USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=11 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 -108:sc= -1.76 (180deg=-5.25!) USER MOD Single : B 413 LYS NZ :NH3+ -167:sc= -3.73! (180deg=-4.09!) USER MOD Single : B 415 GLN : amide:sc= -4.14 K(o=-4.1,f=-1.2) USER MOD Single : B 417 GLN : amide:sc= -2.75! C(o=-2.8!,f=-1.7!) USER MOD Single : B 418 HIS : no HD1:sc= -0.694 X(o=-0.69,f=-0.3) USER MOD Single : B 420 TYR OH : rot 101:sc= 0.169 USER MOD Single : B 421 THR OG1 : rot 180:sc= 0 USER MOD Single : B 423 THR OG1 : rot 57:sc= 0.418 USER MOD Single : B 425 THR OG1 : rot -36:sc= 0.434 USER MOD Single : B 429 GLN : amide:sc= 0.192 X(o=0.19,f=0) USER MOD Single : B 431 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 453 MET CE :methyl 131:sc= -4.6! (180deg=-7.05!) USER MOD Single : B 456 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 458 SER OG : rot 180:sc= 0 USER MOD Single : B 461 ASN : amide:sc= -0.302 X(o=-0.3,f=0) USER MOD Single : B 462 GLN : amide:sc= -0.82 X(o=-0.82,f=-0.41) USER MOD Single : B 463 HIS : no HD1:sc= -0.682 K(o=-0.68,f=-2!) USER MOD Single : B 464 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 465 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 468 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 469 CYS SG : rot -57:sc= -2.1! USER MOD Single : B 476 ASN : amide:sc= -4.35! C(o=-4.4!,f=-10!) USER MOD Single : B 478 THR OG1 : rot -84:sc= 0.0396 USER MOD ----------------------------------------------------------------- ATOM 67 N PRO A 59 5.060 -7.885 -8.706 1.00 0.00 N ATOM 68 CA PRO A 59 4.951 -9.329 -8.825 1.00 0.00 C ATOM 69 C PRO A 59 6.160 -9.912 -9.561 1.00 0.00 C ATOM 70 O PRO A 59 6.984 -9.169 -10.092 1.00 0.00 O ATOM 71 CB PRO A 59 3.640 -9.566 -9.557 1.00 0.00 C ATOM 72 CG PRO A 59 3.294 -8.247 -10.228 1.00 0.00 C ATOM 73 CD PRO A 59 4.178 -7.169 -9.622 1.00 0.00 C ATOM 0 HA PRO A 59 4.948 -9.831 -7.858 1.00 0.00 H new ATOM 0 HB2 PRO A 59 3.742 -10.364 -10.293 1.00 0.00 H new ATOM 0 HB3 PRO A 59 2.855 -9.870 -8.864 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.455 -8.312 -11.304 1.00 0.00 H new ATOM 0 HG3 PRO A 59 2.242 -8.007 -10.077 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.746 -6.645 -10.390 1.00 0.00 H new ATOM 0 HD3 PRO A 59 3.585 -6.420 -9.097 1.00 0.00 H new ATOM 81 N PRO A 60 6.229 -11.270 -9.568 1.00 0.00 N ATOM 82 CA PRO A 60 7.323 -11.960 -10.230 1.00 0.00 C ATOM 83 C PRO A 60 7.152 -11.927 -11.750 1.00 0.00 C ATOM 84 O PRO A 60 6.067 -11.634 -12.250 1.00 0.00 O ATOM 85 CB PRO A 60 7.301 -13.369 -9.660 1.00 0.00 C ATOM 86 CG PRO A 60 5.919 -13.552 -9.053 1.00 0.00 C ATOM 87 CD PRO A 60 5.272 -12.181 -8.947 1.00 0.00 C ATOM 0 HA PRO A 60 8.289 -11.487 -10.051 1.00 0.00 H new ATOM 0 HB2 PRO A 60 7.486 -14.108 -10.439 1.00 0.00 H new ATOM 0 HB3 PRO A 60 8.078 -13.498 -8.907 1.00 0.00 H new ATOM 0 HG2 PRO A 60 5.314 -14.213 -9.674 1.00 0.00 H new ATOM 0 HG3 PRO A 60 5.992 -14.017 -8.070 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.311 -12.156 -9.461 1.00 0.00 H new ATOM 0 HD3 PRO A 60 5.085 -11.911 -7.908 1.00 0.00 H new ATOM 95 N LEU A 61 8.240 -12.231 -12.442 1.00 0.00 N ATOM 96 CA LEU A 61 8.224 -12.239 -13.895 1.00 0.00 C ATOM 97 C LEU A 61 7.156 -13.219 -14.384 1.00 0.00 C ATOM 98 O LEU A 61 7.104 -14.362 -13.932 1.00 0.00 O ATOM 99 CB LEU A 61 9.623 -12.529 -14.444 1.00 0.00 C ATOM 100 CG LEU A 61 10.066 -13.993 -14.409 1.00 0.00 C ATOM 101 CD1 LEU A 61 11.077 -14.287 -15.520 1.00 0.00 C ATOM 102 CD2 LEU A 61 10.607 -14.369 -13.028 1.00 0.00 C ATOM 0 H LEU A 61 9.138 -12.474 -12.024 1.00 0.00 H new ATOM 0 HA LEU A 61 7.953 -11.255 -14.279 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.666 -12.181 -15.476 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.344 -11.938 -13.878 1.00 0.00 H new ATOM 0 HG LEU A 61 9.193 -14.619 -14.594 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.375 -15.334 -15.473 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.622 -14.083 -16.489 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.954 -13.653 -15.390 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.915 -15.415 -13.030 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.464 -13.739 -12.789 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.828 -14.222 -12.280 1.00 0.00 H new ATOM 114 N SER A 62 6.330 -12.735 -15.300 1.00 0.00 N ATOM 115 CA SER A 62 5.266 -13.555 -15.856 1.00 0.00 C ATOM 116 C SER A 62 5.764 -14.279 -17.108 1.00 0.00 C ATOM 117 O SER A 62 6.723 -13.843 -17.742 1.00 0.00 O ATOM 118 CB SER A 62 4.035 -12.709 -16.186 1.00 0.00 C ATOM 119 OG SER A 62 4.257 -11.856 -17.305 1.00 0.00 O ATOM 0 H SER A 62 6.376 -11.786 -15.671 1.00 0.00 H new ATOM 0 HA SER A 62 4.976 -14.293 -15.108 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.189 -13.365 -16.393 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.766 -12.106 -15.318 1.00 0.00 H new ATOM 0 HG SER A 62 3.447 -11.334 -17.484 1.00 0.00 H new ATOM 125 N PRO A 63 5.070 -15.403 -17.435 1.00 0.00 N ATOM 126 CA PRO A 63 5.432 -16.192 -18.601 1.00 0.00 C ATOM 127 C PRO A 63 4.987 -15.500 -19.891 1.00 0.00 C ATOM 128 O PRO A 63 4.307 -14.475 -19.847 1.00 0.00 O ATOM 129 CB PRO A 63 4.760 -17.539 -18.387 1.00 0.00 C ATOM 130 CG PRO A 63 3.675 -17.304 -17.350 1.00 0.00 C ATOM 131 CD PRO A 63 3.929 -15.950 -16.708 1.00 0.00 C ATOM 0 HA PRO A 63 6.510 -16.312 -18.710 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.336 -17.916 -19.318 1.00 0.00 H new ATOM 0 HB3 PRO A 63 5.477 -18.282 -18.040 1.00 0.00 H new ATOM 0 HG2 PRO A 63 2.690 -17.327 -17.816 1.00 0.00 H new ATOM 0 HG3 PRO A 63 3.689 -18.092 -16.597 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.057 -15.301 -16.794 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.148 -16.051 -15.645 1.00 0.00 H new ATOM 279 N LEU B 406 -16.884 1.286 -27.652 1.00 0.00 N ATOM 280 CA LEU B 406 -16.253 0.640 -26.514 1.00 0.00 C ATOM 281 C LEU B 406 -15.867 -0.791 -26.895 1.00 0.00 C ATOM 282 O LEU B 406 -16.433 -1.363 -27.825 1.00 0.00 O ATOM 283 CB LEU B 406 -17.155 0.726 -25.281 1.00 0.00 C ATOM 284 CG LEU B 406 -17.666 -0.606 -24.730 1.00 0.00 C ATOM 285 CD1 LEU B 406 -18.093 -0.467 -23.267 1.00 0.00 C ATOM 286 CD2 LEU B 406 -18.790 -1.167 -25.604 1.00 0.00 C ATOM 0 HA LEU B 406 -15.333 1.158 -26.244 1.00 0.00 H new ATOM 0 HB2 LEU B 406 -16.607 1.238 -24.490 1.00 0.00 H new ATOM 0 HB3 LEU B 406 -18.015 1.349 -25.527 1.00 0.00 H new ATOM 0 HG LEU B 406 -16.846 -1.324 -24.760 1.00 0.00 H new ATOM 0 HD11 LEU B 406 -18.452 -1.428 -22.900 1.00 0.00 H new ATOM 0 HD12 LEU B 406 -17.241 -0.145 -22.668 1.00 0.00 H new ATOM 0 HD13 LEU B 406 -18.891 0.272 -23.189 1.00 0.00 H new ATOM 0 HD21 LEU B 406 -19.135 -2.114 -25.190 1.00 0.00 H new ATOM 0 HD22 LEU B 406 -19.619 -0.459 -25.630 1.00 0.00 H new ATOM 0 HD23 LEU B 406 -18.418 -1.328 -26.616 1.00 0.00 H new ATOM 298 N PRO B 407 -14.882 -1.341 -26.137 1.00 0.00 N ATOM 299 CA PRO B 407 -14.413 -2.694 -26.386 1.00 0.00 C ATOM 300 C PRO B 407 -15.425 -3.726 -25.882 1.00 0.00 C ATOM 301 O PRO B 407 -15.956 -3.593 -24.780 1.00 0.00 O ATOM 302 CB PRO B 407 -13.072 -2.782 -25.677 1.00 0.00 C ATOM 303 CG PRO B 407 -13.053 -1.639 -24.675 