USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=13 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 -109:sc= -0.888 (180deg=-3.18!) USER MOD Single : B 413 LYS NZ :NH3+ 178:sc= -1.58 (180deg=-1.61) USER MOD Single : B 415 GLN : amide:sc= -3.2 K(o=-3.2,f=-0.51) USER MOD Single : B 417 GLN : amide:sc= -2.53! C(o=-2.5!,f=-2.3!) USER MOD Single : B 418 HIS : no HD1:sc= -0.313 X(o=-0.31,f=-0.12) USER MOD Single : B 420 TYR OH : rot 91:sc= 1.4 USER MOD Single : B 421 THR OG1 : rot 180:sc= 0 USER MOD Single : B 423 THR OG1 : rot 47:sc= 0.338 USER MOD Single : B 425 THR OG1 : rot -24:sc= 0.18 USER MOD Single : B 429 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.024) USER MOD Single : B 431 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 453 MET CE :methyl -111:sc= -4.12! (180deg=-6.82!) USER MOD Single : B 456 LYS NZ :NH3+ -110:sc= -0.0149 (180deg=-0.132) USER MOD Single : B 458 SER OG : rot 180:sc= 0 USER MOD Single : B 461 ASN : amide:sc= -0.93 K(o=-0.93,f=0.0021) USER MOD Single : B 462 GLN : amide:sc= -5.29! K(o=-5.3!,f=-2.1) USER MOD Single : B 463 HIS : no HD1:sc= -1.44! K(o=-1.4!,f=-0.43) 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+ -171:sc= -0.493 (180deg=-0.577) USER MOD Single : B 469 CYS SG : rot -54:sc= -0.376 USER MOD Single : B 476 ASN : amide:sc= -3.37! C(o=-3.4!,f=-12!) USER MOD Single : B 478 THR OG1 : rot -91:sc= -0.353 USER MOD ----------------------------------------------------------------- ATOM 67 N PRO A 59 5.107 -7.741 -8.689 1.00 0.00 N ATOM 68 CA PRO A 59 4.989 -9.181 -8.842 1.00 0.00 C ATOM 69 C PRO A 59 6.205 -9.756 -9.571 1.00 0.00 C ATOM 70 O PRO A 59 7.043 -9.009 -10.073 1.00 0.00 O ATOM 71 CB PRO A 59 3.688 -9.391 -9.599 1.00 0.00 C ATOM 72 CG PRO A 59 3.362 -8.055 -10.246 1.00 0.00 C ATOM 73 CD PRO A 59 4.244 -6.998 -9.602 1.00 0.00 C ATOM 0 HA PRO A 59 4.967 -9.705 -7.887 1.00 0.00 H new ATOM 0 HB2 PRO A 59 3.795 -10.173 -10.351 1.00 0.00 H new ATOM 0 HB3 PRO A 59 2.890 -9.704 -8.925 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.540 -8.098 -11.321 1.00 0.00 H new ATOM 0 HG3 PRO A 59 2.309 -7.810 -10.107 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.828 -6.461 -10.349 1.00 0.00 H new ATOM 0 HD3 PRO A 59 3.649 -6.257 -9.069 1.00 0.00 H new ATOM 81 N PRO A 60 6.264 -11.115 -9.607 1.00 0.00 N ATOM 82 CA PRO A 60 7.363 -11.799 -10.267 1.00 0.00 C ATOM 83 C PRO A 60 7.216 -11.730 -11.789 1.00 0.00 C ATOM 84 O PRO A 60 6.129 -11.469 -12.300 1.00 0.00 O ATOM 85 CB PRO A 60 7.321 -13.220 -9.730 1.00 0.00 C ATOM 86 CG PRO A 60 5.929 -13.405 -9.149 1.00 0.00 C ATOM 87 CD PRO A 60 5.290 -12.032 -9.022 1.00 0.00 C ATOM 0 HA PRO A 60 8.329 -11.339 -10.062 1.00 0.00 H new ATOM 0 HB2 PRO A 60 7.512 -13.943 -10.523 1.00 0.00 H new ATOM 0 HB3 PRO A 60 8.086 -13.372 -8.968 1.00 0.00 H new ATOM 0 HG2 PRO A 60 5.329 -14.047 -9.794 1.00 0.00 H new ATOM 0 HG3 PRO A 60 5.983 -13.892 -8.175 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.338 -11.988 -9.550 1.00 0.00 H new ATOM 0 HD3 PRO A 60 5.088 -11.784 -7.980 1.00 0.00 H new ATOM 95 N LEU A 61 8.328 -11.969 -12.469 1.00 0.00 N ATOM 96 CA LEU A 61 8.337 -11.938 -13.922 1.00 0.00 C ATOM 97 C LEU A 61 7.357 -12.984 -14.457 1.00 0.00 C ATOM 98 O LEU A 61 7.415 -14.150 -14.069 1.00 0.00 O ATOM 99 CB LEU A 61 9.762 -12.103 -14.452 1.00 0.00 C ATOM 100 CG LEU A 61 10.277 -10.979 -15.354 1.00 0.00 C ATOM 101 CD1 LEU A 61 10.521 -9.700 -14.551 1.00 0.00 C ATOM 102 CD2 LEU A 61 11.524 -11.420 -16.123 1.00 0.00 C ATOM 0 H LEU A 61 9.228 -12.185 -12.041 1.00 0.00 H new ATOM 0 HA LEU A 61 7.997 -10.968 -14.284 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.436 -12.197 -13.601 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.816 -13.040 -15.006 1.00 0.00 H new ATOM 0 HG LEU A 61 9.507 -10.754 -16.092 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.887 -8.917 -15.216 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.588 -9.377 -14.089 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.262 -9.893 -13.776 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.869 -10.603 -16.756 1.00 0.00 H new ATOM 0 HD22 LEU A 61 12.310 -11.689 -15.418 1.00 0.00 H new ATOM 0 HD23 LEU A 61 11.282 -12.283 -16.744 1.00 0.00 H new ATOM 114 N SER A 62 6.479 -12.530 -15.339 1.00 0.00 N ATOM 115 CA SER A 62 5.488 -13.413 -15.931 1.00 0.00 C ATOM 116 C SER A 62 6.008 -13.966 -17.259 1.00 0.00 C ATOM 117 O SER A 62 6.892 -13.377 -17.878 1.00 0.00 O ATOM 118 CB SER A 62 4.159 -12.685 -16.143 1.00 0.00 C ATOM 119 OG SER A 62 4.213 -11.786 -17.247 1.00 0.00 O ATOM 0 H SER A 62 6.433 -11.562 -15.658 1.00 0.00 H new ATOM 0 HA SER A 62 5.312 -14.241 -15.244 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.368 -13.416 -16.309 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.899 -12.134 -15.239 1.00 0.00 H new ATOM 0 HG SER A 62 3.345 -11.342 -17.350 1.00 0.00 H new ATOM 125 N PRO A 63 5.421 -15.123 -17.669 1.00 0.00 N ATOM 126 CA PRO A 63 5.816 -15.762 -18.913 1.00 0.00 C ATOM 127 C PRO A 63 5.253 -15.009 -20.119 1.00 0.00 C ATOM 128 O PRO A 63 4.462 -14.080 -19.962 1.00 0.00 O ATOM 129 CB PRO A 63 5.294 -17.186 -18.805 1.00 0.00 C ATOM 130 CG PRO A 63 4.232 -17.160 -17.719 1.00 0.00 C ATOM 131 CD PRO A 63 4.371 -15.849 -16.962 1.00 0.00 C ATOM 0 HA PRO A 63 6.895 -15.757 -19.065 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.874 -17.521 -19.754 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.097 -17.878 -18.550 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.237 -17.245 -18.156 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.356 -18.006 -17.043 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.435 -15.291 -16.962 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.641 -16.020 -15.920 1.00 0.00 H new ATOM 279 N LEU B 406 -15.096 1.591 -29.446 1.00 0.00 N ATOM 280 CA LEU B 406 -14.495 0.994 -28.265 1.00 0.00 C ATOM 281 C LEU B 406 -14.255 -0.496 -28.518 1.00 0.00 C ATOM 282 O LEU B 406 -14.862 -1.083 -29.412 1.00 0.00 O ATOM 283 CB LEU B 406 -15.350 1.277 -27.028 1.00 0.00 C ATOM 284 CG LEU B 406 -16.135 0.089 -26.469 1.00 0.00 C ATOM 285 CD1 LEU B 406 -16.509 0.320 -25.003 1.00 0.00 C ATOM 286 CD2 LEU B 406 -17.361 -0.213 -27.333 1.00 0.00 C ATOM 0 HA LEU B 406 -13.523 1.444 -28.063 1.00 0.00 H new ATOM 0 HB2 LEU B 406 -14.700 1.660 -26.241 1.00 0.00 H new ATOM 0 HB3 LEU B 406 -16.056 2.071 -27.273 1.00 0.00 H new ATOM 0 HG LEU B 406 -15.493 -0.791 -26.502 1.00 0.00 H new ATOM 0 HD11 LEU B 406 -17.066 -0.539 -24.630 1.00 0.00 H new ATOM 0 HD12 LEU B 406 -15.602 0.449 -24.412 1.00 0.00 H new ATOM 0 HD13 LEU B 406 -17.125 1.215 -24.921 1.00 0.00 H new ATOM 0 HD21 LEU B 406 -17.901 -1.062 -26.914 1.00 0.00 H new ATOM 0 HD22 LEU B 406 -18.015 0.659 -27.354 1.00 0.00 H new ATOM 0 HD23 LEU B 406 -17.041 -0.452 -28.347 1.00 0.00 H new ATOM 298 N PRO B 407 -13.344 -1.079 -27.694 1.00 0.00 N ATOM 299 CA PRO B 407 -13.015 -2.488 -27.819 1.00 0.00 C ATOM 300 C PRO B 407 -14.136 -3.365 -27.258 1.00 0.00 C ATOM 301 O PRO B 407 -14.661 -3.092 -26.180 1.00 0.00 O ATOM 302 CB PRO B 407 -11.701 -2.654 -27.074 1.00 0.00 C ATOM 303 CG PRO B 407 -11.579 -1.439 -26.169 1.00 0.00 C ATOM 304 CD PRO B 407 -12.605 -0.414 -26.624 1.00 0.00 C ATOM 0 HA PRO B 407 -12.911 -2.805 -28.857 1.00 0.00 H new ATOM 0 HB2 PRO B 407 -11.695 -3.576 -26.493 1.00 0.00 H new ATOM 0 HB3 PRO B 407 -10.863 -2.710 -27.768 1.00 0.00 H new ATOM 0 HG2 PRO B 407 -11.753 -1.718 -25.130 1.00 0.00 H new ATOM 0 HG3 PRO B 407 -10.573 -1.022 -26.223 1.00 0.00 H new ATOM 0 HD2 PRO B 407 -13.266 -0.125 -25.807 1.00 0.00 H new ATOM 0 HD3 PRO B 407 -12.124 0.496 -26.982 1.00 0.00 H new ATOM 312 N PRO B 408 -14.478 -4.428 -28.034 1.00 0.00 N ATOM 313 CA PRO B 408 -15.526 -5.347 -27.624 1.00 0.00 C ATOM 314 C PRO B 408 -15.039 -6.274 -26.509 1.00 0.00 C ATOM 315 O PRO B 408 -13.873 -6.667 -26.488 1.00 0.00 O ATOM 316 CB PRO B 408 -15.912 -6.094 -28.891 1.00 0.00 C ATOM 317 CG PRO B 408 -14.754 -5.900 -29.857 1.00 0.00 C ATOM 318 CD PRO B 408 -13.877 -4.783 -29.316 1.00 0.00 C ATOM 0 HA PRO B 408 -16.390 -4.836 -27.199 1.00 0.00 H new ATOM 0 HB2 PRO B 408 -16.077 -7.152 -28.686 1.00 0.00 H new ATOM 0 HB3 PRO B 408 -16.839 -5.702 -29.309 1.00 0.00 H new ATOM 0 HG2 PRO B 408 -14.181 -6.822 -29.955 1.00 0.00 H new ATOM 0 HG3 PRO B 408 -15.124 -5.647 -30.851 1.00 0.00 H new ATOM 0 HD2 PRO B 408 -12.846 -5.114 -29.192 1.00 0.00 H new ATOM 0 HD3 PRO B 408 -13.859 -3.930 -29.994 1.00 0.00 H new ATOM 326 N GLY B 409 -15.955 -6.596 -25.608 1.00 0.00 N ATOM 327 CA GLY B 409 -15.633 -7.469 -24.492 1.00 0.00 C ATOM 328 C GLY B 409 -15.083 -6.669 -23.310 1.00 0.00 C ATOM 329 O GLY B 409 -15.126 -7.129 -22.170 1.00 0.00 O ATOM 0 H GLY B 409 -16.921 -6.268 -25.628 1.00 0.00 H new ATOM 0 HA2 GLY B 409 -16.525 -8.014 -24.183 1.00 0.00 H new ATOM 0 HA3 GLY B 409 -14.899 -8.211 -24.806 1.00 0.00 H new ATOM 333 N PHE B 410 -14.579 -5.484 -23.623 1.00 0.00 N ATOM 334 CA PHE B 410 -14.022 -4.615 -22.601 1.00 0.00 C ATOM 335 C PHE B 410 -14.823 -4.712 -21.301 1.00 0.00 C ATOM 336 O PHE B 410 -16.036 -4.913 -21.329 1.00 0.00 O ATOM 337 CB PHE B 410 -14.110 -3.183 -23.134 1.00 0.00 C ATOM 338 CG PHE B 410 -14.052 -2.109 -22.046 1.00 0.00 C ATOM 339 CD1 PHE B 410 -12.856 -1.748 -21.509 1.00 0.00 C ATOM 340 CD2 PHE B 410 -15.198 -1.516 -21.615 1.00 0.00 C ATOM 341 CE1 PHE B 410 -12.803 -0.751 -20.499 1.00 0.00 C ATOM 342 CE2 PHE B 410 -15.145 -0.519 -20.605 1.00 0.00 C ATOM 343 CZ PHE B 410 -13.949 -0.158 -20.069 1.00 0.00 C ATOM 0 H PHE B 410 -14.545 -5.106 -24.570 1.00 0.00 H new ATOM 0 HA PHE B 410 -12.994 -4.907 -22.386 1.00 0.00 H new ATOM 0 HB2 PHE B 410 -13.294 -3.017 -23.837 1.00 0.00 H new ATOM 0 HB3 PHE B 410 -15.040 -3.070 -23.692 1.00 0.00 H new ATOM 0 HD1 PHE B 410 -11.946 -2.219 -21.851 1.00 0.00 H new ATOM 0 HD2 PHE B 410 -16.148 -1.803 -22.041 1.00 0.00 H new ATOM 0 HE1 PHE B 410 -11.853 -0.464 -20.073 1.00 0.00 H new ATOM 0 HE2 PHE B 410 -16.055 -0.048 -20.263 1.00 0.00 H new ATOM 0 HZ PHE B 410 -13.909 0.600 -19.301 1.00 0.00 H new ATOM 353 N MET B 411 -14.112 -4.566 -20.192 1.00 0.00 N ATOM 354 CA MET B 411 -14.742 -4.634 -18.885 1.00 0.00 C ATOM 355 C MET B 411 -14.798 -3.252 -18.231 1.00 0.00 C ATOM 356 O MET B 411 -15.874 -2.674 -18.084 1.00 0.00 O ATOM 357 CB MET B 411 -13.954 -5.592 -17.988 1.00 0.00 C ATOM 358 CG MET B 411 -13.817 -6.968 -18.643 1.00 0.00 C ATOM 359 SD MET B 411 -13.376 -8.187 -17.415 1.00 0.00 S ATOM 360 CE MET B 411 -11.943 -8.908 -18.196 1.00 0.00 C ATOM 0 H MET B 411 -13.106 -4.401 -20.172 1.00 0.00 H new ATOM 0 HA MET B 411 -15.762 -4.997 -19.012 1.00 0.00 H new ATOM 0 HB2 MET B 411 -12.965 -5.179 -17.790 1.00 0.00 H new ATOM 0 HB3 MET B 411 -14.457 -5.692 -17.026 1.00 0.00 H new ATOM 0 HG2 MET B 411 -14.755 -7.246 -19.123 1.00 0.00 H new ATOM 0 HG3 MET B 411 -13.057 -6.934 -19.424 1.00 0.00 H new ATOM 0 HE1 MET B 411 -12.183 -9.915 -18.538 1.00 0.00 H new ATOM 0 HE2 MET B 411 -11.646 -8.296 -19.048 1.00 0.00 H new ATOM 0 HE3 MET B 411 -11.123 -8.954 -17.480 1.00 0.00 H new ATOM 370 N PHE B 412 -13.626 -2.762 -17.855 1.00 0.00 N ATOM 371 CA PHE B 412 -13.528 -1.460 -17.219 1.00 0.00 C ATOM 372 C PHE B 412 -12.121 -0.880 -17.370 1.00 0.00 C ATOM 373 O PHE B 412 -11.249 -1.505 -17.971 1.00 0.00 O ATOM 374 CB PHE B 412 -13.826 -1.665 -15.732 1.00 0.00 C ATOM 375 CG PHE B 412 -13.033 -2.805 -15.090 1.00 0.00 C ATOM 376 CD1 PHE B 412 -11.805 -2.563 -14.557 1.00 0.00 C ATOM 377 CD2 PHE B 412 -13.556 -4.060 -15.052 1.00 0.00 C ATOM 378 CE1 PHE B 412 -11.069 -3.621 -13.962 1.00 0.00 C ATOM 379 CE2 PHE B 412 -12.820 -5.118 -14.457 1.00 0.00 C ATOM 380 CZ PHE B 412 -11.592 -4.876 -13.924 1.00 0.00 C ATOM 0 H PHE B 412 -12.736 -3.244 -17.979 1.00 0.00 H new ATOM 0 HA PHE B 412 -14.229 -0.766 -17.683 1.00 0.00 H new ATOM 0 HB2 PHE B 412 -13.610 -0.740 -15.198 1.00 0.00 H new ATOM 0 HB3 PHE B 412 -14.891 -1.863 -15.609 1.00 0.00 H new ATOM 0 HD1 PHE B 412 -11.390 -1.566 -14.587 1.00 0.00 H new ATOM 0 HD2 PHE B 412 -14.531 -4.252 -15.475 1.00 0.00 H new ATOM 0 HE1 PHE B 412 -10.094 -3.429 -13.539 1.00 0.00 H new ATOM 0 HE2 PHE B 412 -13.235 -6.115 -14.427 1.00 0.00 H new ATOM 0 HZ PHE B 412 -11.032 -5.681 -13.471 1.00 0.00 H new ATOM 390 N LYS B 413 -11.943 0.310 -16.813 1.00 0.00 N ATOM 391 CA LYS B 413 -10.656 0.981 -16.879 1.00 0.00 C ATOM 392 C LYS B 413 -9.942 0.839 -15.534 1.00 0.00 C ATOM 393 O LYS B 413 -10.584 0.818 -14.485 1.00 0.00 O ATOM 394 CB LYS B 413 -10.831 2.432 -17.332 1.00 0.00 C ATOM 395 CG LYS B 413 -9.539 2.976 -17.944 1.00 0.00 C ATOM 396 CD LYS B 413 -9.239 4.386 -17.430 1.00 0.00 C ATOM 397 CE LYS B 413 -8.314 4.341 -16.213 1.00 0.00 C ATOM 398 NZ LYS B 413 -8.552 5.510 -15.337 1.00 0.00 N ATOM 0 H LYS B 413 -12.668 0.826 -16.315 1.00 0.00 H new ATOM 0 HA LYS B 413 -10.020 0.511 -17.629 1.00 0.00 H new ATOM 0 HB2 LYS B 413 -11.638 2.494 -18.063 1.00 0.00 H new ATOM 0 HB3 LYS B 413 -11.123 3.049 -16.482 1.00 0.00 H new ATOM 0 HG2 LYS B 413 -8.709 2.312 -17.700 1.00 0.00 H new ATOM 0 HG3 LYS B 413 -9.626 2.992 -19.030 1.00 0.00 H new ATOM 0 HD2 LYS B 413 -8.776 4.974 -18.222 1.00 0.00 H new ATOM 0 HD3 LYS B 413 -10.171 4.886 -17.165 1.00 0.00 H new ATOM 0 HE2 LYS B 413 -8.483 3.420 -15.654 1.00 0.00 H new ATOM 0 HE3 LYS B 413 -7.274 4.330 -16.540 1.00 0.00 H new ATOM 0 HZ1 LYS B 413 -7.940 5.446 -14.499 1.00 0.00 H new ATOM 0 HZ2 LYS B 413 -8.336 6.384 -15.858 1.00 0.00 H new ATOM 0 HZ3 LYS B 413 -9.548 5.523 -15.038 1.00 0.00 H new ATOM 412 N VAL B 414 -8.622 0.745 -15.607 1.00 0.00 N ATOM 413 CA VAL B 414 -7.814 0.603 -14.408 1.00 0.00 C ATOM 414 C VAL B 414 -6.749 1.701 -14.383 1.00 0.00 C ATOM 415 O VAL B 414 -6.531 2.382 -15.384 1.00 0.00 O ATOM 416 CB VAL B 414 -7.221 -0.806 -14.340 1.00 0.00 C ATOM 417 CG1 VAL B 414 -8.268 -1.859 -14.709 1.00 0.00 C ATOM 418 CG2 VAL B 414 -5.985 -0.924 -15.233 1.00 0.00 C ATOM 0 H VAL B 414 -8.092 0.764 -16.478 1.00 0.00 H new ATOM 0 HA VAL B 414 -8.429 0.726 -13.517 1.00 0.00 H new ATOM 0 HB VAL B 414 -6.909 -0.990 -13.312 1.00 0.00 H new ATOM 0 HG11 VAL B 414 -7.821 -2.852 -14.653 1.00 0.00 H new ATOM 0 HG12 VAL B 414 -9.106 -1.798 -14.014 1.00 0.00 H new ATOM 0 HG13 VAL B 414 -8.624 -1.678 -15.723 1.00 0.00 H new ATOM 0 HG21 VAL B 414 -5.583 -1.935 -15.166 1.00 0.00 H new ATOM 0 HG22 VAL B 414 -6.261 -0.710 -16.266 1.00 0.00 H new ATOM 0 HG23 VAL B 414 -5.229 -0.211 -14.904 1.00 0.00 H new ATOM 428 N GLN B 415 -6.115 1.841 -13.228 1.00 0.00 N ATOM 429 CA GLN B 415 -5.078 2.845 -13.060 1.00 0.00 C ATOM 430 C GLN B 415 -3.865 2.241 -12.350 1.00 0.00 C ATOM 431 O GLN B 415 -3.999 1.643 -11.283 1.00 0.00 O ATOM 432 CB GLN B 415 -5.611 4.060 -12.298 1.00 0.00 C ATOM 433 CG GLN B 415 -4.476 5.020 -11.936 1.00 0.00 C ATOM 434 CD GLN B 415 -4.530 6.283 -12.798 1.00 0.00 C ATOM 435 OE1 GLN B 415 -5.478 7.050 -12.762 1.00 0.00 O ATOM 436 NE2 GLN B 415 -3.463 6.455 -13.573 1.00 0.00 N ATOM 0 H GLN B 415 -6.300 1.276 -12.399 1.00 0.00 H new ATOM 0 HA GLN B 415 -4.764 3.185 -14.047 1.00 0.00 H new ATOM 0 HB2 GLN B 415 -6.351 4.579 -12.906 1.00 0.00 H new ATOM 0 HB3 GLN B 415 -6.118 3.731 -11.391 1.00 0.00 H new ATOM 0 HG2 GLN B 415 -4.546 5.291 -10.883 1.00 0.00 H new ATOM 0 HG3 GLN B 415 -3.516 4.522 -12.074 1.00 0.00 H new ATOM 0 HE21 GLN B 415 -2.704 5.774 -13.554 1.00 0.00 H new ATOM 0 HE22 GLN B 415 -3.404 7.268 -14.186 1.00 0.00 H new ATOM 445 N ALA B 416 -2.708 2.418 -12.970 1.00 0.00 N ATOM 446 CA ALA B 416 -1.472 1.898 -12.411 1.00 0.00 C ATOM 447 C ALA B 416 -1.067 2.746 -11.203 1.00 0.00 C ATOM 448 O ALA B 416 -1.314 3.951 -11.175 1.00 0.00 O ATOM 449 CB ALA B 416 -0.392 1.874 -13.494 1.00 0.00 C ATOM 0 H ALA B 416 -2.600 2.914 -13.854 1.00 0.00 H new ATOM 0 HA ALA B 416 -1.609 0.874 -12.064 1.00 0.00 H new ATOM 0 HB1 ALA B 416 0.535 1.484 -13.075 1.00 0.00 H new ATOM 0 HB2 ALA B 416 -0.715 1.235 -14.316 1.00 0.00 H new ATOM 0 HB3 ALA B 416 -0.225 2.886 -13.864 1.00 0.00 H new ATOM 455 N GLN B 417 -0.452 2.083 -10.235 1.00 0.00 N ATOM 456 CA GLN B 417 -0.010 2.761 -9.028 1.00 0.00 C ATOM 457 C GLN B 417 1.514 2.695 -8.909 1.00 0.00 C ATOM 458 O GLN B 417 2.092 3.248 -7.975 1.00 0.00 O ATOM 459 CB GLN B 417 -0.683 2.167 -7.788 1.00 0.00 C ATOM 460 CG GLN B 417 -2.085 1.652 -8.120 1.00 0.00 C ATOM 461 CD GLN B 417 -2.805 1.172 -6.858 1.00 0.00 C ATOM 462 OE1 GLN B 417 -3.131 1.941 -5.968 1.00 0.00 O ATOM 463 NE2 GLN B 417 -3.034 -0.137 -6.830 1.00 0.00 N ATOM 0 H GLN B 417 -0.249 1.084 -10.262 1.00 0.00 H new ATOM 0 HA GLN B 417 -0.304 3.808 -9.095 1.00 0.00 H new ATOM 0 HB2 GLN B 417 -0.076 1.352 -7.395 1.00 0.00 H new ATOM 0 HB3 GLN B 417 -0.745 2.924 -7.006 1.00 0.00 H new ATOM 0 HG2 GLN B 417 -2.664 2.444 -8.595 1.00 0.00 H new ATOM 0 HG3 GLN B 417 -2.016 0.834 -8.837 1.00 0.00 H new ATOM 0 HE21 GLN B 417 -2.735 -0.724 -7.609 1.00 0.00 H new ATOM 0 HE22 GLN B 417 -3.509 -0.555 -6.030 1.00 0.00 H new ATOM 472 N HIS B 418 2.121 2.013 -9.869 1.00 0.00 N ATOM 473 CA HIS B 418 3.567 1.868 -9.884 1.00 0.00 C ATOM 474 C HIS B 418 4.072 1.914 -11.328 1.00 0.00 C ATOM 475 O HIS B 418 3.279 1.889 -12.268 1.00 0.00 O ATOM 476 CB HIS B 418 3.993 0.596 -9.147 1.00 0.00 C ATOM 477 CG HIS B 418 3.743 0.637 -7.658 1.00 0.00 C ATOM 478 ND1 HIS B 418 4.710 1.025 -6.747 1.00 0.00 N ATOM 479 CD2 HIS B 418 2.628 0.335 -6.933 1.00 0.00 C ATOM 480 CE1 HIS B 418 4.189 0.955 -5.530 1.00 0.00 C ATOM 481 NE2 HIS B 418 2.899 0.527 -5.648 1.00 0.00 N ATOM 0 H HIS B 418 1.638 1.555 -10.642 1.00 0.00 H new ATOM 0 HA HIS B 418 4.025 2.699 -9.349 1.00 0.00 H new ATOM 0 HB2 HIS B 418 3.459 -0.254 -9.572 1.00 0.00 H new ATOM 0 HB3 HIS B 418 5.055 0.425 -9.322 1.00 0.00 H new ATOM 0 HD2 HIS B 418 1.685 -0.003 -7.336 1.00 0.00 H new ATOM 0 HE1 HIS