1.00 0.00 O ATOM 416 CB VAL B 414 -7.787 -13.027 1.664 1.00 0.00 C ATOM 417 CG1 VAL B 414 -7.265 -14.345 2.240 1.00 0.00 C ATOM 418 CG2 VAL B 414 -8.227 -13.200 0.209 1.00 0.00 C ATOM 0 H VAL B 414 -10.375 -13.903 2.034 1.00 0.00 H new ATOM 0 HA VAL B 414 -8.472 -12.076 3.428 1.00 0.00 H new ATOM 0 HB VAL B 414 -6.969 -12.306 1.683 1.00 0.00 H new ATOM 0 HG11 VAL B 414 -6.456 -14.721 1.614 1.00 0.00 H new ATOM 0 HG12 VAL B 414 -6.894 -14.178 3.251 1.00 0.00 H new ATOM 0 HG13 VAL B 414 -8.073 -15.076 2.266 1.00 0.00 H new ATOM 0 HG21 VAL B 414 -7.399 -13.598 -0.377 1.00 0.00 H new ATOM 0 HG22 VAL B 414 -9.069 -13.891 0.163 1.00 0.00 H new ATOM 0 HG23 VAL B 414 -8.527 -12.234 -0.198 1.00 0.00 H new ATOM 428 N GLN B 415 -8.975 -10.187 1.742 1.00 0.00 N ATOM 429 CA GLN B 415 -9.553 -9.006 1.124 1.00 0.00 C ATOM 430 C GLN B 415 -8.549 -8.364 0.165 1.00 0.00 C ATOM 431 O GLN B 415 -7.375 -8.211 0.500 1.00 0.00 O ATOM 432 CB GLN B 415 -10.018 -8.005 2.183 1.00 0.00 C ATOM 433 CG GLN B 415 -10.217 -6.615 1.574 1.00 0.00 C ATOM 434 CD GLN B 415 -11.581 -6.039 1.956 1.00 0.00 C ATOM 435 OE1 GLN B 415 -11.795 -5.560 3.058 1.00 0.00 O ATOM 436 NE2 GLN B 415 -12.490 -6.110 0.988 1.00 0.00 N ATOM 0 H GLN B 415 -8.019 -10.069 2.076 1.00 0.00 H new ATOM 0 HA GLN B 415 -10.429 -9.311 0.551 1.00 0.00 H new ATOM 0 HB2 GLN B 415 -10.952 -8.348 2.628 1.00 0.00 H new ATOM 0 HB3 GLN B 415 -9.283 -7.952 2.986 1.00 0.00 H new ATOM 0 HG2 GLN B 415 -9.427 -5.947 1.918 1.00 0.00 H new ATOM 0 HG3 GLN B 415 -10.134 -6.674 0.489 1.00 0.00 H new ATOM 0 HE21 GLN B 415 -12.246 -6.523 0.088 1.00 0.00 H new ATOM 0 HE22 GLN B 415 -13.432 -5.751 1.145 1.00 0.00 H new ATOM 445 N ALA B 416 -9.047 -8.004 -1.009 1.00 0.00 N ATOM 446 CA ALA B 416 -8.207 -7.381 -2.018 1.00 0.00 C ATOM 447 C ALA B 416 -8.006 -5.905 -1.669 1.00 0.00 C ATOM 448 O ALA B 416 -8.831 -5.309 -0.978 1.00 0.00 O ATOM 449 CB ALA B 416 -8.841 -7.573 -3.398 1.00 0.00 C ATOM 0 H ALA B 416 -10.021 -8.132 -1.284 1.00 0.00 H new ATOM 0 HA ALA B 416 -7.223 -7.850 -2.042 1.00 0.00 H new ATOM 0 HB1 ALA B 416 -8.212 -7.106 -4.156 1.00 0.00 H new ATOM 0 HB2 ALA B 416 -8.935 -8.638 -3.610 1.00 0.00 H new ATOM 0 HB3 ALA B 416 -9.829 -7.112 -3.412 1.00 0.00 H new ATOM 455 N GLN B 417 -6.906 -5.358 -2.163 1.00 0.00 N ATOM 456 CA GLN B 417 -6.586 -3.963 -1.912 1.00 0.00 C ATOM 457 C GLN B 417 -6.443 -3.205 -3.234 1.00 0.00 C ATOM 458 O GLN B 417 -6.178 -2.004 -3.239 1.00 0.00 O ATOM 459 CB GLN B 417 -5.317 -3.835 -1.067 1.00 0.00 C ATOM 460 CG GLN B 417 -5.208 -4.985 -0.064 1.00 0.00 C ATOM 461 CD GLN B 417 -4.020 -4.780 0.878 1.00 0.00 C ATOM 462 OE1 GLN B 417 -3.957 -3.831 1.642 1.00 0.00 O ATOM 463 NE2 GLN B 417 -3.084 -5.721 0.781 1.00 0.00 N ATOM 0 H GLN B 417 -6.225 -5.855 -2.736 1.00 0.00 H new ATOM 0 HA GLN B 417 -7.406 -3.518 -1.347 1.00 0.00 H new ATOM 0 HB2 GLN B 417 -4.442 -3.830 -1.717 1.00 0.00 H new ATOM 0 HB3 GLN B 417 -5.324 -2.883 -0.535 1.00 0.00 H new ATOM 0 HG2 GLN B 417 -6.128 -5.055 0.516 1.00 0.00 H new ATOM 0 HG3 GLN B 417 -5.095 -5.929 -0.598 1.00 0.00 H new ATOM 0 HE21 GLN B 417 -3.200 -6.489 0.120 1.00 0.00 H new ATOM 0 HE22 GLN B 417 -2.251 -5.674 1.368 1.00 0.00 H new ATOM 472 N HIS B 418 -6.626 -3.938 -4.322 1.00 0.00 N ATOM 473 CA HIS B 418 -6.521 -3.350 -5.647 1.00 0.00 C ATOM 474 C HIS B 418 -7.538 -4.007 -6.582 1.00 0.00 C ATOM 475 O HIS B 418 -8.146 -5.017 -6.231 1.00 0.00 O ATOM 476 CB HIS B 418 -5.087 -3.442 -6.171 1.00 0.00 C ATOM 477 CG HIS B 418 -4.086 -2.648 -5.366 1.00 0.00 C ATOM 478 ND1 HIS B 418 -3.619 -1.408 -5.765 1.00 0.00 N ATOM 479 CD2 HIS B 418 -3.470 -2.929 -4.182 1.00 0.00 C ATOM 480 CE1 HIS B 418 -2.760 -0.972 -4.855 1.00 0.00 C ATOM 481 NE2 HIS B 418 -2.669 -1.916 -3.875 1.00 0.00 N ATOM 0 H HIS B 418 -6.846 -4.934 -4.314 1.00 0.00 H new ATOM 0 HA HIS B 418 -6.759 -2.288 -5.597 1.00 0.00 H new ATOM 0 HB2 HIS B 418 -4.781 -4.488 -6.181 1.00 0.00 H new ATOM 0 HB3 HIS B 418 -5.065 -3.094 -7.204 1.00 0.00 H new ATOM 0 HD2 HIS B 418 -3.610 -3.824 -3.594 1.00 0.00 H new ATOM 0 HE1 HIS B 418 -2.226 -0.034 -4.884 1.00 0.00 H new ATOM 0 HE2 HIS B 418 -2.082 -1.854 -3.043 1.00 0.00 H new ATOM 489 N ASP B 419 -7.690 -3.408 -7.754 1.00 0.00 N ATOM 490 CA ASP B 419 -8.622 -3.923 -8.742 1.00 0.00 C ATOM 491 C ASP B 419 -7.839 -4.548 -9.898 1.00 0.00 C ATOM 492 O ASP B 419 -7.269 -3.836 -10.724 1.00 0.00 O ATOM 493 CB ASP B 419 -9.494 -2.803 -9.313 1.00 0.00 C ATOM 494 CG ASP B 419 -8.737 -1.733 -10.103 1.00 0.00 C ATOM 495 OD1 ASP B 419 -7.524 -1.587 -9.842 1.00 0.00 O ATOM 496 OD2 ASP B 419 -9.390 -1.086 -10.951 1.00 0.00 O ATOM 0 H ASP B 419 -7.183 -2.571 -8.041 1.00 0.00 H new ATOM 0 HA ASP B 419 -9.258 -4.661 -8.253 1.00 0.00 H new ATOM 0 HB2 ASP B 419 -10.249 -3.246 -9.962 1.00 0.00 H new ATOM 0 HB3 ASP B 419 -10.023 -2.320 -8.491 1.00 0.00 H new ATOM 501 N TYR B 420 -7.836 -5.873 -9.921 1.00 0.00 N ATOM 502 CA TYR B 420 -7.131 -6.602 -10.961 1.00 0.00 C ATOM 503 C TYR B 420 -8.107 -7.399 -11.829 1.00 0.00 C ATOM 504 O TYR B 420 -8.711 -8.365 -11.363 1.00 0.00 O ATOM 505 CB TYR B 420 -6.199 -7.575 -10.237 1.00 0.00 C ATOM 506 CG TYR B 420 -5.958 -8.884 -10.992 1.00 0.00 C ATOM 507 CD1 TYR B 420 -5.180 -8.890 -12.132 1.00 0.00 C ATOM 508 CD2 TYR B 420 -6.519 -10.059 -10.533 1.00 0.00 C ATOM 509 CE1 TYR B 420 -4.953 -10.122 -12.842 1.00 0.00 C ATOM 510 CE2 TYR B 420 -6.292 -11.291 -11.243 1.00 0.00 C ATOM 511 CZ TYR B 420 -5.520 -11.262 -12.363 1.00 0.00 C ATOM 512 OH TYR B 420 -5.306 -12.425 -13.034 1.00 0.00 O ATOM 0 H TYR B 420 -8.311 -6.460 -9.236 1.00 0.00 H new ATOM 0 HA TYR B 420 -6.592 -5.915 -11.613 1.00 0.00 H new ATOM 0 HB2 TYR B 420 -5.241 -7.085 -10.066 1.00 0.00 H new ATOM 0 HB3 TYR B 420 -6.619 -7.804 -9.258 1.00 0.00 H new ATOM 0 HD1 TYR B 420 -4.742 -7.971 -12.491 1.00 0.00 H new ATOM 0 HD2 TYR B 420 -7.128 -10.054 -9.641 1.00 0.00 H new ATOM 0 HE1 TYR B 420 -4.346 -10.141 -13.735 1.00 0.00 H new ATOM 0 HE2 TYR B 420 -6.725 -12.217 -10.894 1.00 0.00 H new ATOM 0 HH TYR B 420 -5.758 -13.159 -12.568 1.00 0.00 H new ATOM 522 N THR B 421 -8.231 -6.966 -13.075 1.00 0.00 N ATOM 523 CA THR B 421 -9.123 -7.628 -14.012 1.00 0.00 C ATOM 524 C THR B 421 -8.483 -8.913 -14.540 1.00 0.00 C ATOM 525 O THR B 421 -7.480 -8.865 -15.251 1.00 0.00 O ATOM 526 CB THR B 421 -9.477 -6.628 -15.114 1.00 0.00 C ATOM 527 OG1 THR B 421 -10.544 -5.863 -14.559 1.00 0.00 O ATOM 528 CG2 THR B 421 -10.100 -7.302 -16.338 1.00 0.00 C ATOM 0 H THR B 421 -7.729 -6.165 -13.458 1.00 0.00 H new ATOM 0 HA THR B 421 -10.048 -7.939 -13.526 1.00 0.00 H new ATOM 0 HB THR B 421 -8.580 -6.087 -15.415 1.00 0.00 H new ATOM 0 HG1 THR B 421 -10.834 -5.188 -15.208 1.00 0.00 H new ATOM 0 HG21 THR B 421 -10.332 -6.548 -17.090 1.00 0.00 H new ATOM 0 HG22 THR B 421 -9.397 -8.024 -16.753 1.00 0.00 H new ATOM 0 HG23 THR B 421 -11.016 -7.815 -16.044 1.00 0.00 H new ATOM 536 N ALA B 422 -9.088 -10.033 -14.173 1.00 0.00 N ATOM 537 CA ALA B 422 -8.590 -11.329 -14.601 1.00 0.00 C ATOM 538 C ALA B 422 -9.595 -11.965 -15.563 1.00 0.00 C ATOM 539 O ALA B 422 -10.730 -12.247 -15.184 1.00 0.00 O ATOM 540 CB ALA B 422 -8.323 -12.204 -13.375 1.00 0.00 C ATOM 0 H ALA B 422 -9.919 -10.070 -13.583 1.00 0.00 H new ATOM 0 HA ALA B 422 -7.646 -11.220 -15.135 