USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=16 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 135:sc= -0.915 (180deg=-3.92!) USER MOD Single : B 413 LYS NZ :NH3+ -170:sc= -1.74! (180deg=-2.08!) USER MOD Single : B 415 GLN :FLIP amide:sc= -1.9 F(o=-3.6!,f=-1.9) USER MOD Single : B 417 GLN : amide:sc= -2.44! C(o=-2.4!,f=-2.1!) USER MOD Single : B 418 HIS : no HD1:sc= -0.977 X(o=-0.98,f=-0.51) USER MOD Single : B 420 TYR OH : rot 93:sc= 0.327 USER MOD Single : B 421 THR OG1 : rot 180:sc= 0 USER MOD Single : B 423 THR OG1 : rot 50:sc= 0.343 USER MOD Single : B 425 THR OG1 : rot -23:sc= 0.587! USER MOD Single : B 429 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.0036) USER MOD Single : B 431 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 453 MET CE :methyl 147:sc= -2.4 (180deg=-4.87!) 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 :FLIP amide:sc= 0.00129 F(o=-0.8,f=0.0013) USER MOD Single : B 462 GLN :FLIP amide:sc= -0.0905 F(o=-0.69,f=-0.091) USER MOD Single : B 463 HIS :FLIP no HD1:sc= -1.43! C(o=-3.3!,f=-1.4!) 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+ -169:sc= 0 (180deg=-0.0138) USER MOD Single : B 469 CYS SG : rot 180:sc= -2.85! USER MOD Single : B 476 ASN : amide:sc= -4.55! C(o=-4.6!,f=-10!) USER MOD Single : B 478 THR OG1 : rot -84:sc= -0.0278 USER MOD ----------------------------------------------------------------- ATOM 67 N PRO A 59 8.024 -7.526 -6.965 1.00 0.00 N ATOM 68 CA PRO A 59 8.447 -8.902 -6.767 1.00 0.00 C ATOM 69 C PRO A 59 9.821 -9.149 -7.392 1.00 0.00 C ATOM 70 O PRO A 59 10.347 -8.293 -8.101 1.00 0.00 O ATOM 71 CB PRO A 59 7.348 -9.746 -7.393 1.00 0.00 C ATOM 72 CG PRO A 59 6.588 -8.815 -8.324 1.00 0.00 C ATOM 73 CD PRO A 59 6.993 -7.389 -7.990 1.00 0.00 C ATOM 0 HA PRO A 59 8.574 -9.155 -5.715 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.767 -10.590 -7.941 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.689 -10.158 -6.629 1.00 0.00 H new ATOM 0 HG2 PRO A 59 6.819 -9.044 -9.364 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.513 -8.945 -8.200 1.00 0.00 H new ATOM 0 HD2 PRO A 59 7.375 -6.870 -8.869 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.144 -6.812 -7.623 1.00 0.00 H new ATOM 81 N PRO A 60 10.377 -10.356 -7.100 1.00 0.00 N ATOM 82 CA PRO A 60 11.679 -10.727 -7.627 1.00 0.00 C ATOM 83 C PRO A 60 11.587 -11.089 -9.111 1.00 0.00 C ATOM 84 O PRO A 60 10.497 -11.321 -9.631 1.00 0.00 O ATOM 85 CB PRO A 60 12.138 -11.887 -6.760 1.00 0.00 C ATOM 86 CG PRO A 60 10.887 -12.423 -6.084 1.00 0.00 C ATOM 87 CD PRO A 60 9.782 -11.394 -6.264 1.00 0.00 C ATOM 0 HA PRO A 60 12.398 -9.909 -7.587 1.00 0.00 H new ATOM 0 HB2 PRO A 60 12.618 -12.659 -7.362 1.00 0.00 H new ATOM 0 HB3 PRO A 60 12.870 -11.558 -6.022 1.00 0.00 H new ATOM 0 HG2 PRO A 60 10.595 -13.377 -6.523 1.00 0.00 H new ATOM 0 HG3 PRO A 60 11.073 -12.603 -5.025 1.00 0.00 H new ATOM 0 HD2 PRO A 60 8.906 -11.833 -6.741 1.00 0.00 H new ATOM 0 HD3 PRO A 60 9.455 -10.992 -5.305 1.00 0.00 H new ATOM 95 N LEU A 61 12.747 -11.126 -9.751 1.00 0.00 N ATOM 96 CA LEU A 61 12.811 -11.456 -11.164 1.00 0.00 C ATOM 97 C LEU A 61 12.179 -12.830 -11.392 1.00 0.00 C ATOM 98 O LEU A 61 12.507 -13.791 -10.698 1.00 0.00 O ATOM 99 CB LEU A 61 14.250 -11.349 -11.675 1.00 0.00 C ATOM 100 CG LEU A 61 14.524 -10.224 -12.675 1.00 0.00 C ATOM 101 CD1 LEU A 61 15.899 -9.599 -12.433 1.00 0.00 C ATOM 102 CD2 LEU A 61 14.366 -10.720 -14.114 1.00 0.00 C ATOM 0 H LEU A 61 13.649 -10.933 -9.317 1.00 0.00 H new ATOM 0 HA LEU A 61 12.235 -10.739 -11.749 1.00 0.00 H new ATOM 0 HB2 LEU A 61 14.910 -11.215 -10.818 1.00 0.00 H new ATOM 0 HB3 LEU A 61 14.521 -12.297 -12.141 1.00 0.00 H new ATOM 0 HG LEU A 61 13.782 -9.441 -12.520 1.00 0.00 H new ATOM 0 HD11 LEU A 61 16.069 -8.802 -13.157 1.00 0.00 H new ATOM 0 HD12 LEU A 61 15.939 -9.188 -11.424 1.00 0.00 H new ATOM 0 HD13 LEU A 61 16.670 -10.361 -12.545 1.00 0.00 H new ATOM 0 HD21 LEU A 61 14.566 -9.901 -14.805 1.00 0.00 H new ATOM 0 HD22 LEU A 61 15.070 -11.531 -14.299 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.349 -11.081 -14.265 1.00 0.00 H new ATOM 114 N SER A 62 11.283 -12.880 -12.367 1.00 0.00 N ATOM 115 CA SER A 62 10.602 -14.121 -12.696 1.00 0.00 C ATOM 116 C SER A 62 11.385 -14.879 -13.770 1.00 0.00 C ATOM 117 O SER A 62 12.159 -14.282 -14.516 1.00 0.00 O ATOM 118 CB SER A 62 9.172 -13.856 -13.169 1.00 0.00 C ATOM 119 OG SER A 62 9.139 -13.065 -14.354 1.00 0.00 O ATOM 0 H SER A 62 11.013 -12.081 -12.940 1.00 0.00 H new ATOM 0 HA SER A 62 10.550 -14.732 -11.795 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.669 -14.806 -13.353 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.617 -13.349 -12.379 1.00 0.00 H new ATOM 0 HG SER A 62 8.208 -12.920 -14.624 1.00 0.00 H new ATOM 125 N PRO A 63 11.150 -16.217 -13.815 1.00 0.00 N ATOM 126 CA PRO A 63 11.823 -17.063 -14.786 1.00 0.00 C ATOM 127 C PRO A 63 11.228 -16.876 -16.183 1.00 0.00 C ATOM 128 O PRO A 63 10.231 -16.175 -16.348 1.00 0.00 O ATOM 129 CB PRO A 63 11.660 -18.478 -14.255 1.00 0.00 C ATOM 130 CG PRO A 63 10.511 -18.421 -13.262 1.00 0.00 C ATOM 131 CD PRO A 63 10.240 -16.959 -12.947 1.00 0.00 C ATOM 0 HA PRO A 63 12.878 -16.814 -14.901 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.443 -19.176 -15.064 1.00 0.00 H new ATOM 0 HB3 PRO A 63 12.575 -18.822 -13.774 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.622 -18.893 -13.680 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.764 -18.967 -12.353 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.201 -16.697 -13.147 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.428 -16.739 -11.896 1.00 0.00 H new ATOM 279 N LEU B 406 -14.097 -11.387 -27.571 1.00 0.00 N ATOM 280 CA LEU B 406 -13.358 -11.389 -26.320 1.00 0.00 C ATOM 281 C LEU B 406 -12.493 -12.650 -26.246 1.00 0.00 C ATOM 282 O LEU B 406 -12.750 -13.625 -26.951 1.00 0.00 O ATOM 283 CB LEU B 406 -14.310 -11.227 -25.134 1.00 0.00 C ATOM 284 CG LEU B 406 -14.489 -12.458 -24.243 1.00 0.00 C ATOM 285 CD1 LEU B 406 -15.005 -12.063 -22.858 1.00 0.00 C ATOM 286 CD2 LEU B 406 -15.391 -13.495 -24.916 1.00 0.00 C ATOM 0 HA LEU B 406 -12.683 -10.534 -26.276 1.00 0.00 H new ATOM 0 HB2 LEU B 406 -13.951 -10.405 -24.515 1.00 0.00 H new ATOM 0 HB3 LEU B 406 -15.288 -10.935 -25.516 1.00 0.00 H new ATOM 0 HG LEU B 406 -13.513 -12.922 -24.102 1.00 0.00 H new ATOM 0 HD11 LEU B 406 -15.123 -12.957 -22.245 1.00 0.00 H new ATOM 0 HD12 LEU B 406 -14.292 -11.389 -22.383 1.00 0.00 H new ATOM 0 HD13 LEU B 406 -15.968 -11.562 -22.958 1.00 0.00 H new ATOM 0 HD21 LEU B 406 -15.502 -14.360 -24.262 1.00 0.00 H new ATOM 0 HD22 LEU B 406 -16.370 -13.056 -25.107 1.00 0.00 H new ATOM 0 HD23 LEU B 406 -14.944 -13.809 -25.859 1.00 0.00 H new ATOM 298 N PRO B 407 -11.461 -12.588 -25.363 1.00 0.00 N ATOM 299 CA PRO B 407 -10.557 -13.712 -25.188 1.00 0.00 C ATOM 300 C PRO B 407 -11.223 -14.830 -24.383 1.00 0.00 C ATOM 301 O PRO B 407 -11.841 -14.574 -23.351 1.00 0.00 O ATOM 302 CB PRO B 407 -9.334 -13.130 -24.497 1.00 0.00 C ATOM 303 CG PRO B 407 -9.785 -11.809 -23.895 1.00 0.00 C ATOM 304 CD PRO B 407 -11.127 -11.449 -24.512 1.00 0.00 C ATOM 0 HA PRO B 407 -10.279 -14.180 -26.133 1.00 0.00 H new ATOM 0 HB2 PRO B 407 -8.963 -13.805 -23.725 1.00 0.00 H new ATOM 0 HB3 PRO B 407 -8.520 -12.979 -25.206 1.00 0.00 H new ATOM 0 HG2 PRO B 407 -9.873 -11.894 -22.812 1.00 0.00 H new ATOM 0 HG3 PRO B 407 -9.051 -11.028 -24.095 1.00 0.00 H new ATOM 0 HD2 PRO B 407 -11.886 -11.291 -23.745 1.00 0.00 H new ATOM 0 HD3 PRO B 407 -11.062 -10.528 -25.091 1.00 0.00 H new ATOM 312 N PRO B 408 -11.070 -16.079 -24.900 1.00 0.00 N ATOM 313 CA PRO B 408 -11.649 -17.237 -24.241 1.00 0.00 C ATOM 314 C PRO B 408 -10.846 -17.617 -22.995 1.00 0.00 C ATOM 315 O PRO B 408 -9.622 -17.492 -22.978 1.00 0.00 O ATOM 316 CB PRO B 408 -11.655 -18.329 -25.298 1.00 0.00 C ATOM 317 CG PRO B 408 -10.662 -17.887 -26.360 1.00 0.00 C ATOM 318 CD PRO B 408 -10.345 -16.420 -26.120 1.00 0.00 C ATOM 0 HA PRO B 408 -12.658 -17.051 -23.873 1.00 0.00 H new ATOM 0 HB2 PRO B 408 -11.367 -19.289 -24.869 1.00 0.00 H new ATOM 0 HB3 PRO B 408 -12.651 -18.456 -25.723 1.00 0.00 H new ATOM 0 HG2 PRO B 408 -9.754 -18.487 -26.307 1.00 0.00 H new ATOM 0 HG3 PRO B 408 -11.080 -18.029 -27.356 1.00 0.00 H new ATOM 0 HD2 PRO B 408 -9.273 -16.261 -26.001 1.00 0.00 H new ATOM 0 HD3 PRO B 408 -10.668 -15.803 -26.958 1.00 0.00 H new ATOM 326 N GLY B 409 -11.567 -18.073 -21.981 1.00 0.00 N ATOM 327 CA GLY B 409 -10.938 -18.471 -20.734 1.00 0.00 C ATOM 328 C GLY B 409 -10.799 -17.280 -19.784 1.00 0.00 C ATOM 329 O GLY B 409 -10.714 -17.456 -18.570 1.00 0.00 O ATOM 0 H GLY B 409 -12.582 -18.176 -21.998 1.00 0.00 H new ATOM 0 HA2 GLY B 409 -11.529 -19.253 -20.258 1.00 0.00 H new ATOM 0 HA3 GLY B 409 -9.955 -18.895 -20.938 1.00 0.00 H new ATOM 333 N PHE B 410 -10.781 -16.093 -20.373 1.00 0.00 N ATOM 334 CA PHE B 410 -10.654 -14.873 -19.595 1.00 0.00 C ATOM 335 C PHE B 410 -11.396 -14.993 -18.262 1.00 0.00 C ATOM 336 O PHE B 410 -12.417 -15.674 -18.175 1.00 0.00 O ATOM 337 CB PHE B 410 -11.288 -13.749 -20.418 1.00 0.00 C ATOM 338 CG PHE B 410 -11.691 -12.525 -19.594 1.00 0.00 C ATOM 339 CD1 PHE B 410 -10.747 -11.632 -19.196 1.00 0.00 C ATOM 340 CD2 PHE B 410 -12.995 -12.331 -19.258 1.00 0.00 C ATOM 341 CE1 PHE B 410 -11.121 -10.496 -18.431 1.00 0.00 C ATOM 342 CE2 PHE B 410 -13.370 -11.195 -18.493 1.00 0.00 C ATOM 343 CZ PHE B 410 -12.425 -10.301 -18.096 1.00 0.00 C ATOM 0 H PHE B 410 -10.852 -15.951 -21.380 1.00 0.00 H new ATOM 0 HA PHE B 410 -9.604 -14.677 -19.380 1.00 0.00 H new ATOM 0 HB2 PHE B 410 -10.585 -13.438 -21.191 1.00 0.00 H new ATOM 0 HB3 PHE B 410 -12.170 -14.138 -20.927 1.00 0.00 H new ATOM 0 HD1 PHE B 410 -9.712 -11.787 -19.462 1.00 0.00 H new ATOM 0 HD2 PHE B 410 -13.745 -13.041 -19.573 1.00 0.00 H new ATOM 0 HE1 PHE B 410 -10.370 -9.787 -18.115 1.00 0.00 H new ATOM 0 HE2 PHE B 410 -14.405 -11.041 -18.227 1.00 0.00 H new ATOM 0 HZ PHE B 410 -12.710 -9.436 -17.515 1.00 0.00 H new ATOM 353 N MET B 411 -10.853 -14.322 -17.257 1.00 0.00 N ATOM 354 CA MET B 411 -11.451 -14.344 -15.933 1.00 0.00 C ATOM 355 C MET B 411 -12.062 -12.985 -15.584 1.00 0.00 C ATOM 356 O MET B 411 -13.283 -12.848 -15.516 1.00 0.00 O ATOM 357 CB MET B 411 -10.385 -14.705 -14.897 1.00 0.00 C ATOM 358 CG MET B 411 -9.690 -16.019 -15.261 1.00 0.00 C ATOM 359 SD MET B 411 -8.840 -16.675 -13.836 1.00 0.00 S ATOM 360 CE MET B 411 -7.206 -16.890 -14.522 1.00 0.00 C ATOM 0 H MET B 411 -10.005 -13.760 -17.333 1.00 0.00 H new ATOM 0 HA MET B 411 -12.245 -15.091 -15.926 1.00 0.00 H new ATOM 0 HB2 MET B 411 -9.648 -13.905 -14.834 1.00 0.00 H new ATOM 0 HB3 MET B 411 -10.844 -14.793 -13.912 1.00 0.00 H new ATOM 0 HG2 MET B 411 -10.424 -16.740 -15.621 1.00 0.00 H new ATOM 0 HG3 MET B 411 -8.982 -15.853 -16.073 1.00 0.00 H new ATOM 0 HE1 MET B 411 -6.463 -16.515 -13.818 1.00 0.00 H new ATOM 0 HE2 MET B 411 -7.027 -17.949 -14.710 1.00 0.00 H new ATOM 0 HE3 MET B 411 -7.129 -16.337 -15.458 1.00 0.00 H new ATOM 370 N PHE B 412 -11.185 -12.014 -15.374 1.00 0.00 N ATOM 371 CA PHE B 412 -11.623 -10.672 -15.032 1.00 0.00 C ATOM 372 C PHE B 412 -10.550 -9.639 -15.384 1.00 0.00 C ATOM 373 O PHE B 412 -9.488 -9.992 -15.896 1.00 0.00 O ATOM 374 CB PHE B 412 -11.860 -10.649 -13.521 1.00 0.00 C ATOM 375 CG PHE B 412 -10.720 -11.260 -12.703 1.00 0.00 C ATOM 376 CD1 PHE B 412 -9.606 -10.526 -12.435 1.00 0.00 C ATOM 377 CD2 PHE B 412 -10.820 -12.536 -12.244 1.00 0.00 C ATOM 378 CE1 PHE B 412 -8.549 -11.093 -11.676 1.00 0.00 C ATOM 379 CE2 PHE B 412 -9.763 -13.103 -11.485 1.00 0.00 C ATOM 380 CZ PHE B 412 -8.649 -12.370 -11.217 1.00 0.00 C ATOM 0 H PHE B 412 -10.173 -12.130 -15.434 1.00 0.00 H new ATOM 0 HA PHE B 412 -12.526 -10.423 -15.589 1.00 0.00 H new ATOM 0 HB2 PHE B 412 -12.010 -9.617 -13.203 1.00 0.00 H new ATOM 0 HB3 PHE B 412 -12.781 -11.188 -13.300 1.00 0.00 H new ATOM 0 HD1 PHE B 412 -9.526 -9.513 -12.800 1.00 0.00 H new ATOM 0 HD2 PHE B 412 -11.704 -13.118 -12.457 1.00 0.00 H new ATOM 0 HE1 PHE B 412 -7.665 -10.511 -11.463 1.00 0.00 H new ATOM 0 HE2 PHE B 412 -9.843 -14.116 -11.120 1.00 0.00 H new ATOM 0 HZ PHE B 412 -7.844 -12.801 -10.640 1.00 0.00 H new ATOM 390 N LYS B 413 -10.863 -8.385 -15.095 1.00 0.00 N ATOM 391 CA LYS B 413 -9.939 -7.299 -15.374 1.00 0.00 C ATOM 392 C LYS B 413 -9.215 -6.907 -14.085 1.00 0.00 C ATOM 393 O LYS B 413 -9.783 -6.995 -12.998 1.00 0.00 O ATOM 394 CB LYS B 413 -10.669 -6.135 -16.048 1.00 0.00 C ATOM 395 CG LYS B 413 -9.755 -5.419 -17.045 1.00 0.00 C ATOM 396 CD LYS B 413 -9.823 -3.902 -16.859 1.00 0.00 C ATOM 397 CE LYS B 413 -9.012 -3.463 -15.638 1.00 0.00 C ATOM 398 NZ LYS B 413 -9.682 -2.336 -14.950 1.00 0.00 N ATOM 0 H LYS B 413 -11.744 -8.096 -14.670 1.00 0.00 H new ATOM 0 HA LYS B 413 -9.176 -7.620 -16.083 1.00 0.00 H new ATOM 0 HB2 LYS B 413 -11.555 -6.506 -16.563 1.00 0.00 H new ATOM 0 HB3 LYS B 413 -11.012 -5.429 -15.292 1.00 0.00 H new ATOM 0 HG2 LYS B 413 -8.728 -5.760 -16.912 1.00 0.00 H new ATOM 0 HG3 LYS B 413 -10.047 -5.678 -18.063 1.00 0.00 H new ATOM 0 HD2 LYS B 413 -9.442 -3.405 -17.751 1.00 0.00 H new ATOM 0 HD3 LYS B 413 -10.861 -3.593 -16.741 1.00 0.00 H new ATOM 0 HE2 LYS B 413 -8.897 -4.300 -14.950 1.00 0.00 H new ATOM 0 HE3 LYS B 413 -8.010 -3.165 -15.947 1.00 0.00 H new ATOM 0 HZ1 LYS B 413 -9.044 -1.940 -14.231 1.00 0.00 H new ATOM 0 HZ2 LYS B 413 -9.922 -1.599 -15.644 1.00 0.00 H new ATOM 0 HZ3 LYS B 413 -10.551 -2.676 -14.492 1.00 0.00 H new ATOM 412 N VAL B 414 -7.971 -6.482 -14.249 1.00 0.00 N ATOM 413 CA VAL B 414 -7.162 -6.077 -13.112 1.00 0.00 C ATOM 414 C VAL B 414 -6.638 -4.658 -13.343 1.00 0.00 C ATOM 415 O VAL B 414 -6.721 -4.135 -14.453 1.00 0.00 O ATOM 416 CB VAL B 414 -6.046 -7.096 -12.874 1.00 0.00 C ATOM 417 CG1 VAL B 414 -6.610 -8.515 -12.777 1.00 0.00 C ATOM 418 CG2 VAL B 414 -4.978 -7.004 -13.967 1.00 0.00 C ATOM 0 H VAL B 414 -7.503 -6.409 -15.153 1.00 0.00 H new ATOM 0 HA VAL B 414 -7.764 -6.057 -12.203 1.00 0.00 H new ATOM 0 HB VAL B 414 -5.573 -6.858 -11.921 1.00 0.00 H new ATOM 0 HG11 VAL B 414 -5.796 -9.219 -12.608 1.00 0.00 H new ATOM 0 HG12 VAL B 414 -7.316 -8.570 -11.948 1.00 0.00 H new ATOM 0 HG13 VAL B 414 -7.121 -8.768 -13.706 1.00 0.00 H new ATOM 0 HG21 VAL B 414 -4.196 -7.739 -13.774 1.00 0.00 H new ATOM 0 HG22 VAL B 414 -5.432 -7.204 -14.937 1.00 0.00 H new ATOM 0 HG23 VAL B 414 -4.544 -6.004 -13.968 1.00 0.00 H new ATOM 428 N GLN B 415 -6.108 -4.076 -12.277 1.00 0.00 N ATOM 429 CA GLN B 415 -5.570 -2.729 -12.350 1.00 0.00 C ATOM 430 C GLN B 415 -4.195 -2.669 -11.681 1.00 0.00 C ATOM 431 O GLN B 415 -4.057 -3.014 -10.508 1.00 0.00 O ATOM 432 CB GLN B 415 -6.531 -1.719 -11.720 1.00 0.00 C ATOM 433 CG GLN B 415 -5.868 -0.348 -11.574 1.00 0.00 C ATOM 434 CD GLN B 415 -6.341 0.609 -12.671 1.00 0.00 C ATOM 435 OE1 GLN B 415 -5.466 0.773 -13.659 1.00 0.00 O flip ATOM 436 NE2 GLN B 415 -7.427 1.161 -12.623 1.00 0.00 N flip ATOM 0 H GLN B 415 -6.040 -4.513 -11.358 1.00 0.00 H new ATOM 0 HA GLN B 415 -5.453 -2.463 -13.400 1.00 0.00 H new ATOM 0 HB2 GLN B 415 -7.426 -1.630 -12.336 1.00 0.00 H new ATOM 0 HB3 GLN B 415 -6.851 -2.078 -10.742 1.00 0.00 H new ATOM 0 HG2 GLN B 415 -6.102 0.071 -10.595 1.00 0.00 H new ATOM 0 HG3 GLN B 415 -4.785 -0.457 -11.623 1.00 0.00 H new ATOM 0 HE21 GLN B 415 -8.051 0.990 -11.835 1.00 0.00 H new ATOM 0 HE22 GLN B 415 -7.711 1.793 -13.371 1.00 0.00 H new ATOM 445 N ALA B 416 -3.214 -2.229 -12.454 1.00 0.00 N ATOM 446 CA ALA B 416 -1.855 -2.120 -11.951 1.00 0.00 C ATOM 447 C ALA B 416 -1.772 -0.949 -10.970 1.00 0.00 C ATOM 448 O ALA B 416 -2.444 0.066 -11.150 1.00 0.00 O ATOM 449 CB ALA B 416 -0.886 -1.967 -13.125 1.00 0.00 C ATOM 0 H ALA B 416 -3.333 -1.943 -13.426 1.00 0.00 H new ATOM 0 HA ALA B 416 -1.572 -3.024 -11.411 1.00 0.00 H new ATOM 0 HB1 ALA B 416 0.133 -1.885 -12.747 1.00 0.00 H new ATOM 0 HB2 ALA B 416 -0.963 -2.838 -13.776 1.00 0.00 H new ATOM 0 HB3 ALA B 416 -1.137 -1.069 -13.689 1.00 0.00 H new ATOM 455 N GLN B 417 -0.942 -1.128 -9.953 1.00 0.00 N ATOM 456 CA GLN B 417 -0.762 -0.098 -8.944 1.00 0.00 C ATOM 457 C GLN B 417 0.679 0.416 -8.961 1.00 0.00 C ATOM 458 O GLN B 417 1.053 1.253 -8.141 1.00 0.00 O ATOM 459 CB GLN B 417 -1.142 -0.618 -7.556 1.00 0.00 C ATOM 460 CG GLN B 417 -2.286 -1.630 -7.645 1.00 0.00 C ATOM 461 CD GLN B 417 -2.850 -1.943 -6.257 1.00 0.00 C ATOM 462 OE1 GLN B 417 -3.353 -1.081 -5.555 1.00 0.00 O ATOM 463 NE2 GLN B 417 -2.740 -3.220 -5.903 1.00 0.00 N ATOM 0 H GLN B 417 -0.387 -1.971 -9.806 1.00 0.00 H new ATOM 0 HA GLN B 417 -1.426 0.733 -9.179 1.00 0.00 H new ATOM 0 HB2 GLN B 417 -0.275 -1.084 -7.088 1.00 0.00 H new ATOM 0 HB3 GLN B 417 -1.438 0.216 -6.920 1.00 0.00 H new ATOM 0 HG2 GLN B 417 -3.077 -1.235 -8.282 1.00 0.00 H new ATOM 0 HG3 GLN B 417 -1.929 -2.548 -8.112 1.00 0.00 H new ATOM 0 HE21 GLN B 417 -2.308 -3.890 -6.539 1.00 0.00 H new ATOM 0 HE22 GLN B 417 -3.088 -3.529 -4.995 1.00 0.00 H new ATOM 472 N HIS B 418 1.449 -0.107 -9.904 1.00 0.00 N ATOM 473 CA HIS B 418 2.841 0.289 -10.039 1.00 0.00 C ATOM 474 C HIS B 418 3.253 0.222 -11.510 1.00 0.00 C ATOM 475 O HIS B 418 2.517 -0.307 -12.342 1.00 0.00 O ATOM 476 CB HIS B 418 3.737 -0.558 -9.133 1.00 0.00 C ATOM 477 CG HIS B 418 3.509 -0.331 -7.657 1.00 0.00 C ATOM 478 ND1 HIS B 418 4.232 0.591 -6.920 1.00 0.00 N ATOM 479 CD2 HIS B 418 2.631 -0.914 -6.791 1.00 0.00 C ATOM 480 CE1 HIS B 418 3.801 0.555 -5.668 1.00 0.00 C ATOM 481 NE2 HIS B 418 2.810 -0.378 -5.589 1.00 0.00 N ATOM 0 H HIS B 418 1.136 -0.802 -10.582 1.00 0.00 H new ATOM 0 HA HIS B 418 2.963 1.321 -9.710 1.00 0.00 H new ATOM 0 HB2 HIS B 418 3.571 -1.612 -9.358 1.00 0.00 H new ATOM 0 HB3 HIS B 418 4.780 -0.342 -9.366 1.00 0.00 H new ATOM 0 HD2 HIS B 418 1.913 -1.681 -7.040 1.00 0.00 H new ATOM 0 HE1 HIS B 418 4.170 1.159 -4.852 1.00 0.00 H new ATOM 0 HE2 HIS B 418 