1.00 0.00 C ATOM 304 CD PRO B 407 -14.189 -0.693 -25.027 1.00 0.00 C ATOM 0 HA PRO B 407 -14.302 -2.912 -27.448 1.00 0.00 H new ATOM 0 HB2 PRO B 407 -12.958 -3.743 -25.175 1.00 0.00 H new ATOM 0 HB3 PRO B 407 -12.249 -2.693 -26.386 1.00 0.00 H new ATOM 0 HG2 PRO B 407 -13.173 -2.019 -23.660 1.00 0.00 H new ATOM 0 HG3 PRO B 407 -12.097 -1.117 -24.709 1.00 0.00 H new ATOM 0 HD2 PRO B 407 -14.856 -0.542 -24.178 1.00 0.00 H new ATOM 0 HD3 PRO B 407 -13.812 0.288 -25.315 1.00 0.00 H new ATOM 312 N PRO B 408 -15.667 -4.757 -26.734 1.00 0.00 N ATOM 313 CA PRO B 408 -16.605 -5.811 -26.386 1.00 0.00 C ATOM 314 C PRO B 408 -16.001 -6.763 -25.352 1.00 0.00 C ATOM 315 O PRO B 408 -14.833 -7.135 -25.452 1.00 0.00 O ATOM 316 CB PRO B 408 -16.933 -6.496 -27.703 1.00 0.00 C ATOM 317 CG PRO B 408 -15.821 -6.107 -28.664 1.00 0.00 C ATOM 318 CD PRO B 408 -15.057 -4.947 -28.047 1.00 0.00 C ATOM 0 HA PRO B 408 -17.510 -5.429 -25.914 1.00 0.00 H new ATOM 0 HB2 PRO B 408 -16.981 -7.578 -27.579 1.00 0.00 H new ATOM 0 HB3 PRO B 408 -17.904 -6.175 -28.079 1.00 0.00 H new ATOM 0 HG2 PRO B 408 -15.155 -6.952 -28.840 1.00 0.00 H new ATOM 0 HG3 PRO B 408 -16.235 -5.820 -29.631 1.00 0.00 H new ATOM 0 HD2 PRO B 408 -13.994 -5.174 -27.961 1.00 0.00 H new ATOM 0 HD3 PRO B 408 -15.142 -4.048 -28.657 1.00 0.00 H new ATOM 326 N GLY B 409 -16.824 -7.130 -24.381 1.00 0.00 N ATOM 327 CA GLY B 409 -16.386 -8.031 -23.329 1.00 0.00 C ATOM 328 C GLY B 409 -15.775 -7.254 -22.161 1.00 0.00 C ATOM 329 O GLY B 409 -15.740 -7.746 -21.034 1.00 0.00 O ATOM 0 H GLY B 409 -17.792 -6.820 -24.301 1.00 0.00 H new ATOM 0 HA2 GLY B 409 -17.231 -8.621 -22.975 1.00 0.00 H new ATOM 0 HA3 GLY B 409 -15.653 -8.732 -23.728 1.00 0.00 H new ATOM 333 N PHE B 410 -15.307 -6.054 -22.470 1.00 0.00 N ATOM 334 CA PHE B 410 -14.699 -5.204 -21.461 1.00 0.00 C ATOM 335 C PHE B 410 -15.407 -5.360 -20.114 1.00 0.00 C ATOM 336 O PHE B 410 -16.612 -5.605 -20.066 1.00 0.00 O ATOM 337 CB PHE B 410 -14.852 -3.760 -21.940 1.00 0.00 C ATOM 338 CG PHE B 410 -14.777 -2.721 -20.819 1.00 0.00 C ATOM 339 CD1 PHE B 410 -13.568 -2.324 -20.340 1.00 0.00 C ATOM 340 CD2 PHE B 410 -15.919 -2.194 -20.302 1.00 0.00 C ATOM 341 CE1 PHE B 410 -13.498 -1.360 -19.300 1.00 0.00 C ATOM 342 CE2 PHE B 410 -15.850 -1.230 -19.262 1.00 0.00 C ATOM 343 CZ PHE B 410 -14.640 -0.833 -18.783 1.00 0.00 C ATOM 0 H PHE B 410 -15.337 -5.650 -23.406 1.00 