1.00 0.00 H new ATOM 0 HB1 ALA B 422 -7.949 -13.176 -13.696 1.00 0.00 H new ATOM 0 HB2 ALA B 422 -7.581 -11.722 -12.739 1.00 0.00 H new ATOM 0 HB3 ALA B 422 -9.249 -12.338 -12.815 1.00 0.00 H new ATOM 546 N THR B 423 -9.141 -12.171 -16.791 1.00 0.00 N ATOM 547 CA THR B 423 -9.987 -12.768 -17.811 1.00 0.00 C ATOM 548 C THR B 423 -9.381 -14.083 -18.304 1.00 0.00 C ATOM 549 O THR B 423 -8.546 -14.087 -19.207 1.00 0.00 O ATOM 550 CB THR B 423 -10.186 -11.736 -18.923 1.00 0.00 C ATOM 551 OG1 THR B 423 -8.865 -11.461 -19.382 1.00 0.00 O ATOM 552 CG2 THR B 423 -10.683 -10.390 -18.391 1.00 0.00 C ATOM 0 H THR B 423 -8.199 -11.935 -17.102 1.00 0.00 H new ATOM 0 HA THR B 423 -10.967 -13.028 -17.410 1.00 0.00 H new ATOM 0 HB THR B 423 -10.897 -12.122 -19.653 1.00 0.00 H new ATOM 0 HG1 THR B 423 -8.404 -12.304 -19.577 1.00 0.00 H new ATOM 0 HG21 THR B 423 -10.808 -9.694 -19.221 1.00 0.00 H new ATOM 0 HG22 THR B 423 -11.640 -10.529 -17.887 1.00 0.00 H new ATOM 0 HG23 THR B 423 -9.956 -9.987 -17.686 1.00 0.00 H new ATOM 560 N ASP B 424 -9.825 -15.169 -17.688 1.00 0.00 N ATOM 561 CA ASP B 424 -9.336 -16.488 -18.052 1.00 0.00 C ATOM 562 C ASP B 424 -10.494 -17.488 -18.005 1.00 0.00 C ATOM 563 O ASP B 424 -11.641 -17.103 -17.784 1.00 0.00 O ATOM 564 CB ASP B 424 -8.260 -16.966 -17.075 1.00 0.00 C ATOM 565 CG ASP B 424 -7.183 -17.864 -17.688 1.00 0.00 C ATOM 566 OD1 ASP B 424 -6.809 -17.591 -18.848 1.00 0.00 O ATOM 567 OD2 ASP B 424 -6.759 -18.805 -16.981 1.00 0.00 O ATOM 0 H ASP B 424 -10.518 -15.162 -16.939 1.00 0.00 H new ATOM 0 HA ASP B 424 -8.911 -16.425 -19.054 1.00 0.00 H new ATOM 0 HB2 ASP B 424 -7.777 -16.094 -16.635 1.00 0.00 H new ATOM 0 HB3 ASP B 424 -8.743 -17.507 -16.262 1.00 0.00 H new ATOM 572 N THR B 425 -10.153 -18.750 -18.216 1.00 0.00 N ATOM 573 CA THR B 425 -11.150 -19.807 -18.201 1.00 0.00 C ATOM 574 C THR B 425 -11.348 -20.331 -16.777 1.00 0.00 C ATOM 575 O THR B 425 -12.208 -21.179 -16.538 1.00 0.00 O ATOM 576 CB THR B 425 -10.708 -20.888 -19.190 1.00 0.00 C ATOM 577 OG1 THR B 425 -11.753 -21.856 -19.136 1.00 0.00 O ATOM 578 CG2 THR B 425 -9.470 -21.649 -18.712 1.00 0.00 C ATOM 0 H THR B 425 -9.200 -19.065 -18.398 1.00 0.00 H new ATOM 0 HA THR B 425 -12.125 -19.436 -18.517 1.00 0.00 H new ATOM 0 HB THR B 425 -10.501 -20.431 -20.158 1.00 0.00 H new ATOM 0 HG1 THR B 425 -12.246 -21.758 -18.295 1.00 0.00 H new ATOM 0 HG21 THR B 425 -9.199 -22.404 -19.450 1.00 0.00 H new ATOM 0 HG22 THR B 425 -8.641 -20.952 -18.585 1.00 0.00 H new ATOM 0 HG23 THR B 425 -9.686 -22.134 -17.760 1.00 0.00 H new ATOM 586 N ASP B 426 -10.540 -19.806 -15.869 1.00 0.00 N ATOM 587 CA ASP B 426 -10.615 -20.211 -14.475 1.00 0.00 C ATOM 588 C ASP B 426 -9.860 -19.198 -13.612 1.00 0.00 C ATOM 589 O ASP B 426 -9.160 -19.575 -12.675 1.00 0.00 O ATOM 590 CB ASP B 426 -9.971 -21.583 -14.265 1.00 0.00 C ATOM 591 CG ASP B 426 -10.869 -22.777 -14.597 1.00 0.00 C ATOM 592 OD1 ASP B 426 -11.720 -23.101 -13.742 1.00 0.00 O ATOM 593 OD2 ASP B 426 -10.683 -23.337 -15.699 1.00 0.00 O ATOM 0 H ASP B 426 -9.829 -19.103 -16.071 1.00 0.00 H new ATOM 0 HA ASP B 426 -11.667 -20.259 -14.194 1.00 0.00 H new ATOM 0 HB2 ASP B 426 -9.071 -21.643 -14.878 1.00 0.00 H new ATOM 0 HB3 ASP B 426 -9.655 -21.664 -13.225 1.00 0.00 H new ATOM 598 N GLU B 427 -10.030 -17.930 -13.960 1.00 0.00 N ATOM 599 CA GLU B 427 -9.374 -16.860 -13.229 1.00 0.00 C ATOM 600 C GLU B 427 -10.297 -16.322 -12.134 1.00 0.00 C ATOM 601 O GLU B 427 -11.476 -16.669 -12.085 1.00 0.00 O ATOM 602 CB GLU B 427 -8.933 -15.740 -14.174 1.00 0.00 C ATOM 603 CG GLU B 427 -7.408 -15.636 -14.227 1.00 0.00 C ATOM 604 CD GLU B 427 -6.810 -15.604 -12.819 1.00 0.00 C ATOM 605 OE1 GLU B 427 -6.849 -14.512 -12.211 1.00 0.00 O ATOM 606 OE2 GLU B 427 -6.328 -16.671 -12.382 1.00 0.00 O ATOM 0 H GLU B 427 -10.612 -17.621 -14.738 1.00 0.00 H new ATOM 0 HA GLU B 427 -8.479 -17.265 -12.756 1.00 0.00 H new ATOM 0 HB2 GLU B 427 -9.323 -15.929 -15.174 1.00 0.00 H new ATOM 0 HB3 GLU B 427 -9.354 -14.791 -13.841 1.00 0.00 H new ATOM 0 HG2 GLU B 427 -7.001 -16.483 -14.779 1.00 0.00 H new ATOM 0 HG3 GLU B 427 -7.120 -14.735 -14.769 1.00 0.00 H new ATOM 613 N LEU B 428 -9.726 -15.483 -11.282 1.00 0.00 N ATOM 614 CA LEU B 428 -10.483 -14.894 -10.191 1.00 0.00 C ATOM 615 C LEU B 428 -10.320 -13.373 -10.225 1.00 0.00 C ATOM 616 O LEU B 428 -9.228 -12.857 -9.991 1.00 0.00 O ATOM 617 CB LEU B 428 -10.080 -15.526 -8.857 1.00 0.00 C ATOM 618 CG LEU B 428 -11.222 -15.819 -7.882 1.00 0.00 C ATOM 619 CD1 LEU B 428 -12.148 -14.609 -7.741 1.00 0.00 C ATOM 620 CD2 LEU B 428 -11.985 -17.080 -8.294 1.00 0.00 C ATOM 0 H LEU B 428 -8.748 -15.197 -11.325 1.00 0.00 H new ATOM 0 HA LEU B 428 -11.546 -15.104 -10.309 1.00 0.00 H new ATOM 0 HB2 LEU B 428 -9.556 -16.459 -9.063 1.00 0.00 H new ATOM 0 HB3 LEU B 428 -9.369 -14.864 -8.364 1.00 0.00 H new ATOM 0 HG LEU B 428 -10.791 -16.010 -6.899 1.00 0.00 H new ATOM 0 HD11 LEU B 428 -12.951 -14.845 -7.042 1.00 0.00 H new ATOM 0 HD12 LEU B 428 -11.580 -13.757 -7.367 1.00 0.00 H new ATOM 0 HD13 LEU B 428 -12.574 -14.362 -8.713 1.00 0.00 H new ATOM 0 HD21 LEU B 428 -12.791 -17.266 -7.584 1.00 0.00 H new ATOM 0 HD22 LEU B 428 -12.404 -16.943 -9.291 1.00 0.00 H new ATOM 0 HD23 LEU B 428 -11.304 -17.931 -8.301 1.00 0.00 H new ATOM 632 N GLN B 429 -11.421 -12.698 -10.518 1.00 0.00 N ATOM 633 CA GLN B 429 -11.414 -11.246 -10.585 1.00 0.00 C ATOM 634 C GLN B 429 -11.425 -10.650 -9.176 1.00 0.00 C ATOM 635 O GLN B 429 -12.111 -11.157 -8.289 1.00 0.00 O ATOM 636 CB GLN B 429 -12.596 -10.729 -11.408 1.00 0.00 C ATOM 637 CG GLN B 429 -12.261 -9.388 -12.065 1.00 0.00 C ATOM 638 CD GLN B 429 -12.967 -9.248 -13.415 1.00 0.00 C ATOM 639 OE1 GLN B 429 -13.813 -8.393 -13.616 1.00 0.00 O ATOM 640 NE2 GLN B 429 -12.573 -10.134 -14.326 1.00 0.00 N ATOM 0 H GLN B 429 -12.325 -13.129 -10.712 1.00 0.00 H new ATOM 0 HA GLN B 429 -10.499 -10.929 -11.086 1.00 0.00 H new ATOM 0 HB2 GLN B 429 -12.857 -11.459 -12.175 1.00 0.00 H new ATOM 0 HB3 GLN B 429 -13.469 -10.615 -10.766 1.00 0.00 H new ATOM 0 HG2 GLN B 429 -12.560 -8.572 -11.407 1.00 0.00 H new ATOM 0 HG3 GLN B 429 -11.183 -9.306 -12.204 1.00 0.00 H new ATOM 0 HE21 GLN B 429 -11.859 -10.824 -14.091 1.00 0.00 H new ATOM 0 HE22 GLN B 429 -12.985 -10.123 -15.259 1.00 0.00 H new ATOM 649 N LEU B 430 -10.657 -9.583 -9.013 1.00 0.00 N ATOM 650 CA LEU B 430 -10.570 -8.912 -7.727 1.00 0.00 C ATOM 651 C LEU B 430 -10.776 -7.409 -7.925 1.00 0.00 C ATOM 652 O LEU B 430 -10.358 -6.850 -8.938 1.00 0.00 O ATOM 653 CB LEU B 430 -9.257 -9.266 -7.026 1.00 0.00 C ATOM 654 CG LEU B 430 -9.216 -10.624 -6.323 1.00 0.00 C ATOM 655 CD1 LEU B 430 -10.266 -10.699 -5.213 1.00 0.00 C ATOM 656 CD2 LEU B 430 -9.364 -11.767 -7.330 1.00 0.00 C ATOM 0 H LEU B 430 -10.089 -9.166 -9.751 1.00 0.00 H new ATOM 0 HA LEU B 430 -11.362 -9.257 -7.063 1.00 0.00 H new ATOM 0 HB2 LEU B 430 -8.455 -9.237 -7.764 1.00 0.00 H new ATOM 0 HB3 LEU B 430 -9.041 -8.492 -6.290 1.00 0.00 H new ATOM 0 HG LEU B 430 -8.240 -10.735 -5.851 1.00 0.00 H new ATOM 0 HD11 LEU B 430 -10.215 -11.675 -4.730 1.00 0.00 H new ATOM 0 HD12 LEU B 430 -10.073 -9.919 -4.477 1.00 0.00 H new ATOM 0 HD13 LEU B 430 -11.258 -10.557 -5.641 1.00 0.00 H new ATOM 0 HD21 LEU B 430 -9.332 -12.721 -6.804 