2.291 -0.624 -4.746 1.00 0.00 H new ATOM 489 N ASP B 419 4.429 0.765 -11.787 1.00 0.00 N ATOM 490 CA ASP B 419 4.949 0.773 -13.144 1.00 0.00 C ATOM 491 C ASP B 419 6.175 -0.139 -13.222 1.00 0.00 C ATOM 492 O ASP B 419 7.272 0.255 -12.827 1.00 0.00 O ATOM 493 CB ASP B 419 5.380 2.181 -13.561 1.00 0.00 C ATOM 494 CG ASP B 419 6.481 2.802 -12.699 1.00 0.00 C ATOM 495 OD1 ASP B 419 6.119 3.440 -11.687 1.00 0.00 O ATOM 496 OD2 ASP B 419 7.661 2.624 -13.072 1.00 0.00 O ATOM 0 H ASP B 419 5.037 1.203 -11.095 1.00 0.00 H new ATOM 0 HA ASP B 419 4.158 0.426 -13.809 1.00 0.00 H new ATOM 0 HB2 ASP B 419 5.724 2.148 -14.595 1.00 0.00 H new ATOM 0 HB3 ASP B 419 4.508 2.834 -13.536 1.00 0.00 H new ATOM 501 N TYR B 420 5.948 -1.339 -13.734 1.00 0.00 N ATOM 502 CA TYR B 420 7.021 -2.310 -13.868 1.00 0.00 C ATOM 503 C TYR B 420 7.334 -2.582 -15.341 1.00 0.00 C ATOM 504 O TYR B 420 6.479 -3.065 -16.082 1.00 0.00 O ATOM 505 CB TYR B 420 6.507 -3.598 -13.222 1.00 0.00 C ATOM 506 CG TYR B 420 7.061 -4.876 -13.855 1.00 0.00 C ATOM 507 CD1 TYR B 420 8.338 -5.301 -13.547 1.00 0.00 C ATOM 508 CD2 TYR B 420 6.285 -5.604 -14.734 1.00 0.00 C ATOM 509 CE1 TYR B 420 8.860 -6.504 -14.142 1.00 0.00 C ATOM 510 CE2 TYR B 420 6.807 -6.807 -15.329 1.00 0.00 C ATOM 511 CZ TYR B 420 8.069 -7.197 -15.004 1.00 0.00 C ATOM 512 OH TYR B 420 8.562 -8.333 -15.566 1.00 0.00 O ATOM 0 H TYR B 420 5.037 -1.661 -14.061 1.00 0.00 H new ATOM 0 HA TYR B 420 7.933 -1.941 -13.398 1.00 0.00 H new ATOM 0 HB2 TYR B 420 6.764 -3.589 -12.163 1.00 0.00 H new ATOM 0 HB3 TYR B 420 5.419 -3.615 -13.286 1.00 0.00 H new ATOM 0 HD1 TYR B 420 8.946 -4.731 -12.860 1.00 0.00 H new ATOM 0 HD2 TYR B 420 5.286 -5.271 -14.976 1.00 0.00 H new ATOM 0 HE1 TYR B 420 9.857 -6.848 -13.909 1.00 0.00 H new ATOM 0 HE2 TYR B 420 6.210 -7.386 -16.018 1.00 0.00 H new ATOM 0 HH TYR B 420 8.311 -9.105 -15.017 1.00 0.00 H new ATOM 522 N THR B 421 8.562 -2.260 -15.721 1.00 0.00 N ATOM 523 CA THR B 421 8.998 -2.465 -17.092 1.00 0.00 C ATOM 524 C THR B 421 9.443 -3.914 -17.299 1.00 0.00 C ATOM 525 O THR B 421 10.431 -4.354 -16.712 1.00 0.00 O ATOM 526 CB THR B 421 10.095 -1.442 -17.396 1.00 0.00 C ATOM 527 OG1 THR B 421 9.389 -0.320 -17.917 1.00 0.00 O ATOM 528 CG2 THR B 421 11.001 -1.881 -18.549 1.00 0.00 C ATOM 0 H THR B 421 9.268 -1.859 -15.104 1.00 0.00 H new ATOM 0 HA THR B 421 8.181 -2.306 -17.796 1.00 0.00 H new ATOM 0 HB THR B 421 10.698 -1.279 -16.502 1.00 0.00 H new ATOM 0 HG1 THR B 421 10.025 0.392 -18.139 1.00 0.00 H new ATOM 0 HG21 THR B 421 11.762 -1.120 -18.724 1.00 0.00 H new ATOM 0 HG22 THR B 421 11.483 -2.825 -18.294 1.00 0.00 H new ATOM 0 HG23 THR B 421 10.404 -2.011 -19.452 1.00 0.00 H new ATOM 536 N ALA B 422 8.694 -4.615 -18.137 1.00 0.00 N ATOM 537 CA ALA B 422 8.999 -6.005 -18.429 1.00 0.00 C ATOM 538 C ALA B 422 9.489 -6.123 -19.874 1.00 0.00 C ATOM 539 O ALA B 422 8.743 -5.841 -20.811 1.00 0.00 O ATOM 540 CB ALA B 422 7.763 -6.867 -18.161 1.00 0.00 C ATOM 0 H ALA B 422 7.877 -4.246 -18.623 1.00 0.00 H new ATOM 0 HA ALA B 422 9.796 -6.367 -17.780 1.00 0.00 H new ATOM 0 HB1 ALA B 422 7.992 -7.910 -18.380 1.00 0.00 H new ATOM 0 HB2 ALA B 422 7.473 -6.771 -17.115 1.00 0.00 H new ATOM 0 HB3 ALA B 422 6.943 -6.534 -18.797 1.00 0.00 H new ATOM 546 N THR B 423 10.739 -6.539 -20.009 1.00 0.00 N ATOM 547 CA THR B 423 11.338 -6.696 -21.324 1.00 0.00 C ATOM 548 C THR B 423 11.769 -8.147 -21.543 1.00 0.00 C ATOM 549 O THR B 423 12.871 -8.536 -21.159 1.00 0.00 O ATOM 550 CB THR B 423 12.489 -5.695 -21.442 1.00 0.00 C ATOM 551 OG1 THR B 423 13.229 -5.873 -20.237 1.00 0.00 O ATOM 552 CG2 THR B 423 12.012 -4.243 -21.375 1.00 0.00 C ATOM 0 H THR B 423 11.354 -6.772 -19.230 1.00 0.00 H new ATOM 0 HA THR B 423 10.619 -6.481 -22.115 1.00 0.00 H new ATOM 0 HB THR B 423 13.018 -5.860 -22.381 1.00 0.00 H new ATOM 0 HG1 THR B 423 13.415 -6.826 -20.105 1.00 0.00 H new ATOM 0 HG21 THR B 423 12.868 -3.574 -21.463 1.00 0.00 H new ATOM 0 HG22 THR B 423 11.316 -4.051 -22.191 1.00 0.00 H new ATOM 0 HG23 THR B 423 11.512 -4.068 -20.422 1.00 0.00 H new ATOM 560 N ASP B 424 10.878 -8.909 -22.161 1.00 0.00 N ATOM 561 CA ASP B 424 11.152 -10.309 -22.435 1.00 0.00 C ATOM 562 C ASP B 424 10.575 -10.679 -23.803 1.00 0.00 C ATOM 563 O ASP B 424 10.065 -9.818 -24.518 1.00 0.00 O ATOM 564 CB ASP B 424 10.501 -11.214 -21.387 1.00 0.00 C ATOM 565 CG ASP B 424 11.266 -12.502 -21.079 1.00 0.00 C ATOM 566 OD1 ASP B 424 12.131 -12.447 -20.178 1.00 0.00 O ATOM 567 OD2 ASP B 424 10.970 -13.513 -21.752 1.00 0.00 O ATOM 0 H ASP B 424 9.966 -8.583 -22.480 1.00 0.00 H new ATOM 0 HA ASP B 424 12.232 -10.451 -22.413 1.00 0.00 H new ATOM 0 HB2 ASP B 424 10.385 -10.648 -20.462 1.00 0.00 H new ATOM 0 HB3 ASP B 424 9.500 -11.477 -21.728 1.00 0.00 H new ATOM 572 N THR B 425 10.676 -11.960 -24.126 1.00 0.00 N ATOM 573 CA THR B 425 10.170 -12.454 -25.395 1.00 0.00 C ATOM 574 C THR B 425 8.681 -12.785 -25.283 1.00 0.00 C ATOM 575 O THR B 425 8.040 -13.124 -26.277 1.00 0.00 O ATOM 576 CB THR B 425 11.029 -13.649 -25.813 1.00 0.00 C ATOM 577 OG1 THR B 425 10.465 -14.064 -27.054 1.00 0.00 O ATOM 578 CG2 THR B 425 10.837 -14.858 -24.894 1.00 0.00 C ATOM 0 H THR B 425 11.101 -12.671 -23.531 1.00 0.00 H new ATOM 0 HA THR B 425 10.244 -11.694 -26.173 1.00 0.00 H new ATOM 0 HB THR B 425 12.079 -13.358 -25.816 1.00 0.00 H new ATOM 0 HG1 THR B 425 9.537 -13.755 -27.111 1.00 0.00 H new ATOM 0 HG21 THR B 425 11.469 -15.678 -25.235 1.00 0.00 H new ATOM 0 HG22 THR B 425 11.112 -14.587 -23.875 1.00 0.00 H new ATOM 0 HG23 THR B 425 9.793 -15.171 -24.917 1.00 0.00 H new ATOM 586 N ASP B 426 8.173 -12.675 -24.064 1.00 0.00 N ATOM 587 CA ASP B 426 6.771 -12.960 -23.809 1.00 0.00 C ATOM 588 C ASP B 426 6.374 -12.374 -22.453 1.00 0.00 C ATOM 589 O ASP B 426 5.613 -12.987 -21.706 1.00 0.00 O ATOM 590 CB ASP B 426 6.514 -14.468 -23.766 1.00 0.00 C ATOM 591 CG ASP B 426 6.725 -15.198 -25.094 1.00 0.00 C ATOM 592 OD1 ASP B 426 6.187 -14.701 -26.106 1.00 0.00 O ATOM 593 OD2 ASP B 426 7.419 -16.237 -25.066 1.00 0.00 O ATOM 0 H ASP B 426 8.707 -12.392 -23.242 1.00 0.00 H new ATOM 0 HA ASP B 426 6.185 -12.517 -24.615 1.00 0.00 H new ATOM 0 HB2 ASP B 426 7.169 -14.912 -23.017 1.00 0.00 H new ATOM 0 HB3 ASP B 426 5.490 -14.637 -23.434 1.00 0.00 H new ATOM 598 N GLU B 427 6.908 -11.193 -22.176 1.00 0.00 N ATOM 599 CA GLU B 427 6.619 -10.517 -20.922 1.00 0.00 C ATOM 600 C GLU B 427 5.429 -9.571 -21.092 1.00 0.00 C ATOM 601 O GLU B 427 4.969 -9.340 -22.209 1.00 0.00 O ATOM 602 CB GLU B 427 7.848 -9.764 -20.409 1.00 0.00 C ATOM 603 CG GLU B 427 8.378 -10.394 -19.119 1.00 0.00 C ATOM 604 CD GLU B 427 7.249 -10.606 -18.109 1.00 0.00 C ATOM 605 OE1 GLU B 427 6.674 -9.584 -17.677 1.00 0.00 O ATOM 606 OE2 GLU B 427 6.985 -11.786 -17.792 1.00 0.00 O ATOM 0 H GLU B 427 7.539 -10.687 -22.798 1.00 0.00 H new ATOM 0 HA GLU B 427 6.358 -11.269 -20.178 1.00 0.00 H new ATOM 0 HB2 GLU B 427 8.628 -9.773 -21.170 1.00 0.00 H new ATOM 0 HB3 GLU B 427 7.591 -8.720 -20.229 1.00 0.00 H new ATOM 0 HG2 GLU B 427 8.853 -11.349 -19.345 1.00 0.00 H new ATOM 0 HG3 GLU B 427 9.144 -9.752 -18.684 1.00 0.00 H new ATOM 613 N LEU B 428 4.963 -9.049 -19.967 1.00 0.00 N ATOM 614 CA LEU B 428 3.835 -8.134 -19.977 1.00 0.00 C ATOM 615 C LEU B 428 4.185 -6.890 -19.158 1.00 0.00 C ATOM 616 O LEU B 428 4.358 -6.970 -17.943 1.00 0.00 O ATOM 617 CB LEU B 428 2.565 -8.844 -19.503 1.00 0.00 C ATOM 618 CG LEU B 428 1.307 -8.596 -20.338 1.00 0.00 C ATOM 619 CD1 LEU B 428 0.877 -7.130 -20.259 1.00 0.00 C ATOM 620 CD2 LEU B 428 1.507 -9.058 -21.782 1.00 0.00 C ATOM 0 H LEU B 428 5.347 -9.243 -19.042 1.00 0.00 H new ATOM 0 HA LEU B 428 3.626 -7.799 -20.993 1.00 0.00 H new ATOM 0 HB2 LEU B 428 2.758 -9.917 -19.483 1.00 0.00 H new ATOM 0 HB3 LEU B 428 2.362 -8.537 -18.477 1.00 0.00 H new ATOM 0 HG LEU B 428 0.496 -9.192 -19.919 1.00 0.00 H new ATOM 0 HD11 LEU B 428 -0.019 -6.981 -20.861 1.00 0.00 H new ATOM 0 HD12 LEU B 428 0.665 -6.868 -19.222 1.00 0.00 H new ATOM 0 HD13 LEU B 428 1.678 -6.495 -20.637 1.00 0.00 H new ATOM 0 HD21 LEU B 428 0.598 -8.870 -22.353 1.00 0.00 H new ATOM 0 HD22 LEU B 428 2.336 -8.509 -22.228 1.00 0.00 H new ATOM 0 HD23 LEU B 428 1.730 -10.125 -21.795 1.00 0.00 H new ATOM 632 N GLN B 429 4.281 -5.768 -19.857 1.00 0.00 N ATOM 633 CA GLN B 429 4.606 -4.509 -19.210 1.00 0.00 C ATOM 634 C GLN B 429 3.366 -3.924 -18.533 1.00 0.00 C ATOM 635 O GLN B 429 2.263 -4.005 -19.072 1.00 0.00 O ATOM 636 CB GLN B 429 5.204 -3.517 -20.210 1.00 0.00 C ATOM 637 CG GLN B 429 5.945 -2.390 -19.489 1.00 0.00 C ATOM 638 CD GLN B 429 7.019 -1.775 -20.388 1.00 0.00 C ATOM 639 OE1 GLN B 429 6.982 -0.605 -20.732 1.00 0.00 O ATOM 640 NE2 GLN B 429 7.974 -2.627 -20.750 1.00 0.00 N ATOM 0 H GLN B 429 4.139 -5.705 -20.865 1.00 0.00 H new ATOM 0 HA GLN B 429 5.358 -4.700 -18.444 1.00 0.00 H new ATOM 0 HB2 GLN B 429 5.889 -4.038 -20.879 1.00 0.00 H new ATOM 0 HB3 GLN B 429 4.411 -3.098 -20.830 