B 418 4.697 1.195 -4.607 1.00 0.00 H new ATOM 0 HE2 HIS B 418 2.250 0.379 -4.876 1.00 0.00 H new ATOM 489 N ASP B 419 5.389 1.980 -11.458 1.00 0.00 N ATOM 490 CA ASP B 419 6.010 2.029 -12.771 1.00 0.00 C ATOM 491 C ASP B 419 6.776 0.728 -13.017 1.00 0.00 C ATOM 492 O ASP B 419 7.877 0.545 -12.500 1.00 0.00 O ATOM 493 CB ASP B 419 7.003 3.189 -12.867 1.00 0.00 C ATOM 494 CG ASP B 419 8.259 3.037 -12.006 1.00 0.00 C ATOM 495 OD1 ASP B 419 8.088 2.795 -10.792 1.00 0.00 O ATOM 496 OD2 ASP B 419 9.361 3.167 -12.582 1.00 0.00 O ATOM 0 H ASP B 419 6.043 2.001 -10.676 1.00 0.00 H new ATOM 0 HA ASP B 419 5.223 2.166 -13.512 1.00 0.00 H new ATOM 0 HB2 ASP B 419 7.306 3.303 -13.908 1.00 0.00 H new ATOM 0 HB3 ASP B 419 6.493 4.109 -12.580 1.00 0.00 H new ATOM 501 N TYR B 420 6.163 -0.141 -13.807 1.00 0.00 N ATOM 502 CA TYR B 420 6.774 -1.420 -14.128 1.00 0.00 C ATOM 503 C TYR B 420 7.079 -1.523 -15.624 1.00 0.00 C ATOM 504 O TYR B 420 6.171 -1.463 -16.451 1.00 0.00 O ATOM 505 CB TYR B 420 5.740 -2.486 -13.756 1.00 0.00 C ATOM 506 CG TYR B 420 5.859 -3.778 -14.567 1.00 0.00 C ATOM 507 CD1 TYR B 420 6.818 -4.714 -14.237 1.00 0.00 C ATOM 508 CD2 TYR B 420 5.008 -4.006 -15.629 1.00 0.00 C ATOM 509 CE1 TYR B 420 6.930 -5.930 -15.000 1.00 0.00 C ATOM 510 CE2 TYR B 420 5.120 -5.222 -16.393 1.00 0.00 C ATOM 511 CZ TYR B 420 6.075 -6.124 -16.040 1.00 0.00 C ATOM 512 OH TYR B 420 6.181 -7.272 -16.761 1.00 0.00 O ATOM 0 H TYR B 420 5.250 0.015 -14.234 1.00 0.00 H new ATOM 0 HA TYR B 420 7.714 -1.542 -13.589 1.00 0.00 H new ATOM 0 HB2 TYR B 420 5.843 -2.723 -12.697 1.00 0.00 H new ATOM 0 HB3 TYR B 420 4.741 -2.073 -13.895 1.00 0.00 H new ATOM 0 HD1 TYR B 420 7.485 -4.534 -13.406 1.00 0.00 H new ATOM 0 HD2 TYR B 420 4.258 -3.273 -15.887 1.00 0.00 H new ATOM 0 HE1 TYR B 420 7.676 -6.671 -14.752 1.00 0.00 H new ATOM 0 HE2 TYR B 420 4.461 -5.413 -17.227 1.00 0.00 H new ATOM 0 HH TYR B 420 5.596 -7.957 -16.374 1.00 0.00 H new ATOM 522 N THR B 421 8.360 -1.675 -15.925 1.00 0.00 N ATOM 523 CA THR B 421 8.796 -1.787 -17.306 1.00 0.00 C ATOM 524 C THR B 421 8.696 -3.238 -17.781 1.00 0.00 C ATOM 525 O THR B 421 9.417 -4.106 -17.291 1.00 0.00 O ATOM 526 CB THR B 421 10.210 -1.212 -17.404 1.00 0.00 C ATOM 527 OG1 THR B 421 10.040 0.176 -17.131 1.00 0.00 O ATOM 528 CG2 THR B 421 10.759 -1.246 -18.832 1.00 0.00 C ATOM 0 H THR B 421 9.110 -1.723 -15.236 1.00 0.00 H new ATOM 0 HA THR B 421 8.150 -1.215 -17.972 1.00 0.00 H new ATOM 0 HB THR B 421 10.875 -1.771 -16.746 1.00 0.00 H new ATOM 0 HG1 THR B 421 10.909 0.626 -17.172 1.00 0.00 H new ATOM 0 HG21 THR B 421 11.765 -0.826 -18.845 1.00 0.00 H new ATOM 0 HG22 THR B 421 10.791 -2.277 -19.185 1.00 0.00 H new ATOM 0 HG23 THR B 421 10.113 -0.659 -19.484 1.00 0.00 H new ATOM 536 N ALA B 422 7.797 -3.457 -18.729 1.00 0.00 N ATOM 537 CA ALA B 422 7.594 -4.788 -19.275 1.00 0.00 C ATOM 538 C ALA B 422 8.049 -4.810 -20.735 1.00 0.00 C ATOM 539 O ALA B 422 7.474 -4.125 -21.579 1.00 0.00 O ATOM 540 CB ALA B 422 6.125 -5.186 -19.116 1.00 0.00 C ATOM 0 H ALA B 422 7.201 -2.735 -19.133 1.00 0.00 H new ATOM 0 HA ALA B 422 8.191 -5.521 -18.733 1.00 0.00 H new ATOM 0 HB1 ALA B 422 5.972 -6.185 -19.526 1.00 0.00 H new ATOM 0 HB2 ALA B 422 5.860 -5.183 -18.059 1.00 0.00 H new ATOM 0 HB3 ALA B 422 5.495 -4.474 -19.650 1.00 0.00 H new ATOM 546 N THR B 423 9.078 -5.605 -20.989 1.00 0.00 N ATOM 547 CA THR B 423 9.618 -5.725 -22.333 1.00 0.00 C ATOM 548 C THR B 423 9.537 -7.176 -22.812 1.00 0.00 C ATOM 549 O THR B 423 10.436 -7.972 -22.547 1.00 0.00 O ATOM 550 CB THR B 423 11.042 -5.167 -22.322 1.00 0.00 C ATOM 551 OG1 THR B 423 11.653 -5.798 -21.200 1.00 0.00 O ATOM 552 CG2 THR B 423 11.084 -3.677 -21.980 1.00 0.00 C ATOM 0 H THR B 423 9.552 -6.173 -20.287 1.00 0.00 H new ATOM 0 HA THR B 423 9.033 -5.146 -23.048 1.00 0.00 H new ATOM 0 HB THR B 423 11.503 -5.329 -23.296 1.00 0.00 H new ATOM 0 HG1 THR B 423 11.460 -6.759 -21.220 1.00 0.00 H new ATOM 0 HG21 THR B 423 12.118 -3.331 -21.986 1.00 0.00 H new ATOM 0 HG22 THR B 423 10.510 -3.118 -22.719 1.00 0.00 H new ATOM 0 HG23 THR B 423 10.654 -3.518 -20.991 1.00 0.00 H new ATOM 560 N ASP B 424 8.451 -7.476 -23.510 1.00 0.00 N ATOM 561 CA ASP B 424 8.241 -8.817 -24.028 1.00 0.00 C ATOM 562 C ASP B 424 7.598 -8.728 -25.414 1.00 0.00 C ATOM 563 O ASP B 424 7.420 -7.636 -25.951 1.00 0.00 O ATOM 564 CB ASP B 424 7.302 -9.616 -23.122 1.00 0.00 C ATOM 565 CG ASP B 424 7.586 -11.119 -23.063 1.00 0.00 C ATOM 566 OD1 ASP B 424 8.785 -11.469 -23.028 1.00 0.00 O ATOM 567 OD2 ASP B 424 6.596 -11.883 -23.053 1.00 0.00 O ATOM 0 H ASP B 424 7.707 -6.813 -23.729 1.00 0.00 H new ATOM 0 HA ASP B 424 9.209 -9.316 -24.075 1.00 0.00 H new ATOM 0 HB2 ASP B 424 7.363 -9.210 -22.112 1.00 0.00 H new ATOM 0 HB3 ASP B 424 6.278 -9.468 -23.464 1.00 0.00 H new ATOM 572 N THR B 425 7.268 -9.893 -25.954 1.00 0.00 N ATOM 573 CA THR B 425 6.649 -9.960 -27.266 1.00 0.00 C ATOM 574 C THR B 425 5.174 -9.564 -27.181 1.00 0.00 C ATOM 575 O THR B 425 4.548 -9.268 -28.198 1.00 0.00 O ATOM 576 CB THR B 425 6.869 -11.370 -27.820 1.00 0.00 C ATOM 577 OG1 THR B 425 6.310 -11.319 -29.130 1.00 0.00 O ATOM 578 CG2 THR B 425 6.026 -12.421 -27.096 1.00 0.00 C ATOM 0 H THR B 425 7.418 -10.797 -25.506 1.00 0.00 H new ATOM 0 HA THR B 425 7.104 -9.249 -27.955 1.00 0.00 H new ATOM 0 HB THR B 425 7.924 -11.632 -27.739 1.00 0.00 H new ATOM 0 HG1 THR B 425 5.644 -10.601 -29.174 1.00 0.00 H new ATOM 0 HG21 THR B 425 6.220 -13.403 -27.528 1.00 0.00 H new ATOM 0 HG22 THR B 425 6.288 -12.432 -26.038 1.00 0.00 H new ATOM 0 HG23 THR B 425 4.969 -12.178 -27.206 1.00 0.00 H new ATOM 586 N ASP B 426 4.662 -9.572 -25.960 1.00 0.00 N ATOM 587 CA ASP B 426 3.271 -9.218 -25.729 1.00 0.00 C ATOM 588 C ASP B 426 3.110 -8.708 -24.295 1.00 0.00 C ATOM 589 O ASP B 426 2.156 -9.068 -23.608 1.00 0.00 O ATOM 590 CB ASP B 426 2.358 -10.433 -25.904 1.00 0.00 C ATOM 591 CG ASP B 426 0.964 -10.120 -26.452 1.00 0.00 C ATOM 592 OD1 ASP B 426 0.887 -9.796 -27.657 1.00 0.00 O ATOM 593 OD2 ASP B 426 0.006 -10.212 -25.653 1.00 0.00 O ATOM 0 H ASP B 426 5.185 -9.818 -25.119 1.00 0.00 H new ATOM 0 HA ASP B 426 2.993 -8.451 -26.452 1.00 0.00 H new ATOM 0 HB2 ASP B 426 2.845 -11.141 -26.574 1.00 0.00 H new ATOM 0 HB3 ASP B 426 2.250 -10.930 -24.940 1.00 0.00 H new ATOM 598 N GLU B 427 4.059 -7.878 -23.887 1.00 0.00 N ATOM 599 CA GLU B 427 4.034 -7.314 -22.548 1.00 0.00 C ATOM 600 C GLU B 427 3.326 -5.958 -22.555 1.00 0.00 C ATOM 601 O GLU B 427 3.178 -5.337 -23.607 1.00 0.00 O ATOM 602 CB GLU B 427 5.449 -7.191 -21.978 1.00 0.00 C ATOM 603 CG GLU B 427 5.559 -7.897 -20.626 1.00 0.00 C ATOM 604 CD GLU B 427 4.969 -9.307 -20.693 1.00 0.00 C ATOM 605 OE1 GLU B 427 5.716 -10.216 -21.116 1.00 0.00 O ATOM 606 OE2 GLU B 427 3.783 -9.444 -20.321 1.00 0.00 O ATOM 0 H GLU B 427 4.850 -7.583 -24.460 1.00 0.00 H new ATOM 0 HA GLU B 427 3.475 -7.990 -21.901 1.00 0.00 H new ATOM 0 HB2 GLU B 427 6.165 -7.623 -22.677 1.00 0.00 H new ATOM 0 HB3 GLU B 427 5.709 -6.139 -21.865 1.00 0.00 H new ATOM 0 HG2 GLU B 427 6.605 -7.951 -20.324 1.00 0.00 H new ATOM 0 HG3 GLU B 427 5.037 -7.316 -19.865 1.00 0.00 H new ATOM 613 N LEU B 428 2.906 -5.539 -21.371 1.00 0.00 N ATOM 614 CA LEU B 428 2.216 -4.268 -21.228 1.00 0.00 C ATOM 615 C LEU B 428 2.965 -3.397 -20.217 1.00 0.00 C ATOM 616 O LEU B 428 3.016 -3.721 -19.031 1.00 0.00 O ATOM 617 CB LEU B 428 0.745 -4.493 -20.875 1.00 0.00 C ATOM 618 CG LEU B 428 -0.244 -3.466 -21.431 1.00 0.00 C ATOM 619 CD1 LEU B 428 -0.613 -3.790 -22.880 1.00 0.00 C ATOM 620 CD2 LEU B 428 -1.479 -3.354 -20.536 1.00 0.00 C ATOM 0 H LEU B 428 3.030 -6.057 -20.501 1.00 0.00 H new ATOM 0 HA LEU B 428 2.213 -3.728 -22.175 1.00 0.00 H new ATOM 0 HB2 LEU B 428 0.453 -5.480 -21.234 1.00 0.00 H new ATOM 0 HB3 LEU B 428 0.651 -4.508 -19.789 1.00 0.00 H new ATOM 0 HG LEU B 428 0.241 -2.490 -21.433 1.00 0.00 H new ATOM 0 HD11 LEU B 428 -1.317 -3.045 -23.251 1.00 0.00 H new ATOM 0 HD12 LEU B 428 0.286 -3.778 -23.496 1.00 0.00 H new ATOM 0 HD13 LEU B 428 -1.072 -4.778 -22.927 1.00 0.00 H new ATOM 0 HD21 LEU B 428 -2.166 -2.618 -20.954 1.00 0.00 H new ATOM 0 HD22 LEU B 428 -1.976 -4.322 -20.479 1.00 0.00 H new ATOM 0 HD23 LEU B 428 -1.177 -3.042 -19.536 1.00 0.00 H new ATOM 632 N GLN B 429 3.528 -2.310 -20.723 1.00 0.00 N ATOM 633 CA GLN B 429 4.270 -1.389 -19.879 1.00 0.00 C ATOM 634 C GLN B 429 3.308 -0.514 -19.073 1.00 0.00 C ATOM 635 O GLN B 429 2.312 -0.028 -19.606 1.00 0.00 O ATOM 636 CB GLN B 429 5.226 -0.531 -20.711 1.00 0.00 C ATOM 637 CG GLN B 429 6.385 -0.016 -19.856 1.00 0.00 C ATOM 638 CD GLN B 429 7.667 0.099 -20.683 1.00 0.00 C ATOM 639 OE1 GLN B 429 8.214 1.171 -20.882 1.00 0.00 O ATOM 640 NE2 GLN B 429 8.115 -1.063 -21.151 1.00 0.00 N ATOM 0 H GLN B 429 3.485 -2.046 -21.707 1.00 0.00 H new ATOM 0 HA GLN B 429 4.871 -1.971 -19.181 1.00 0.00 H new ATOM 0 HB2 GLN B 429 5.616 -1.117 -21.543 1.00 0.00 H new ATOM 0 HB3 GLN B 429 4.684 0.311 -21.141 1.00 0.00 H new ATOM 0 HG2 GLN B 429 6.129 0.958 -19.438 1.00 0.00 H new ATOM 0 HG3 GLN B 429 6.549 -0.690 -19.016 1.00 0.00 H new ATOM 0 HE21 GLN B 429 7.608 -1.924 -20.947 1.00 0.00 H new ATOM 0 HE22 GLN B 429 8.965 -1.092 -21.714 1.00 0.00 H new ATOM 649 N LEU B 430 3.640 -0.341 -17.802 1.00 0.00 N ATOM 650 CA LEU B 430 2.817 0.467 -16.918 1.00 0.00 C ATOM 651 C LEU B 430 3.699 1.494 -16.206 1.00 0.00 C ATOM 652 O LEU B 430 4.820 1.184 -15.805 1.00 0.00 O ATOM 653 CB LEU B 430 2.020 -0.425 -15.964 1.00 0.00 C ATOM 654 CG LEU B 430 0.608 -0.800 -16.419 1.00 0.00 C ATOM 655 CD1 LEU B 430 -0.334 0.402 -16.330 1.00 0.00 C ATOM 656 CD2 LEU B 430 0.628 -1.409 -17.822 1.00 0.00 C ATOM 0 H LEU B 430 4.467 -0.746 -17.364 1.00 0.00 H new ATOM 0 HA LEU B 430 2.076 1.024 -17.491 1.00 0.00 H new ATOM 0 HB2 LEU B 430 2.584 -1.344 -15.801 1.00 0.00 H new ATOM 0 HB3 LEU B 430 1.948 0.080 -15.001 1.00 0.00 H new ATOM 0 HG LEU B 430 0.222 -1.562 -15.742 1.00 0.00 H new ATOM 0 HD11 LEU B 430 -1.331 0.108 -16.659 1.00 0.00 H new ATOM 0 HD12 LEU B 430 -0.381 0.752 -15.299 1.00 0.00 H new ATOM 0 HD13 LEU B 430 0.037 1.203 -16.969 1.00 0.00 H new ATOM 0 HD21 LEU B 430 -0.388 -1.667 -18.121 1.00 0.00 H new ATOM 0 HD22 LEU B 430 1.042 -0.687 -18.526 1.00 0.00 H new ATOM 0 HD23 LEU B 430 1.245 -2.308 -17.820 1.00 0.00 H new ATOM 668 N LYS B 431 3.160 2.697 -16.070 1.00 0.00 N ATOM 669 CA LYS B 431 3.884 3.772 -15.412 1.00 0.00 C ATOM 670 C LYS B 431 3.051 4.301 -14.243 1.00 0.00 C ATOM 671 O LYS B 431 1.890 4.669 -14.420 1.00 0.00 O ATOM 672 CB LYS B 431 4.278 4.850 -16.424 1.00 0.00 C ATOM 673 CG LYS B 431 3.041 5.556 -16.983 1.00 0.00 C ATOM 674 CD LYS B 431 2.976 5.423 -18.506 1.00 0.00 C ATOM 675 CE LYS B 431 1.659 5.983 -19.048 1.00 0.00 C ATOM 676 NZ LYS B 431 1.883 7.290 -19.705 1.00 0.00 N ATOM 0 H LYS B 431 2.230 2.951 -16.404 1.00 0.00 H new ATOM 0 HA LYS B 431 4.820 3.401 -14.995 1.00 0.00 H new ATOM 0 HB2 LYS B 431 4.933 5.579 -15.947 1.00 0.00 H new ATOM 0 HB3 LYS B 431 4.843 4.399 -17.240 1.00 0.00 H new ATOM 0 HG2 LYS B 431 2.142 5.129 -16.538 1.00 0.00 H new ATOM 0 HG3 LYS B 431 3.064 6.610 -16.707 1.00 0.00 H new ATOM 0 HD2 LYS B 431 3.814 5.954 -18.957 1.00 0.00 H new ATOM 0 HD3 LYS B 431 3.073 4.375 -18.788 1.00 0.00 H new ATOM 0 HE2 LYS B 431 1.224 5.281 -19.760 1.00 0.00 H new ATOM 0 HE3 LYS B 431 0.943 6.096 -18.234 1.00 0.00 H new ATOM 0 HZ1 LYS B 431 0.979 7.656 -20.067 1.00 0.00 H new ATOM 0 HZ2 LYS B 431 2.277 7.962 -19.016 1.00 0.00 H new ATOM 0 HZ3 LYS B 431 2.550 7.172 -20.494 1.00 0.00 H new ATOM 690 N ALA B 432 3.675 4.322 -13.075 1.00 0.00 N ATOM 691 CA ALA B 432 3.006 4.801 -11.877 1.00 0.00 C ATOM 692 C ALA B 432 2.050 5.935 -12.251 1.00 0.00 C ATOM 693 O ALA B 432 2.470 7.080 -12.408 1.00 0.00 O ATOM 694 CB ALA B 432 4.051 5.235 -10.847 1.00 0.00 C ATOM 0 H ALA B 432 4.637 4.015 -12.932 1.00 0.00 H new ATOM 0 HA ALA B 432 2.413 4.006 -11.425 1.00 0.00 H new ATOM 0 HB1 ALA B 432 3.549 5.594 -9.949 1.00 0.00 H new ATOM 0 HB2 ALA B 432 4.686 4.386 -10.593 1.00 0.00 H new ATOM 0 HB3 ALA B 432 4.663 6.034 -11.265 1.00 0.00 H new ATOM 700 N GLY B 433 0.781 5.577 -12.383 1.00 0.00 N ATOM 701 CA GLY B 433 -0.239 6.551 -12.735 1.00 0.00 C ATOM 702 C GLY B 433 -0.599 6.456 -14.219 1.00 0.00 C ATOM 703 O GLY B 433 -0.653 7.470 -14.914 1.00 0.00 O ATOM 0 H GLY B 433 0.436 4.626 -12.253 1.00 0.00 H new ATOM 0 HA2 GLY B 433 -1.130 6.385 -12.130 1.00 0.00 H new ATOM 0 HA3 GLY B 433 0.118 7.555 -12.507 1.00 0.00 H new ATOM 707 N ASP B 434 -0.836 5.230 -14.660 1.00 0.00 N ATOM 708 CA ASP B 434 -1.188 4.989 -16.049 1.00 0.00 C ATOM 709 C ASP B 434 -2.657 4.570 -16.134 1.00 0.00 C ATOM 710 O ASP B 434 -3.285 4.287 -15.114 1.00 0.00 O ATOM 711 CB ASP B 434 -0.340 3.864 -16.646 1.00 0.00 C ATOM 712 CG ASP B 434 -0.140 3.939 -18.161 1.00 0.00 C ATOM 713 OD1 ASP B 434 -1.034 4.507 -18.824 1.00 0.00 O ATOM 714 OD2 ASP B 434 0.903 3.425 -18.621 1.00 0.00 O ATOM 0 H ASP B 434 -0.791 4.392 -14.080 1.00 0.00 H new ATOM 0 HA ASP B 434 -1.009 5.909 -16.606 1.00 0.00 H new ATOM 0 HB2 ASP B 434 0.638 3.872 -16.165 1.00 0.00 H new ATOM 0 HB3 ASP B 434 -0.807 2.909 -16.403 1.00 0.00 H new ATOM 719 N VAL B 435 -3.162 4.542 -17.358 1.00 0.00 N ATOM 720 CA VAL B 435 -4.545 4.162 -17.589 1.00 0.00 C ATOM 721 C VAL B 435 -4.587 2.937 -18.505 1.00 0.00 C ATOM 722 O VAL B 435 -4.067 2.973 -19.619 1.00 0.00 O ATOM 723 CB VAL B 435 -5.329 5.352 -18.145 1.00 0.00 C ATOM 724 CG1 VAL B 435 -5.832 6.254 -17.016 1.00 0.00 C ATOM 725 CG2 VAL B 435 -4.486 6.144 -19.146 1.00 0.00 C ATOM 0 H VAL B 435 -2.638 4.776 -18.201 1.00 0.00 H new ATOM 0 HA VAL B 435 -5.026 3.883 -16.651 1.00 0.00 H new ATOM 0 HB VAL B 435 -6.199 4.962 -18.674 1.00 0.00 H new ATOM 0 HG11 VAL B 435 -6.386 7.092 -17.439 1.00 0.00 H new ATOM 0 HG12 VAL B 435 -6.486 5.682 -16.357 1.00 0.00 H new ATOM 0 HG13 VAL B 435 -4.983 6.631 -16.446 1.00 0.00 H new ATOM 0 HG21 VAL B 435 -5.067 6.984 -19.526 1.00 0.00 H new ATOM 0 HG22 VAL B 435 -3.589 6.517 -18.652 1.00 0.00 H new ATOM 0 HG23 VAL B 435 -4.201 5.496 -19.975 1.00 0.00 H new ATOM 735 N VAL B 436 -5.210 1.882 -18.001 1.00 0.00 N ATOM 736 CA VAL B 436 -5.327 0.649 -18.760 1.00 0.00 C ATOM 737 C VAL B 436 -6.781 0.173 -18.731 1.00 0.00 C ATOM 738 O VAL B 436 -7.496 0.409 -17.758 1.00 0.00 O ATOM 739 CB VAL B 436 -4.347 -0.394 -18.220 1.00 0.00 C ATOM 740 CG1 VAL B 436 -4.359 -1.657 -19.083 1.00 0.00 C ATOM 741 CG2 VAL B 436 -2.934 0.185 -18.114 1.00 0.00 C ATOM 0 H VAL B 436 -5.639 1.856 -17.076 1.00 0.00 H new ATOM 0 HA VAL B 436 -5.060 0.817 -19.803 1.00 0.00 H new ATOM 0 HB VAL B 436 -4.672 -0.671 -17.217 1.00 0.00 H new ATOM 0 HG11 VAL B 436 -3.654 -2.382 -18.677 1.00 0.00 H new ATOM 0 HG12 VAL B 436 -5.361 -2.087 -19.085 1.00 0.00 H new ATOM 0 HG13 VAL B 436 -4.071 -1.403 -20.103 1.00 0.00 H new ATOM 0 HG21 VAL B 436 -2.257 -0.577 -17.728 1.00 0.00 H new ATOM 0 HG22 VAL B 436 -2.597 0.504 -19.100 1.00 0.00 H new ATOM 0 HG23 VAL B 436 -2.941 1.041 -17.439 1.00 0.00 H new ATOM 751 N LEU B 437 -7.176 -0.487 -19.810 1.00 0.00 N ATOM 752 CA LEU B 437 -8.532 -0.997 -19.921 1.00 0.00 C ATOM 753 C LEU B 437 -8.507 -2.524 -19.833 1.00 0.00 C ATOM 754 O LEU B 437 -7.801 -3.182 -20.595 1.00 0.00 O ATOM 755 CB LEU B 437 -9.202 -0.465 -21.189 1.00 0.00 C ATOM 756 CG LEU B 437 -8.354 0.468 -22.055 1.00 0.00 C ATOM 757 CD1 LEU B 437 -9.052 0.769 -23.383 1.00 0.00 C ATOM 758 CD2 LEU B 437 -7.993 1.745 -21.295 1.00 0.00 C ATOM 0 H LEU B 437 -6.580 -0.680 -20.615 1.00 0.00 H new ATOM 0 HA LEU B 437 -9.142 -0.640 -19.092 1.00 0.00 H new ATOM 0 HB2 LEU B 437 -9.508 -1.315 -21.798 1.00 0.00 H new ATOM 0 HB3 LEU B 437 -10.110 0.064 -20.901 1.00 0.00 H new ATOM 0 HG LEU B 437 -7.419 -0.041 -22.291 1.00 0.00 H new ATOM 0 HD11 LEU B 437 -8.428 1.434 -23.979 1.00 0.00 H new ATOM 0 HD12 LEU B 437 -9.215 -0.161 -23.928 1.00 0.00 H new ATOM 0 HD13 LEU B 437 -10.011 1.249 -23.189 1.00 0.00 H new ATOM 0 HD21 LEU B 437 -7.390 2.390 -21.934 1.00 0.00 H new ATOM 0 HD22 LEU B 437 -8.905 2.268 -21.008 1.00 0.00 H new ATOM 0 HD23 LEU B 437 -7.426 1.488 -20.400 1.00 0.00 H new ATOM 770 N VAL B 438 -9.286 -3.044 -18.895 1.00 0.00 N ATOM 771 CA VAL B 438 -9.363 -4.481 -18.698 1.00 0.00 C ATOM 772 C VAL B 438 -10.274 -5.090 -19.765 1.00 0.00 C ATOM 773 O VAL B 438 -11.486 -4.880 -19.746 1.00 0.00 O ATOM 774 CB VAL B 438 -9.823 -4.790 -17.272 1.00 0.00 C ATOM 775 CG1 VAL B 438 -10.299 -6.239 -17.151 1.00 0.00 C ATOM 776 CG2 VAL B 438 -8.715 -4.490 -16.261 1.00 0.00 C ATOM 0 H VAL B 438 -9.869 -2.495 -18.263 1.00 0.00 H new ATOM 0 HA VAL B 438 -8.379 -4.935 -18.813 1.00 0.00 H new ATOM 0 HB VAL B 438 -10.668 -4.140 -17.045 1.00 0.00 H new ATOM 0 HG11 VAL B 438 -10.620 -6.432 -16.128 1.00 0.00 H new ATOM 0 HG12 VAL B 438 -11.134 -6.406 -17.831 1.00 0.00 H new ATOM 0 HG13 VAL B 438 -9.482 -6.913 -17.408 1.00 0.00 H new ATOM 0 HG21 VAL B 438 -9.068 -4.718 -15.255 1.00 0.00 H new ATOM 0 HG22 VAL B 438 -7.841 -5.102 -16.486 1.00 0.00 H new ATOM 0 HG23 VAL B 438 -8.445 -3.436 -16.320 1.00 0.00 H new ATOM 786 N ILE B 439 -9.656 -5.834 -20.671 1.00 0.00 N ATOM 787 CA ILE B 439 -10.396 -6.475 -21.745 1.00 0.00 C ATOM 788 C ILE B 439 -10.270 -7.994 -21.609 1.00 0.00 C ATOM 789 O ILE B 439 -9.295 -8.492 -21.049 1.00 0.00 O ATOM 790 CB ILE B 439 -9.941 -5.940 -23.104 1.00 0.00 C ATOM 791 CG1 ILE B 439 -8.502 -6.362 -23.406 1.00 0.00 C ATOM 792 CG2 ILE B 439 -10.123 -4.423 -23.184 1.00 0.00 C ATOM 793 CD1 ILE B 439 -7.512 -5.276 -22.981 1.00 0.00 C ATOM 0 H ILE B 439 -8.651 -6.007 -20.683 1.00 0.00 H new ATOM 0 HA ILE B 439 -11.457 -6.234 -21.673 1.00 0.00 H new ATOM 0 HB ILE B 439 -10.573 -6.381 -23.874 1.00 0.00 H new ATOM 0 HG12 ILE B 439 -8.274 -7.291 -22.884 1.00 0.00 H new ATOM 0 HG13 ILE B 439 -8.394 -6.561 -24.472 1.00 0.00 H