0.00 H new ATOM 0 HA PHE B 410 -13.653 -5.478 -21.325 1.00 0.00 H new ATOM 0 HB2 PHE B 410 -14.073 -3.546 -22.672 1.00 0.00 H new ATOM 0 HB3 PHE B 410 -15.808 -3.658 -22.453 1.00 0.00 H new ATOM 0 HD1 PHE B 410 -12.661 -2.742 -20.751 1.00 0.00 H new ATOM 0 HD2 PHE B 410 -16.879 -2.509 -20.683 1.00 0.00 H new ATOM 0 HE1 PHE B 410 -12.538 -1.045 -18.919 1.00 0.00 H new ATOM 0 HE2 PHE B 410 -16.757 -0.812 -18.851 1.00 0.00 H new ATOM 0 HZ PHE B 410 -14.587 -0.099 -17.992 1.00 0.00 H new ATOM 353 N MET B 411 -14.629 -5.213 -19.051 1.00 0.00 N ATOM 354 CA MET B 411 -15.167 -5.333 -17.707 1.00 0.00 C ATOM 355 C MET B 411 -15.289 -3.961 -17.041 1.00 0.00 C ATOM 356 O MET B 411 -16.395 -3.460 -16.843 1.00 0.00 O ATOM 357 CB MET B 411 -14.251 -6.228 -16.869 1.00 0.00 C ATOM 358 CG MET B 411 -14.067 -7.596 -17.530 1.00 0.00 C ATOM 359 SD MET B 411 -13.520 -8.789 -16.320 1.00 0.00 S ATOM 360 CE MET B 411 -12.070 -9.424 -17.145 1.00 0.00 C ATOM 0 H MET B 411 -13.630 -5.012 -19.094 1.00 0.00 H new ATOM 0 HA MET B 411 -16.162 -5.774 -17.771 1.00 0.00 H new ATOM 0 HB2 MET B 411 -13.281 -5.747 -16.745 1.00 0.00 H new ATOM 0 HB3 MET B 411 -14.674 -6.356 -15.872 1.00 0.00 H new ATOM 0 HG2 MET B 411 -15.006 -7.923 -17.976 1.00 0.00 H new ATOM 0 HG3 MET B 411 -13.338 -7.524 -18.337 1.00 0.00 H new ATOM 0 HE1 MET B 411 -12.267 -10.436 -17.499 1.00 0.00 H new ATOM 0 HE2 MET B 411 -11.824 -8.784 -17.992 1.00 0.00 H new ATOM 0 HE3 MET B 411 -11.232 -9.440 -16.448 1.00 0.00 H new ATOM 370 N PHE B 412 -14.138 -3.393 -16.713 1.00 0.00 N ATOM 371 CA PHE B 412 -14.103 -2.090 -16.072 1.00 0.00 C ATOM 372 C PHE B 412 -12.751 -1.407 -16.291 1.00 0.00 C ATOM 373 O PHE B 412 -11.870 -1.963 -16.946 1.00 0.00 O ATOM 374 CB PHE B 412 -14.306 -2.323 -14.574 1.00 0.00 C ATOM 375 CG PHE B 412 -13.440 -3.443 -13.995 1.00 0.00 C ATOM 376 CD1 PHE B 412 -12.148 -3.194 -13.650 1.00 0.00 C ATOM 377 CD2 PHE B 412 -13.961 -4.687 -13.825 1.00 0.00 C ATOM 378 CE1 PHE B 412 -11.344 -4.233 -13.113 1.00 0.00 C ATOM 379 CE2 PHE B 412 -13.157 -5.727 -13.288 1.00 0.00 C ATOM 380 CZ PHE B 412 -11.865 -5.478 -12.943 1.00 0.00 C ATOM 0 H PHE B 412 -13.223 -3.811 -16.879 1.00 0.00 H new ATOM 0 HA PHE B 412 -14.877 -1.448 -16.493 1.00 0.00 H new ATOM 0 HB2 PHE B 412 -14.089 -1.398 -14.040 1.00 0.00 H new ATOM 0 HB3 PHE B 412 -15.355 -2.558 -14.392 1.00 0.00 H new ATOM 0 HD1 PHE B 412 -11.734 -2.206 -13.785 1.00 0.00 H new ATOM 0 HD2 PHE B 412 -14.987 -4.884 -14.099 1.00 0.00 H new ATOM 0 HE1 PHE B 412 -10.318 -4.035 -12.839 1.00 0.00 H new ATOM 0 HE2 PHE B 412 -13.571 -6.715 -13.154 1.00 0.00 H new ATOM 0 HZ PHE B 412 -11.253 -6.268 -12.534 1.00 0.00 H new ATOM 390 N LYS B 413 -12.630 -0.213 -15.730 1.00 0.00 N ATOM 391 CA LYS B 413 -11.400 0.551 -15.857 1.00 0.00 C ATOM 392 C LYS B 413 -10.565 0.379 -14.586 1.00 0.00 C ATOM 393 O LYS B 413 -11.112 0.259 -13.491 1.00 0.00 O ATOM 394 CB LYS B 413 -11.709 2.011 -16.196 1.00 0.00 C ATOM 395 CG LYS B 413 -10.538 2.662 -16.933 1.00 0.00 C ATOM 396 CD LYS B 413 -10.183 4.015 -16.312 1.00 0.00 C ATOM 397 CE LYS B 413 -9.011 3.881 -15.338 1.00 0.00 C ATOM 398 NZ LYS B 413 -8.858 5.116 -14.538 1.00 0.00 N ATOM 0 H LYS B 413 -13.362 0.244 -15.187 1.00 0.00 H new ATOM 0 HA LYS B 413 -10.801 0.175 -16.686 1.00 0.00 H new ATOM 0 HB2 LYS B 413 -12.606 2.063 -16.813 1.00 0.00 H new ATOM 0 HB3 LYS B 413 -11.920 2.564 -15.281 1.00 0.00 H new ATOM 0 HG2 LYS B 413 -9.670 2.003 -16.898 1.00 0.00 H new ATOM 0 HG3 LYS B 413 -10.795 2.796 -17.984 1.00 0.00 H new ATOM 0 HD2 LYS B 413 -9.927 4.724 -17.099 1.00 0.00 H new ATOM 0 HD3 LYS B 413 -11.050 4.418 -15.789 1.00 0.00 H new ATOM 0 HE2 LYS B 413 -9.176 3.030 -14.677 1.00 0.00 H new ATOM 0 HE3 LYS B 413 -8.092 3.682 -15.890 1.00 0.00 H new ATOM 0 HZ1 LYS B 413 -7.941 5.100 -14.047 1.00 0.00 H new ATOM 0 HZ2 LYS B 413 -8.900 5.944 -15.166 1.00 0.00 H new ATOM 0 HZ3 LYS B 413 -9.625 5.173 -13.838 1.00 0.00 H new ATOM 412 N VAL B 414 -9.254 0.372 -14.775 1.00 0.00 N ATOM 413 CA VAL B 414 -8.337 0.215 -13.659 1.00 0.00 C ATOM 414 C VAL B 414 -7.314 1.352 -13.680 1.00 0.00 C ATOM 415 O VAL B 414 -7.174 2.047 -14.685 1.00 0.00 O ATOM 416 CB VAL B 414 -7.691 -1.172 -13.703 1.00 0.00 C ATOM 417 CG1 VAL B 414 -8.748 -2.264 -13.878 1.00 0.00 C ATOM 418 CG2 VAL B 414 -6.635 -1.249 -14.807 1.00 0.00 C ATOM 0 H VAL B 414 -8.804 0.473 -15.685 1.00 0.00 H new ATOM 0 HA VAL B 414 -8.874 0.279 -12.712 1.00 0.00 H new ATOM 0 HB VAL B 414 -7.192 -1.340 -12.749 1.00 0.00 H new ATOM 0 HG11 VAL B 414 -8.262 -3.239 -13.906 1.00 0.00 H new ATOM 0 HG12 VAL B 414 -9.447 -2.231 -13.042 1.00 0.00 H new ATOM 0 HG13 VAL B 414 -9.289 -2.101 -14.810 1.00 0.00 H new ATOM 0 HG21 VAL B 414 -6.191 -2.244 -14.817 1.00 0.00 H new ATOM 0 HG22 VAL B 414 -7.102 -1.050 -15.772 1.00 0.00 H new ATOM 0 