1.00 0.00 H new ATOM 0 HD22 LEU B 430 -10.317 -11.672 -7.851 1.00 0.00 H new ATOM 0 HD23 LEU B 430 -8.549 -11.723 -8.053 1.00 0.00 H new ATOM 668 N LYS B 431 -11.421 -6.798 -6.942 1.00 0.00 N ATOM 669 CA LYS B 431 -11.687 -5.371 -6.995 1.00 0.00 C ATOM 670 C LYS B 431 -11.228 -4.722 -5.688 1.00 0.00 C ATOM 671 O LYS B 431 -11.573 -5.191 -4.604 1.00 0.00 O ATOM 672 CB LYS B 431 -13.157 -5.111 -7.328 1.00 0.00 C ATOM 673 CG LYS B 431 -14.071 -5.627 -6.214 1.00 0.00 C ATOM 674 CD LYS B 431 -14.461 -7.087 -6.457 1.00 0.00 C ATOM 675 CE LYS B 431 -15.363 -7.216 -7.686 1.00 0.00 C ATOM 676 NZ LYS B 431 -16.771 -7.412 -7.276 1.00 0.00 N ATOM 0 H LYS B 431 -11.767 -7.266 -6.104 1.00 0.00 H new ATOM 0 HA LYS B 431 -11.116 -4.907 -7.799 1.00 0.00 H new ATOM 0 HB2 LYS B 431 -13.318 -4.042 -7.470 1.00 0.00 H new ATOM 0 HB3 LYS B 431 -13.412 -5.599 -8.268 1.00 0.00 H new ATOM 0 HG2 LYS B 431 -13.565 -5.537 -5.253 1.00 0.00 H new ATOM 0 HG3 LYS B 431 -14.969 -5.011 -6.161 1.00 0.00 H new ATOM 0 HD2 LYS B 431 -13.563 -7.689 -6.596 1.00 0.00 H new ATOM 0 HD3 LYS B 431 -14.976 -7.480 -5.581 1.00 0.00 H new ATOM 0 HE2 LYS B 431 -15.279 -6.321 -8.302 1.00 0.00 H new ATOM 0 HE3 LYS B 431 -15.036 -8.056 -8.298 1.00 0.00 H new ATOM 0 HZ1 LYS B 431 -17.370 -7.498 -8.122 1.00 0.00 H new ATOM 0 HZ2 LYS B 431 -16.849 -8.279 -6.707 1.00 0.00 H new ATOM 0 HZ3 LYS B 431 -17.085 -6.597 -6.711 1.00 0.00 H new ATOM 690 N ALA B 432 -10.459 -3.653 -5.832 1.00 0.00 N ATOM 691 CA ALA B 432 -9.950 -2.935 -4.676 1.00 0.00 C ATOM 692 C ALA B 432 -11.017 -2.923 -3.579 1.00 0.00 C ATOM 693 O ALA B 432 -11.940 -2.111 -3.615 1.00 0.00 O ATOM 694 CB ALA B 432 -9.529 -1.525 -5.095 1.00 0.00 C ATOM 0 H ALA B 432 -10.176 -3.266 -6.732 1.00 0.00 H new ATOM 0 HA ALA B 432 -9.068 -3.432 -4.273 1.00 0.00 H new ATOM 0 HB1 ALA B 432 -9.147 -0.986 -4.228 1.00 0.00 H new ATOM 0 HB2 ALA B 432 -8.750 -1.589 -5.855 1.00 0.00 H new ATOM 0 HB3 ALA B 432 -10.390 -0.994 -5.502 1.00 0.00 H new ATOM 700 N GLY B 433 -10.854 -3.833 -2.630 1.00 0.00 N ATOM 701 CA GLY B 433 -11.790 -3.937 -1.524 1.00 0.00 C ATOM 702 C GLY B 433 -12.772 -5.090 -1.743 1.00 0.00 C ATOM 703 O GLY B 433 -13.967 -4.949 -1.489 1.00 0.00 O ATOM 0 H GLY B 433 -10.087 -4.505 -2.604 1.00 0.00 H new ATOM 0 HA2 GLY B 433 -11.243 -4.092 -0.594 1.00 0.00 H new ATOM 0 HA3 GLY B 433 -12.340 -3.002 -1.419 1.00 0.00 H new ATOM 707 N ASP B 434 -12.231 -6.204 -2.213 1.00 0.00 N ATOM 708 CA ASP B 434 -13.045 -7.380 -2.471 1.00 0.00 C ATOM 709 C ASP B 434 -12.773 -8.430 -1.392 1.00 0.00 C ATOM 710 O ASP B 434 -11.832 -8.293 -0.611 1.00 0.00 O ATOM 711 CB ASP B 434 -12.704 -7.999 -3.828 1.00 0.00 C ATOM 712 CG ASP B 434 -13.411 -9.321 -4.132 1.00 0.00 C ATOM 713 OD1 ASP B 434 -14.660 -9.320 -4.092 1.00 0.00 O ATOM 714 OD2 ASP B 434 -12.685 -10.304 -4.396 1.00 0.00 O ATOM 0 H ASP B 434 -11.239 -6.317 -2.422 1.00 0.00 H new ATOM 0 HA ASP B 434 -14.091 -7.073 -2.466 1.00 0.00 H new ATOM 0 HB2 ASP B 434 -12.954 -7.282 -4.610 1.00 0.00 H new ATOM 0 HB3 ASP B 434 -11.627 -8.161 -3.876 1.00 0.00 H new ATOM 719 N VAL B 435 -13.613 -9.454 -1.383 1.00 0.00 N ATOM 720 CA VAL B 435 -13.475 -10.527 -0.412 1.00 0.00 C ATOM 721 C VAL B 435 -13.193 -11.840 -1.146 1.00 0.00 C ATOM 722 O VAL B 435 -13.934 -12.221 -2.050 1.00 0.00 O ATOM 723 CB VAL B 435 -14.719 -10.593 0.475 1.00 0.00 C ATOM 724 CG1 VAL B 435 -14.589 -9.651 1.673 1.00 0.00 C ATOM 725 CG2 VAL B 435 -15.983 -10.285 -0.330 1.00 0.00 C ATOM 0 H VAL B 435 -14.392 -9.564 -2.032 1.00 0.00 H new ATOM 0 HA VAL B 435 -12.630 -10.337 0.250 1.00 0.00 H new ATOM 0 HB VAL B 435 -14.804 -11.610 0.857 1.00 0.00 H new ATOM 0 HG11 VAL B 435 -15.487 -9.717 2.287 1.00 0.00 H new ATOM 0 HG12 VAL B 435 -13.721 -9.936 2.267 1.00 0.00 H new ATOM 0 HG13 VAL B 435 -14.466 -8.627 1.319 1.00 0.00 H new ATOM 0 HG21 VAL B 435 -16.853 -10.339 0.324 1.00 0.00 H new ATOM 0 HG22 VAL B 435 -15.909 -9.284 -0.754 1.00 0.00 H new ATOM 0 HG23 VAL B 435 -16.088 -11.013 -1.134 1.00 0.00 H new ATOM 735 N VAL B 436 -12.120 -12.495 -0.729 1.00 0.00 N ATOM 736 CA VAL B 436 -11.731 -13.758 -1.334 1.00 0.00 C ATOM 737 C VAL B 436 -11.316 -14.738 -0.236 1.00 0.00 C ATOM 738 O VAL B 436 -10.597 -14.369 0.691 1.00 0.00 O ATOM 739 CB VAL B 436 -10.633 -13.524 -2.374 1.00 0.00 C ATOM 740 CG1 VAL B 436 -9.897 -14.826 -2.695 1.00 0.00 C ATOM 741 CG2 VAL B 436 -11.206 -12.890 -3.643 1.00 0.00 C ATOM 0 H VAL B 436 -11.507 -12.175 0.021 1.00 0.00 H new ATOM 0 HA VAL B 436 -12.573 -14.203 -1.865 1.00 0.00 H new ATOM 0 HB VAL B 436 -9.911 -12.827 -1.949 1.00 0.00 H new ATOM 0 HG11 VAL B 436 -9.122 -14.632 -3.437 1.00 0.00 H new ATOM 0 HG12 VAL B 436 -9.440 -15.219 -1.787 1.00 0.00 H new ATOM 0 HG13 VAL B 436 -10.604 -15.555 -3.091 1.00 0.00 H new ATOM 0 HG21 VAL B 436 -10.405 -12.734 -4.366 1.00 0.00 H new ATOM 0 HG22 VAL B 436 -11.959 -13.551 -4.072 1.00 0.00 H new ATOM 0 HG23 VAL B 436 -11.663 -11.932 -3.396 1.00 0.00 H new ATOM 751 N LEU B 437 -11.786 -15.969 -0.377 1.00 0.00 N ATOM 752 CA LEU B 437 -11.473 -17.006 0.592 1.00 0.00 C ATOM 753 C LEU B 437 -10.325 -17.866 0.059 1.00 0.00 C ATOM 754 O LEU B 437 -10.346 -18.289 -1.096 1.00 0.00 O ATOM 755 CB LEU B 437 -12.728 -17.805 0.946 1.00 0.00 C ATOM 756 CG LEU B 437 -14.030 -17.331 0.297 1.00 0.00 C ATOM 757 CD1 LEU B 437 -15.198 -18.242 0.682 1.00 0.00 C ATOM 758 CD2 LEU B 437 -14.310 -15.866 0.636 1.00 0.00 C ATOM 0 H LEU B 437 -12.381 -16.272 -1.148 1.00 0.00 H new ATOM 0 HA LEU B 437 -11.132 -16.563 1.528 1.00 0.00 H new ATOM 0 HB2 LEU B 437 -12.563 -18.845 0.666 1.00 0.00 H new ATOM 0 HB3 LEU B 437 -12.856 -17.783 2.028 1.00 0.00 H new ATOM 0 HG LEU B 437 -13.915 -17.395 -0.785 1.00 0.00 H new ATOM 0 HD11 LEU B 437 -16.111 -17.883 0.208 1.00 0.00 H new ATOM 0 HD12 LEU B 437 -14.991 -19.259 0.348 1.00 0.00 H new ATOM 0 HD13 LEU B 437 -15.324 -18.234 1.765 1.00 0.00 H new ATOM 0 HD21 LEU B 437 -15.241 -15.554 0.162 1.00 0.00 H new ATOM 0 HD22 LEU B 437 -14.397 -15.753 1.717 1.00 0.00 H new ATOM 0 HD23 LEU B 437 -13.492 -15.245 0.271 1.00 0.00 H new ATOM 770 N VAL B 438 -9.351 -18.099 0.926 1.00 0.00 N ATOM 771 CA VAL B 438 -8.197 -18.902 0.558 1.00 0.00 C ATOM 772 C VAL B 438 -8.528 -20.383 0.756 1.00 0.00 C ATOM 773 O VAL B 438 -8.663 -20.846 1.887 1.00 0.00 O ATOM 774 CB VAL B 438 -6.971 -18.451 1.353 1.00 0.00 C ATOM 775 CG1 VAL B 438 -5.842 -19.479 1.250 1.00 0.00 C ATOM 776 CG2 VAL B 438 -6.498 -17.070 0.896 1.00 0.00 C ATOM 0 H VAL B 438 -9.337 -17.746 1.883 1.00 0.00 H new ATOM 0 HA VAL B 438 -7.954 -18.762 -0.495 1.00 0.00 H new ATOM 0 HB VAL B 438 -7.261 -18.376 2.401 1.00 0.00 H new ATOM 0 HG11 VAL B 438 -4.982 -19.134 1.824 1.00 0.00 H new ATOM 0 HG12 VAL B 438 -6.183 -20.435 1.647 1.00 0.00 H new ATOM 0 HG13 VAL B 438 -5.555 -19.601 0.205 1.00 0.00 H new ATOM 0 HG21 VAL B 438 -5.625 -16.773 1.478 1.00 0.00 H new ATOM 0 HG22 VAL B 438 -6.234 -17.107 -0.161 1.00 0.00 H new ATOM 0 HG23 VAL B 438 -7.297 -16.344 1.045 1.00 0.00 H new ATOM 786 N ILE B 439 -8.647 -21.084 -0.362 1.00 0.00 N ATOM 787 CA ILE B 439 -8.959 -22.503 -0.325 1.00 0.00 C ATOM 788 C ILE B 439 -7.789 -23.293 -0.916 1.00 0.00 C ATOM 789 O ILE B 439 -7.030 -22.769 -1.729 1.00 0.00 O ATOM 790 CB ILE B 439 -10.296 -22.776 -1.015 1.00 0.00 