new ATOM 0 HG21 ILE B 439 -9.792 -4.068 -24.160 1.00 0.00 H new ATOM 0 HG22 ILE B 439 -11.175 -4.175 -23.045 1.00 0.00 H new ATOM 0 HG23 ILE B 439 -9.531 -3.944 -22.404 1.00 0.00 H new ATOM 0 HD11 ILE B 439 -6.496 -5.601 -23.207 1.00 0.00 H new ATOM 0 HD12 ILE B 439 -7.727 -4.355 -23.523 1.00 0.00 H new ATOM 0 HD13 ILE B 439 -7.606 -5.097 -21.910 1.00 0.00 H new ATOM 805 N PRO B 440 -11.297 -8.706 -22.144 1.00 0.00 N ATOM 806 CA PRO B 440 -11.311 -10.158 -22.088 1.00 0.00 C ATOM 807 C PRO B 440 -10.326 -10.755 -23.095 1.00 0.00 C ATOM 808 O PRO B 440 -10.491 -10.589 -24.303 1.00 0.00 O ATOM 809 CB PRO B 440 -12.753 -10.549 -22.364 1.00 0.00 C ATOM 810 CG PRO B 440 -13.395 -9.338 -23.021 1.00 0.00 C ATOM 811 CD PRO B 440 -12.469 -8.150 -22.815 1.00 0.00 C ATOM 0 HA PRO B 440 -10.986 -10.545 -21.122 1.00 0.00 H new ATOM 0 HB2 PRO B 440 -12.803 -11.420 -23.017 1.00 0.00 H new ATOM 0 HB3 PRO B 440 -13.270 -10.812 -21.441 1.00 0.00 H new ATOM 0 HG2 PRO B 440 -13.553 -9.519 -24.084 1.00 0.00 H new ATOM 0 HG3 PRO B 440 -14.373 -9.140 -22.583 1.00 0.00 H new ATOM 0 HD2 PRO B 440 -12.200 -7.688 -23.765 1.00 0.00 H new ATOM 0 HD3 PRO B 440 -12.944 -7.378 -22.209 1.00 0.00 H new ATOM 819 N PHE B 441 -9.324 -11.437 -22.562 1.00 0.00 N ATOM 820 CA PHE B 441 -8.312 -12.059 -23.399 1.00 0.00 C ATOM 821 C PHE B 441 -8.944 -13.055 -24.374 1.00 0.00 C ATOM 822 O PHE B 441 -10.164 -13.211 -24.405 1.00 0.00 O ATOM 823 CB PHE B 441 -7.360 -12.811 -22.467 1.00 0.00 C ATOM 824 CG PHE B 441 -8.053 -13.479 -21.277 1.00 0.00 C ATOM 825 CD1 PHE B 441 -9.340 -13.902 -21.389 1.00 0.00 C ATOM 826 CD2 PHE B 441 -7.381 -13.649 -20.107 1.00 0.00 C ATOM 827 CE1 PHE B 441 -9.983 -14.522 -20.285 1.00 0.00 C ATOM 828 CE2 PHE B 441 -8.023 -14.268 -19.002 1.00 0.00 C ATOM 829 CZ PHE B 441 -9.311 -14.692 -19.115 1.00 0.00 C ATOM 0 H PHE B 441 -9.191 -11.573 -21.560 1.00 0.00 H new ATOM 0 HA PHE B 441 -7.793 -11.298 -23.983 1.00 0.00 H new ATOM 0 HB2 PHE B 441 -6.832 -13.572 -23.041 1.00 0.00 H new ATOM 0 HB3 PHE B 441 -6.609 -12.115 -22.093 1.00 0.00 H new ATOM 0 HD1 PHE B 441 -9.874 -13.766 -22.318 1.00 0.00 H new ATOM 0 HD2 PHE B 441 -6.358 -13.313 -20.018 1.00 0.00 H new ATOM 0 HE1 PHE B 441 -11.005 -14.858 -20.375 1.00 0.00 H new ATOM 0 HE2 PHE B 441 -7.489 -14.402 -18.073 1.00 0.00 H new ATOM 0 HZ PHE B 441 -9.800 -15.164 -18.275 1.00 0.00 H new ATOM 931 N ASP B 448 -1.957 -14.995 -16.965 1.00 0.00 N ATOM 932 CA ASP B 448 -0.883 -15.241 -16.019 1.00 0.00 C ATOM 933 C ASP B 448 -1.376 -14.939 -14.603 1.00 0.00 C ATOM 934 O ASP B 448 -2.275 -14.120 -14.417 1.00 0.00 O ATOM 935 CB ASP B 448 0.319 -14.338 -16.303 1.00 0.00 C ATOM 936 CG ASP B 448 1.474 -14.467 -15.308 1.00 0.00 C ATOM 937 OD1 ASP B 448 1.998 -15.595 -15.189 1.00 0.00 O ATOM 938 OD2 ASP B 448 1.807 -13.433 -14.689 1.00 0.00 O ATOM 0 HA ASP B 448 -0.582 -16.284 -16.116 1.00 0.00 H new ATOM 0 HB2 ASP B 448 0.693 -14.561 -17.302 1.00 0.00 H new ATOM 0 HB3 ASP B 448 -0.018 -13.302 -16.313 1.00 0.00 H new ATOM 943 N GLU B 449 -0.767 -15.616 -13.641 1.00 0.00 N ATOM 944 CA GLU B 449 -1.134 -15.430 -12.247 1.00 0.00 C ATOM 945 C GLU B 449 -0.605 -14.089 -11.734 1.00 0.00 C ATOM 946 O GLU B 449 0.605 -13.882 -11.661 1.00 0.00 O ATOM 947 CB GLU B 449 -0.622 -16.587 -11.386 1.00 0.00 C ATOM 948 CG GLU B 449 -1.342 -16.626 -10.037 1.00 0.00 C ATOM 949 CD GLU B 449 -2.793 -17.083 -10.202 1.00 0.00 C ATOM 950 OE1 GLU B 449 -3.641 -16.198 -10.449 1.00 0.00 O ATOM 951 OE2 GLU B 449 -3.021 -18.305 -10.078 1.00 0.00 O ATOM 0 H GLU B 449 -0.022 -16.294 -13.799 1.00 0.00 H new ATOM 0 HA GLU B 449 -2.222 -15.421 -12.176 1.00 0.00 H new ATOM 0 HB2 GLU B 449 -0.774 -17.530 -11.911 1.00 0.00 H new ATOM 0 HB3 GLU B 449 0.451 -16.480 -11.227 1.00 0.00 H new ATOM 0 HG2 GLU B 449 -0.819 -17.302 -9.361 1.00 0.00 H new ATOM 0 HG3 GLU B 449 -1.318 -15.637 -9.580 1.00 0.00 H new ATOM 958 N GLY B 450 -1.539 -13.214 -11.390 1.00 0.00 N ATOM 959 CA GLY B 450 -1.182 -11.899 -10.886 1.00 0.00 C ATOM 960 C GLY B 450 -1.202 -10.857 -12.006 1.00 0.00 C ATOM 961 O GLY B 450 -1.007 -9.668 -11.757 1.00 0.00 O ATOM 0 H GLY B 450 -2.542 -13.390 -11.450 1.00 0.00 H new ATOM 0 HA2 GLY B 450 -1.878 -11.606 -10.100 1.00 0.00 H new ATOM 0 HA3 GLY B 450 -0.190 -11.935 -10.436 1.00 0.00 H new ATOM 965 N TRP B 451 -1.440 -11.341 -13.216 1.00 0.00 N ATOM 966 CA TRP B 451 -1.488 -10.467 -14.376 1.00 0.00 C ATOM 967 C TRP B 451 -2.709 -10.857 -15.211 1.00 0.00 C ATOM 968 O TRP B 451 -3.245 -11.954 -15.060 1.00 0.00 O ATOM 969 CB TRP B 451 -0.179 -10.530 -15.165 1.00 0.00 C ATOM 970 CG TRP B 451 1.076 -10.514 -14.290 1.00 0.00 C ATOM 971 CD1 TRP B 451 1.348 -11.277 -13.223 1.00 0.00 C ATOM 972 CD2 TRP B 451 2.226 -9.657 -14.453 1.00 0.00 C ATOM 973 NE1 TRP B 451 2.584 -10.976 -12.688 1.00 0.00 N ATOM 974 CE2 TRP B 451 3.135 -9.959 -13.460 1.00 0.00 C ATOM 975 CE3 TRP B 451 2.489 -8.659 -15.408 1.00 0.00 C ATOM 976 CZ2 TRP B 451 4.368 -9.310 -13.325 1.00 0.00 C ATOM 977 CZ3 TRP B 451 3.726 -8.019 -15.260 1.00 0.00 C ATOM 978 CH2 TRP B 451 4.652 -8.312 -14.265 1.00 0.00 C ATOM 0 H TRP B 451 -1.602 -12.328 -13.418 1.00 0.00 H new ATOM 0 HA TRP B 451 -1.593 -9.426 -14.071 1.00 0.00 H new ATOM 0 HB2 TRP B 451 -0.175 -11.436 -15.771 1.00 0.00 H new ATOM 0 HB3 TRP B 451 -0.140 -9.686 -15.853 1.00 0.00 H new ATOM 0 HD1 TRP B 451 0.684 -12.033 -12.831 1.00 0.00 H new ATOM 0 HE1 TRP B 451 3.014 -11.418 -11.876 1.00 0.00 H new ATOM 0 HE3 TRP B 451 1.792 -8.406 -16.193 1.00 0.00 H new ATOM 0 HZ2 TRP B 451 5.063 -9.565 -12.538 1.00 0.00 H new ATOM 0 HZ3 TRP B 451 3.978 -7.244 -15.968 1.00 0.00 H new ATOM 0 HH2 TRP B 451 5.586 -7.772 -14.217 1.00 0.00 H new ATOM 989 N LEU B 452 -3.114 -9.937 -16.075 1.00 0.00 N ATOM 990 CA LEU B 452 -4.261 -10.171 -16.935 1.00 0.00 C ATOM 991 C LEU B 452 -4.062 -9.426 -18.257 1.00 0.00 C ATOM 992 O LEU B 452 -3.119 -8.649 -18.400 1.00 0.00 O ATOM 993 CB LEU B 452 -5.558 -9.803 -16.211 1.00 0.00 C ATOM 994 CG LEU B 452 -5.401 -8.981 -14.930 1.00 0.00 C ATOM 995 CD1 LEU B 452 -6.646 -8.131 -14.668 1.00 0.00 C ATOM 996 CD2 LEU B 452 -5.059 -9.880 -13.740 1.00 0.00 C ATOM 0 H LEU B 452 -2.668 -9.028 -16.197 1.00 0.00 H new ATOM 0 HA LEU B 452 -4.347 -11.231 -17.175 1.00 0.00 H new ATOM 0 HB2 LEU B 452 -6.191 -9.245 -16.902 1.00 0.00 H new ATOM 0 HB3 LEU B 452 -6.088 -10.724 -15.966 1.00 0.00 H new ATOM 0 HG LEU B 452 -4.565 -8.294 -15.065 1.00 0.00 H new ATOM 0 HD11 LEU B 452 -6.508 -7.557 -13.752 1.00 0.00 H new ATOM 0 HD12 LEU B 452 -6.803 -7.449 -15.504 1.00 0.00 H new ATOM 0 HD13 LEU B 452 -7.515 -8.781 -14.562 1.00 0.00 H new ATOM 0 HD21 LEU B 452 -4.953 -9.271 -12.842 1.00 0.00 H new ATOM 0 HD22 LEU B 452 -5.857 -10.608 -13.592 1.00 0.00 H new ATOM 0 HD23 LEU B 452 -4.123 -10.403 -13.936 1.00 0.00 H new ATOM 1008 N MET B 453 -4.966 -9.689 -19.189 1.00 0.00 N ATOM 1009 CA MET B 453 -4.903 -9.052 -20.494 1.00 0.00 C ATOM 1010 C MET B 453 -5.616 -7.699 -20.479 1.00 0.00 C ATOM 1011 O MET B 453 -6.835 -7.637 -20.328 1.00 0.00 O ATOM 1012 CB MET B 453 -5.554 -9.962 -21.538 1.00 0.00 C ATOM 1013 CG MET B 453 -5.708 -9.237 -22.876 1.00 0.00 C ATOM 1014 SD MET B 453 -4.765 -10.077 -24.138 1.00 0.00 S ATOM 1015 CE MET B 453 -3.152 -10.071 -23.374 1.00 0.00 C ATOM 0 H MET B 453 -5.746 -10.334 -19.067 1.00 0.00 H new ATOM 0 HA MET B 453 -3.856 -8.886 -20.746 1.00 0.00 H new ATOM 0 HB2 MET B 453 -4.948 -10.858 -21.673 1.00 0.00 H new ATOM 0 HB3 MET B 453 -6.531 -10.289 -21.182 1.00 0.00 H new ATOM 0 HG2 MET B 453 -6.760 -9.200 -23.160 1.00 0.00 H new ATOM 0 HG3 MET B 453 -5.367 -8.206 -22.782 1.00 0.00 H new ATOM 0 HE1 MET B 453 -2.490 -9.403 -23.926 1.00 0.00 H new ATOM 0 HE2 MET B 453 -3.239 -9.726 -22.344 1.00 0.00 H new ATOM 0 HE3 MET B 453 -2.740 -11.080 -23.385 1.00 0.00 H new ATOM 1025 N GLY B 454 -4.825 -6.648 -20.638 1.00 0.00 N ATOM 1026 CA GLY B 454 -5.366 -5.299 -20.645 1.00 0.00 C ATOM 1027 C GLY B 454 -4.703 -4.448 -21.729 1.00 0.00 C ATOM 1028 O GLY B 454 -3.767 -4.896 -22.390 1.00 0.00 O ATOM 0 H GLY B 454 -3.814 -6.703 -20.763 1.00 0.00 H new ATOM 0 HA2 GLY B 454 -6.442 -5.336 -20.814 1.00 0.00 H new ATOM 0 HA3 GLY B 454 -5.212 -4.837 -19.670 1.00 0.00 H new ATOM 1032 N VAL B 455 -5.214 -3.235 -21.879 1.00 0.00 N ATOM 1033 CA VAL B 455 -4.682 -2.316 -22.872 1.00 0.00 C ATOM 1034 C VAL B 455 -4.560 -0.921 -22.255 1.00 0.00 C ATOM 1035 O VAL B 455 -5.428 -0.497 -21.494 1.00 0.00 O ATOM 1036 CB VAL B 455 -5.555 -2.340 -24.128 1.00 0.00 C ATOM 1037 CG1 VAL B 455 -6.979 -1.874 -23.816 1.00 0.00 C ATOM 1038 CG2 VAL B 455 -4.934 -1.496 -25.243 1.00 0.00 C ATOM 0 H VAL B 455 -5.991 -2.867 -21.330 1.00 0.00 H new ATOM 0 HA VAL B 455 -3.683 -2.624 -23.181 1.00 0.00 H new ATOM 0 HB VAL B 455 -5.609 -3.371 -24.478 1.00 0.00 H new ATOM 0 HG11 VAL B 455 -7.578 -1.901 -24.726 1.00 0.00 H new ATOM 0 HG12 VAL B 455 -7.422 -2.534 -23.070 1.00 0.00 