HG23 VAL B 414 -5.858 -0.507 -14.620 1.00 0.00 H new ATOM 428 N GLN B 415 -6.626 1.507 -12.559 1.00 0.00 N ATOM 429 CA GLN B 415 -5.619 2.548 -12.436 1.00 0.00 C ATOM 430 C GLN B 415 -4.350 1.985 -11.793 1.00 0.00 C ATOM 431 O GLN B 415 -4.394 1.452 -10.686 1.00 0.00 O ATOM 432 CB GLN B 415 -6.156 3.738 -11.639 1.00 0.00 C ATOM 433 CG GLN B 415 -5.055 4.770 -11.386 1.00 0.00 C ATOM 434 CD GLN B 415 -5.124 5.907 -12.407 1.00 0.00 C ATOM 435 OE1 GLN B 415 -6.157 6.518 -12.626 1.00 0.00 O ATOM 436 NE2 GLN B 415 -3.969 6.155 -13.019 1.00 0.00 N ATOM 0 H GLN B 415 -6.746 0.929 -11.727 1.00 0.00 H new ATOM 0 HA GLN B 415 -5.369 2.905 -13.435 1.00 0.00 H new ATOM 0 HB2 GLN B 415 -6.978 4.204 -12.183 1.00 0.00 H new ATOM 0 HB3 GLN B 415 -6.560 3.391 -10.688 1.00 0.00 H new ATOM 0 HG2 GLN B 415 -5.155 5.174 -10.379 1.00 0.00 H new ATOM 0 HG3 GLN B 415 -4.079 4.287 -11.440 1.00 0.00 H new ATOM 0 HE21 GLN B 415 -3.141 5.605 -12.788 1.00 0.00 H new ATOM 0 HE22 GLN B 415 -3.911 6.895 -13.719 1.00 0.00 H new ATOM 445 N ALA B 416 -3.248 2.124 -12.516 1.00 0.00 N ATOM 446 CA ALA B 416 -1.968 1.637 -12.030 1.00 0.00 C ATOM 447 C ALA B 416 -1.518 2.493 -10.845 1.00 0.00 C ATOM 448 O ALA B 416 -1.888 3.661 -10.742 1.00 0.00 O ATOM 449 CB ALA B 416 -0.952 1.644 -13.174 1.00 0.00 C ATOM 0 H ALA B 416 -3.215 2.567 -13.434 1.00 0.00 H new ATOM 0 HA ALA B 416 -2.056 0.609 -11.679 1.00 0.00 H new ATOM 0 HB1 ALA B 416 0.008 1.279 -12.810 1.00 0.00 H new ATOM 0 HB2 ALA B 416 -1.305 0.998 -13.978 1.00 0.00 H new ATOM 0 HB3 ALA B 416 -0.835 2.660 -13.550 1.00 0.00 H new ATOM 455 N GLN B 417 -0.724 1.878 -9.980 1.00 0.00 N ATOM 456 CA GLN B 417 -0.219 2.569 -8.806 1.00 0.00 C ATOM 457 C GLN B 417 1.310 2.519 -8.777 1.00 0.00 C ATOM 458 O GLN B 417 1.934 3.044 -7.857 1.00 0.00 O ATOM 459 CB GLN B 417 -0.811 1.978 -7.525 1.00 0.00 C ATOM 460 CG GLN B 417 -2.245 1.497 -7.754 1.00 0.00 C ATOM 461 CD GLN B 417 -2.937 1.180 -6.426 1.00 0.00 C ATOM 462 OE1 GLN B 417 -3.058 2.015 -5.545 1.00 0.00 O ATOM 463 NE2 GLN B 417 -3.382 -0.070 -6.333 1.00 0.00 N ATOM 0 H GLN B 417 -0.418 0.909 -10.069 1.00 0.00 H new ATOM 0 HA GLN B 417 -0.528 3.613 -8.862 1.00 0.00 H new ATOM 0 HB2 GLN B 417 -0.194 1.146 -7.186 1.00 0.00 H new ATOM 0 HB3 GLN B 417 -0.797 2.728 -6.734 1.00 0.00 H new ATOM 0 HG2 GLN B 417 -2.808 2.263 -8.288 1.00 0.00 H new ATOM 0 HG3 GLN B 417 -2.238 0.608 -8.385 1.00 0.00 