C ATOM 791 CG1 ILE B 439 -10.208 -22.490 -2.515 1.00 0.00 C ATOM 792 CG2 ILE B 439 -11.428 -21.992 -0.347 1.00 0.00 C ATOM 793 CD1 ILE B 439 -10.721 -21.084 -2.836 1.00 0.00 C ATOM 0 H ILE B 439 -8.533 -20.696 -1.299 1.00 0.00 H new ATOM 0 HA ILE B 439 -9.084 -22.839 0.704 1.00 0.00 H new ATOM 0 HB ILE B 439 -10.528 -23.835 -0.903 1.00 0.00 H new ATOM 0 HG12 ILE B 439 -9.175 -22.589 -2.848 1.00 0.00 H new ATOM 0 HG13 ILE B 439 -10.792 -23.228 -3.065 1.00 0.00 H new ATOM 0 HG21 ILE B 439 -12.368 -22.204 -0.857 1.00 0.00 H new ATOM 0 HG22 ILE B 439 -11.508 -22.288 0.699 1.00 0.00 H new ATOM 0 HG23 ILE B 439 -11.216 -20.925 -0.407 1.00 0.00 H new ATOM 0 HD11 ILE B 439 -10.648 -20.906 -3.909 1.00 0.00 H new ATOM 0 HD12 ILE B 439 -11.762 -20.996 -2.524 1.00 0.00 H new ATOM 0 HD13 ILE B 439 -10.120 -20.347 -2.304 1.00 0.00 H new ATOM 805 N PRO B 440 -7.678 -24.574 -0.473 1.00 0.00 N ATOM 806 CA PRO B 440 -6.614 -25.441 -0.949 1.00 0.00 C ATOM 807 C PRO B 440 -6.895 -25.922 -2.374 1.00 0.00 C ATOM 808 O PRO B 440 -7.874 -26.628 -2.613 1.00 0.00 O ATOM 809 CB PRO B 440 -6.551 -26.577 0.060 1.00 0.00 C ATOM 810 CG PRO B 440 -7.879 -26.552 0.799 1.00 0.00 C ATOM 811 CD PRO B 440 -8.560 -25.228 0.490 1.00 0.00 C ATOM 0 HA PRO B 440 -5.653 -24.931 -1.015 1.00 0.00 H new ATOM 0 HB2 PRO B 440 -6.399 -27.534 -0.439 1.00 0.00 H new ATOM 0 HB3 PRO B 440 -5.718 -26.441 0.749 1.00 0.00 H new ATOM 0 HG2 PRO B 440 -8.506 -27.386 0.485 1.00 0.00 H new ATOM 0 HG3 PRO B 440 -7.721 -26.658 1.872 1.00 0.00 H new ATOM 0 HD2 PRO B 440 -9.556 -25.382 0.074 1.00 0.00 H new ATOM 0 HD3 PRO B 440 -8.680 -24.625 1.390 1.00 0.00 H new ATOM 819 N PHE B 441 -6.019 -25.521 -3.283 1.00 0.00 N ATOM 820 CA PHE B 441 -6.161 -25.902 -4.678 1.00 0.00 C ATOM 821 C PHE B 441 -6.193 -27.424 -4.830 1.00 0.00 C ATOM 822 O PHE B 441 -6.126 -28.152 -3.841 1.00 0.00 O ATOM 823 CB PHE B 441 -4.939 -25.353 -5.418 1.00 0.00 C ATOM 824 CG PHE B 441 -3.653 -25.367 -4.591 1.00 0.00 C ATOM 825 CD1 PHE B 441 -3.441 -26.353 -3.678 1.00 0.00 C ATOM 826 CD2 PHE B 441 -2.720 -24.393 -4.767 1.00 0.00 C ATOM 827 CE1 PHE B 441 -2.247 -26.365 -2.910 1.00 0.00 C ATOM 828 CE2 PHE B 441 -1.526 -24.405 -3.999 1.00 0.00 C ATOM 829 CZ PHE B 441 -1.314 -25.391 -3.087 1.00 0.00 C ATOM 0 H PHE B 441 -5.208 -24.936 -3.081 1.00 0.00 H new ATOM 0 HA PHE B 441 -7.093 -25.504 -5.080 1.00 0.00 H new ATOM 0 HB2 PHE B 441 -4.783 -25.938 -6.324 1.00 0.00 H new ATOM 0 HB3 PHE B 441 -5.146 -24.330 -5.731 1.00 0.00 H new ATOM 0 HD1 PHE B 441 -4.181 -27.127 -3.537 1.00 0.00 H new ATOM 0 HD2 PHE B 441 -2.888 -23.610 -5.492 1.00 0.00 H new ATOM 0 HE1 PHE B 441 -2.079 -27.148 -2.185 1.00 0.00 H new ATOM 0 HE2 PHE B 441 -0.786 -23.631 -4.139 1.00 0.00 H new ATOM 0 HZ PHE B 441 -0.405 -25.401 -2.503 1.00 0.00 H new ATOM 931 N ASP B 448 0.249 -20.776 -8.976 1.00 0.00 N ATOM 932 CA ASP B 448 1.201 -19.888 -9.621 1.00 0.00 C ATOM 933 C ASP B 448 2.009 -19.149 -8.553 1.00 0.00 C ATOM 934 O ASP B 448 1.525 -18.933 -7.443 1.00 0.00 O ATOM 935 CB ASP B 448 0.485 -18.843 -10.479 1.00 0.00 C ATOM 936 CG ASP B 448 1.360 -17.675 -10.940 1.00 0.00 C ATOM 937 OD1 ASP B 448 2.497 -17.956 -11.377 1.00 0.00 O ATOM 938 OD2 ASP B 448 0.872 -16.528 -10.844 1.00 0.00 O ATOM 0 HA ASP B 448 1.850 -20.493 -10.255 1.00 0.00 H new ATOM 0 HB2 ASP B 448 0.073 -19.338 -11.358 1.00 0.00 H new ATOM 0 HB3 ASP B 448 -0.357 -18.445 -9.913 1.00 0.00 H new ATOM 943 N GLU B 449 3.226 -18.783 -8.925 1.00 0.00 N ATOM 944 CA GLU B 449 4.106 -18.073 -8.012 1.00 0.00 C ATOM 945 C GLU B 449 3.597 -16.648 -7.784 1.00 0.00 C ATOM 946 O GLU B 449 3.622 -15.823 -8.696 1.00 0.00 O ATOM 947 CB GLU B 449 5.545 -18.064 -8.532 1.00 0.00 C ATOM 948 CG GLU B 449 6.493 -18.732 -7.534 1.00 0.00 C ATOM 949 CD GLU B 449 7.948 -18.361 -7.827 1.00 0.00 C ATOM 950 OE1 GLU B 449 8.278 -18.267 -9.029 1.00 0.00 O ATOM 951 OE2 GLU B 449 8.697 -18.180 -6.843 1.00 0.00 O ATOM 0 H GLU B 449 3.624 -18.965 -9.846 1.00 0.00 H new ATOM 0 HA GLU B 449 4.103 -18.597 -7.056 1.00 0.00 H new ATOM 0 HB2 GLU B 449 5.593 -18.584 -9.489 1.00 0.00 H new ATOM 0 HB3 GLU B 449 5.864 -17.037 -8.711 1.00 0.00 H new ATOM 0 HG2 GLU B 449 6.233 -18.427 -6.520 1.00 0.00 H new ATOM 0 HG3 GLU B 449 6.373 -19.814 -7.582 1.00 0.00 H new ATOM 958 N GLY B 450 3.146 -16.403 -6.562 1.00 0.00 N ATOM 959 CA GLY B 450 2.632 -15.092 -6.203 1.00 0.00 C ATOM 960 C GLY B 450 1.105 -15.056 -6.302 1.00 0.00 C ATOM 961 O GLY B 450 0.484 -14.039 -5.999 1.00 0.00 O ATOM 0 H GLY B 450 3.126 -17.090 -5.808 1.00 0.00 H new ATOM 0 HA2 GLY B 450 2.940 -14.842 -5.188 1.00 0.00 H new ATOM 0 HA3 GLY B 450 3.061 -14.336 -6.861 1.00 0.00 H new ATOM 965 N TRP B 451 0.545 -16.179 -6.728 1.00 0.00 N ATOM 966 CA TRP B 451 -0.897 -16.288 -6.871 1.00 0.00 C ATOM 967 C TRP B 451 -1.325 -17.647 -6.313 1.00 0.00 C ATOM 968 O TRP B 451 -0.641 -18.649 -6.516 1.00 0.00 O ATOM 969 CB TRP B 451 -1.321 -16.078 -8.326 1.00 0.00 C ATOM 970 CG TRP B 451 -0.582 -14.940 -9.032 1.00 0.00 C ATOM 971 CD1 TRP B 451 0.740 -14.725 -9.090 1.00 0.00 C ATOM 972 CD2 TRP B 451 -1.179 -13.862 -9.783 1.00 0.00 C ATOM 973 NE1 TRP B 451 1.036 -13.592 -9.820 1.00 0.00 N ATOM 974 CE2 TRP B 451 -0.168 -13.051 -10.255 1.00 0.00 C ATOM 975 CE3 TRP B 451 -2.530 -13.582 -10.054 1.00 0.00 C ATOM 976 CZ2 TRP B 451 -0.400 -11.906 -11.027 1.00 0.00 C ATOM 977 CZ3 TRP B 451 -2.746 -12.434 -10.827 1.00 0.00 C ATOM 978 CH2 TRP B 451 -1.738 -11.607 -11.310 1.00 0.00 C ATOM 0 H TRP B 451 1.064 -17.021 -6.979 1.00 0.00 H new ATOM 0 HA TRP B 451 -1.402 -15.505 -6.306 1.00 0.00 H new ATOM 0 HB2 TRP B 451 -1.156 -17.003 -8.879 1.00 0.00 H new ATOM 0 HB3 TRP B 451 -2.392 -15.876 -8.356 1.00 0.00 H new ATOM 0 HD1 TRP B 451 1.480 -15.359 -8.624 1.00 0.00 H new ATOM 0 HE1 TRP B 451 1.967 -13.220 -10.006 1.00 0.00 H new ATOM 0 HE3 TRP B 451 -3.337 -14.203 -9.695 1.00 0.00 H new ATOM 0 HZ2 TRP B 451 0.410 -11.287 -11.385 1.00 0.00 H new ATOM 0 HZ3 TRP B 451 -3.767 -12.173 -11.064 1.00 0.00 H new ATOM 0 HH2 TRP B 451 -1.986 -10.738 -11.901 1.00 0.00 H new ATOM 989 N LEU B 452 -2.455 -17.637 -5.622 1.00 0.00 N ATOM 990 CA LEU B 452 -2.984 -18.856 -5.034 1.00 0.00 C ATOM 991 C LEU B 452 -4.439 -19.039 -5.471 1.00 0.00 C ATOM 992 O LEU B 452 -5.034 -18.134 -6.052 1.00 0.00 O ATOM 993 CB LEU B 452 -2.795 -18.845 -3.516 1.00 0.00 C ATOM 994 CG LEU B 452 -2.109 -17.607 -2.934 1.00 0.00 C ATOM 995 CD1 LEU B 452 -2.540 -17.372 -1.485 1.00 0.00 C ATOM 996 CD2 LEU B 452 -0.588 -17.708 -3.071 1.00 0.00 C ATOM 0 H LEU B 452 -3.019 -16.804 -5.456 1.00 0.00 H new ATOM 0 HA LEU B 452 -2.431 -19.723 -5.395 1.00 0.00 H new ATOM 0 HB2 LEU B 452 -3.774 -18.948 -3.047 1.00 0.00 H new ATOM 0 HB3 LEU B 452 -2.214 -19.723 -3.236 1.00 0.00 H new ATOM 0 HG LEU B 452 -2.427 -16.738 -3.509 1.00 0.00 H new ATOM 0 HD11 LEU B 452 -2.038 -16.486 -1.095 1.00 0.00 H new ATOM 0 HD12 LEU B 452 -3.619 -17.224 -1.446 1.00 0.00 H new ATOM 0 HD13 LEU B 452 -2.270 -18.238 -0.880 1.00 0.00 H new ATOM 0 HD21 LEU B 452 -0.125 -16.816 -2.650 1.00 0.00 H new ATOM 0 HD22 LEU B 452 -0.232 -18.589 -2.536 1.00 0.00 H new ATOM 0 HD23 LEU B 452 -0.322 -17.792 -4.125 1.00 0.00 H new ATOM 1008 N MET B 453 -4.969 -20.217 -5.175 1.00 0.00 N ATOM 1009 CA MET B 453 -6.342 -20.530 -5.529 1.00 0.00 C ATOM 1010 C MET B 453 -7.309 -20.075 -4.433 1.00 0.00 C ATOM 1011 O MET B 453 -7.304 -20.620 -3.331 1.00 0.00 O ATOM 1012 CB MET B 453 -6.484 -22.038 -5.741 1.00 0.00 C ATOM 1013 CG MET B 453 -7.955 -22.459 -5.719 1.00 0.00 C ATOM 1014 SD MET B 453 -8.305 -23.527 -7.106 1.00 0.00 S ATOM 1015 CE MET B 453 -8.002 -22.395 -8.453 1.00 0.00 C ATOM 0 H MET B 453 -4.471 -20.966 -4.694 1.00 0.00 H new ATOM 0 HA MET B 453 -6.590 -20.000 -6.449 1.00 0.00 H new ATOM 0 HB2 MET B 453 -6.036 -22.319 -6.694 1.00 0.00 H new ATOM 0 HB3 MET B 453 -5.938 -22.571 -4.963 1.00 0.00 H new ATOM 0 HG2 MET B 453 -8.180 -22.975 -4.786 1.00 0.00 H new ATOM 0 HG3 MET B 453 -8.595 -21.577 -5.758 1.00 0.00 H new ATOM 0 HE1 MET B 453 -7.585 -22.940 -9.300 1.00 0.00 H new ATOM 0 HE2 MET B 453 -8.939 -21.925 -8.751 1.00 0.00 H new ATOM 0 HE3 MET B 453 -7.297 -21.628 -8.132 1.00 0.00 H new ATOM 1025 N GLY B 454 -8.115 -19.080 -4.775 1.00 0.00 N ATOM 1026 CA GLY B 454 -9.084 -18.545 -3.834 1.00 0.00 C ATOM 1027 C GLY B 454 -10.448 -18.357 -4.501 1.00 0.00 C ATOM 1028 O GLY B 454 -10.572 -18.487 -5.717 1.00 0.00 O ATOM 0 H GLY B 454 -8.117 -18.631 -5.691 1.00 0.00 H new ATOM 0 HA2 GLY B 454 -9.181 -19.219 -2.983 1.00 0.00 H new ATOM 0 HA3 GLY B 454 -8.730 -17.590 -3.445 1.00 0.00 H new ATOM 1032 N VAL B 455 -11.438 -18.052 -3.674 1.00 0.00 N ATOM 1033 CA VAL B 455 -12.788 -17.843 -4.168 1.00 0.00 C ATOM 1034 C VAL B 455 -13.346 -16.545 -3.579 1.00 0.00 C ATOM 1035 O VAL B 455 -13.088 -16.224 -2.420 1.00 0.00 O ATOM 1036 CB VAL B 455 -13.656 -19.063 -3.854 1.00 0.00 C ATOM 1037 CG1 VAL B 455 -13.817 -19.247 -2.343 1.00 0.00 C ATOM 1038 CG2 VAL B 455 -15.018 -18.960 -4.543 1.00 0.00 C ATOM 0 H VAL B 455 -11.332 -17.945 -2.665 1.00 0.00 H new ATOM 0 HA VAL B 455 -12.785 -17.734 -5.253 1.00 0.00 H new ATOM 0 HB VAL B 455 -13.149 -19.945 -4.247 1.00 0.00 H new ATOM 0 HG11 VAL B 455 -14.438 -20.121 -2.147 1.00 0.00 H new ATOM 0 HG12 VAL B 455 -12.837 -19.389 -1.887 1.00 0.00 H new ATOM 0 HG13 VAL B 455 -14.291 -18.362 -1.917 1.00 0.00 H new ATOM 0 HG21 VAL B 455 -15.615 -19.840 -4.303 1.00 0.00 H new ATOM 0 HG22 VAL B 455 -15.535 -18.065 -4.196 1.00 0.00 H new ATOM 0 HG23 VAL B 455 -14.876 -18.901 -5.622 1.00 0.00 H new ATOM 1048 N LYS B 456 -14.100 -15.835 -4.405 1.00 0.00 N ATOM 1049 CA LYS B 456 -14.697 -14.579 -3.980 1.00 0.00 C ATOM 1050 C LYS B 456 -15.911 -14.870 -3.095 1.00 0.00 C ATOM 1051 O LYS B 456 -16.452 -15.974 -3.121 1.00 0.00 O ATOM 1052 CB LYS B 456 -15.016 -13.701 -5.192 1.00 0.00 C ATOM 1053 CG LYS B 456 -14.084 -12.489 -5.251 1.00 0.00 C ATOM 1054 CD LYS B 456 -14.658 -11.399 -6.157 1.00 0.00 C ATOM 1055 CE LYS B 456 -14.797 -11.899 -7.597 1.00 0.00 C ATOM 1056 NZ LYS B 456 -16.220 -12.134 -7.929 1.00 0.00 N ATOM 0 H LYS B 456 -14.311 -16.105 -5.366 1.00 0.00 H new ATOM 0 HA LYS B 456 -13.992 -14.007 -3.377 1.00 0.00 H new ATOM 0 HB2 LYS B 456 -14.916 -14.286 -6.106 1.00 0.00 H new ATOM 0 HB3 LYS B 456 -16.052 -13.366 -5.140 1.00 0.00 H new ATOM 0 HG2 LYS B 456 -13.935 -12.091 -4.247 1.00 0.00 H new ATOM 0 HG3 LYS B 456 -13.106 -12.796 -5.621 1.00 0.00 H new ATOM 0 HD2 LYS B 456 -15.632 -11.085 -5.782 1.00 0.00 H new ATOM 0 HD3 LYS B 456 -14.010 -10.523 -6.133 1.00 0.00 H new ATOM 0 HE2 LYS B 456 -14.373 -11.167 -8.285 1.00 0.00 H new ATOM 0 HE3 LYS B 456 -14.231 -12.822 -7.724 1.00 0.00 H new ATOM 0 HZ1 LYS B 456 -16.296 -12.473 -8.909 1.00 0.00 H new ATOM 0 HZ2 LYS B 456 -16.614 -12.849 -7.284 1.00 0.00 H new ATOM 0 HZ3 LYS B 456 -16.751 -11.246 -7.827 1.00 0.00 H new ATOM 1070 N GLU B 457 -16.302 -13.860 -2.332 1.00 0.00 N ATOM 1071 CA GLU B 457 -17.441 -13.993 -1.441 1.00 0.00 C ATOM 1072 C GLU B 457 -18.696 -14.362 -2.235 1.00 0.00 C ATOM 1073 O GLU B 457 -19.499 -15.180 -1.789 1.00 0.00 O ATOM 1074 CB GLU B 457 -17.659 -12.712 -0.634 1.00 0.00 C ATOM 1075 CG GLU B 457 -18.981 -12.766 0.135 1.00 0.00 C ATOM 1076 CD GLU B 457 -18.840 -12.115 1.513 1.00 0.00 C ATOM 1077 OE1 GLU B 457 -18.617 -10.885 1.539 1.00 0.00 O ATOM 1078 OE2 GLU B 457 -18.960 -12.861 2.508 1.00 0.00 O ATOM 0 H GLU B 457 -15.850 -12.946 -2.313 1.00 0.00 H new ATOM 0 HA GLU B 457 -17.233 -14.796 -0.735 1.00 0.00 H new ATOM 0 HB2 GLU B 457 -16.834 -12.573 0.064 1.00 0.00 H new ATOM 0 HB3 GLU B 457 -17.659 -11.852 -1.303 1.00 0.00 H new ATOM 0 HG2 GLU B 457 -19.758 -12.256 -0.434 1.00 0.00 H new ATOM 0 HG3 GLU B 457 -19.298 -13.803 0.249 1.00 0.00 H new ATOM 1085 N SER B 458 -18.826 -13.739 -3.397 1.00 0.00 N ATOM 1086 CA SER B 458 -19.970 -13.991 -4.257 1.00 0.00 C ATOM 1087 C SER B 458 -19.943 -15.439 -4.753 1.00 0.00 C ATOM 1088 O SER B 458 -20.988 -16.077 -4.872 1.00 0.00 O ATOM 1089 CB SER B 458 -19.991 -13.025 -5.443 1.00 0.00 C ATOM 1090 OG SER B 458 -21.316 -12.624 -5.782 1.00 0.00 O ATOM 0 H SER B 458 -18.158 -13.060 -3.763 1.00 0.00 H new ATOM 0 HA SER B 458 -20.877 -13.829 -3.675 1.00 0.00 H new ATOM 0 HB2 SER B 458 -19.396 -12.144 -5.203 1.00 0.00 H new ATOM 0 HB3 SER B 458 -19.524 -13.500 -6.306 1.00 0.00 H new ATOM 0 HG SER B 458 -21.286 -12.006 -6.542 1.00 0.00 H new ATOM 1096 N ASP B 459 -18.737 -15.914 -5.028 1.00 0.00 N ATOM 1097 CA ASP B 459 -18.561 -17.274 -5.507 1.00 0.00 C ATOM 1098 C ASP B 459 -18.936 -18.255 -4.395 1.00 0.00 C ATOM 1099 O ASP B 459 -19.439 -19.345 -4.667 1.00 0.00 O ATOM 1100 CB ASP B 459 -17.104 -17.536 -5.896 1.00 0.00 C ATOM 1101 CG ASP B 459 -16.680 -16.952 -7.245 1.00 0.00 C ATOM 1102 OD1 ASP B 459 -17.531 -16.277 -7.864 1.00 0.00 O ATOM 1103 OD2 ASP B 459 -15.515 -17.194 -7.628 1.00 0.00 O ATOM 0 H ASP B 459 -17.873 -15.381 -4.928 1.00 0.00 H new ATOM 0 HA ASP B 459 -19.199 -17.409 -6.381 1.00 0.00 H new ATOM 0 HB2 ASP B 459 -16.457 -17.126 -5.120 1.00 0.00 H new ATOM 0 HB3 ASP B 459 -16.937 -18.613 -5.915 1.00 0.00 H new ATOM 1108 N TRP B 460 -18.678 -17.834 -3.165 1.00 0.00 N ATOM 1109 CA TRP B 460 -18.983 -18.661 -2.011 1.00 0.00 C ATOM 1110 C TRP B 460 -20.440 -19.114 -2.125 1.00 0.00 C ATOM 1111 O TRP B 460 -20.743 -20.294 -1.954 1.00 0.00 O ATOM 1112 CB TRP B 460 -18.689 -17.915 -0.708 1.00 0.00 C ATOM 1113 CG TRP B 460 -18.662 -18.813 0.531 1.00 0.00 C ATOM 1114 CD1 TRP B 460 -19.188 -20.037 0.674 1.00 0.00 C ATOM 1115 CD2 TRP B 460 -18.054 -18.504 1.803 1.00 0.00 C ATOM 1116 NE1 TRP B 460 -18.964 -20.538 1.940 1.00 0.00 N ATOM 1117 CE2 TRP B 460 -18.253 -19.576 2.648 1.00 0.00 C ATOM 1118 CE3 TRP B 460 -17.359 -17.357 2.225 1.00 0.00 C ATOM 1119 CZ2 TRP B 460 -17.788 -19.608 3.969 1.00 0.00 C ATOM 1120 CZ3 TRP B 460 -16.901 -17.404 3.547 1.00 0.00 C ATOM 1121 CH2 TRP B 460 -17.093 -18.476 4.411 1.00 0.00 C ATOM 0 H TRP B 460 -18.261 -16.930 -2.943 1.00 0.00 H new ATOM 0 HA TRP B 460 -18.345 -19.544 -1.991 1.00 0.00 H new ATOM 0 HB2 TRP B 460 -17.727 -17.410 -0.799 1.00 0.00 H new ATOM 0 HB3 TRP B 460 -19.443 -17.141 -0.567 1.00 0.00 H new ATOM 0 HD1 TRP B 460 -19.720 -20.565 -0.104 1.00 0.00 H new ATOM 0 HE1 TRP B 460 -19.265 -21.447 2.292 1.00 0.00 H new ATOM 0 HE3 TRP B 460 -17.192 -16.507 1.580 1.00 0.00 H new ATOM 0 HZ2 TRP B 460 -17.956 -20.460 4.611 1.00 0.00 H new ATOM 0 HZ3 TRP B 460 -16.361 -16.547 3.922 1.00 0.00 H new ATOM 0 HH2 TRP B 460 -16.708 -18.436 5.419 1.00 0.00 H new ATOM 1132 N ASN B 461 -21.304 -18.152 -2.413 