1.00 0.00 H new ATOM 0 HG2 GLN B 429 5.236 -1.620 -19.185 1.00 0.00 H new ATOM 0 HG3 GLN B 429 6.405 -2.776 -18.579 1.00 0.00 H new ATOM 0 HE21 GLN B 429 7.945 -3.594 -20.426 1.00 0.00 H new ATOM 0 HE22 GLN B 429 8.736 -2.314 -21.351 1.00 0.00 H new ATOM 649 N LEU B 430 3.587 -3.347 -17.361 1.00 0.00 N ATOM 650 CA LEU B 430 2.501 -2.748 -16.604 1.00 0.00 C ATOM 651 C LEU B 430 2.873 -1.310 -16.237 1.00 0.00 C ATOM 652 O LEU B 430 4.052 -0.974 -16.149 1.00 0.00 O ATOM 653 CB LEU B 430 2.145 -3.619 -15.397 1.00 0.00 C ATOM 654 CG LEU B 430 1.087 -4.698 -15.638 1.00 0.00 C ATOM 655 CD1 LEU B 430 -0.190 -4.094 -16.225 1.00 0.00 C ATOM 656 CD2 LEU B 430 1.643 -5.825 -16.511 1.00 0.00 C ATOM 0 H LEU B 430 4.503 -3.282 -16.917 1.00 0.00 H new ATOM 0 HA LEU B 430 1.596 -2.698 -17.210 1.00 0.00 H new ATOM 0 HB2 LEU B 430 3.055 -4.103 -15.042 1.00 0.00 H new ATOM 0 HB3 LEU B 430 1.796 -2.969 -14.595 1.00 0.00 H new ATOM 0 HG LEU B 430 0.821 -5.137 -14.676 1.00 0.00 H new ATOM 0 HD11 LEU B 430 -0.925 -4.883 -16.386 1.00 0.00 H new ATOM 0 HD12 LEU B 430 -0.595 -3.356 -15.532 1.00 0.00 H new ATOM 0 HD13 LEU B 430 0.039 -3.612 -17.175 1.00 0.00 H new ATOM 0 HD21 LEU B 430 0.871 -6.579 -16.667 1.00 0.00 H new ATOM 0 HD22 LEU B 430 1.954 -5.420 -17.474 1.00 0.00 H new ATOM 0 HD23 LEU B 430 2.500 -6.281 -16.015 1.00 0.00 H new ATOM 668 N LYS B 431 1.844 -0.500 -16.032 1.00 0.00 N ATOM 669 CA LYS B 431 2.048 0.893 -15.675 1.00 0.00 C ATOM 670 C LYS B 431 1.166 1.242 -14.475 1.00 0.00 C ATOM 671 O LYS B 431 -0.039 0.999 -14.494 1.00 0.00 O ATOM 672 CB LYS B 431 1.820 1.796 -16.889 1.00 0.00 C ATOM 673 CG LYS B 431 1.463 0.971 -18.127 1.00 0.00 C ATOM 674 CD LYS B 431 0.680 1.810 -19.139 1.00 0.00 C ATOM 675 CE LYS B 431 -0.647 2.288 -18.544 1.00 0.00 C ATOM 676 NZ LYS B 431 -1.530 2.817 -19.607 1.00 0.00 N ATOM 0 H LYS B 431 0.867 -0.782 -16.107 1.00 0.00 H new ATOM 0 HA LYS B 431 3.081 1.061 -15.371 1.00 0.00 H new ATOM 0 HB2 LYS B 431 1.018 2.503 -16.675 1.00 0.00 H new ATOM 0 HB3 LYS B 431 2.718 2.382 -17.085 1.00 0.00 H new ATOM 0 HG2 LYS B 431 2.374 0.592 -18.591 1.00 0.00 H new ATOM 0 HG3 LYS B 431 0.871 0.104 -17.832 1.00 0.00 H new ATOM 0 HD2 LYS B 431 1.277 2.670 -19.444 1.00 0.00 H new ATOM 0 HD3 LYS B 431 0.489 1.220 -20.036 1.00 0.00 H new ATOM 0 HE2 LYS B 431 -1.140 1.463 -18.030 1.00 0.00 H new ATOM 0 HE3 LYS B 431 -0.461 3.062 -17.799 1.00 0.00 H new ATOM 0 HZ1 LYS B 431 -2.426 3.137 -19.187 1.00 0.00 H new ATOM 0 HZ2 LYS B 431 -1.064 3.618 -20.079 1.00 0.00 H new ATOM 0 HZ3 LYS B 431 -1.722 2.069 -20.303 1.00 0.00 H new ATOM 690 N ALA B 432 1.802 1.807 -13.458 1.00 0.00 N ATOM 691 CA ALA B 432 1.090 2.192 -12.252 1.00 0.00 C ATOM 692 C ALA B 432 -0.273 2.774 -12.632 1.00 0.00 C ATOM 693 O ALA B 432 -0.377 3.954 -12.964 1.00 0.00 O ATOM 694 CB ALA B 432 1.942 3.178 -11.449 1.00 0.00 C ATOM 0 H ALA B 432 2.802 2.007 -13.445 1.00 0.00 H new ATOM 0 HA ALA B 432 0.912 1.323 -11.618 1.00 0.00 H new ATOM 0 HB1 ALA B 432 1.408 3.467 -10.544 1.00 0.00 H new ATOM 0 HB2 ALA B 432 2.886 2.706 -11.178 1.00 0.00 H new ATOM 0 HB3 ALA B 432 2.139 4.064 -12.053 1.00 0.00 H new ATOM 700 N GLY B 433 -1.283 1.919 -12.572 1.00 0.00 N ATOM 701 CA GLY B 433 -2.635 2.334 -12.905 1.00 0.00 C ATOM 702 C GLY B 433 -3.022 1.865 -14.309 1.00 0.00 C ATOM 703 O GLY B 433 -3.774 2.543 -15.009 1.00 0.00 O ATOM 0 H GLY B 433 -1.192 0.941 -12.298 1.00 0.00 H new ATOM 0 HA2 GLY B 433 -3.335 1.926 -12.176 1.00 0.00 H new ATOM 0 HA3 GLY B 433 -2.711 3.420 -12.847 1.00 0.00 H new ATOM 707 N ASP B 434 -2.492 0.709 -14.680 1.00 0.00 N ATOM 708 CA ASP B 434 -2.771 0.143 -15.988 1.00 0.00 C ATOM 709 C ASP B 434 -3.911 -0.870 -15.868 1.00 0.00 C ATOM 710 O ASP B 434 -4.314 -1.228 -14.762 1.00 0.00 O ATOM 711 CB ASP B 434 -1.547 -0.587 -16.545 1.00 0.00 C ATOM 712 CG ASP B 434 -1.751 -1.242 -17.913 1.00 0.00 C ATOM 713 OD1 ASP B 434 -2.304 -2.363 -17.928 1.00 0.00 O ATOM 714 OD2 ASP B 434 -1.351 -0.607 -18.912 1.00 0.00 O ATOM 0 H ASP B 434 -1.870 0.149 -14.097 1.00 0.00 H new ATOM 0 HA ASP B 434 -3.040 0.960 -16.658 1.00 0.00 H new ATOM 0 HB2 ASP B 434 -0.722 0.122 -16.618 1.00 0.00 H new ATOM 0 HB3 ASP B 434 -1.246 -1.355 -15.833 1.00 0.00 H new ATOM 719 N VAL B 435 -4.399 -1.303 -17.021 1.00 0.00 N ATOM 720 CA VAL B 435 -5.485 -2.268 -17.059 1.00 0.00 C ATOM 721 C VAL B 435 -4.985 -3.568 -17.692 1.00 0.00 C ATOM 722 O VAL B 435 -4.428 -3.554 -18.788 1.00 0.00 O ATOM 723 CB VAL B 435 -6.690 -1.671 -17.790 1.00 0.00 C ATOM 724 CG1 VAL B 435 -7.554 -0.842 -16.838 1.00 0.00 C ATOM 725 CG2 VAL B 435 -6.243 -0.837 -18.992 1.00 0.00 C ATOM 0 H VAL B 435 -4.062 -1.003 -17.936 1.00 0.00 H new ATOM 0 HA VAL B 435 -5.820 -2.506 -16.049 1.00 0.00 H new ATOM 0 HB VAL B 435 -7.299 -2.495 -18.162 1.00 0.00 H new ATOM 0 HG11 VAL B 435 -8.403 -0.429 -17.383 1.00 0.00 H new ATOM 0 HG12 VAL B 435 -7.916 -1.477 -16.029 1.00 0.00 H new ATOM 0 HG13 VAL B 435 -6.960 -0.028 -16.423 1.00 0.00 H new ATOM 0 HG21 VAL B 435 -7.118 -0.424 -19.494 1.00 0.00 H new ATOM 0 HG22 VAL B 435 -5.602 -0.023 -18.652 1.00 0.00 H new ATOM 0 HG23 VAL B 435 -5.690 -1.468 -19.687 1.00 0.00 H new ATOM 735 N VAL B 436 -5.203 -4.660 -16.974 1.00 0.00 N ATOM 736 CA VAL B 436 -4.782 -5.966 -17.453 1.00 0.00 C ATOM 737 C VAL B 436 -5.909 -6.975 -17.225 1.00 0.00 C ATOM 738 O VAL B 436 -6.621 -6.901 -16.224 1.00 0.00 O ATOM 739 CB VAL B 436 -3.470 -6.373 -16.778 1.00 0.00 C ATOM 740 CG1 VAL B 436 -3.302 -7.893 -16.779 1.00 0.00 C ATOM 741 CG2 VAL B 436 -2.276 -5.689 -17.446 1.00 0.00 C ATOM 0 H VAL B 436 -5.665 -4.667 -16.065 1.00 0.00 H new ATOM 0 HA VAL B 436 -4.585 -5.935 -18.525 1.00 0.00 H new ATOM 0 HB VAL B 436 -3.509 -6.041 -15.740 1.00 0.00 H new ATOM 0 HG11 VAL B 436 -2.362 -8.155 -16.294 1.00 0.00 H new ATOM 0 HG12 VAL B 436 -4.130 -8.351 -16.238 1.00 0.00 H new ATOM 0 HG13 VAL B 436 -3.294 -8.258 -17.806 1.00 0.00 H new ATOM 0 HG21 VAL B 436 -1.356 -5.995 -16.948 1.00 0.00 H new ATOM 0 HG22 VAL B 436 -2.233 -5.977 -18.496 1.00 0.00 H new ATOM 0 HG23 VAL B 436 -2.387 -4.607 -17.370 1.00 0.00 H new ATOM 751 N LEU B 437 -6.037 -7.895 -18.170 1.00 0.00 N ATOM 752 CA LEU B 437 -7.066 -8.917 -18.085 1.00 0.00 C ATOM 753 C LEU B 437 -6.431 -10.240 -17.652 1.00 0.00 C ATOM 754 O LEU B 437 -5.425 -10.665 -18.219 1.00 0.00 O ATOM 755 CB LEU B 437 -7.840 -9.009 -19.402 1.00 0.00 C ATOM 756 CG LEU B 437 -7.517 -7.937 -20.445 1.00 0.00 C ATOM 757 CD1 LEU B 437 -8.280 -8.192 -21.747 1.00 0.00 C ATOM 758 CD2 LEU B 437 -7.781 -6.536 -19.892 1.00 0.00 C ATOM 0 H LEU B 437 -5.445 -7.954 -18.998 1.00 0.00 H new ATOM 0 HA LEU B 437 -7.803 -8.653 -17.326 1.00 0.00 H new ATOM 0 HB2 LEU B 437 -7.651 -9.987 -19.844 1.00 0.00 H new ATOM 0 HB3 LEU B 437 -8.906 -8.961 -19.178 1.00 0.00 H new ATOM 0 HG LEU B 437 -6.454 -7.996 -20.677 1.00 0.00 H new ATOM 0 HD11 LEU B 437 -8.033 -7.416 -22.472 1.00 0.00 H new ATOM 0 HD12 LEU B 437 -8.000 -9.166 -22.148 1.00 0.00 H new ATOM 0 HD13 LEU B 437 -9.352 -8.176 -21.550 1.00 0.00 H new ATOM 0 HD21 LEU B 437 -7.543 -5.793 -20.654 1.00 0.00 H new ATOM 0 HD22 LEU B 437 -8.831 -6.447 -19.613 1.00 0.00 H new ATOM 0 HD23 LEU B 437 -7.157 -6.368 -19.014 1.00 0.00 H new ATOM 770 N VAL B 438 -7.044 -10.854 -16.651 1.00 0.00 N ATOM 771 CA VAL B 438 -6.551 -12.120 -16.136 1.00 0.00 C ATOM 772 C VAL B 438 -7.124 -13.265 -16.973 1.00 0.00 C ATOM 773 O VAL B 438 -8.320 -13.548 -16.908 1.00 0.00 O ATOM 774 CB VAL B 438 -6.882 -12.244 -14.647 1.00 0.00 C ATOM 775 CG1 VAL B 438 -6.933 -13.712 -14.217 1.00 0.00 C ATOM 776 CG2 VAL B 438 -5.883 -11.458 -13.796 1.00 0.00 C ATOM 0 H VAL B 438 -7.878 -10.498 -16.183 1.00 0.00 H new ATOM 0 HA VAL B 438 -5.465 -12.169 -16.219 1.00 0.00 H new ATOM 0 HB VAL B 438 -7.870 -11.813 -14.487 1.00 0.00 H new ATOM 0 HG11 VAL B 438 -7.170 -13.772 -13.155 1.00 0.00 H new ATOM 0 HG12 VAL B 438 -7.700 -14.233 -14.790 1.00 0.00 H new ATOM 0 HG13 VAL B 438 -5.965 -14.178 -14.400 1.00 0.00 H new ATOM 0 HG21 VAL B 438 -6.141 -11.563 -12.742 1.00 0.00 H new ATOM 0 HG22 VAL B 438 -4.878 -11.845 -13.964 1.00 0.00 H new ATOM 0 HG23 VAL B 438 -5.917 -10.405 -14.075 1.00 0.00 H new ATOM 786 N ILE B 439 -6.246 -13.892 -17.741 1.00 0.00 N ATOM 787 CA ILE B 439 -6.650 -15.000 -18.590 1.00 0.00 C ATOM 788 C ILE B 439 -5.943 -16.276 -18.127 1.00 0.00 C ATOM 789 O ILE B 439 -4.860 -16.215 -17.547 1.00 0.00 O ATOM 790 CB ILE B 439 -6.408 -14.663 -20.062 1.00 0.00 C ATOM 791 CG1 ILE B 439 -4.910 -14.583 -20.368 1.00 0.00 C ATOM 792 CG2 ILE B 439 -7.142 -13.380 -20.459 1.00 0.00 C ATOM 793 CD1 ILE B 439 -4.434 -13.130 -20.401 1.00 0.00 C ATOM 0 H ILE B 439 -5.256 -13.654 -17.793 1.00 0.00 H new ATOM 0 HA ILE B 439 -7.722 -15.178 -18.500 1.00 0.00 H new ATOM 0 HB ILE B 439 -6.818 -15.470 -20.668 1.00 0.00 H new ATOM 0 HG12 ILE B 439 -4.351 -15.135 -19.613 1.00 0.00 H new ATOM 0 HG13 ILE B 439 -4.705 -15.058 -21.327 1.00 0.00 H new ATOM 0 HG21 ILE B 439 -6.953 -13.163 -21.510 1.00 0.00 H new ATOM 0 HG22 ILE B 439 -8.213 -13.510 -20.302 1.00 0.00 H new ATOM 0 HG23 ILE B 439 -6.784 -12.552 -19.848 1.00 0.00 H new ATOM 0 HD11 ILE B 439 -3.367 -13.102 -20.620 1.00 0.00 H new ATOM 0 HD12 ILE B 439 -4.978 -12.586 -21.174 1.00 0.00 H new ATOM 0 HD13 ILE B 439 -4.618 -12.665 -19.433 1.00 0.00 H new ATOM 805 N PRO B 440 -6.602 -17.432 -18.409 1.00 0.00 N ATOM 806 CA PRO B 440 -6.049 -18.720 -18.028 1.00 0.00 C ATOM 807 C PRO B 440 -4.892 -19.114 -18.949 1.00 0.00 C ATOM 808 O PRO B 440 -5.087 -19.303 -20.149 1.00 0.00 O ATOM 809 CB PRO B 440 -7.219 -19.687 -18.097 1.00 0.00 C ATOM 810 CG PRO B 440 -8.272 -19.007 -18.957 1.00 0.00 C ATOM 811 CD PRO B 440 -7.886 -17.543 -19.094 1.00 0.00 C ATOM 0 HA PRO B 440 -5.615 -18.712 -17.028 1.00 0.00 H new ATOM 0 HB2 PRO B 440 -6.914 -20.639 -18.533 1.00 0.00 H new ATOM 0 HB3 PRO B 440 -7.607 -19.902 -17.101 1.00 0.00 H new ATOM 0 HG2 PRO B 440 -8.329 -19.480 -19.937 1.00 0.00 H new ATOM 0 HG3 PRO B 440 -9.257 -19.101 -18.500 1.00 0.00 H new ATOM 0 HD2 PRO B 440 -7.803 -17.252 -20.141 1.00 0.00 H new ATOM 0 HD3 PRO B 440 -8.634 -16.892 -18.641 1.00 0.00 H new ATOM 819 N PHE B 441 -3.715 -19.228 -18.353 1.00 0.00 N ATOM 820 CA PHE B 441 -2.527 -19.595 -19.105 1.00 0.00 C ATOM 821 C PHE B 441 -2.716 -20.943 -19.804 1.00 0.00 C ATOM 822 O PHE B 441 -3.815 -21.496 -19.807 1.00 0.00 O ATOM 823 CB PHE B 441 -1.380 -19.712 -18.100 1.00 0.00 C ATOM 824 CG PHE B 441 -1.793 -20.298 -16.748 1.00 0.00 C ATOM 825 CD1 PHE B 441 -2.809 -21.200 -16.681 1.00 0.00 C ATOM 826 CD2 PHE B 441 -1.144 -19.918 -15.615 1.00 0.00 C ATOM 827 CE1 PHE B 441 -3.193 -21.744 -15.426 1.00 0.00 C ATOM 828 CE2 PHE B 441 -1.528 -20.463 -14.361 1.00 0.00 C ATOM 829 CZ PHE B 441 -2.544 -21.364 -14.293 1.00 0.00 C ATOM 0 H PHE B 441 -3.558 -19.073 -17.357 1.00 0.00 H new ATOM 0 HA PHE B 441 -2.324 -18.845 -19.869 1.00 0.00 H new ATOM 0 HB2 PHE B 441 -0.596 -20.335 -18.530 1.00 0.00 H new ATOM 0 HB3 PHE B 441 -0.949 -18.724 -17.939 1.00 0.00 H new ATOM 0 HD1 PHE B 441 -3.323 -21.502 -17.581 1.00 0.00 H new ATOM 0 HD2 PHE B 441 -0.337 -19.202 -15.669 1.00 0.00 H new ATOM 0 HE1 PHE B 441 -4.000 -22.459 -15.372 1.00 0.00 H new ATOM 0 HE2 PHE B 441 -1.013 -20.162 -13.461 1.00 0.00 H new ATOM 0 HZ PHE B 441 -2.836 -21.778 -13.339 1.00 0.00 H new ATOM 931 N ASP B 448 4.333 -18.370 -13.121 1.00 0.00 N ATOM 932 CA ASP B 448 5.443 -17.998 -12.260 1.00 0.00 C ATOM 933 C ASP B 448 4.907 -17.629 -10.875 1.00 0.00 C ATOM 934 O ASP B 448 3.783 -17.145 -10.749 1.00 0.00 O ATOM 935 CB ASP B 448 6.188 -16.783 -12.817 1.00 0.00 C ATOM 936 CG ASP B 448 7.198 -16.148 -11.858 1.00 0.00 C ATOM 937 OD1 ASP B 448 7.959 -16.924 -11.241 1.00 0.00 O ATOM 938 OD2 ASP B 448 7.184 -14.902 -11.764 1.00 0.00 O ATOM 0 HA ASP B 448 6.126 -18.846 -12.204 1.00 0.00 H new ATOM 0 HB2 ASP B 448 6.711 -17.081 -13.726 1.00 0.00 H new ATOM 0 HB3 ASP B 448 5.457 -16.027 -13.103 1.00 0.00 H new ATOM 943 N GLU B 449 5.736 -17.872 -9.871 1.00 0.00 N ATOM 944 CA GLU B 449 5.360 -17.571 -8.500 1.00 0.00 C ATOM 945 C GLU B 449 5.331 -16.058 -8.277 1.00 0.00 C ATOM 946 O GLU B 449 6.368 -15.399 -8.335 1.00 0.00 O ATOM 947 CB GLU B 449 6.305 -18.254 -7.509 1.00 0.00 C ATOM 948 CG GLU B 449 5.673 -19.523 -6.933 1.00 0.00 C ATOM 949 CD GLU B 449 6.524 -20.091 -5.796 1.00 0.00 C ATOM 950 OE1 GLU B 449 7.498 -20.805 -6.118 1.00 0.00 O ATOM 951 OE2 GLU B 449 6.180 -19.799 -4.630 1.00 0.00 O ATOM 0 H GLU B 449 6.667 -18.274 -9.979 1.00 0.00 H new ATOM 0 HA GLU B 449 4.358 -17.963 -8.325 1.00 0.00 H new ATOM 0 HB2 GLU B 449 7.241 -18.504 -8.008 1.00 0.00 H new ATOM 0 HB3 GLU B 449 6.549 -17.565 -6.700 1.00 0.00 H new ATOM 0 HG2 GLU B 449 4.671 -19.300 -6.566 1.00 0.00 H new ATOM 0 HG3 GLU B 449 5.566 -20.270 -7.720 1.00 0.00 H new ATOM 958 N GLY B 450 4.133 -15.551 -8.027 1.00 0.00 N ATOM 959 CA GLY B 450 3.956 -14.128 -7.794 1.00 0.00 C ATOM 960 C GLY B 450 3.524 -13.412 -9.076 1.00 0.00 C ATOM 961 O GLY B 450 3.256 -12.212 -9.061 1.00 0.00 O ATOM 0 H GLY B 450 3.275 -16.101 -7.981 1.00 0.00 H new ATOM 0 HA2 GLY B 450 3.207 -13.973 -7.017 1.00 0.00 H new ATOM 0 HA3 GLY B 450 4.888 -13.697 -7.429 1.00 0.00 H new ATOM 965 N TRP B 451 3.471 -14.180 -10.155 1.00 0.00 N ATOM 966 CA TRP B 451 3.077 -13.634 -11.442 1.00 0.00 C ATOM 967 C TRP B 451 2.104 -14.619 -12.095 1.00 0.00 C ATOM 968 O TRP B 451 2.071 -15.795 -11.736 1.00 0.00 O ATOM 969 CB TRP B 451 4.301 -13.339 -12.311 1.00 0.00 C ATOM 970 CG TRP B 451 5.466 -12.705 -11.549 1.00 0.00 C ATOM 971 CD1 TRP B 451 6.019 -13.113 -10.398 1.00 0.00 C ATOM 972 CD2 TRP B 451 6.205 -11.526 -11.933 1.00 0.00 C ATOM 973 NE1 TRP B 451 7.055 -12.286 -10.014 1.00 0.00 N ATOM 974 CE2 TRP B 451 7.172 -11.291 -10.977 1.00 0.00 C ATOM 975 CE3 TRP B 451 6.061 -10.686 -13.051 1.00 0.00 C ATOM 976 CZ2 TRP B 451 8.069 -10.218 -11.042 1.00 0.00 C ATOM 977 CZ3 TRP B 451 6.965 -9.619 -13.101 1.00 0.00 C ATOM 978 CH2 TRP B 451 7.944 -9.368 -12.147 1.00 0.00 C ATOM 0 H TRP B 451 3.694 -15.175 -10.164 1.00 0.00 H new ATOM 0 HA TRP B 451 2.572 -12.676 -11.316 1.00 0.00 H new ATOM 0 HB2 TRP B 451 4.642 -14.268 -12.768 1.00 0.00 H new ATOM 0 HB3 TRP B 451 4.006 -12.674 -13.123 1.00 0.00 H new ATOM 0 HD1 TRP B 451 5.695 -13.980 -9.841 1.00 0.00 H new ATOM 0 HE1 TRP B 451 7.629 -12.387 -9.177 1.00 0.00 H new ATOM 0 HE3 TRP B 451 5.312 -10.851 -13.811 1.00 0.00 H new ATOM 0 HZ2 TRP B 451 8.817 -10.055 -10.280 1.00 0.00 H new ATOM 0 HZ3 TRP B 451 6.897 -8.943 -13.940 1.00 0.00 H new ATOM 0 HH2 TRP B 451 8.605 -8.521 -12.258 1.00 0.00 H new ATOM 989 N LEU B 452 1.335 -14.102 -13.042 1.00 0.00 N ATOM 990 CA LEU B 452 0.365 -14.921 -13.749 1.00 0.00 C ATOM 991 C LEU B 452 0.271 -14.452 -15.202 1.00 0.00 C ATOM 992 O LEU B 452 0.847 -13.428 -15.567 1.00 0.00 O ATOM 993 CB LEU B 452 -0.976 -14.917 -13.013 1.00 0.00 C ATOM 994 CG LEU B 452 -1.171 -13.806 -11.980 1.00 0.00 C ATOM 995 CD1 LEU B 452 -2.657 -13.516 -11.760 1.00 0.00 C ATOM 996 CD2 LEU B 452 -0.453 -14.142 -10.671 1.00 0.00 C ATOM 0 H LEU B 452 1.364 -13.126 -13.336 1.00 0.00 H new ATOM 0 HA LEU B 452 0.688 -15.962 -13.770 1.00 0.00 H new ATOM 0 HB2 LEU B 452 -1.773 -14.842 -13.752 1.00 0.00 H new ATOM 0 HB3 LEU B 452 -1.095 -15.877 -12.511 1.00 0.00 H new ATOM 0 HG LEU B 452 -0.719 -12.894 -12.370 1.00 0.00 H new ATOM 0 HD11 LEU B 452 -2.767 -12.722 -11.021 1.00 0.00 H new ATOM 0 HD12 LEU B 452 -3.109 -13.202 -12.700 1.00 0.00 H new ATOM 0 HD13 LEU B 452 -3.154 -14.417 -11.401 1.00 0.00 H new ATOM 0 HD21 LEU B 452 -0.608 -13.336 -9.954 1.00 0.00 H new ATOM 0 HD22 LEU B 452 -0.853 -15.071 -10.265 1.00 0.00 H new ATOM 0 HD23 LEU B 452 0.614 -14.259 -10.861 1.00 0.00 H new ATOM 1008 N MET B 453 -0.458 -15.225 -15.994 1.00 0.00 N ATOM 1009 CA MET B 453 -0.636 -14.902 -17.399 1.00 0.00 C ATOM 1010 C MET B 453 -1.827 -13.963 -17.600 1.00 0.00 C ATOM 1011 O MET B 453 -2.972 -14.349 -17.366 1.00 0.00 O ATOM 1012 CB MET B 453 -0.860 -16.189 -18.195 1.00 0.00 C ATOM 1013 CG MET B 453 -1.337 -15.880 -19.615 1.00 0.00 C ATOM 1014 SD MET B 453 -0.258 -16.659 -20.805 1.00 0.00 S ATOM 1015 CE MET B 453 1.279 -15.840 -20.413 1.00 0.00 C ATOM 0 H MET B 453 -0.932 -16.075 -15.689 1.00 0.00 H new ATOM 0 HA MET B 453 0.263 -14.398 -17.753 1.00 0.00 H new ATOM 0 HB2 MET B 453 0.067 -16.762 -18.235 1.00 0.00 H new ATOM 0 HB3 MET B 453 -1.597 -16.811 -17.687 1.00 0.00 H new ATOM 0 HG2 MET B 453 -2.358 -16.236 -19.750 1.00 0.00 H new ATOM 0 HG3 MET B 453 -1.352 -14.802 -19.776 1.00 0.00 H new ATOM 0 HE1 MET B 453 2.110 -16.526 -20.579 1.00 0.00 H new ATOM 0 HE2 MET B 453 1.398 -14.965 -21.052 1.00 0.00 H new ATOM 0 HE3 MET B 453 1.269 -15.528 -19.369 1.00 0.00 H new ATOM 1025 N GLY B 454 -1.518 -12.749 -18.030 1.00 0.00 N ATOM 1026 CA GLY B 454 -2.549 -11.752 -18.265 1.00 0.00 C ATOM 1027 C GLY B 454 -2.258 -10.951 -19.535 1.00 0.00 C ATOM 1028 O GLY B 454 -1.225 -11.146 -20.174 1.00 0.00 O ATOM 0 H GLY B 454 -0.568 -12.433 -18.222 1.00 0.00 H new ATOM 0 HA2 GLY B 454 -3.519 -12.241 -18.354 1.00 0.00 H new ATOM 0 HA3 GLY B 454 -2.609 -11.077 -17.411 1.00 0.00 H new ATOM 1032 N VAL B 455 -3.188 -10.067 -19.864 1.00 0.00 N ATOM 1033 CA VAL B 455 -3.044 -9.234 -21.046 1.00 0.00 C ATOM 1034 C VAL B 455 -3.492 -7.808 -20.718 1.00 0.00 C ATOM 1035 O VAL B 455 -4.423 -7.610 -19.939 1.00 0.00 O ATOM 1036 CB VAL B 455 -3.815 -9.848 -22.216 1.00 0.00 C ATOM 1037 CG1 VAL B 455 -5.313 -9.912 -21.912 1.00 0.00 C ATOM 1038 CG2 VAL B 455 -3.551 -9.077 -23.511 1.00 0.00 C ATOM 0 H VAL B 455 -4.044 -9.909 -19.333 1.00 0.00 H new ATOM 0 HA VAL B 455 -1.999 -9.184 -21.353 1.00 0.00 H new ATOM 0 HB VAL B 455 -3.457 -10.868 -22.354 1.00 0.00 H new ATOM 0 HG11 VAL B 455 -5.838 -10.352 -22.760 1.00 0.00 H new ATOM 0 HG12 VAL B 455 -5.478 -10.524 -21.025 1.00 0.00 H new ATOM 0 HG13 VAL B 455 -5.691 -8.905 -21.734 1.00 0.00 H new ATOM 0 HG21 VAL B 455 -4.111 -9.534 -24.327 