H new ATOM 0 HG13 VAL B 455 -6.952 -0.855 -23.429 1.00 0.00 H new ATOM 0 HG21 VAL B 455 -5.574 -1.530 -26.125 1.00 0.00 H new ATOM 0 HG22 VAL B 455 -4.835 -0.464 -24.906 1.00 0.00 H new ATOM 0 HG23 VAL B 455 -3.950 -1.892 -25.494 1.00 0.00 H new ATOM 1048 N LYS B 456 -3.476 -0.246 -22.607 1.00 0.00 N ATOM 1049 CA LYS B 456 -3.229 1.092 -22.097 1.00 0.00 C ATOM 1050 C LYS B 456 -4.094 2.093 -22.866 1.00 0.00 C ATOM 1051 O LYS B 456 -4.584 1.790 -23.952 1.00 0.00 O ATOM 1052 CB LYS B 456 -1.734 1.414 -22.138 1.00 0.00 C ATOM 1053 CG LYS B 456 -1.200 1.718 -20.737 1.00 0.00 C ATOM 1054 CD LYS B 456 0.291 1.389 -20.634 1.00 0.00 C ATOM 1055 CE LYS B 456 1.120 2.321 -21.520 1.00 0.00 C ATOM 1056 NZ LYS B 456 1.464 1.654 -22.795 1.00 0.00 N ATOM 0 H LYS B 456 -2.759 -0.601 -23.239 1.00 0.00 H new ATOM 0 HA LYS B 456 -3.517 1.159 -21.048 1.00 0.00 H new ATOM 0 HB2 LYS B 456 -1.189 0.572 -22.564 1.00 0.00 H new ATOM 0 HB3 LYS B 456 -1.560 2.269 -22.791 1.00 0.00 H new ATOM 0 HG2 LYS B 456 -1.361 2.770 -20.503 1.00 0.00 H new ATOM 0 HG3 LYS B 456 -1.755 1.139 -19.999 1.00 0.00 H new ATOM 0 HD2 LYS B 456 0.617 1.481 -19.598 1.00 0.00 H new ATOM 0 HD3 LYS B 456 0.460 0.354 -20.930 1.00 0.00 H new ATOM 0 HE2 LYS B 456 0.561 3.235 -21.720 1.00 0.00 H new ATOM 0 HE3 LYS B 456 2.031 2.613 -20.998 1.00 0.00 H new ATOM 0 HZ1 LYS B 456 2.483 1.445 -22.814 1.00 0.00 H new ATOM 0 HZ2 LYS B 456 0.927 0.767 -22.879 1.00 0.00 H new ATOM 0 HZ3 LYS B 456 1.224 2.280 -23.590 1.00 0.00 H new ATOM 1070 N GLU B 457 -4.256 3.266 -22.271 1.00 0.00 N ATOM 1071 CA GLU B 457 -5.053 4.313 -22.885 1.00 0.00 C ATOM 1072 C GLU B 457 -4.494 4.667 -24.265 1.00 0.00 C ATOM 1073 O GLU B 457 -5.250 4.959 -25.190 1.00 0.00 O ATOM 1074 CB GLU B 457 -5.120 5.550 -21.988 1.00 0.00 C ATOM 1075 CG GLU B 457 -5.828 6.706 -22.698 1.00 0.00 C ATOM 1076 CD GLU B 457 -6.736 7.469 -21.732 1.00 0.00 C ATOM 1077 OE1 GLU B 457 -6.213 8.390 -21.068 1.00 0.00 O ATOM 1078 OE2 GLU B 457 -7.934 7.114 -21.679 1.00 0.00 O ATOM 0 H GLU B 457 -3.848 3.514 -21.370 1.00 0.00 H new ATOM 0 HA GLU B 457 -6.070 3.940 -23.011 1.00 0.00 H new ATOM 0 HB2 GLU B 457 -5.648 5.307 -21.066 1.00 0.00 H new ATOM 0 HB3 GLU B 457 -4.112 5.854 -21.707 1.00 0.00 H new ATOM 0 HG2 GLU B 457 -5.088 7.386 -23.121 1.00 0.00 H new ATOM 0 HG3 GLU B 457 -6.418 6.320 -23.529 1.00 0.00 H new ATOM 1085 N SER B 458 -3.173 4.628 -24.360 1.00 0.00 N ATOM 1086 CA SER B 458 -2.503 4.940 -25.611 1.00 0.00 C ATOM 1087 C SER B 458 -2.816 3.866 -26.654 1.00 0.00 C ATOM 1088 O SER B 458 -3.138 4.183 -27.799 1.00 0.00 O ATOM 1089 CB SER B 458 -0.991 5.061 -25.410 1.00 0.00 C ATOM 1090 OG SER B 458 -0.457 6.215 -26.054 1.00 0.00 O ATOM 0 H SER B 458 -2.549 4.385 -23.591 1.00 0.00 H new ATOM 0 HA SER B 458 -2.873 5.901 -25.967 1.00 0.00 H new ATOM 0 HB2 SER B 458 -0.770 5.106 -24.344 1.00 0.00 H new ATOM 0 HB3 SER B 458 -0.501 4.169 -25.800 1.00 0.00 H new ATOM 0 HG SER B 458 0.510 6.257 -25.901 1.00 0.00 H new ATOM 1096 N ASP B 459 -2.711 2.618 -26.222 1.00 0.00 N ATOM 1097 CA ASP B 459 -2.979 1.496 -27.105 1.00 0.00 C ATOM 1098 C ASP B 459 -4.422 1.581 -27.607 1.00 0.00 C ATOM 1099 O ASP B 459 -4.716 1.183 -28.733 1.00 0.00 O ATOM 1100 CB ASP B 459 -2.813 0.165 -26.369 1.00 0.00 C ATOM 1101 CG ASP B 459 -1.370 -0.331 -26.248 1.00 0.00 C ATOM 1102 OD1 ASP B 459 -0.524 0.486 -25.825 1.00 0.00 O ATOM 1103 OD2 ASP B 459 -1.147 -1.515 -26.580 1.00 0.00 O ATOM 0 H ASP B 459 -2.444 2.359 -25.272 1.00 0.00 H new ATOM 0 HA ASP B 459 -2.272 1.542 -27.933 1.00 0.00 H new ATOM 0 HB2 ASP B 459 -3.232 0.266 -25.368 1.00 0.00 H new ATOM 0 HB3 ASP B 459 -3.400 -0.594 -26.885 1.00 0.00 H new ATOM 1108 N TRP B 460 -5.284 2.104 -26.747 1.00 0.00 N ATOM 1109 CA TRP B 460 -6.689 2.246 -27.089 1.00 0.00 C ATOM 1110 C TRP B 460 -6.778 2.976 -28.431 1.00 0.00 C ATOM 1111 O TRP B 460 -7.500 2.547 -29.329 1.00 0.00 O ATOM 1112 CB TRP B 460 -7.457 2.955 -25.971 1.00 0.00 C ATOM 1113 CG TRP B 460 -8.978 2.855 -26.100 1.00 0.00 C ATOM 1114 CD1 TRP B 460 -9.694 2.529 -27.185 1.00 0.00 C ATOM 1115 CD2 TRP B 460 -9.947 3.097 -25.059 1.00 0.00 C ATOM 1116 NE1 TRP B 460 -11.048 2.543 -26.920 1.00 0.00 N ATOM 1117 CE2 TRP B 460 -11.207 2.900 -25.586 1.00 0.00 C ATOM 1118 CE3 TRP B 460 -9.765 3.470 -23.715 1.00 0.00 C ATOM 1119 CZ2 TRP B 460 -12.382 3.052 -24.840 1.00 0.00 C ATOM 1120 CZ3 TRP B 460 -10.949 3.618 -22.984 1.00 0.00 C ATOM 1121 CH2 TRP B 460 -12.225 3.424 -23.500 1.00 0.00 C ATOM 0 H TRP B 460 -5.036 2.434 -25.814 1.00 0.00 H new ATOM 0 HA TRP B 460 -7.161 1.269 -27.192 1.00 0.00 H new ATOM 0 HB2 TRP B 460 -7.155 2.532 -25.013 1.00 0.00 H new ATOM 0 HB3 TRP B 460 -7.172 4.007 -25.959 1.00 0.00 H new ATOM 0 HD1 TRP B 460 -9.265 2.286 -28.146 1.00 0.00 H new ATOM 0 HE1 TRP B 460 -11.795 2.330 -27.581 1.00 0.00 H new ATOM 0 HE3 TRP B 460 -8.789 3.630 -23.282 1.00 0.00 H new ATOM 0 HZ2 TRP B 460 -13.357 2.891 -25.275 1.00 0.00 H new ATOM 0 HZ3 TRP B 460 -10.865 3.903 -21.946 1.00 0.00 H new ATOM 0 HH2 TRP B 460 -13.091 3.560 -22.870 1.00 0.00 H new ATOM 1132 N ASN B 461 -6.032 4.068 -28.524 1.00 0.00 N ATOM 1133 CA ASN B 461 -6.017 4.862 -29.741 1.00 0.00 C ATOM 1134 C ASN B 461 -5.627 3.970 -30.922 1.00 0.00 C ATOM 1135 O ASN B 461 -5.986 4.254 -32.064 1.00 0.00 O ATOM 1136 CB ASN B 461 -4.995 5.996 -29.646 1.00 0.00 C ATOM 1137 CG ASN B 461 -5.388 7.000 -28.561 1.00 0.00 C ATOM 1138 OD1 ASN B 461 -6.069 7.982 -28.805 1.00 0.00 O ATOM 1139 ND2 ASN B 461 -4.922 6.700 -27.352 1.00 0.00 N ATOM 0 H ASN B 461 -5.434 4.421 -27.777 1.00 0.00 H new ATOM 0 HA ASN B 461 -7.012 5.285 -29.880 1.00 0.00 H new ATOM 0 HB2 ASN B 461 -4.010 5.585 -29.426 1.00 0.00 H new ATOM 0 HB3 ASN B 461 -4.921 6.505 -30.607 1.00 0.00 H new ATOM 0 HD21 ASN B 461 -5.129 7.308 -26.560 1.00 0.00 H new ATOM 0 HD22 ASN B 461 -4.357 5.862 -27.217 1.00 0.00 H new ATOM 1146 N GLN B 462 -4.898 2.910 -30.606 1.00 0.00 N ATOM 1147 CA GLN B 462 -4.454 1.976 -31.627 1.00 0.00 C ATOM 1148 C GLN B 462 -5.486 0.862 -31.811 1.00 0.00 C ATOM 1149 O GLN B 462 -5.179 -0.186 -32.377 1.00 0.00 O ATOM 1150 CB GLN B 462 -3.080 1.399 -31.282 1.00 0.00 C ATOM 1151 CG GLN B 462 -1.990 2.015 -32.161 1.00 0.00 C ATOM 1152 CD GLN B 462 -2.206 3.521 -32.329 1.00 0.00 C ATOM 1153 OE1 GLN B 462 -1.935 4.101 -33.368 1.00 0.00 O ATOM 1154 NE2 GLN B 462 -2.709 4.118 -31.253 1.00 0.00 N ATOM 0 H GLN B 462 -4.604 2.677 -29.658 1.00 0.00 H new ATOM 0 HA GLN B 462 -4.358 2.516 -32.569 1.00 0.00 H new ATOM 0 HB2 GLN B 462 -2.856 1.588 -30.232 1.00 0.00 H new ATOM 0 HB3 GLN B 462 -3.092 0.317 -31.416 1.00 0.00 H new ATOM 0 HG2 GLN B 462 -1.012 1.832 -31.716 1.00 0.00 H new ATOM 0 HG3 GLN B 462 -1.990 1.533 -33.139 1.00 0.00 H new ATOM 0 HE21 GLN B 462 -2.913 3.572 -30.416 1.00 0.00 H new ATOM 0 HE22 GLN B 462 -2.891 5.122 -31.265 1.00 0.00 H new ATOM 1163 N HIS B 463 -6.689 1.126 -31.322 1.00 0.00 N ATOM 1164 CA HIS B 463 -7.768 0.158 -31.425 1.00 0.00 C ATOM 1165 C HIS B 463 -7.809 -0.415 -32.843 1.00 0.00 C ATOM 1166 O HIS B 463 -8.323 -1.512 -33.058 1.00 0.00 O ATOM 1167 CB HIS B 463 -9.098 0.781 -30.998 1.00 0.00 C ATOM 1168 CG HIS B 463 -10.186 0.681 -32.042 1.00 0.00 C ATOM 1169 ND1 HIS B 463 -11.376 0.010 -31.822 1.00 0.00 N ATOM 1170 CD2 HIS B 463 -10.250 1.175 -33.311 1.00 0.00 C ATOM 1171 CE1 HIS B 463 -12.116 0.101 -32.918 1.00 0.00 C ATOM 1172 NE2 HIS B 463 -11.416 0.823 -33.840 1.00 0.00 N ATOM 0 H HIS B 463 -6.940 1.996 -30.853 1.00 0.00 H new ATOM 0 HA HIS B 463 -7.586 -0.671 -30.741 1.00 0.00 H new ATOM 0 HB2 HIS B 463 -9.439 0.294 -30.085 1.00 0.00 H new ATOM 0 HB3 HIS B 463 -8.935 1.831 -30.757 1.00 0.00 H new ATOM 0 HD2 HIS B 463 -9.483 1.754 -33.803 1.00 0.00 H new ATOM 0 HE1 HIS B 463 -13.100 -0.322 -33.057 1.00 0.00 H new ATOM 0 HE2 HIS B 463 -11.736 1.054 -34.781 1.00 0.00 H new ATOM 1180 N LYS B 464 -7.260 0.352 -33.773 1.00 0.00 N ATOM 1181 CA LYS B 464 -7.228 -0.066 -35.164 1.00 0.00 C ATOM 1182 C LYS B 464 -6.494 -1.404 -35.273 1.00 0.00 C ATOM 1183 O LYS B 464 -6.803 -2.217 -36.143 1.00 0.00 O ATOM 1184 CB LYS B 464 -6.631 1.036 -36.042 1.00 0.00 C ATOM 1185 CG LYS B 464 -7.707 1.684 -36.915 1.00 0.00 C ATOM 1186 CD LYS B 464 -7.087 2.674 -37.904 1.00 0.00 C ATOM 1187 CE LYS B 464 -7.865 2.693 -39.221 1.00 0.00 C ATOM 1188 NZ LYS B 464 -8.155 4.084 -39.633 1.00 0.00 N ATOM 0 H LYS B 464 -6.834 1.261 -33.591 1.00 0.00 H new ATOM 0 HA LYS B 464 -8.240 -0.225 -35.537 1.00 0.00 H new ATOM 0 HB2 LYS B 464 -6.163 1.793 -35.413 1.00 0.00 H new ATOM 0 HB3 LYS B 464 -5.848 0.618 -36.674 1.00 0.00 H new ATOM 0 HG2 LYS B 464 -8.252 0.913 -37.460 1.00 0.00 H new ATOM 0 HG3 LYS B 464 -8.431 2.200 -36.284 1.00 0.00 H new ATOM 0 HD2 LYS B 464 -7.079 3.673 -37.468 1.00 0.00 H new ATOM 0 HD3 LYS B 464 -6.049 2.401 -38.095 1.00 0.00 H new ATOM 0 HE2 LYS B 464 -7.289 2.190 -39.998 1.00 0.00 H new ATOM 0 HE3 LYS B 464 -8.797 2.140 -39.107 1.00 0.00 H new ATOM 0 HZ1 LYS B 464 -8.683 4.078 -40.529 1.00 0.00 H new ATOM 0 HZ2 LYS B 464 -8.724 4.552 -38.899 1.00 0.00 H new ATOM 0 HZ3 LYS B 464 -7.262 4.601 -39.762 1.00 0.00 H new ATOM 1202 N LYS B 465 -5.535 -1.591 -34.378 1.00 0.00 N ATOM 1203 CA LYS B 465 -4.754 -2.816 -34.362 1.00 0.00 C ATOM 1204 C LYS B 465 -4.458 -3.209 -32.913 1.00 0.00 C ATOM 1205 O LYS B 465 -3.298 -3.349 -32.529 1.00 0.00 O ATOM 1206 CB LYS B 465 -3.501 -2.664 -35.227 1.00 0.00 C ATOM 1207 CG LYS B 465 -3.857 -2.149 -36.623 1.00 0.00 C ATOM 1208 CD LYS B 465 -2.596 -1.831 -37.428 1.00 0.00 C ATOM 1209 CE LYS B 465 -2.586 -0.369 -37.877 1.00 0.00 C ATOM 1210 NZ LYS B 465 -1.262 0.242 -37.624 1.00 0.00 N ATOM 0 H LYS B 465 -5.281 -0.914 -33.658 1.00 0.00 H new ATOM 0 HA LYS B 465 -5.321 -3.635 -34.805 1.00 0.00 H new ATOM 0 HB2 LYS B 465 -2.805 -1.975 -34.748 1.00 0.00 H new ATOM 0 HB3 LYS B 465 -2.993 -3.625 -35.309 1.00 0.00 H new ATOM 0 HG2 LYS B 465 -4.450 -2.896 -37.150 1.00 0.00 H new ATOM 0 HG3 LYS B 465 -4.474 -1.254 -36.538 1.00 0.00 H new ATOM 0 HD2 LYS B 465 -1.713 -2.035 -36.823 1.00 0.00 H new ATOM 0 HD3 LYS B 465 -2.543 -2.483 -38.300 1.00 0.00 H new ATOM 0 HE2 LYS B 465 -2.825 -0.307 -38.939 1.00 0.00 H new ATOM 0 HE3 LYS B 465 -3.357 0.187 -37.344 1.00 0.00 H new ATOM 0 HZ1 LYS B 465 -1.273 1.234 -37.935 1.00 0.00 H new ATOM 0 HZ2 LYS B 465 -1.049 0.200 -36.607 1.00 0.00 H new ATOM 0 HZ3 LYS B 465 -0.533 -0.278 -38.152 1.00 0.00 H new ATOM 1224 N LEU B 466 -5.527 -3.376 -32.149 1.00 0.00 N ATOM 1225 CA LEU B 466 -5.396 -3.750 -30.751 1.00 0.00 C ATOM 1226 C LEU B 466 -4.912 -5.198 -30.658 1.00 0.00 C ATOM 1227 O LEU B 466 -4.212 -5.563 -29.715 1.00 0.00 O ATOM 1228 CB LEU B 466 -6.704 -3.490 -30.002 1.00 0.00 C ATOM 1229 CG LEU B 466 -7.709 -4.643 -29.986 1.00 0.00 C ATOM 1230 CD1 LEU B 466 -8.521 -4.646 -28.690 1.00 0.00 C ATOM 1231 CD2 LEU B 466 -8.607 -4.605 -31.225 1.00 0.00 C ATOM 0 H LEU B 466 -6.488 -3.259 -32.471 1.00 0.00 H new ATOM 0 HA LEU B 466 -4.646 -3.130 -30.260 1.00 0.00 H new ATOM 0 HB2 LEU B 466 -6.464 -3.230 -28.971 1.00 0.00 H new ATOM 0 HB3 LEU B 466 -7.187 -2.620 -30.446 1.00 0.00 H new ATOM 0 HG LEU B 466 -7.153 -5.580 -30.019 1.00 0.00 H new ATOM 0 HD11 LEU B 466 -9.228 -5.476 -28.705 1.00 0.00 H new ATOM 0 HD12 LEU B 466 -7.848 -4.758 -27.840 1.00 0.00 H new ATOM 0 HD13 LEU B 466 -9.066 -3.707 -28.600 1.00 0.00 H new ATOM 0 HD21 LEU B 466 -9.312 -5.435 -31.189 1.00 0.00 H new ATOM 0 HD22 LEU B 466 -9.156 -3.664 -31.248 1.00 0.00 H new ATOM 0 HD23 LEU B 466 -7.993 -4.689 -32.122 1.00 0.00 H new ATOM 1243 N GLU B 467 -5.305 -5.984 -31.650 1.00 0.00 N ATOM 1244 CA GLU B 467 -4.920 -7.385 -31.692 1.00 0.00 C ATOM 1245 C GLU B 467 -3.399 -7.521 -31.598 1.00 0.00 C ATOM 1246 O GLU B 467 -2.892 -8.482 -31.022 1.00 0.00 O ATOM 1247 CB GLU B 467 -5.455 -8.063 -32.955 1.00 0.00 C ATOM 1248 CG GLU B 467 -6.965 -8.287 -32.859 1.00 0.00 C ATOM 1249 CD GLU B 467 -7.604 -8.317 -34.249 1.00 0.00 C ATOM 1250 OE1 GLU B 467 -7.734 -7.222 -34.838 1.00 0.00 O ATOM 1251 OE2 GLU B 467 -7.947 -9.434 -34.692 1.00 0.00 O ATOM 0 H GLU B 467 -5.886 -5.678 -32.430 1.00 0.00 H new ATOM 0 HA GLU B 467 -5.363 -7.889 -30.833 1.00 0.00 H new ATOM 0 HB2 GLU B 467 -5.230 -7.447 -33.826 1.00 0.00 H new ATOM 0 HB3 GLU B 467 -4.951 -9.018 -33.101 1.00 0.00 H new ATOM 0 HG2 GLU B 467 -7.165 -9.226 -32.343 1.00 0.00 H new ATOM 0 HG3 GLU B 467 -7.417 -7.493 -32.264 1.00 0.00 H new ATOM 1258 N LYS B 468 -2.713 -6.544 -32.174 1.00 0.00 N ATOM 1259 CA LYS B 468 -1.260 -6.543 -32.163 1.00 0.00 C ATOM 1260 C LYS B 468 -0.763 -5.516 -31.143 1.00 0.00 C ATOM 1261 O LYS B 468 0.431 -5.229 -31.078 1.00 0.00 O ATOM 1262 CB LYS B 468 -0.714 -6.321 -33.575 1.00 0.00 C ATOM 1263 CG LYS B 468 -1.650 -5.426 -34.390 1.00 0.00 C ATOM 1264 CD LYS B 468 -2.822 -6.229 -34.958 1.00 0.00 C ATOM 1265 CE LYS B 468 -2.612 -6.530 -36.443 1.00 0.00 C ATOM 1266 NZ LYS B 468 -2.690 -5.286 -37.240 1.00 0.00 N ATOM 0 H LYS B 468 -3.137 -5.748 -32.651 1.00 0.00 H new ATOM 0 HA LYS B 468 -0.880 -7.515 -31.848 1.00 0.00 H new ATOM 0 HB2 LYS B 468 0.274 -5.865 -33.519 1.00 0.00 H new ATOM 0 HB3 LYS B 468 -0.594 -7.281 -34.077 1.00 0.00 H new ATOM 0 HG2 LYS B 468 -2.028 -4.621 -33.760 1.00 0.00 H new ATOM 0 HG3 LYS B 468 -1.095 -4.960 -35.205 1.00 0.00 H new ATOM 0 HD2 LYS B 468 -2.929 -7.163 -34.406 1.00 0.00 H new ATOM 0 HD3 LYS B 468 -3.749 -5.671 -34.824 1.00 0.00 H new ATOM 0 HE2 LYS B 468 -1.641 -7.003 -36.590 1.00 0.00 H new ATOM 0 HE3 LYS B 468 -3.367 -7.237 -36.787 1.00 0.00 H new ATOM 0 HZ1 LYS B 468 -2.698 -5.522 -38.253 1.00 0.00 H new ATOM 0 HZ2 LYS B 468 -3.561 -4.772 -36.997 1.00 0.00 H new ATOM 0 HZ3 LYS B 468 -1.865 -4.688 -37.031 1.00 0.00 H new ATOM 1280 N CYS B 469 -1.704 -4.991 -30.373 1.00 0.00 N ATOM 1281 CA CYS B 469 -1.376 -4.003 -29.359 1.00 0.00 C ATOM 1282 C CYS B 469 -1.652 -4.614 -27.984 1.00 0.00 C ATOM 1283 O CYS B 469 -1.281 -4.042 -26.961 1.00 0.00 O ATOM 1284 CB CYS B 469 -2.150 -2.699 -29.570 1.00 0.00 C ATOM 1285 SG CYS B 469 -1.031 -1.267 -29.357 1.00 0.00 S ATOM 0 H CYS B 469 -2.694 -5.231 -30.431 1.00 0.00 H new ATOM 0 HA CYS B 469 -0.321 -3.740 -29.432 1.00 0.00 H new ATOM 0 HB2 CYS B 469 -2.588 -2.684 -30.568 1.00 0.00 H new ATOM 0 HB3 CYS B 469 -2.974 -2.636 -28.859 1.00 0.00 H new ATOM 0 HG CYS B 469 -0.434 -1.350 -28.205 1.00 0.00 H new ATOM 1291 N ARG B 470 -2.301 -5.769 -28.005 1.00 0.00 N ATOM 1292 CA ARG B 470 -2.631 -6.465 -26.773 1.00 0.00 C ATOM 1293 C ARG B 470 -1.368 -6.700 -25.942 1.00 0.00 C ATOM 1294 O ARG B 470 -0.262 -6.724 -26.480 1.00 0.00 O ATOM 1295 CB ARG B 470 -3.301 -7.810 -27.062 1.00 0.00 C ATOM 1296 CG ARG B 470 -4.592 -7.619 -27.860 1.00 0.00 C ATOM 1297 CD ARG B 470 -5.739 -8.425 -27.248 1.00 0.00 C ATOM 1298 NE ARG B 470 -6.410 -9.227 -28.296 1.00 0.00 N ATOM 1299 CZ ARG B 470 -7.599 -9.823 -28.140 1.00 0.00 C ATOM 1300 NH1 ARG B 470 -8.257 -9.712 -26.978 1.00 0.00 N ATOM 1301 NH2 ARG B 470 -8.131 -10.531 -29.145 1.00 0.00 N ATOM 0 H ARG B 470 -2.607 -6.240 -28.856 1.00 0.00 H new ATOM 0 HA ARG B 470 -3.327 -5.839 -26.214 1.00 0.00 H new ATOM 0 HB2 ARG B 470 -2.616 -8.449 -27.619 1.00 0.00 H new ATOM 0 HB3 ARG B 470 -3.521 -8.320 -26.124 1.00 0.00 H new ATOM 0 HG2 ARG B 470 -4.857 -6.562 -27.882 1.00 0.00 H new ATOM 0 HG3 ARG B 470 -4.435 -7.930 -28.893 1.00 0.00 H new ATOM 0 HD2 ARG B 470 -5.357 -9.081 -26.466 1.00 0.00 H new ATOM 0 HD3 ARG B 470 -6.457 -7.753 -26.778 1.00 0.00 H new ATOM 0 HE ARG B 470 -5.937 -9.332 -29.193 1.00 0.00 H new ATOM 0 HH11 ARG B 470 -7.852 -9.173 -26.212 1.00 0.00 H new ATOM 0 HH12 ARG B 470 -9.163 -10.166 -26.859 1.00 0.00 H new ATOM 0 HH21 ARG B 470 -7.630 -10.616 -30.030 1.00 0.00 H new ATOM 0 HH22 ARG B 470 -9.037 -10.985 -29.026 1.00 0.00 H new ATOM 1315 N GLY B 471 -1.575 -6.867 -24.644 1.00 0.00 N ATOM 1316 CA GLY B 471 -0.467 -7.097 -23.733 1.00 0.00 C ATOM 1317 C GLY B 471 -0.966 -7.615 -22.382 1.00 0.00 C ATOM 1318 O GLY B 471 -2.170 -7.749 -22.171 1.00 0.00 O ATOM 0 H GLY B 471 -2.494 -6.848 -24.202 1.00 0.00 H new ATOM 0 HA2 GLY B 471 0.224 -7.818 -24.170 1.00 0.00 H new ATOM 0 HA3 GLY B 471 0.088 -6.170 -23.589 1.00 0.00 H new ATOM 1322 N VAL B 472 -0.014 -7.891 -21.503 1.00 0.00 N ATOM 1323 CA VAL B 472 -0.342 -8.391 -20.178 1.00 0.00 C ATOM 1324 C VAL B 472 0.204 -7.426 -19.124 1.00 0.00 C ATOM 1325 O VAL B 472 1.281 -6.857 -19.297 1.00 0.00 O ATOM 1326 CB VAL B 472 0.185 -9.818 -20.012 1.00 0.00 C ATOM 1327 CG1 VAL B 472 0.127 -10.257 -18.548 1.00 0.00 C ATOM 1328 CG2 VAL B 472 -0.582 -10.793 -20.908 1.00 0.00 C ATOM 0 H VAL B 472 0.984 -7.778 -21.682 1.00 0.00 H new ATOM 0 HA VAL B 472 -1.423 -8.440 -20.045 1.00 0.00 H new ATOM 0 HB VAL B 472 1.230 -9.828 -20.323 1.00 0.00 H new ATOM 0 HG11 VAL B 472 0.507 -11.275 -18.458 1.00 0.00 H new ATOM 0 HG12 VAL B 472 0.737 -9.587 -17.943 1.00 0.00 H new ATOM 0 HG13 VAL B 472 -0.905 -10.223 -18.199 1.00 0.00 H new ATOM 0 HG21 VAL B 472 -0.188 -11.800 -20.771 1.00 0.00 H new ATOM 0 HG22 VAL B 472 -1.639 -10.778 -20.642 1.00 0.00 H new ATOM 0 HG23 VAL B 472 -0.466 -10.497 -21.951 1.00 0.00 H new ATOM 1338 N PHE B 473 -0.563 -7.272 -18.055 1.00 0.00 N ATOM 1339 CA PHE B 473 -0.169 -6.387 -16.972 1.00 0.00 C ATOM 1340 C PHE B 473 -0.545 -6.981 -15.614 1.00 0.00 C ATOM 1341 O PHE B 473 -1.574 -7.643 -15.485 1.00 0.00 O ATOM 1342 CB PHE B 473 -0.929 -5.074 -17.169 1.00 0.00 C ATOM 1343 CG PHE B 473 -2.432 -5.178 -16.902 1.00 0.00 C ATOM 1344 CD1 PHE B 473 -3.248 -5.754 -17.826 1.00 0.00 C ATOM 1345 CD2 PHE B 473 -2.952 -4.697 -15.742 1.00 0.00 C ATOM 1346 CE1 PHE B 473 -4.643 -5.851 -17.578 1.00 0.00 C ATOM 1347 CE2 PHE B 473 -4.347 -4.794 -15.494 1.00 0.00 C ATOM 1348 CZ PHE B 473 -5.163 -5.369 -16.417 1.00 0.00 C ATOM 0 H PHE B 473 -1.456 -7.745 -17.916 1.00 0.00 H new ATOM 0 HA PHE B 473 0.911 -6.239 -16.987 1.00 0.00 H new ATOM 0 HB2 PHE B 473 -0.505 -4.318 -16.508 1.00 0.00 H new ATOM 0 HB3 PHE B 473 -0.775 -4.727 -18.191 1.00 0.00 H new ATOM 0 HD1 PHE B 473 -2.835 -6.137 -18.747 1.00 0.00 H new ATOM 0 HD2 PHE B 473 -2.304 -4.241 -15.008 1.00 0.00 H new ATOM 0 HE1 PHE B 473 -5.291 -6.308 -18.311 1.00 0.00 H new ATOM 0 HE2 PHE B 473 -4.760 -4.411 -14.572 1.00 0.00 H new ATOM 0 HZ PHE B 473 -6.224 -5.443 -16.229 1.00 0.00 H new ATOM 1358 N PRO B 474 0.331 -6.717 -14.608 1.00 0.00 N ATOM 1359 CA PRO B 474 0.101 -7.218 -13.264 1.00 0.00 C ATOM 1360 C PRO B 474 -0.998 -6.420 -12.561 1.00 0.00 C ATOM 1361 O PRO B 474 -0.811 -5.247 -12.241 1.00 0.00 O ATOM 1362 CB PRO B 474 1.449 -7.112 -12.568 1.00 0.00 C ATOM 1363 CG PRO B 474 2.266 -6.130 -13.392 1.00 0.00 C ATOM 1364 CD PRO B 474 1.560 -5.937 -14.724 1.00 0.00 C ATOM 0 HA PRO B 474 -0.257 -8.247 -13.255 1.00 0.00 H new ATOM 0 HB2 PRO B 474 1.333 -6.760 -11.543 1.00 0.00 H new ATOM 0 HB3 PRO B 474 1.940 -8.084 -12.518 1.00 0.00 H new ATOM 0 HG2 PRO B 474 2.360 -5.178 -12.869 1.00 0.00 H new ATOM 0 HG3 PRO B 474 3.276 -6.510 -13.547 1.00 0.00 H new ATOM 0 HD2 PRO B 474 1.345 -4.885 -14.910 1.00 0.00 H new ATOM 0 HD3 PRO B 474 2.175 -6.288 -15.553 1.00 0.00 H new ATOM 1372 N GLU B 475 -2.122 -7.087 -12.342 1.00 0.00 N ATOM 1373 CA GLU B 475 -3.252 -6.454 -11.684 1.00 0.00 C ATOM 1374 C GLU B 475 -2.919 -6.164 -10.219 1.00 0.00 C ATOM 1375 O GLU B 475 -3.464 -5.233 -9.627 1.00 0.00 O ATOM 1376 CB GLU B 475 -4.509 -7.319 -11.799 1.00 0.00 C ATOM 1377 CG GLU B 475 -5.530 -6.949 -10.721 1.00 0.00 C ATOM 1378 CD GLU B 475 -6.959 -7.090 -11.248 1.00 0.00 C ATOM 1379 OE1 GLU B 475 -7.461 -6.089 -11.802 1.00 0.00 O ATOM 1380 OE2 GLU B 475 -7.517 -8.197 -11.085 1.00 0.00 O ATOM 0 H GLU B 475 -2.274 -8.060 -12.609 1.00 0.00 H new ATOM 0 HA GLU B 475 -3.455 -5.507 -12.185 1.00 0.00 H new ATOM 0 HB2 GLU B 475 -4.954 -7.191 -12.786 1.00 0.00 H new ATOM 0 HB3 GLU B 475 -4.241 -8.371 -11.705 1.00 0.00 H new ATOM 0 HG2 GLU B 475 -5.394 -7.591 -9.851 1.00 0.00 H new ATOM 0 HG3 GLU B 475 -5.360 -5.924 -10.390 1.00 0.00 H new ATOM 1387 N ASN B 476 -2.025 -6.977 -9.676 1.00 0.00 N ATOM 1388 CA ASN B 476 -1.613 -6.820 -8.292 1.00 0.00 C ATOM 1389 C ASN B 476 -0.734 -5.574 -8.164 1.00 0.00 C ATOM 1390 O ASN B 476 -0.357 -5.187 -7.059 1.00 0.00 O ATOM 1391 CB ASN B 476 -0.796 -8.025 -7.820 1.00 0.00 C ATOM 1392 CG ASN B 476 -0.049 -8.672 -8.987 1.00 0.00 C ATOM 1393 OD1 ASN B 476 0.183 -8.068 -10.021 1.00 0.00 O ATOM 1394 ND2 ASN B 476 0.313 -9.932 -8.765 1.00 0.00 N ATOM 0 H ASN B 476 -1.574 -7.747 -10.170 1.00 0.00 H new ATOM 0 HA ASN B 476 -2.511 -6.732 -7.681 1.00 0.00 H new ATOM 0 HB2 ASN B 476 -0.084 -7.710 -7.058 1.00 0.00 H new ATOM 0 HB3 ASN B 476 -1.456 -8.757 -7.356 1.00 0.00 H new ATOM 0 HD21 ASN B 476 0.817 -10.452 -9.484 1.00 0.00 H new ATOM 0 HD22 ASN B 476 0.087 -10.378 -7.876 1.00 0.00 H new ATOM 1401 N PHE B 477 -0.435 -4.980 -9.310 1.00 0.00 N ATOM 1402 CA PHE B 477 0.392 -3.786 -9.340 1.00 0.00 C ATOM 1403 C PHE B 477 -0.392 -2.590 -9.885 1.00 0.00 C ATOM 1404 O PHE B 477 0.160 -1.502 -10.044 1.00 0.00 O ATOM 1405 CB PHE B 477 1.567 -4.079 -10.274 1.00 0.00 C ATOM 1406 CG PHE B 477 1.973 -2.895 -11.154 1.00 0.00 C ATOM 1407 CD1 PHE B 477 1.160 -2.489 -12.166 1.00 0.00 C ATOM 1408 CD2 PHE B 477 3.147 -2.248 -10.924 1.00 0.00 C ATOM 1409 CE1 PHE B 477 1.537 -1.389 -12.982 1.00 0.00 C ATOM 1410 CE2 PHE B 477 3.524 -1.149 -11.740 1.00 0.00 C ATOM 1411 CZ PHE B 477 2.711 -0.743 -12.752 1.00 0.00 C ATOM 0 H PHE B 477 -0.751 -5.303 -10.224 1.00 0.00 H new ATOM 0 HA PHE B 477 0.726 -3.539 -8.332 1.00 0.00 H new ATOM 0 HB2 PHE B 477 2.425 -4.385 -9.676 1.00 0.00 H new ATOM 0 HB3 PHE B 477 1.307 -4.922 -10.914 1.00 0.00 H new ATOM 0 HD1 PHE B 477 0.228 -3.003 -12.349 1.00 0.00 H new ATOM 0 HD2 PHE B 477 3.793 -2.570 -10.120 1.00 0.00 H new ATOM 0 HE1 PHE B 477 0.891 -1.066 -13.785 1.00 0.00 H new ATOM 0 HE2 PHE B 477 4.456 -0.635 -11.557 1.00 0.00 H new ATOM 0 HZ PHE B 477 2.998 0.093 -13.373 1.00 0.00 H new ATOM 1421 N THR B 478 -1.666 -2.832 -10.156 1.00 0.00 N ATOM 1422 CA THR B 478 -2.531 -1.788 -10.678 1.00 0.00 C ATOM 1423 C THR B 478 -3.810 -1.690 -9.845 1.00 0.00 C ATOM 1424 O THR B 478 -4.023 -2.486 -8.931 1.00 0.00 O ATOM 1425 CB THR B 478 -2.790 -2.084 -12.157 1.00 0.00 C ATOM 1426 OG1 THR B 478 -2.664 -3.500 -12.254 1.00 0.00 O ATOM 1427 CG2 THR B 478 -1.682 -1.548 -13.064 1.00 0.00 C ATOM 0 H THR B 478 -2.120 -3.736 -10.024 1.00 0.00 H new ATOM 0 HA THR B 478 -2.057 -0.809 -10.606 1.00 0.00 H new ATOM 0 HB THR B 478 -3.744 -1.647 -12.453 1.00 0.00 H new ATOM 0 HG1 THR B 478 -1.737 -3.732 -12.472 1.00 0.00 H new ATOM 0 HG21 THR B 478 -1.915 -1.785 -14.102 1.00 0.00 H new ATOM 0 HG22 THR B 478 -1.607 -0.467 -12.947 1.00 0.00 H new ATOM 0 HG23 THR B 478 -0.733 -2.010 -12.791 1.00 0.00 H new ATOM 1435 N GLU B 479 -4.629 -0.707 -10.189 1.00 0.00 N ATOM 1436 CA GLU B 479 -5.882 -0.494 -9.485 1.00 0.00 C ATOM 1437 C GLU B 479 -7.033 -0.347 -10.482 1.00 0.00 C ATOM 1438 O GLU B 479 -6.873 0.269 -11.534 1.00 0.00 O ATOM 1439 CB GLU B 479 -5.794 0.726 -8.565 1.00 0.00 C ATOM 1440 CG GLU B 479 -6.946 0.738 -7.559 1.00 0.00 C ATOM 1441 CD GLU B 479 -6.513 0.132 -6.222 1.00 0.00 C ATOM 1442 OE1 GLU B 479 -5.616 0.732 -5.592 1.00 0.00 O ATOM 1443 OE2 GLU B 479 -7.089 -0.917 -5.861 1.00 0.00 O ATOM 0 H GLU B 479 -4.449 -0.049 -10.947 1.00 0.00 H new ATOM 0 HA GLU B 479 -6.078 -1.366 -8.860 1.00 0.00 H new ATOM 0 HB2 GLU B 479 -4.842 0.717 -8.033 1.00 0.00 H new ATOM 0 HB3 GLU B 479 -5.818 1.638 -9.161 1.00 0.00 H new ATOM 0 HG2 GLU B 479 -7.288 1.761 -7.405 1.00 0.00 H new ATOM 0 HG3 GLU B 479 -7.790 0.177 -7.960 1.00 0.00 H new ATOM 1450 N ARG B 480 -8.168 -0.924 -10.115 1.00 0.00 N ATOM 1451 CA ARG B 480 -9.346 -0.865 -10.964 1.00 0.00 C ATOM 1452 C ARG B 480 -10.062 0.476 -10.786 1.00 0.00 C ATOM 1453 O ARG B 480 -10.172 0.982 -9.671 1.00 0.00 O ATOM 1454 CB ARG B 480 -10.318 -2.001 -10.637 1.00 0.00 C ATOM 1455 CG ARG B 480 -9.581 -3.337 -10.524 1.00 0.00 C ATOM 1456 CD ARG B 480 -10.441 -4.484 -11.060 1.00 0.00 C ATOM 1457 NE ARG B 480 -10.827 -5.387 -9.953 1.00 0.00 N ATOM 1458 CZ ARG B 480 -11.802 -5.122 -9.073 1.00 0.00 C ATOM 1459 NH1 ARG B 480 -12.496 -3.979 -9.166 1.00 0.00 N ATOM 1460 NH2 ARG B 480 -12.084 -6.000 -8.101 1.00 0.00 N ATOM 0 H ARG B 480 -8.297 -1.435 -9.241 1.00 0.00 H new ATOM 0 HA ARG B 480 -9.016 -0.970 -11.997 1.00 0.00 H new ATOM 0 HB2 ARG B 480 -10.833 -1.785 -9.701 1.00 0.00 H new ATOM 0 HB3 ARG B 480 -11.081 -2.067 -11.413 1.00 0.00 H new ATOM 0 HG2 ARG B 480 -8.645 -3.288 -11.081 1.00 0.00 H new ATOM 0 HG3 ARG B 480 -9.323 -3.527 -9.482 1.00 0.00 H new ATOM 0 HD2 ARG B 480 -11.333 -4.086 -11.543 1.00 0.00 H new ATOM 0 HD3 ARG B 480 -9.889 -5.040 -11.818 1.00 0.00 H new ATOM 0 HE ARG B 480 -10.319 -6.266 -9.854 1.00 0.00 H new ATOM 0 HH11 ARG B 480 -12.282 -3.311 -9.907 1.00 0.00 H new ATOM 0 HH12 ARG B 480 -13.238 -3.777 -8.496 1.00 0.00 H new ATOM 0 HH21 ARG B 480 -11.556 -6.870 -8.031 1.00 0.00 H new ATOM 0 HH22 ARG B 480 -12.826 -5.798 -7.431 1.00 0.00 H new ATOM 1474 N VAL B 481 -10.529 1.013 -11.903 1.00 0.00 N ATOM 1475 CA VAL B 481 -11.231 2.286 -11.885 1.00 0.00 C ATOM 1476 C VAL B 481 -12.704 2.056 -12.226 1.00 0.00 C ATOM 1477 O VAL B 481 -13.023 1.309 -13.149 1.00 0.00 O ATOM 1478 CB VAL B 481 -10.545 3.274 -12.831 1.00 0.00 C ATOM 1479 CG1 VAL B 481 -11.190 4.658 -12.739 1.00 0.00 C ATOM 1480 CG2 VAL B 481 -9.043 3.349 -12.552 1.00 0.00 C ATOM 0 H VAL B 481 -10.435 0.590 -12.827 1.00 0.00 H new ATOM 0 HA VAL B 481 -11.194 2.729 -10.890 1.00 0.00 H new ATOM 0 HB VAL B 481 -10.678 2.909 -13.850 1.00 0.00 H new ATOM 0 HG11 VAL B 481 -10.684 5.341 -13.421 1.00 0.00 H new ATOM 0 HG12 VAL B 481 -12.243 4.587 -13.011 1.00 0.00 H new ATOM 0 HG13 VAL B 481 -11.103 5.033 -11.719 1.00 0.00 H new ATOM 0 HG21 VAL B 481 -8.580 4.058 -13.238 1.00 0.00 H new ATOM 0 HG22 VAL B 481 -8.880 3.678 -11.526 1.00 0.00 H new ATOM 0 HG23 VAL B 481 -8.597 2.364 -12.693 1.00 0.00 H new ATOM 1490 N PRO B 482 -13.587 2.730 -11.441 1.00 0.00 N ATOM 1491 CA PRO B 482 -15.020 2.606 -11.649 1.00 0.00 C ATOM 1492 C PRO B 482 -15.465 3.392 -12.884 1.00 0.00 C ATOM 1493 O PRO B 482 -16.004 4.491 -12.764 1.00 0.00 O ATOM 1494 CB PRO B 482 -15.650 3.114 -10.363 1.00 0.00 C ATOM 1495 CG PRO B 482 -14.575 3.933 -9.668 1.00 0.00 C ATOM 1496 CD PRO B 482 -13.247 3.625 -10.339 1.00 0.00 C ATOM 0 HA PRO B 482 -15.328 1.580 -11.849 1.00 0.00 H new ATOM 0 HB2 PRO B 482 -16.530 3.722 -10.573 1.00 0.00 H new ATOM 0 HB3 PRO B 482 -15.977 2.286 -9.735 1.00 0.00 H new ATOM 0 HG2 PRO B 482 -14.801 4.997 -9.739 1.00 0.00 H new ATOM 0 HG3 PRO B 482 -14.533 3.686 -8.607 1.00 0.00 H new ATOM 0 HD2 PRO B 482 -12.766 4.534 -10.701 1.00 0.00 H new ATOM 0 HD3 PRO B 482 -12.553 3.152 -9.644 1.00 0.00 H new