1.00 0.00 N ATOM 1133 CA ASN B 461 -22.723 -18.436 -2.551 1.00 0.00 C ATOM 1134 C ASN B 461 -22.921 -19.505 -3.628 1.00 0.00 C ATOM 1135 O ASN B 461 -23.910 -20.236 -3.607 1.00 0.00 O ATOM 1136 CB ASN B 461 -23.496 -17.187 -2.978 1.00 0.00 C ATOM 1137 CG ASN B 461 -23.399 -16.092 -1.914 1.00 0.00 C ATOM 1138 OD1 ASN B 461 -24.219 -15.989 -1.016 1.00 0.00 O ATOM 1139 ND2 ASN B 461 -22.354 -15.283 -2.063 1.00 0.00 N ATOM 0 H ASN B 461 -21.049 -17.175 -2.555 1.00 0.00 H new ATOM 0 HA ASN B 461 -23.095 -18.777 -1.585 1.00 0.00 H new ATOM 0 HB2 ASN B 461 -23.101 -16.816 -3.924 1.00 0.00 H new ATOM 0 HB3 ASN B 461 -24.542 -17.443 -3.148 1.00 0.00 H new ATOM 0 HD21 ASN B 461 -22.201 -14.521 -1.403 1.00 0.00 H new ATOM 0 HD22 ASN B 461 -21.705 -15.425 -2.837 1.00 0.00 H new ATOM 1146 N GLN B 462 -21.964 -19.563 -4.542 1.00 0.00 N ATOM 1147 CA GLN B 462 -22.022 -20.530 -5.625 1.00 0.00 C ATOM 1148 C GLN B 462 -21.290 -21.815 -5.229 1.00 0.00 C ATOM 1149 O GLN B 462 -20.953 -22.630 -6.086 1.00 0.00 O ATOM 1150 CB GLN B 462 -21.443 -19.945 -6.915 1.00 0.00 C ATOM 1151 CG GLN B 462 -22.543 -19.322 -7.776 1.00 0.00 C ATOM 1152 CD GLN B 462 -22.781 -17.861 -7.390 1.00 0.00 C ATOM 1153 OE1 GLN B 462 -22.290 -16.938 -8.019 1.00 0.00 O ATOM 1154 NE2 GLN B 462 -23.559 -17.703 -6.323 1.00 0.00 N ATOM 0 H GLN B 462 -21.144 -18.956 -4.555 1.00 0.00 H new ATOM 0 HA GLN B 462 -23.068 -20.773 -5.813 1.00 0.00 H new ATOM 0 HB2 GLN B 462 -20.695 -19.190 -6.673 1.00 0.00 H new ATOM 0 HB3 GLN B 462 -20.935 -20.728 -7.478 1.00 0.00 H new ATOM 0 HG2 GLN B 462 -22.264 -19.383 -8.828 1.00 0.00 H new ATOM 0 HG3 GLN B 462 -23.467 -19.888 -7.657 1.00 0.00 H new ATOM 0 HE21 GLN B 462 -23.938 -18.519 -5.843 1.00 0.00 H new ATOM 0 HE22 GLN B 462 -23.777 -16.766 -5.985 1.00 0.00 H new ATOM 1163 N HIS B 463 -21.066 -21.954 -3.931 1.00 0.00 N ATOM 1164 CA HIS B 463 -20.380 -23.125 -3.411 1.00 0.00 C ATOM 1165 C HIS B 463 -20.947 -24.385 -4.069 1.00 0.00 C ATOM 1166 O HIS B 463 -20.274 -25.414 -4.129 1.00 0.00 O ATOM 1167 CB HIS B 463 -20.458 -23.167 -1.884 1.00 0.00 C ATOM 1168 CG HIS B 463 -20.634 -24.555 -1.316 1.00 0.00 C ATOM 1169 ND1 HIS B 463 -19.823 -25.065 -0.317 1.00 0.00 N ATOM 1170 CD2 HIS B 463 -21.536 -25.533 -1.616 1.00 0.00 C ATOM 1171 CE1 HIS B 463 -20.227 -26.295 -0.037 1.00 0.00 C ATOM 1172 NE2 HIS B 463 -21.289 -26.584 -0.844 1.00 0.00 N ATOM 0 H HIS B 463 -21.347 -21.275 -3.223 1.00 0.00 H new ATOM 0 HA HIS B 463 -19.320 -23.072 -3.661 1.00 0.00 H new ATOM 0 HB2 HIS B 463 -19.549 -22.729 -1.472 1.00 0.00 H new ATOM 0 HB3 HIS B 463 -21.289 -22.543 -1.556 1.00 0.00 H new ATOM 0 HD2 HIS B 463 -22.319 -25.464 -2.357 1.00 0.00 H new ATOM 0 HE1 HIS B 463 -19.792 -26.954 0.700 1.00 0.00 H new ATOM 0 HE2 HIS B 463 -21.807 -27.462 -0.852 1.00 0.00 H new ATOM 1180 N LYS B 464 -22.177 -24.264 -4.544 1.00 0.00 N ATOM 1181 CA LYS B 464 -22.841 -25.381 -5.195 1.00 0.00 C ATOM 1182 C LYS B 464 -21.996 -25.851 -6.381 1.00 0.00 C ATOM 1183 O LYS B 464 -22.009 -27.031 -6.727 1.00 0.00 O ATOM 1184 CB LYS B 464 -24.276 -25.005 -5.572 1.00 0.00 C ATOM 1185 CG LYS B 464 -24.293 -23.876 -6.605 1.00 0.00 C ATOM 1186 CD LYS B 464 -25.573 -23.917 -7.441 1.00 0.00 C ATOM 1187 CE LYS B 464 -25.364 -24.721 -8.725 1.00 0.00 C ATOM 1188 NZ LYS B 464 -26.286 -24.256 -9.785 1.00 0.00 N ATOM 0 H LYS B 464 -22.732 -23.410 -4.491 1.00 0.00 H new ATOM 0 HA LYS B 464 -22.926 -26.225 -4.510 1.00 0.00 H new ATOM 0 HB2 LYS B 464 -24.791 -25.878 -5.973 1.00 0.00 H new ATOM 0 HB3 LYS B 464 -24.821 -24.695 -4.680 1.00 0.00 H new ATOM 0 HG2 LYS B 464 -24.216 -22.914 -6.099 1.00 0.00 H new ATOM 0 HG3 LYS B 464 -23.425 -23.963 -7.258 1.00 0.00 H new ATOM 0 HD2 LYS B 464 -26.379 -24.361 -6.857 1.00 0.00 H new ATOM 0 HD3 LYS B 464 -25.882 -22.902 -7.690 1.00 0.00 H new ATOM 0 HE2 LYS B 464 -24.332 -24.618 -9.062 1.00 0.00 H new ATOM 0 HE3 LYS B 464 -25.531 -25.780 -8.529 1.00 0.00 H new ATOM 0 HZ1 LYS B 464 -26.130 -24.813 -10.649 1.00 0.00 H new ATOM 0 HZ2 LYS B 464 -27.269 -24.377 -9.468 1.00 0.00 H new ATOM 0 HZ3 LYS B 464 -26.108 -23.251 -9.984 1.00 0.00 H new ATOM 1202 N LYS B 465 -21.282 -24.903 -6.970 1.00 0.00 N ATOM 1203 CA LYS B 465 -20.433 -25.205 -8.109 1.00 0.00 C ATOM 1204 C LYS B 465 -19.079 -24.515 -7.928 1.00 0.00 C ATOM 1205 O LYS B 465 -18.597 -23.839 -8.836 1.00 0.00 O ATOM 1206 CB LYS B 465 -21.139 -24.840 -9.416 1.00 0.00 C ATOM 1207 CG LYS B 465 -21.310 -26.070 -10.309 1.00 0.00 C ATOM 1208 CD LYS B 465 -22.218 -25.760 -11.502 1.00 0.00 C ATOM 1209 CE LYS B 465 -22.401 -26.995 -12.386 1.00 0.00 C ATOM 1210 NZ LYS B 465 -23.196 -28.025 -11.681 1.00 0.00 N ATOM 0 H LYS B 465 -21.274 -23.925 -6.679 1.00 0.00 H new ATOM 0 HA LYS B 465 -20.240 -26.276 -8.166 1.00 0.00 H new ATOM 0 HB2 LYS B 465 -22.115 -24.406 -9.197 1.00 0.00 H new ATOM 0 HB3 LYS B 465 -20.564 -24.080 -9.944 1.00 0.00 H new ATOM 0 HG2 LYS B 465 -20.335 -26.403 -10.666 1.00 0.00 H new ATOM 0 HG3 LYS B 465 -21.734 -26.889 -9.728 1.00 0.00 H new ATOM 0 HD2 LYS B 465 -23.189 -25.416 -11.145 1.00 0.00 H new ATOM 0 HD3 LYS B 465 -21.789 -24.948 -12.089 1.00 0.00 H new ATOM 0 HE2 LYS B 465 -22.900 -26.715 -13.314 1.00 0.00 H new ATOM 0 HE3 LYS B 465 -21.427 -27.402 -12.658 1.00 0.00 H new ATOM 0 HZ1 LYS B 465 -23.483 -28.763 -12.355 1.00 0.00 H new ATOM 0 HZ2 LYS B 465 -22.621 -28.450 -10.926 1.00 0.00 H new ATOM 0 HZ3 LYS B 465 -24.043 -27.586 -11.266 1.00 0.00 H new ATOM 1224 N LEU B 466 -18.505 -24.708 -6.750 1.00 0.00 N ATOM 1225 CA LEU B 466 -17.217 -24.114 -6.438 1.00 0.00 C ATOM 1226 C LEU B 466 -16.173 -24.615 -7.438 1.00 0.00 C ATOM 1227 O LEU B 466 -15.232 -23.897 -7.772 1.00 0.00 O ATOM 1228 CB LEU B 466 -16.844 -24.376 -4.978 1.00 0.00 C ATOM 1229 CG LEU B 466 -15.879 -25.536 -4.729 1.00 0.00 C ATOM 1230 CD1 LEU B 466 -15.168 -25.380 -3.384 1.00 0.00 C ATOM 1231 CD2 LEU B 466 -16.598 -26.882 -4.844 1.00 0.00 C ATOM 0 H LEU B 466 -18.909 -25.268 -5.999 1.00 0.00 H new ATOM 0 HA LEU B 466 -17.264 -23.030 -6.541 1.00 0.00 H new ATOM 0 HB2 LEU B 466 -16.402 -23.468 -4.568 1.00 0.00 H new ATOM 0 HB3 LEU B 466 -17.760 -24.565 -4.418 1.00 0.00 H new ATOM 0 HG LEU B 466 -15.112 -25.513 -5.503 1.00 0.00 H new ATOM 0 HD11 LEU B 466 -14.488 -26.218 -3.233 1.00 0.00 H new ATOM 0 HD12 LEU B 466 -14.602 -24.448 -3.377 1.00 0.00 H new ATOM 0 HD13 LEU B 466 -15.906 -25.362 -2.582 1.00 0.00 H new ATOM 0 HD21 LEU B 466 -15.889 -27.690 -4.663 1.00 0.00 H new ATOM 0 HD22 LEU B 466 -17.400 -26.930 -4.107 1.00 0.00 H new ATOM 0 HD23 LEU B 466 -17.018 -26.986 -5.844 1.00 0.00 H new ATOM 1243 N GLU B 467 -16.375 -25.845 -7.889 1.00 0.00 N ATOM 1244 CA GLU B 467 -15.463 -26.451 -8.844 1.00 0.00 C ATOM 1245 C GLU B 467 -15.346 -25.578 -10.095 1.00 0.00 C ATOM 1246 O GLU B 467 -14.293 -25.533 -10.729 1.00 0.00 O ATOM 1247 CB GLU B 467 -15.909 -27.869 -9.204 1.00 0.00 C ATOM 1248 CG GLU B 467 -14.945 -28.910 -8.632 1.00 0.00 C ATOM 1249 CD GLU B 467 -15.461 -30.329 -8.878 1.00 0.00 C ATOM 1250 OE1 GLU B 467 -16.365 -30.744 -8.122 1.00 0.00 O ATOM 1251 OE2 GLU B 467 -14.939 -30.967 -9.818 1.00 0.00 O ATOM 0 H GLU B 467 -17.157 -26.438 -7.611 1.00 0.00 H new ATOM 0 HA GLU B 467 -14.478 -26.522 -8.382 1.00 0.00 H new ATOM 0 HB2 GLU B 467 -16.913 -28.047 -8.818 1.00 