1.00 0.00 H new ATOM 0 HG22 VAL B 455 -3.868 -8.041 -23.389 1.00 0.00 H new ATOM 0 HG23 VAL B 455 -2.486 -9.106 -23.741 1.00 0.00 H new ATOM 1048 N LYS B 456 -2.807 -6.852 -21.327 1.00 0.00 N ATOM 1049 CA LYS B 456 -3.122 -5.450 -21.109 1.00 0.00 C ATOM 1050 C LYS B 456 -4.351 -5.073 -21.939 1.00 0.00 C ATOM 1051 O LYS B 456 -4.694 -5.765 -22.896 1.00 0.00 O ATOM 1052 CB LYS B 456 -1.898 -4.576 -21.391 1.00 0.00 C ATOM 1053 CG LYS B 456 -1.138 -4.264 -20.100 1.00 0.00 C ATOM 1054 CD LYS B 456 -0.285 -3.004 -20.256 1.00 0.00 C ATOM 1055 CE LYS B 456 0.706 -3.153 -21.413 1.00 0.00 C ATOM 1056 NZ LYS B 456 0.547 -2.041 -22.377 1.00 0.00 N ATOM 0 H LYS B 456 -2.035 -7.020 -21.972 1.00 0.00 H new ATOM 0 HA LYS B 456 -3.376 -5.275 -20.064 1.00 0.00 H new ATOM 0 HB2 LYS B 456 -1.237 -5.085 -22.092 1.00 0.00 H new ATOM 0 HB3 LYS B 456 -2.212 -3.647 -21.866 1.00 0.00 H new ATOM 0 HG2 LYS B 456 -1.845 -4.130 -19.281 1.00 0.00 H new ATOM 0 HG3 LYS B 456 -0.501 -5.108 -19.836 1.00 0.00 H new ATOM 0 HD2 LYS B 456 -0.930 -2.143 -20.433 1.00 0.00 H new ATOM 0 HD3 LYS B 456 0.257 -2.811 -19.330 1.00 0.00 H new ATOM 0 HE2 LYS B 456 1.725 -3.165 -21.027 1.00 0.00 H new ATOM 0 HE3 LYS B 456 0.545 -4.106 -21.918 1.00 0.00 H new ATOM 0 HZ1 LYS B 456 1.226 -2.157 -23.156 1.00 0.00 H new ATOM 0 HZ2 LYS B 456 -0.421 -2.047 -22.758 1.00 0.00 H new ATOM 0 HZ3 LYS B 456 0.723 -1.136 -21.895 1.00 0.00 H new ATOM 1070 N GLU B 457 -4.980 -3.977 -21.541 1.00 0.00 N ATOM 1071 CA GLU B 457 -6.164 -3.500 -22.236 1.00 0.00 C ATOM 1072 C GLU B 457 -5.842 -3.224 -23.706 1.00 0.00 C ATOM 1073 O GLU B 457 -6.618 -3.578 -24.593 1.00 0.00 O ATOM 1074 CB GLU B 457 -6.734 -2.254 -21.556 1.00 0.00 C ATOM 1075 CG GLU B 457 -7.885 -1.662 -22.372 1.00 0.00 C ATOM 1076 CD GLU B 457 -9.021 -1.195 -21.459 1.00 0.00 C ATOM 1077 OE1 GLU B 457 -8.843 -0.128 -20.833 1.00 0.00 O ATOM 1078 OE2 GLU B 457 -10.040 -1.917 -21.408 1.00 0.00 O ATOM 0 H GLU B 457 -4.692 -3.406 -20.746 1.00 0.00 H new ATOM 0 HA GLU B 457 -6.926 -4.278 -22.192 1.00 0.00 H new ATOM 0 HB2 GLU B 457 -7.086 -2.510 -20.557 1.00 0.00 H new ATOM 0 HB3 GLU B 457 -5.948 -1.509 -21.436 1.00 0.00 H new ATOM 0 HG2 GLU B 457 -7.521 -0.822 -22.964 1.00 0.00 H new ATOM 0 HG3 GLU B 457 -8.260 -2.408 -23.073 1.00 0.00 H new ATOM 1085 N SER B 458 -4.695 -2.595 -23.920 1.00 0.00 N ATOM 1086 CA SER B 458 -4.260 -2.268 -25.267 1.00 0.00 C ATOM 1087 C SER B 458 -4.086 -3.549 -26.086 1.00 0.00 C ATOM 1088 O SER B 458 -4.383 -3.571 -27.280 1.00 0.00 O ATOM 1089 CB SER B 458 -2.955 -1.470 -25.246 1.00 0.00 C ATOM 1090 OG SER B 458 -3.008 -0.338 -26.109 1.00 0.00 O ATOM 0 H SER B 458 -4.054 -2.303 -23.182 1.00 0.00 H new ATOM 0 HA SER B 458 -5.026 -1.648 -25.733 1.00 0.00 H new ATOM 0 HB2 SER B 458 -2.748 -1.140 -24.228 1.00 0.00 H new ATOM 0 HB3 SER B 458 -2.130 -2.116 -25.546 1.00 0.00 H new ATOM 0 HG SER B 458 -2.157 0.146 -26.066 1.00 0.00 H new ATOM 1096 N ASP B 459 -3.606 -4.583 -25.412 1.00 0.00 N ATOM 1097 CA ASP B 459 -3.390 -5.865 -26.063 1.00 0.00 C ATOM 1098 C ASP B 459 -4.737 -6.448 -26.492 1.00 0.00 C ATOM 1099 O ASP B 459 -4.827 -7.125 -27.515 1.00 0.00 O ATOM 1100 CB ASP B 459 -2.725 -6.861 -25.110 1.00 0.00 C ATOM 1101 CG ASP B 459 -1.215 -6.684 -24.940 1.00 0.00 C ATOM 1102 OD1 ASP B 459 -0.683 -5.732 -25.550 1.00 0.00 O ATOM 1103 OD2 ASP B 459 -0.627 -7.506 -24.204 1.00 0.00 O ATOM 0 H ASP B 459 -3.360 -4.560 -24.422 1.00 0.00 H new ATOM 0 HA ASP B 459 -2.742 -5.701 -26.924 1.00 0.00 H new ATOM 0 HB2 ASP B 459 -3.198 -6.776 -24.132 1.00 0.00 H new ATOM 0 HB3 ASP B 459 -2.919 -7.871 -25.471 1.00 0.00 H new ATOM 1108 N TRP B 460 -5.752 -6.164 -25.689 1.00 0.00 N ATOM 1109 CA TRP B 460 -7.091 -6.652 -25.973 1.00 0.00 C ATOM 1110 C TRP B 460 -7.443 -6.258 -27.409 1.00 0.00 C ATOM 1111 O TRP B 460 -7.924 -7.084 -28.183 1.00 0.00 O ATOM 1112 CB TRP B 460 -8.095 -6.127 -24.946 1.00 0.00 C ATOM 1113 CG TRP B 460 -9.433 -6.869 -24.948 1.00 0.00 C ATOM 1114 CD1 TRP B 460 -9.986 -7.571 -25.948 1.00 0.00 C ATOM 1115 CD2 TRP B 460 -10.371 -6.955 -23.855 1.00 0.00 C ATOM 1116 NE1 TRP B 460 -11.206 -8.100 -25.580 1.00 0.00 N ATOM 1117 CE2 TRP B 460 -11.448 -7.714 -24.267 1.00 0.00 C ATOM 1118 CE3 TRP B 460 -10.312 -6.409 -22.560 1.00 0.00 C ATOM 1119 CZ2 TRP B 460 -12.546 -7.996 -23.445 1.00 0.00 C ATOM 1120 CZ3 TRP B 460 -11.417 -6.701 -21.752 1.00 0.00 C ATOM 1121 CH2 TRP B 460 -12.508 -7.463 -22.151 1.00 0.00 C ATOM 0 H TRP B 460 -5.674 -5.602 -24.841 1.00 0.00 H new ATOM 0 HA TRP B 460 -7.131 -7.738 -25.890 1.00 0.00 H new ATOM 0 HB2 TRP B 460 -7.653 -6.198 -23.952 1.00 0.00 H new ATOM 0 HB3 TRP B 460 -8.277 -5.070 -25.139 1.00 0.00 H new ATOM 0 HD1 TRP B 460 -9.533 -7.705 -26.919 1.00 0.00 H new ATOM 0 HE1 TRP B 460 -11.818 -8.670 -26.164 1.00 0.00 H new ATOM 0 HE3 TRP B 460 -9.480 -5.812 -22.216 1.00 0.00 H new ATOM 0 HZ2 TRP B 460 -13.377 -8.593 -23.791 1.00 0.00 H new ATOM 0 HZ3 TRP B 460 -11.422 -6.306 -20.747 1.00 0.00 H new ATOM 0 HH2 TRP B 460 -13.323 -7.643 -21.466 1.00 0.00 H new ATOM 1132 N ASN B 461 -7.190 -4.996 -27.721 1.00 0.00 N ATOM 1133 CA ASN B 461 -7.474 -4.482 -29.050 1.00 0.00 C ATOM 1134 C ASN B 461 -6.737 -5.330 -30.089 1.00 0.00 C ATOM 1135 O ASN B 461 -7.165 -5.421 -31.238 1.00 0.00 O ATOM 1136 CB ASN B 461 -6.996 -3.036 -29.196 1.00 0.00 C ATOM 1137 CG ASN B 461 -7.772 -2.105 -28.262 1.00 0.00 C ATOM 1138 OD1 ASN B 461 -7.234 -1.981 -27.052 1.00 0.00 O flip ATOM 1139 ND2 ASN B 461 -8.792 -1.537 -28.616 1.00 0.00 N flip ATOM 0 H ASN B 461 -6.791 -4.314 -27.076 1.00 0.00 H new ATOM 0 HA ASN B 461 -8.552 -4.523 -29.203 1.00 0.00 H new ATOM 0 HB2 ASN B 461 -5.931 -2.977 -28.972 1.00 0.00 H new ATOM 0 HB3 ASN B 461 -7.123 -2.710 -30.228 1.00 0.00 H new ATOM 0 HD21 ASN B 461 -9.152 -1.676 -29.560 1.00 0.00 H new ATOM 0 HD22 ASN B 461 -9.285 -0.923 -27.968 1.00 0.00 H new ATOM 1146 N GLN B 462 -5.642 -5.930 -29.646 1.00 0.00 N ATOM 1147 CA GLN B 462 -4.841 -6.767 -30.523 1.00 0.00 C ATOM 1148 C GLN B 462 -5.255 -8.233 -30.381 1.00 0.00 C ATOM 1149 O GLN B 462 -4.513 -9.132 -30.775 1.00 0.00 O ATOM 1150 CB GLN B 462 -3.348 -6.589 -30.239 1.00 0.00 C ATOM 1151 CG GLN B 462 -2.780 -5.401 -31.018 1.00 0.00 C ATOM 1152 CD GLN B 462 -3.003 -4.091 -30.260 1.00 0.00 C ATOM 1153 OE1 GLN B 462 -4.126 -3.460 -30.590 1.00 0.00 O flip ATOM 1154 NE2 GLN B 462 -2.208 -3.680 -29.430 1.00 0.00 N flip ATOM 0 H GLN B 462 -5.291 -5.853 -28.691 1.00 0.00 H new ATOM 0 HA GLN B 462 -5.021 -6.457 -31.552 1.00 0.00 H new ATOM 0 HB2 GLN B 462 -3.193 -6.436 -29.171 1.00 0.00 H new ATOM 0 HB3 GLN B 462 -2.811 -7.498 -30.512 1.00 0.00 H new ATOM 0 HG2 GLN B 462 -1.714 -5.550 -31.188 1.00 0.00 H new ATOM 0 HG3 GLN B 462 -3.254 -5.344 -31.998 1.00 0.00 H new ATOM 0 HE21 GLN B 462 -1.364 -4.214 -29.224 1.00 0.00 H new ATOM 0 HE22 GLN B 462 -2.388 -2.802 -28.943 1.00 0.00 H new ATOM 1163 N HIS B 463 -6.438 -8.429 -29.818 1.00 0.00 N ATOM 1164 CA HIS B 463 -6.959 -9.771 -29.618 1.00 0.00 C ATOM 1165 C HIS B 463 -6.755 -10.595 -30.891 1.00 0.00 C ATOM 1166 O HIS B 463 -6.699 -11.823 -30.837 1.00 0.00 O ATOM 1167 CB HIS B 463 -8.421 -9.725 -29.170 1.00 0.00 C ATOM 1168 CG HIS B 463 -9.229 -10.931 -29.585 1.00 0.00 C ATOM 1169 ND1 HIS B 463 -9.446 -11.478 -30.816 1.00 0.00 N flip ATOM 1170 CD2 HIS B 463 -9.924 -11.715 -28.681 1.00 0.00 C flip ATOM 1171 CE1 HIS B 463 -10.230 -12.539 -30.671 1.00 0.00 C flip ATOM 1172 NE2 HIS B 463 -10.527 -12.688 -29.348 1.00 0.00 N flip ATOM 0 H HIS B 463 -7.051 -7.681 -29.494 1.00 0.00 H new ATOM 0 HA HIS B 463 -6.409 -10.263 -28.816 1.00 0.00 H new ATOM 0 HB2 HIS B 463 -8.455 -9.634 -28.084 1.00 0.00 H new ATOM 0 HB3 HIS B 463 -8.888 -8.829 -29.580 1.00 0.00 H new ATOM 0 HD2 HIS B 463 -9.967 -11.560 -27.613 1.00 0.00 H new ATOM 0 HE1 HIS B 463 -10.576 -13.179 -31.469 1.00 0.00 H new ATOM 0 HE2 HIS B 463 -11.111 -13.420 -28.943 1.00 0.00 H new ATOM 1180 N LYS B 464 -6.648 -9.887 -32.006 1.00 0.00 N ATOM 1181 CA LYS B 464 -6.451 -10.538 -33.290 1.00 0.00 C ATOM 1182 C LYS B 464 -5.176 -11.381 -33.239 1.00 0.00 C ATOM 1183 O LYS B 464 -5.079 -12.408 -33.909 1.00 0.00 O ATOM 1184 CB LYS B 464 -6.462 -9.507 -34.420 1.00 0.00 C ATOM 1185 CG LYS B 464 -7.858 -8.909 -34.604 1.00 0.00 C ATOM 1186 CD LYS B 464 -7.774 -7.450 -35.058 1.00 0.00 C ATOM 1187 CE LYS B 464 -7.224 -7.349 -36.482 1.00 0.00 C ATOM 1188 NZ LYS B 464 -7.829 -6.200 -37.191 1.00 0.00 N ATOM 0 H LYS B 464 -6.694 -8.869 -32.047 1.00 0.00 H new ATOM 0 HA LYS B 464 -7.275 -11.219 -33.503 1.00 0.00 H new ATOM 0 HB2 LYS B 464 -5.749 -8.713 -34.199 1.00 0.00 H new ATOM 0 HB3 LYS B 464 -6.139 -9.977 -35.349 1.00 0.00 H new ATOM 0 HG2 LYS B 464 -8.413 -9.491 -35.340 1.00 0.00 H new ATOM 0 HG3 LYS B 464 -8.410 -8.971 -33.666 1.00 0.00 H new ATOM 0 HD2 LYS B 464 -8.763 -6.994 -35.013 1.00 0.00 H new ATOM 0 HD3 LYS B 464 -7.134 -6.890 -34.377 1.00 0.00 H new ATOM 0 HE2 LYS B 464 -6.140 -7.236 -36.452 1.00 0.00 H new ATOM 0 HE3 LYS B 464 -7.434 -8.270 -37.025 1.00 0.00 H new ATOM 0 HZ1 LYS B 464 -7.445 -6.146 -38.156 1.00 0.00 H new ATOM 0 HZ2 LYS B 464 -8.861 -6.324 -37.236 1.00 0.00 H new ATOM 0 HZ3 LYS B 464 -7.607 -5.321 -36.681 1.00 0.00 H new ATOM 1202 N LYS B 465 -4.229 -10.917 -32.436 1.00 0.00 N ATOM 1203 CA LYS B 465 -2.964 -11.616 -32.289 1.00 0.00 C ATOM 1204 C LYS B 465 -2.589 -11.676 -30.807 1.00 0.00 C ATOM 1205 O LYS B 465 -1.458 -11.364 -30.436 1.00 0.00 O ATOM 1206 CB LYS B 465 -1.890 -10.973 -33.169 1.00 0.00 C ATOM 1207 CG LYS B 465 -2.209 -11.168 -34.653 1.00 0.00 C ATOM 1208 CD LYS B 465 -2.051 -9.857 -35.425 1.00 0.00 C ATOM 1209 CE LYS B 465 -0.631 -9.711 -35.975 1.00 0.00 C ATOM 1210 NZ LYS B 465 0.141 -8.742 -35.166 1.00 0.00 N ATOM 0 H LYS B 465 -4.313 -10.066 -31.881 1.00 0.00 H new ATOM 0 HA LYS B 465 -3.055 -12.645 -32.638 1.00 0.00 H new ATOM 0 HB2 LYS B 465 -1.820 -9.909 -32.945 1.00 0.00 H new ATOM 0 HB3 LYS B 465 -0.918 -11.411 -32.942 1.00 0.00 H new ATOM 0 HG2 LYS B 465 -1.547 -11.924 -35.075 1.00 0.00 H new ATOM 0 HG3 LYS B 465 -3.228 -11.539 -34.764 1.00 0.00 H new ATOM 0 HD2 LYS B 465 -2.767 -9.826 -36.246 1.00 0.00 H new ATOM 0 HD3 LYS B 465 -2.279 -9.016 -34.770 1.00 0.00 H new ATOM 0 HE2 LYS B 465 -0.131 -10.679 -35.968 1.00 0.00 H new ATOM 0 HE3 LYS B 465 -0.669 -9.379 -37.012 1.00 0.00 H new ATOM 0 HZ1 LYS B 465 1.102 -8.655 -35.553 1.00 0.00 H new ATOM 0 HZ2 LYS B 465 -0.329 -7.815 -35.194 1.00 0.00 H new ATOM 0 HZ3 LYS B 465 0.193 -9.075 -34.182 1.00 0.00 H new ATOM 1224 N LEU B 466 -3.559 -12.078 -29.999 1.00 0.00 N ATOM 1225 CA LEU B 466 -3.345 -12.183 -28.566 1.00 0.00 C ATOM 1226 C LEU B 466 -2.390 -13.344 -28.281 1.00 0.00 C ATOM 1227 O LEU B 466 -1.653 -13.320 -27.297 1.00 0.00 O ATOM 1228 CB LEU B 466 -4.682 -12.292 -27.831 1.00 0.00 C ATOM 1229 CG LEU B 466 -4.905 -13.576 -27.030 1.00 0.00 C ATOM 1230 CD1 LEU B 466 -4.310 -13.456 -25.625 1.00 0.00 C ATOM 1231 CD2 LEU B 466 -6.388 -13.950 -26.994 1.00 0.00 C ATOM 0 H LEU B 466 -4.496 -12.335 -30.310 1.00 0.00 H new ATOM 0 HA LEU B 466 -2.871 -11.279 -28.185 1.00 0.00 H new ATOM 0 HB2 LEU B 466 -4.771 -11.444 -27.152 1.00 0.00 H new ATOM 0 HB3 LEU B 466 -5.485 -12.200 -28.563 1.00 0.00 H new ATOM 0 HG LEU B 466 -4.381 -14.388 -27.534 1.00 0.00 H new ATOM 0 HD11 LEU B 466 -4.482 -14.382 -25.077 1.00 0.00 H new ATOM 0 HD12 LEU B 466 -3.238 -13.272 -25.698 1.00 0.00 H new ATOM 0 HD13 LEU B 466 -4.785 -12.629 -25.098 1.00 0.00 H new ATOM 0 HD21 LEU B 466 -6.518 -14.866 -26.418 1.00 0.00 H new ATOM 0 HD22 LEU B 466 -6.955 -13.145 -26.527 1.00 0.00 H new ATOM 0 HD23 LEU B 466 -6.749 -14.106 -28.011 1.00 0.00 H new ATOM 1243 N GLU B 467 -2.435 -14.335 -29.160 1.00 0.00 N ATOM 1244 CA GLU B 467 -1.584 -15.503 -29.015 1.00 0.00 C ATOM 1245 C GLU B 467 -0.120 -15.080 -28.878 1.00 0.00 C ATOM 1246 O GLU B 467 0.644 -15.706 -28.145 1.00 0.00 O ATOM 1247 CB GLU B 467 -1.769 -16.465 -30.191 1.00 0.00 C ATOM 1248 CG GLU B 467 -3.125 -17.169 -30.116 1.00 0.00 C ATOM 1249 CD GLU B 467 -3.720 -17.363 -31.512 1.00 0.00 C ATOM 1250 OE1 GLU B 467 -4.112 -16.337 -32.110 1.00 0.00 O ATOM 1251 OE2 GLU B 467 -3.769 -18.533 -31.950 1.00 0.00 O ATOM 0 H GLU B 467 -3.048 -14.352 -29.975 1.00 0.00 H new ATOM 0 HA GLU B 467 -1.876 -16.030 -28.107 1.00 0.00 H new ATOM 0 HB2 GLU B 467 -1.692 -15.916 -31.130 1.00 0.00 H new ATOM 0 HB3 GLU B 467 -0.970 -17.206 -30.188 1.00 0.00 H new ATOM 0 HG2 GLU B 467 -3.010 -18.137 -29.628 1.00 0.00 H new ATOM 0 HG3 GLU B 467 -3.810 -16.583 -29.503 1.00 0.00 H new ATOM 1258 N LYS B 468 0.226 -14.021 -29.594 1.00 0.00 N ATOM 1259 CA LYS B 468 1.585 -13.507 -29.561 1.00 0.00 C ATOM 1260 C LYS B 468 1.616 -12.213 -28.746 1.00 0.00 C ATOM 1261 O LYS B 468 2.629 -11.514 -28.722 1.00 0.00 O ATOM 1262 CB LYS B 468 2.134 -13.353 -30.981 1.00 0.00 C ATOM 1263 CG LYS B 468 1.219 -12.467 -31.829 1.00 0.00 C ATOM 1264 CD LYS B 468 0.732 -13.214 -33.073 1.00 0.00 C ATOM 1265 CE LYS B 468 -0.486 -14.081 -32.749 1.00 0.00 C ATOM 1266 NZ LYS B 468 -1.002 -14.729 -33.976 1.00 0.00 N ATOM 0 H LYS B 468 -0.411 -13.504 -30.201 1.00 0.00 H new ATOM 0 HA LYS B 468 2.248 -14.214 -29.063 1.00 0.00 H new ATOM 0 HB2 LYS B 468 3.133 -12.919 -30.943 1.00 0.00 H new ATOM 0 HB3 LYS B 468 2.230 -14.334 -31.446 1.00 0.00 H new ATOM 0 HG2 LYS B 468 0.363 -12.147 -31.234 1.00 0.00 H new ATOM 0 HG3 LYS B 468 1.754 -11.566 -32.128 1.00 0.00 H new ATOM 0 HD2 LYS B 468 0.476 -12.499 -33.855 1.00 0.00 H new ATOM 0 HD3 LYS B 468 1.535 -13.839 -33.464 1.00 0.00 H new ATOM 0 HE2 LYS B 468 -0.214 -14.841 -32.016 1.00 0.00 H new ATOM 0 HE3 LYS B 468 -1.267 -13.468 -32.298 1.00 0.00 H new ATOM 0 HZ1 LYS B 468 -1.928 -15.159 -33.778 1.00 0.00 H new ATOM 0 HZ2 LYS B 468 -1.104 -14.018 -34.728 1.00 0.00 H new ATOM 0 HZ3 LYS B 468 -0.337 -15.466 -34.285 1.00 0.00 H new ATOM 1280 N CYS B 469 0.496 -11.932 -28.097 1.00 0.00 N ATOM 1281 CA CYS B 469 0.382 -10.734 -27.283 1.00 0.00 C ATOM 1282 C CYS B 469 0.430 -11.147 -25.811 1.00 0.00 C ATOM 1283 O CYS B 469 0.695 -10.321 -24.938 1.00 0.00 O ATOM 1284 CB CYS B 469 -0.885 -9.943 -27.613 1.00 0.00 C ATOM 1285 SG CYS B 469 -0.552 -8.148 -27.496 1.00 0.00 S ATOM 0 H CYS B 469 -0.341 -12.514 -28.118 1.00 0.00 H new ATOM 0 HA CYS B 469 1.215 -10.065 -27.499 1.00 0.00 H new ATOM 0 HB2 CYS B 469 -1.228 -10.193 -28.617 1.00 0.00 H new ATOM 0 HB3 CYS B 469 -1.685 -10.218 -26.925 1.00 0.00 H new ATOM 0 HG CYS B 469 -1.634 -7.486 -27.780 1.00 0.00 H new ATOM 1291 N ARG B 470 0.171 -12.426 -25.579 1.00 0.00 N ATOM 1292 CA ARG B 470 0.181 -12.958 -24.227 1.00 0.00 C ATOM 1293 C ARG B 470 1.479 -12.574 -23.515 1.00 0.00 C ATOM 1294 O ARG B 470 2.502 -12.348 -24.160 1.00 0.00 O ATOM 1295 CB ARG B 470 0.043 -14.482 -24.235 1.00 0.00 C ATOM 1296 CG ARG B 470 -1.142 -14.921 -25.097 1.00 0.00 C ATOM 1297 CD ARG B 470 -1.861 -16.119 -24.472 1.00 0.00 C ATOM 1298 NE ARG B 470 -1.627 -17.331 -25.288 1.00 0.00 N ATOM 1299 CZ ARG B 470 -2.393 -17.698 -26.324 1.00 0.00 C ATOM 1300 NH1 ARG B 470 -3.446 -16.949 -26.678 1.00 0.00 N ATOM 1301 NH2 ARG B 470 -2.106 -18.815 -27.008 1.00 0.00 N ATOM 0 H ARG B 470 -0.047 -13.109 -26.305 1.00 0.00 H new ATOM 0 HA ARG B 470 -0.669 -12.530 -23.695 1.00 0.00 H new ATOM 0 HB2 ARG B 470 0.960 -14.932 -24.615 1.00 0.00 H new ATOM 0 HB3 ARG B 470 -0.091 -14.844 -23.216 1.00 0.00 H new ATOM 0 HG2 ARG B 470 -1.840 -14.092 -25.211 1.00 0.00 H new ATOM 0 HG3 ARG B 470 -0.793 -15.183 -26.096 1.00 0.00 H new ATOM 0 HD2 ARG B 470 -1.501 -16.280 -23.456 1.00 0.00 H new ATOM 0 HD3 ARG B 470 -2.930 -15.917 -24.404 1.00 0.00 H new ATOM 0 HE ARG B 470 -0.833 -17.924 -25.047 1.00 0.00 H new ATOM 0 HH11 ARG B 470 -3.665 -16.099 -26.159 1.00 0.00 H new ATOM 0 HH12 ARG B 470 -4.029 -17.229 -27.467 1.00 0.00 H new ATOM 0 HH21 ARG B 470 -1.304 -19.386 -26.740 1.00 0.00 H new ATOM 0 HH22 ARG B 470 -2.689 -19.094 -27.797 1.00 0.00 H new ATOM 1315 N GLY B 471 1.396 -12.512 -22.194 1.00 0.00 N ATOM 1316 CA GLY B 471 2.551 -12.157 -21.388 1.00 0.00 C ATOM 1317 C GLY B 471 2.342 -12.554 -19.925 1.00 0.00 C ATOM 1318 O GLY B 471 1.318 -13.143 -19.578 1.00 0.00 O ATOM 0 H GLY B 471 0.547 -12.702 -21.662 1.00 0.00 H new ATOM 0 HA2 GLY B 471 3.439 -12.653 -21.780 1.00 0.00 H new ATOM 0 HA3 GLY B 471 2.730 -11.084 -21.455 1.00 0.00 H new ATOM 1322 N VAL B 472 3.327 -12.217 -19.106 1.00 0.00 N ATOM 1323 CA VAL B 472 3.263 -12.530 -17.689 1.00 0.00 C ATOM 1324 C VAL B 472 3.464 -11.249 -16.878 1.00 0.00 C ATOM 1325 O VAL B 472 4.251 -10.385 -17.261 1.00 0.00 O ATOM 1326 CB VAL B 472 4.282 -13.620 -17.348 1.00 0.00 C ATOM 1327 CG1 VAL B 472 4.569 -13.651 -15.845 1.00 0.00 C ATOM 1328 CG2 VAL B 472 3.809 -14.988 -17.844 1.00 0.00 C ATOM 0 H VAL B 472 4.175 -11.730 -19.397 1.00 0.00 H new ATOM 0 HA VAL B 472 2.282 -12.928 -17.430 1.00 0.00 H new ATOM 0 HB VAL B 472 5.213 -13.381 -17.862 1.00 0.00 H new ATOM 0 HG11 VAL B 472 5.296 -14.434 -15.629 1.00 0.00 H new ATOM 0 HG12 VAL B 472 4.970 -12.687 -15.531 1.00 0.00 H new ATOM 0 HG13 VAL B 472 3.646 -13.854 -15.302 1.00 0.00 H new ATOM 0 HG21 VAL B 472 4.551 -15.744 -17.589 1.00 0.00 H new ATOM 0 HG22 VAL B 472 2.859 -15.238 -17.371 1.00 0.00 H new ATOM 0 HG23 VAL B 472 3.679 -14.958 -18.926 1.00 0.00 H new ATOM 1338 N PHE B 473 2.739 -11.167 -15.772 1.00 0.00 N ATOM 1339 CA PHE B 473 2.829 -10.006 -14.903 1.00 0.00 C ATOM 1340 C PHE B 473 2.661 -10.405 -13.435 1.00 0.00 C ATOM 1341 O PHE B 473 1.963 -11.370 -13.127 1.00 0.00 O ATOM 1342 CB PHE B 473 1.691 -9.063 -15.296 1.00 0.00 C ATOM 1343 CG PHE B 473 0.302 -9.561 -14.892 1.00 0.00 C ATOM 1344 CD1 PHE B 473 -0.262 -10.610 -15.549 1.00 0.00 C ATOM 1345 CD2 PHE B 473 -0.369 -8.956 -13.876 1.00 0.00 C ATOM 1346 CE1 PHE B 473 -1.551 -11.073 -15.174 1.00 0.00 C ATOM 1347 CE2 PHE B 473 -1.658 -9.418 -13.501 1.00 0.00 C ATOM 1348 CZ PHE B 473 -2.222 -10.467 -14.158 1.00 0.00 C ATOM 0 H PHE B 473 2.087 -11.886 -15.458 1.00 0.00 H new ATOM 0 HA PHE B 473 3.805 -9.534 -15.014 1.00 0.00 H new ATOM 0 HB2 PHE B 473 1.864 -8.090 -14.837 1.00 0.00 H new ATOM 0 HB3 PHE B 473 1.713 -8.914 -16.376 1.00 0.00 H new ATOM 0 HD1 PHE B 473 0.271 -11.091 -16.356 1.00 0.00 H new ATOM 0 HD2 PHE B 473 0.079 -8.123 -13.354 1.00 0.00 H new ATOM 0 HE1 PHE B 473 -1.998 -11.906 -15.696 1.00 0.00 H new ATOM 0 HE2 PHE B 473 -2.191 -8.937 -12.694 1.00 0.00 H new ATOM 0 HZ PHE B 473 -3.203 -10.819 -13.873 1.00 0.00 H new ATOM 1358 N PRO B 474 3.328 -9.622 -12.546 1.00 0.00 N ATOM 1359 CA PRO B 474 3.259 -9.884 -11.119 1.00 0.00 C ATOM 1360 C PRO B 474 1.910 -9.445 -10.545 1.00 0.00 C ATOM 1361 O PRO B 474 1.581 -8.260 -10.561 1.00 0.00 O ATOM 1362 CB PRO B 474 4.433 -9.126 -10.522 1.00 0.00 C ATOM 1363 CG PRO B 474 4.839 -8.097 -11.565 1.00 0.00 C ATOM 1364 CD PRO B 474 4.164 -8.471 -12.875 1.00 0.00 C ATOM 0 HA PRO B 474 3.327 -10.946 -10.883 1.00 0.00 H new ATOM 0 HB2 PRO B 474 4.151 -8.643 -9.586 1.00 0.00 H new ATOM 0 HB3 PRO B 474 5.259 -9.800 -10.296 1.00 0.00 H new ATOM 0 HG2 PRO B 474 4.538 -7.097 -11.252 1.00 0.00 H new ATOM 0 HG3 PRO B 474 5.922 -8.081 -11.684 1.00 0.00 H new ATOM 0 HD2 PRO B 474 3.567 -7.646 -13.262 1.00 0.00 H new ATOM 0 HD3 PRO B 474 4.898 -8.721 -13.641 1.00 0.00 H new ATOM 1372 N GLU B 475 1.165 -10.424 -10.052 1.00 0.00 N ATOM 1373 CA GLU B 475 -0.140 -10.153 -9.476 1.00 0.00 C ATOM 1374 C GLU B 475 0.009 -9.395 -8.155 1.00 0.00 C ATOM 1375 O GLU B 475 -0.865 -8.615 -7.781 1.00 0.00 O ATOM 1376 CB GLU B 475 -0.931 -11.448 -9.278 1.00 0.00 C ATOM 1377 CG GLU B 475 -2.062 -11.250 -8.266 1.00 0.00 C ATOM 1378 CD GLU B 475 -3.306 -12.043 -8.672 1.00 0.00 C ATOM 1379 OE1 GLU B 475 -3.393 -13.217 -8.252 1.00 0.00 O ATOM 1380 OE2 GLU B 475 -4.142 -11.457 -9.393 1.00 0.00 O ATOM 0 H GLU B 475 1.441 -11.406 -10.040 1.00 0.00 H new ATOM 0 HA GLU B 475 -0.699 -9.526 -10.171 1.00 0.00 H new ATOM 0 HB2 GLU B 475 -1.345 -11.775 -10.232 1.00 0.00 H new ATOM 0 HB3 GLU B 475 -0.263 -12.237 -8.933 1.00 0.00 H new ATOM 0 HG2 GLU B 475 -1.730 -11.568 -7.278 1.00 0.00 H new ATOM 0 HG3 GLU B 475 -2.309 -10.191 -8.194 1.00 0.00 H new ATOM 1387 N ASN B 476 1.124 -9.650 -7.486 1.00 0.00 N ATOM 1388 CA ASN B 476 1.399 -9.002 -6.216 1.00 0.00 C ATOM 1389 C ASN B 476 1.753 -7.534 -6.463 1.00 0.00 C ATOM 1390 O ASN B 476 1.942 -6.769 -5.518 1.00 0.00 O ATOM 1391 CB ASN B 476 2.584 -9.660 -5.506 1.00 0.00 C ATOM 1392 CG ASN B 476 3.846 -9.593 -6.369 1.00 0.00 C ATOM 1393 OD1 ASN B 476 4.635 -8.666 -6.289 1.00 0.00 O ATOM 1394 ND2 ASN B 476 3.991 -10.624 -7.197 1.00 0.00 N ATOM 0 H ASN B 476 1.847 -10.297 -7.800 1.00 0.00 H new ATOM 0 HA ASN B 476 0.509 -9.093 -5.593 1.00 0.00 H new ATOM 0 HB2 ASN B 476 2.764 -9.162 -4.553 1.00 0.00 H new ATOM 0 HB3 ASN B 476 2.347 -10.700 -5.282 1.00 0.00 H new ATOM 0 HD21 ASN B 476 4.801 -10.671 -7.815 1.00 0.00 H new ATOM 0 HD22 ASN B 476 3.292 -11.367 -7.213 1.00 0.00 H new ATOM 1401 N PHE B 477 1.830 -7.183 -7.738 1.00 0.00 N ATOM 1402 CA PHE B 477 2.157 -5.821 -8.122 1.00 0.00 C ATOM 1403 C PHE B 477 0.961 -5.136 -8.787 1.00 0.00 C ATOM 1404 O PHE B 477 1.057 -3.986 -9.212 1.00 0.00 O ATOM 1405 CB PHE B 477 3.307 -5.903 -9.128 1.00 0.00 C ATOM 1406 CG PHE B 477 3.220 -4.875 -10.258 1.00 0.00 C ATOM 1407 CD1 PHE B 477 2.303 -5.032 -11.250 1.00 0.00 C ATOM 1408 CD2 PHE B 477 4.059 -3.804 -10.269 1.00 0.00 C ATOM 1409 CE1 PHE B 477 2.222 -4.078 -12.299 1.00 0.00 C ATOM 1410 CE2 PHE B 477 3.978 -2.850 -11.318 1.00 0.00 C ATOM 1411 CZ PHE B 477 3.061 -3.007 -12.311 1.00 0.00 C ATOM 0 H PHE B 477 1.671 -7.819 -8.519 1.00 0.00 H new ATOM 0 HA PHE B 477 2.429 -5.241 -7.240 1.00 0.00 H new ATOM 0 HB2 PHE B 477 4.250 -5.767 -8.598 1.00 0.00 H new ATOM 0 HB3 PHE B 477 3.327 -6.903 -9.561 1.00 0.00 H new ATOM 0 HD1 PHE B 477 1.637 -5.882 -11.240 1.00 0.00 H new ATOM 0 HD2 PHE B 477 4.786 -3.679 -9.480 1.00 0.00 H new ATOM 0 HE1 PHE B 477 1.494 -4.203 -13.087 1.00 0.00 H new ATOM 0 HE2 PHE B 477 4.644 -2.000 -11.328 1.00 0.00 H new ATOM 0 HZ PHE B 477 2.999 -2.281 -13.109 1.00 0.00 H new ATOM 1421 N THR B 478 -0.138 -5.873 -8.857 1.00 0.00 N ATOM 1422 CA THR B 478 -1.352 -5.351 -9.461 1.00 0.00 C ATOM 1423 C THR B 478 -2.543 -5.547 -8.521 1.00 0.00 C ATOM 1424 O THR B 478 -2.391 -6.083 -7.424 1.00 0.00 O ATOM 1425 CB THR B 478 -1.532 -6.029 -10.821 1.00 0.00 C ATOM 1426 OG1 THR B 478 -1.018 -7.343 -10.624 1.00 0.00 O ATOM 1427 CG2 THR B 478 -0.625 -5.431 -11.898 1.00 0.00 C ATOM 0 H THR B 478 -0.213 -6.828 -8.505 1.00 0.00 H new ATOM 0 HA THR B 478 -1.282 -4.276 -9.624 1.00 0.00 H new ATOM 0 HB THR B 478 -2.572 -5.943 -11.135 1.00 0.00 H new ATOM 0 HG1 THR B 478 -0.045 -7.335 -10.741 1.00 0.00 H new ATOM 0 HG21 THR B 478 -0.792 -5.948 -12.843 1.00 0.00 H new ATOM 0 HG22 THR B 478 -0.853 -4.372 -12.018 1.00 0.00 H new ATOM 0 HG23 THR B 478 0.417 -5.546 -11.601 1.00 0.00 H new ATOM 1435 N GLU B 479 -3.701 -5.103 -8.986 1.00 0.00 N ATOM 1436 CA GLU B 479 -4.918 -5.224 -8.200 1.00 0.00 C ATOM 1437 C GLU B 479 -6.044 -5.810 -9.053 1.00 0.00 C ATOM 1438 O GLU B 479 -6.141 -5.520 -10.245 1.00 0.00 O ATOM 1439 CB GLU B 479 -5.325 -3.873 -7.608 1.00 0.00 C ATOM 1440 CG GLU B 479 -5.994 -4.051 -6.244 1.00 0.00 C ATOM 1441 CD GLU B 479 -6.445 -2.705 -5.674 1.00 0.00 C ATOM 1442 OE1 GLU B 479 -7.305 -2.072 -6.325 1.00 0.00 O ATOM 1443 OE2 GLU B 479 -5.919 -2.338 -4.601 1.00 0.00 O ATOM 0 H GLU B 479 -3.823 -4.659 -9.896 1.00 0.00 H new ATOM 0 HA GLU B 479 -4.725 -5.904 -7.370 1.00 0.00 H new ATOM 0 HB2 GLU B 479 -4.446 -3.237 -7.505 1.00 0.00 H new ATOM 0 HB3 GLU B 479 -6.008 -3.365 -8.288 1.00 0.00 H new ATOM 0 HG2 GLU B 479 -6.853 -4.715 -6.340 1.00 0.00 H new ATOM 0 HG3 GLU B 479 -5.298 -4.528 -5.553 1.00 0.00 H new ATOM 1450 N ARG B 480 -6.868 -6.625 -8.410 1.00 0.00 N ATOM 1451 CA ARG B 480 -7.984 -7.255 -9.095 1.00 0.00 C ATOM 1452 C ARG B 480 -9.195 -6.321 -9.106 1.00 0.00 C ATOM 1453 O ARG B 480 -9.518 -5.705 -8.091 1.00 0.00 O ATOM 1454 CB ARG B 480 -8.371 -8.573 -8.422 1.00 0.00 C ATOM 1455 CG ARG B 480 -7.174 -9.523 -8.348 1.00 0.00 C ATOM 1456 CD ARG B 480 -7.619 -10.979 -8.507 1.00 0.00 C ATOM 1457 NE ARG B 480 -7.433 -11.707 -7.232 1.00 0.00 N ATOM 1458 CZ ARG B 480 -8.317 -11.696 -6.225 1.00 0.00 C ATOM 1459 NH1 ARG B 480 -9.453 -10.994 -6.339 1.00 0.00 N ATOM 1460 NH2 ARG B 480 -8.066 -12.386 -5.105 1.00 0.00 N ATOM 0 H ARG B 480 -6.785 -6.863 -7.422 1.00 0.00 H new ATOM 0 HA ARG B 480 -7.671 -7.462 -10.118 1.00 0.00 H new ATOM 0 HB2 ARG B 480 -8.746 -8.376 -7.418 1.00 0.00 H new ATOM 0 HB3 ARG B 480 -9.181 -9.045 -8.978 1.00 0.00 H new ATOM 0 HG2 ARG B 480 -6.456 -9.271 -9.129 1.00 0.00 H new ATOM 0 HG3 ARG B 480 -6.664 -9.397 -7.393 1.00 0.00 H new ATOM 0 HD2 ARG B 480 -8.666 -11.017 -8.808 1.00 0.00 H new ATOM 0 HD3 ARG B 480 -7.043 -11.460 -9.297 1.00 0.00 H new ATOM 0 HE ARG B 480 -6.579 -12.251 -7.112 1.00 0.00 H new ATOM 0 HH11 ARG B 480 -9.644 -10.468 -7.192 1.00 0.00 H new ATOM 0 HH12 ARG B 480 -10.126 -10.985 -5.573 1.00 0.00 H new ATOM 0 HH21 ARG B 480 -7.201 -12.920 -5.018 1.00 0.00 H new ATOM 0 HH22 ARG B 480 -8.739 -12.377 -4.339 1.00 0.00 H new ATOM 1474 N VAL B 481 -9.833 -6.245 -10.265 1.00 0.00 N ATOM 1475 CA VAL B 481 -11.002 -5.395 -10.421 1.00 0.00 C ATOM 1476 C VAL B 481 -12.260 -6.265 -10.441 1.00 0.00 C ATOM 1477 O VAL B 481 -12.268 -7.339 -11.041 1.00 0.00 O ATOM 1478 CB VAL B 481 -10.854 -4.528 -11.673 1.00 0.00 C ATOM 1479 CG1 VAL B 481 -11.950 -3.462 -11.733 1.00 0.00 C ATOM 1480 CG2 VAL B 481 -9.465 -3.890 -11.737 1.00 0.00 C ATOM 0 H VAL B 481 -9.563 -6.758 -11.104 1.00 0.00 H new ATOM 0 HA VAL B 481 -11.093 -4.711 -9.577 1.00 0.00 H new ATOM 0 HB VAL B 481 -10.966 -5.174 -12.544 1.00 0.00 H new ATOM 0 HG11 VAL B 481 -11.822 -2.859 -12.632 1.00 0.00 H new ATOM 0 HG12 VAL B 481 -12.927 -3.945 -11.756 1.00 0.00 H new ATOM 0 HG13 VAL B 481 -11.883 -2.821 -10.854 1.00 0.00 H new ATOM 0 HG21 VAL B 481 -9.386 -3.279 -12.636 1.00 0.00 H new ATOM 0 HG22 VAL B 481 -9.311 -3.264 -10.858 1.00 0.00 H new ATOM 0 HG23 VAL B 481 -8.706 -4.672 -11.762 1.00 0.00 H new ATOM 1490 N PRO B 482 -13.322 -5.756 -9.761 1.00 0.00 N ATOM 1491 CA PRO B 482 -14.583 -6.475 -9.694 1.00 0.00 C ATOM 1492 C PRO B 482 -15.341 -6.376 -11.019 1.00 0.00 C ATOM 1493 O PRO B 482 -15.112 -5.456 -11.803 1.00 0.00 O ATOM 1494 CB PRO B 482 -15.334 -5.845 -8.532 1.00 0.00 C ATOM 1495 CG PRO B 482 -14.671 -4.499 -8.288 1.00 0.00 C ATOM 1496 CD PRO B 482 -13.350 -4.487 -9.040 1.00 0.00 C ATOM 0 HA PRO B 482 -14.449 -7.545 -9.532 1.00 0.00 H new ATOM 0 HB2 PRO B 482 -16.391 -5.722 -8.770 1.00 0.00 H new ATOM 0 HB3 PRO B 482 -15.278 -6.474 -7.644 1.00 0.00 H new ATOM 0 HG2 PRO B 482 -15.314 -3.689 -8.632 1.00 0.00 H new ATOM 0 HG3 PRO B 482 -14.505 -4.343 -7.222 1.00 0.00 H new ATOM 0 HD2 PRO B 482 -13.292 -3.641 -9.725 1.00 0.00 H new ATOM 0 HD3 PRO B 482 -12.506 -4.402 -8.356 1.00 0.00 H new