0.00 H new ATOM 0 HB3 GLU B 467 -15.961 -27.973 -10.288 1.00 0.00 H new ATOM 0 HG2 GLU B 467 -13.963 -28.792 -9.090 1.00 0.00 H new ATOM 0 HG3 GLU B 467 -14.819 -28.745 -7.562 1.00 0.00 H new ATOM 1258 N LYS B 468 -16.443 -24.906 -10.413 1.00 0.00 N ATOM 1259 CA LYS B 468 -16.477 -24.038 -11.577 1.00 0.00 C ATOM 1260 C LYS B 468 -16.441 -22.578 -11.120 1.00 0.00 C ATOM 1261 O LYS B 468 -16.617 -21.667 -11.927 1.00 0.00 O ATOM 1262 CB LYS B 468 -17.679 -24.375 -12.462 1.00 0.00 C ATOM 1263 CG LYS B 468 -18.956 -23.728 -11.923 1.00 0.00 C ATOM 1264 CD LYS B 468 -19.519 -22.712 -12.919 1.00 0.00 C ATOM 1265 CE LYS B 468 -19.308 -21.281 -12.420 1.00 0.00 C ATOM 1266 NZ LYS B 468 -20.600 -20.564 -12.340 1.00 0.00 N ATOM 0 H LYS B 468 -17.315 -24.945 -9.885 1.00 0.00 H new ATOM 0 HA LYS B 468 -15.597 -24.200 -12.199 1.00 0.00 H new ATOM 0 HB2 LYS B 468 -17.494 -24.030 -13.479 1.00 0.00 H new ATOM 0 HB3 LYS B 468 -17.808 -25.456 -12.510 1.00 0.00 H new ATOM 0 HG2 LYS B 468 -19.701 -24.498 -11.723 1.00 0.00 H new ATOM 0 HG3 LYS B 468 -18.745 -23.234 -10.974 1.00 0.00 H new ATOM 0 HD2 LYS B 468 -19.034 -22.839 -13.887 1.00 0.00 H new ATOM 0 HD3 LYS B 468 -20.583 -22.896 -13.069 1.00 0.00 H new ATOM 0 HE2 LYS B 468 -18.834 -21.298 -11.439 1.00 0.00 H new ATOM 0 HE3 LYS B 468 -18.632 -20.751 -13.092 1.00 0.00 H new ATOM 0 HZ1 LYS B 468 -20.439 -19.595 -12.000 1.00 0.00 H new ATOM 0 HZ2 LYS B 468 -21.038 -20.532 -13.283 1.00 0.00 H new ATOM 0 HZ3 LYS B 468 -21.233 -21.061 -11.681 1.00 0.00 H new ATOM 1280 N CYS B 469 -16.210 -22.401 -9.827 1.00 0.00 N ATOM 1281 CA CYS B 469 -16.149 -21.068 -9.253 1.00 0.00 C ATOM 1282 C CYS B 469 -14.701 -20.786 -8.848 1.00 0.00 C ATOM 1283 O CYS B 469 -14.318 -19.632 -8.662 1.00 0.00 O ATOM 1284 CB CYS B 469 -17.112 -20.914 -8.074 1.00 0.00 C ATOM 1285 SG CYS B 469 -18.099 -19.386 -8.268 1.00 0.00 S ATOM 0 H CYS B 469 -16.063 -23.159 -9.161 1.00 0.00 H new ATOM 0 HA CYS B 469 -16.468 -20.335 -9.994 1.00 0.00 H new ATOM 0 HB2 CYS B 469 -17.773 -21.779 -8.018 1.00 0.00 H new ATOM 0 HB3 CYS B 469 -16.553 -20.879 -7.139 1.00 0.00 H new ATOM 0 HG CYS B 469 -19.273 -19.685 -8.739 1.00 0.00 H new ATOM 1291 N ARG B 470 -13.935 -21.860 -8.723 1.00 0.00 N ATOM 1292 CA ARG B 470 -12.537 -21.743 -8.343 1.00 0.00 C ATOM 1293 C ARG B 470 -11.805 -20.800 -9.300 1.00 0.00 C ATOM 1294 O ARG B 470 -12.213 -20.635 -10.448 1.00 0.00 O ATOM 1295 CB ARG B 470 -11.847 -23.108 -8.354 1.00 0.00 C ATOM 1296 CG ARG B 470 -12.584 -24.102 -7.454 1.00 0.00 C ATOM 1297 CD ARG B 470 -11.600 -24.882 -6.579 1.00 0.00 C ATOM 1298 NE ARG B 470 -12.027 -26.295 -6.474 1.00 0.00 N ATOM 1299 CZ ARG B 470 -11.521 -27.169 -5.593 1.00 0.00 C ATOM 1300 NH1 ARG B 470 -10.568 -26.780 -4.735 1.00 0.00 N ATOM 1301 NH2 ARG B 470 -11.969 -28.432 -5.569 1.00 0.00 N ATOM 0 H ARG B 470 -14.256 -22.816 -8.878 1.00 0.00 H new ATOM 0 HA ARG B 470 -12.500 -21.339 -7.331 1.00 0.00 H new ATOM 0 HB2 ARG B 470 -11.810 -23.493 -9.373 1.00 0.00 H new ATOM 0 HB3 ARG B 470 -10.816 -23.001 -8.016 1.00 0.00 H new ATOM 0 HG2 ARG B 470 -13.294 -23.569 -6.822 1.00 0.00 H new ATOM 0 HG3 ARG B 470 -13.160 -24.795 -8.067 1.00 0.00 H new ATOM 0 HD2 ARG B 470 -10.598 -24.827 -7.006 1.00 0.00 H new ATOM 0 HD3 ARG B 470 -11.549 -24.434 -5.587 1.00 0.00 H new ATOM 0 HE ARG B 470 -12.752 -26.624 -7.112 1.00 0.00 H new ATOM 0 HH11 ARG B 470 -10.228 -25.819 -4.752 1.00 0.00 H new ATOM 0 HH12 ARG B 470 -10.183 -27.445 -4.065 1.00 0.00 H new ATOM 0 HH21 ARG B 470 -12.695 -28.728 -6.221 1.00 0.00 H new ATOM 0 HH22 ARG B 470 -11.584 -29.097 -4.898 1.00 0.00 H new ATOM 1315 N GLY B 471 -10.734 -20.207 -8.792 1.00 0.00 N ATOM 1316 CA GLY B 471 -9.942 -19.284 -9.586 1.00 0.00 C ATOM 1317 C GLY B 471 -8.575 -19.040 -8.943 1.00 0.00 C ATOM 1318 O GLY B 471 -8.260 -19.623 -7.906 1.00 0.00 O ATOM 0 H GLY B 471 -10.397 -20.348 -7.840 1.00 0.00 H new ATOM 0 HA2 GLY B 471 -9.809 -19.685 -10.591 1.00 0.00 H new ATOM 0 HA3 GLY B 471 -10.474 -18.338 -9.688 1.00 0.00 H new ATOM 1322 N VAL B 472 -7.801 -18.178 -9.584 1.00 0.00 N ATOM 1323 CA VAL B 472 -6.475 -17.849 -9.087 1.00 0.00 C ATOM 1324 C VAL B 472 -6.334 -16.329 -8.990 1.00 0.00 C ATOM 1325 O VAL B 472 -6.852 -15.599 -9.833 1.00 0.00 O ATOM 1326 CB VAL B 472 -5.409 -18.494 -9.975 1.00 0.00 C ATOM 1327 CG1 VAL B 472 -4.076 -17.752 -9.857 1.00 0.00 C ATOM 1328 CG2 VAL B 472 -5.242 -19.977 -9.641 1.00 0.00 C ATOM 0 H VAL B 472 -8.066 -17.697 -10.443 1.00 0.00 H new ATOM 0 HA VAL B 472 -6.331 -18.253 -8.085 1.00 0.00 H new ATOM 0 HB VAL B 472 -5.744 -18.419 -11.010 1.00 0.00 H new ATOM 0 HG11 VAL B 472 -3.335 -18.230 -10.498 1.00 0.00 H new ATOM 0 HG12 VAL B 472 -4.208 -16.715 -10.166 1.00 0.00 H new ATOM 0 HG13 VAL B 472 -3.734 -17.781 -8.823 1.00 0.00 H new ATOM 0 HG21 VAL B 472 -4.479 -20.412 -10.286 1.00 0.00 H new ATOM 0 HG22 VAL B 472 -4.940 -20.084 -8.599 1.00 0.00 H new ATOM 0 HG23 VAL B 472 -6.188 -20.494 -9.799 1.00 0.00 H new ATOM 1338 N PHE B 473 -5.629 -15.897 -7.954 1.00 0.00 N ATOM 1339 CA PHE B 473 -5.412 -14.477 -7.738 1.00 0.00 C ATOM 1340 C PHE B 473 -4.090 -14.229 -7.008 1.00 0.00 C ATOM 1341 O PHE B 473 -3.615 -15.089 -6.268 1.00 0.00 O ATOM 1342 CB PHE B 473 -6.564 -13.976 -6.864 1.00 0.00 C ATOM 1343 CG PHE B 473 -6.477 -14.424 -5.404 1.00 0.00 C ATOM 1344 CD1 PHE B 473 -6.674 -15.730 -5.080 1.00 0.00 C ATOM 1345 CD2 PHE B 473 -6.203 -13.516 -4.429 1.00 0.00 C ATOM 1346 CE1 PHE B 473 -6.594 -16.146 -3.724 1.00 0.00 C ATOM 1347 CE2 PHE B 473 -6.123 -13.931 -3.073 1.00 0.00 C ATOM 1348 CZ PHE B 473 -6.320 -15.237 -2.750 1.00 0.00 C ATOM 0 H PHE B 473 -5.201 -16.505 -7.256 1.00 0.00 H new ATOM 0 HA PHE B 473 -5.371 -13.957 -8.695 1.00 0.00 H new ATOM 0 HB2 PHE B 473 -6.586 -12.887 -6.899 1.00 0.00 H new ATOM 0 HB3 PHE B 473 -7.506 -14.327 -7.286 1.00 0.00 H new ATOM 0 HD1 PHE B 473 -6.891 -16.451 -5.854 1.00 0.00 H new ATOM 0 HD2 PHE B 473 -6.046 -12.479 -4.686 1.00 0.00 H new ATOM 0 HE1 PHE B 473 -6.751 -17.183 -3.467 1.00 0.00 H new ATOM 0 HE2 PHE B 473 -5.906 -13.210 -2.299 1.00 0.00 H new ATOM 0 HZ PHE B 473 -6.259 -15.553 -1.719 1.00 0.00 H new ATOM 1358 N PRO B 474 -3.518 -13.019 -7.249 1.00 0.00 N ATOM 1359 CA PRO B 474 -2.260 -12.648 -6.623 1.00 0.00 C ATOM 1360 C PRO B 474 -2.464 -12.297 -5.148 1.00 0.00 C ATOM 1361 O PRO B 474 -3.140 -11.321 -4.826 1.00 0.00 O ATOM 1362 CB PRO B 474 -1.742 -11.479 -7.446 1.00 0.00 C ATOM 1363 CG PRO B 474 -2.942 -10.942 -8.209 1.00 0.00 C ATOM 1364 CD PRO B 474 -4.052 -11.976 -8.119 1.00 0.00 C ATOM 0 HA PRO B 474 -1.537 -13.464 -6.614 1.00 0.00 H new ATOM 0 HB2 PRO B 474 -1.311 -10.710 -6.804 1.00 0.00 H new ATOM 0 HB3 PRO B 474 -0.956 -11.801 -8.130 1.00 0.00 H new ATOM 0 HG2 PRO B 474 -3.270 -9.992 -7.786 1.00 0.00 H new ATOM 0 HG3 PRO B 474 -2.679 -10.753 -9.250 1.00 0.00 H new ATOM 0 HD2 PRO B 474 -4.963 -11.544 -7.705 1.00 0.00 H new ATOM 0 HD3 PRO B 474 -4.305 -12.372 -9.103 1.00 0.00 H new ATOM 1372 N GLU B 475 -1.867 -13.112 -4.291 1.00 0.00 N ATOM 1373 CA GLU B 475 -1.975 -12.901 -2.858 1.00 0.00 C ATOM 1374 C GLU B 475 -1.214 -11.638 -2.449 1.00 0.00 C ATOM 1375 O GLU B 475 -1.588 -10.968 -1.487 1.00 0.00 O ATOM 1376 CB GLU B 475 -1.469 -14.120 -2.084 1.00 0.00 C ATOM 1377 CG GLU B 475 -1.123 -13.748 -0.640 1.00 0.00 C ATOM 1378 CD GLU B 475 -1.498 -14.878 0.321 1.00 0.00 C ATOM 1379 OE1 GLU B 475 -2.707 -15.188 0.389 1.00 0.00 O ATOM 1380 OE2 GLU B 475 -0.567 -15.406 0.967 1.00 0.00 O ATOM 0 H GLU B 475 -1.307 -13.920 -4.562 1.00 0.00 H new ATOM 0 HA GLU B 475 -3.027 -12.765 -2.609 1.00 0.00 H new ATOM 0 HB2 GLU B 475 -2.230 -14.900 -2.090 1.00 0.00 H new ATOM 0 HB3 GLU B 475 -0.588 -14.530 -2.579 1.00 0.00 H new ATOM 0 HG2 GLU B 475 -0.057 -13.537 -0.560 1.00 0.00 H new ATOM 0 HG3 GLU B 475 -1.650 -12.836 -0.359 1.00 0.00 H new ATOM 1387 N ASN B 476 -0.162 -11.350 -3.200 1.00 0.00 N ATOM 1388 CA ASN B 476 0.655 -10.179 -2.927 1.00 0.00 C ATOM 1389 C ASN B 476 -0.163 -8.917 -3.206 1.00 0.00 C ATOM 1390 O ASN B 476 0.183 -7.833 -2.737 1.00 0.00 O ATOM 1391 CB ASN B 476 1.892 -10.149 -3.827 1.00 0.00 C ATOM 1392 CG ASN B 476 2.484 -11.551 -3.993 1.00 0.00 C ATOM 1393 OD1 ASN B 476 2.774 -12.248 -3.034 1.00 0.00 O ATOM 1394 ND2 ASN B 476 2.646 -11.923 -5.259 1.00 0.00 N ATOM 0 H ASN B 476 0.144 -11.907 -3.998 1.00 0.00 H new ATOM 0 HA ASN B 476 0.969 -10.222 -1.884 1.00 0.00 H new ATOM 0 HB2 ASN B 476 1.626 -9.745 -4.804 1.00 0.00 H new ATOM 0 HB3 ASN B 476 2.641 -9.482 -3.400 1.00 0.00 H new ATOM 0 HD21 ASN B 476 3.034 -12.841 -5.475 1.00 0.00 H new ATOM 0 HD22 ASN B 476 2.382 -11.290 -6.014 1.00 0.00 H new ATOM 1401 N PHE B 477 -1.231 -9.098 -3.968 1.00 0.00 N ATOM 1402 CA PHE B 477 -2.101 -7.987 -4.315 1.00 0.00 C ATOM 1403 C PHE B 477 -3.349 -7.971 -3.430 1.00 0.00 C ATOM 1404 O PHE B 477 -4.237 -7.141 -3.619 1.00 0.00 O ATOM 1405 CB PHE B 477 -2.525 -8.188 -5.771 1.00 0.00 C ATOM 1406 CG PHE B 477 -3.999 -7.877 -6.039 1.00 0.00 C ATOM 1407 CD1 PHE B 477 -4.964 -8.726 -5.595 1.00 0.00 C ATOM 1408 CD2 PHE B 477 -4.343 -6.752 -6.720 1.00 0.00 C ATOM 1409 CE1 PHE B 477 -6.332 -8.437 -5.843 1.00 0.00 C ATOM 1410 CE2 PHE B 477 -5.712 -6.463 -6.969 1.00 0.00 C ATOM 1411 CZ PHE B 477 -6.677 -7.312 -6.525 1.00 0.00 C ATOM 0 H PHE B 477 -1.514 -9.998 -4.355 1.00 0.00 H new ATOM 0 HA PHE B 477 -1.574 -7.043 -4.172 1.00 0.00 H new ATOM 0 HB2 PHE B 477 -1.909 -7.554 -6.409 1.00 0.00 H new ATOM 0 HB3 PHE B 477 -2.324 -9.220 -6.058 1.00 0.00 H new ATOM 0 HD1 PHE B 477 -4.690 -9.620 -5.054 1.00 0.00 H new ATOM 0 HD2 PHE B 477 -3.576 -6.078 -7.072 1.00 0.00 H new ATOM 0 HE1 PHE B 477 -7.099 -9.111 -5.490 1.00 0.00 H new ATOM 0 HE2 PHE B 477 -5.986 -5.570 -7.511 1.00 0.00 H new ATOM 0 HZ PHE B 477 -7.718 -7.093 -6.714 1.00 0.00 H new ATOM 1421 N THR B 478 -3.376 -8.897 -2.483 1.00 0.00 N ATOM 1422 CA THR B 478 -4.500 -8.998 -1.568 1.00 0.00 C ATOM 1423 C THR B 478 -4.003 -9.122 -0.126 1.00 0.00 C ATOM 1424 O THR B 478 -2.800 -9.215 0.114 1.00 0.00 O ATOM 1425 CB THR B 478 -5.368 -10.176 -2.014 1.00 0.00 C ATOM 1426 OG1 THR B 478 -4.440 -11.098 -2.579 1.00 0.00 O ATOM 1427 CG2 THR B 478 -6.291 -9.814 -3.180 1.00 0.00 C ATOM 0 H THR B 478 -2.638 -9.584 -2.330 1.00 0.00 H new ATOM 0 HA THR B 478 -5.112 -8.097 -1.592 1.00 0.00 H new ATOM 0 HB THR B 478 -5.966 -10.525 -1.172 1.00 0.00 H new ATOM 0 HG1 THR B 478 -4.312 -10.893 -3.529 1.00 0.00 H new ATOM 0 HG21 THR B 478 -6.885 -10.685 -3.458 1.00 0.00 H new ATOM 0 HG22 THR B 478 -6.954 -9.003 -2.881 1.00 0.00 H new ATOM 0 HG23 THR B 478 -5.692 -9.497 -4.033 1.00 0.00 H new ATOM 1435 N GLU B 479 -4.955 -9.119 0.796 1.00 0.00 N ATOM 1436 CA GLU B 479 -4.629 -9.231 2.208 1.00 0.00 C ATOM 1437 C GLU B 479 -5.614 -10.170 2.907 1.00 0.00 C ATOM 1438 O GLU B 479 -6.827 -10.004 2.787 1.00 0.00 O ATOM 1439 CB GLU B 479 -4.613 -7.855 2.877 1.00 0.00 C ATOM 1440 CG GLU B 479 -3.705 -7.855 4.108 1.00 0.00 C ATOM 1441 CD GLU B 479 -2.324 -7.289 3.771 1.00 0.00 C ATOM 1442 OE1 GLU B 479 -1.538 -8.041 3.155 1.00 0.00 O ATOM 1443 OE2 GLU B 479 -2.086 -6.117 4.135 1.00 0.00 O ATOM 0 H GLU B 479 -5.952 -9.041 0.593 1.00 0.00 H new ATOM 0 HA GLU B 479 -3.628 -9.654 2.298 1.00 0.00 H new ATOM 0 HB2 GLU B 479 -4.267 -7.105 2.166 1.00 0.00 H new ATOM 0 HB3 GLU B 479 -5.626 -7.576 3.168 1.00 0.00 H new ATOM 0 HG2 GLU B 479 -4.161 -7.262 4.901 1.00 0.00 H new ATOM 0 HG3 GLU B 479 -3.602 -8.871 4.489 1.00 0.00 H new ATOM 1450 N ARG B 480 -5.056 -11.135 3.623 1.00 0.00 N ATOM 1451 CA ARG B 480 -5.870 -12.100 4.342 1.00 0.00 C ATOM 1452 C ARG B 480 -6.451 -11.466 5.607 1.00 0.00 C ATOM 1453 O ARG B 480 -5.781 -10.682 6.277 1.00 0.00 O ATOM 1454 CB ARG B 480 -5.050 -13.333 4.727 1.00 0.00 C ATOM 1455 CG ARG B 480 -3.873 -12.950 5.627 1.00 0.00 C ATOM 1456 CD ARG B 480 -3.607 -14.034 6.673 1.00 0.00 C ATOM 1457 NE ARG B 480 -2.393 -13.699 7.451 1.00 0.00 N ATOM 1458 CZ ARG B 480 -2.126 -14.184 8.671 1.00 0.00 C ATOM 1459 NH1 ARG B 480 -2.985 -15.027 9.260 1.00 0.00 N ATOM 1460 NH2 ARG B 480 -1.000 -13.825 9.303 1.00 0.00 N ATOM 0 H ARG B 480 -4.050 -11.269 3.721 1.00 0.00 H new ATOM 0 HA ARG B 480 -6.680 -12.409 3.682 1.00 0.00 H new ATOM 0 HB2 ARG B 480 -5.687 -14.052 5.242 1.00 0.00 H new ATOM 0 HB3 ARG B 480 -4.680 -13.823 3.827 1.00 0.00 H new ATOM 0 HG2 ARG B 480 -2.981 -12.799 5.020 1.00 0.00 H new ATOM 0 HG3 ARG B 480 -4.084 -12.003 6.125 1.00 0.00 H new ATOM 0 HD2 ARG B 480 -4.464 -14.125 7.341 1.00 0.00 H new ATOM 0 HD3 ARG B 480 -3.481 -15.000 6.184 1.00 0.00 H new ATOM 0 HE ARG B 480 -1.718 -13.059 7.032 1.00 0.00 H new ATOM 0 HH11 ARG B 480 -3.842 -15.300 8.780 1.00 0.00 H new ATOM 0 HH12 ARG B 480 -2.781 -15.396 10.189 1.00 0.00 H new ATOM 0 HH21 ARG B 480 -0.346 -13.183 8.855 1.00 0.00 H new ATOM 0 HH22 ARG B 480 -0.797 -14.194 10.232 1.00 0.00 H new ATOM 1474 N VAL B 481 -7.692 -11.830 5.896 1.00 0.00 N ATOM 1475 CA VAL B 481 -8.372 -11.306 7.069 1.00 0.00 C ATOM 1476 C VAL B 481 -8.289 -12.332 8.201 1.00 0.00 C ATOM 1477 O VAL B 481 -8.731 -13.469 8.047 1.00 0.00 O ATOM 1478 CB VAL B 481 -9.809 -10.923 6.713 1.00 0.00 C ATOM 1479 CG1 VAL B 481 -10.454 -10.110 7.837 1.00 0.00 C ATOM 1480 CG2 VAL B 481 -9.861 -10.161 5.387 1.00 0.00 C ATOM 0 H VAL B 481 -8.244 -12.481 5.338 1.00 0.00 H new ATOM 0 HA VAL B 481 -7.885 -10.396 7.419 1.00 0.00 H new ATOM 0 HB VAL B 481 -10.381 -11.843 6.594 1.00 0.00 H new ATOM 0 HG11 VAL B 481 -11.475 -9.851 7.558 1.00 0.00 H new ATOM 0 HG12 VAL B 481 -10.467 -10.701 8.753 1.00 0.00 H new ATOM 0 HG13 VAL B 481 -9.880 -9.198 8.002 1.00 0.00 H new ATOM 0 HG21 VAL B 481 -10.894 -9.901 5.157 1.00 0.00 H new ATOM 0 HG22 VAL B 481 -9.267 -9.251 5.467 1.00 0.00 H new ATOM 0 HG23 VAL B 481 -9.459 -10.788 4.591 1.00 0.00 H new ATOM 1490 N PRO B 482 -7.706 -11.881 9.344 1.00 0.00 N ATOM 1491 CA PRO B 482 -7.559 -12.747 10.501 1.00 0.00 C ATOM 1492 C PRO B 482 -8.897 -12.935 11.218 1.00 0.00 C ATOM 1493 O PRO B 482 -9.636 -11.974 11.424 1.00 0.00 O ATOM 1494 CB PRO B 482 -6.510 -12.070 11.369 1.00 0.00 C ATOM 1495 CG PRO B 482 -6.449 -10.626 10.897 1.00 0.00 C ATOM 1496 CD PRO B 482 -7.172 -10.540 9.563 1.00 0.00 C ATOM 0 HA PRO B 482 -7.245 -13.756 10.234 1.00 0.00 H new ATOM 0 HB2 PRO B 482 -6.780 -12.125 12.423 1.00 0.00 H new ATOM 0 HB3 PRO B 482 -5.541 -12.557 11.262 1.00 0.00 H new ATOM 0 HG2 PRO B 482 -6.916 -9.966 11.628 1.00 0.00 H new ATOM 0 HG3 PRO B 482 -5.413 -10.302 10.791 1.00 0.00 H new ATOM 0 HD2 PRO B 482 -7.968 -9.796 9.591 1.00 0.00 H new ATOM 0 HD3 PRO B 482 -6.492 -10.249 8.762 1.00 0.00 H new