H new ATOM 0 HE21 GLN B 417 -3.247 -0.718 -7.109 1.00 0.00 H new ATOM 0 HE22 GLN B 417 -3.858 -0.380 -5.486 1.00 0.00 H new ATOM 472 N HIS B 418 1.868 1.884 -9.797 1.00 0.00 N ATOM 473 CA HIS B 418 3.312 1.759 -9.900 1.00 0.00 C ATOM 474 C HIS B 418 3.728 1.816 -11.371 1.00 0.00 C ATOM 475 O HIS B 418 2.882 1.758 -12.262 1.00 0.00 O ATOM 476 CB HIS B 418 3.800 0.492 -9.195 1.00 0.00 C ATOM 477 CG HIS B 418 3.600 0.506 -7.698 1.00 0.00 C ATOM 478 ND1 HIS B 418 4.591 0.894 -6.814 1.00 0.00 N ATOM 479 CD2 HIS B 418 2.515 0.177 -6.941 1.00 0.00 C ATOM 480 CE1 HIS B 418 4.113 0.799 -5.582 1.00 0.00 C ATOM 481 NE2 HIS B 418 2.826 0.353 -5.663 1.00 0.00 N ATOM 0 H HIS B 418 1.347 1.451 -10.559 1.00 0.00 H new ATOM 0 HA HIS B 418 3.790 2.595 -9.390 1.00 0.00 H new ATOM 0 HB2 HIS B 418 3.277 -0.368 -9.613 1.00 0.00 H new ATOM 0 HB3 HIS B 418 4.860 0.355 -9.408 1.00 0.00 H new ATOM 0 HD2 HIS B 418 1.564 -0.168 -7.318 1.00 0.00 H new ATOM 0 HE1 HIS B 418 4.648 1.033 -4.673 1.00 0.00 H new ATOM 0 HE2 HIS B 418 2.205 0.183 -4.872 1.00 0.00 H new ATOM 489 N ASP B 419 5.031 1.930 -11.581 1.00 0.00 N ATOM 490 CA ASP B 419 5.570 1.995 -12.929 1.00 0.00 C ATOM 491 C ASP B 419 6.335 0.705 -13.231 1.00 0.00 C ATOM 492 O ASP B 419 7.451 0.514 -12.750 1.00 0.00 O ATOM 493 CB ASP B 419 6.541 3.168 -13.077 1.00 0.00 C ATOM 494 CG ASP B 419 7.068 3.396 -14.496 1.00 0.00 C ATOM 495 OD1 ASP B 419 6.283 3.153 -15.438 1.00 0.00 O ATOM 496 OD2 ASP B 419 8.243 3.808 -14.606 1.00 0.00 O ATOM 0 H ASP B 419 5.730 1.979 -10.840 1.00 0.00 H new ATOM 0 HA ASP B 419 4.737 2.127 -13.620 1.00 0.00 H new ATOM 0 HB2 ASP B 419 6.043 4.077 -12.740 1.00 0.00 H new ATOM 0 HB3 ASP B 419 7.389 3.004 -12.412 1.00 0.00 H new ATOM 501 N TYR B 420 5.705 -0.147 -14.026 1.00 0.00 N ATOM 502 CA TYR B 420 6.312 -1.413 -14.397 1.00 0.00 C ATOM 503 C TYR B 420 6.582 -1.472 -15.902 1.00 0.00 C ATOM 504 O TYR B 420 5.660 -1.662 -16.695 1.00 0.00 O ATOM 505 CB TYR B 420 5.292 -2.493 -14.031 1.00 0.00 C ATOM 506 CG TYR B 420 5.327 -3.718 -14.948 1.00 0.00 C ATOM 507 CD1 TYR B 420 6.426 -4.552 -14.944 1.00 0.00 C ATOM 508 CD2 TYR B 420 4.259 -3.988 -15.779 1.00 0.00 C ATOM 509 CE1 TYR B 420 6.459 -5.705 -15.807 1.00 0.00 C ATOM 510 CE2 TYR B 420 4.291 -5.141 -16.642 1.00 0.00 C ATOM 511 CZ TYR B 420 5.390 -5.942 -16.613 1.00 0.00 C ATOM 512 OH TYR B 420 5.420 -7.030 -17.428 1.00 0.00 O ATOM 0 H TYR B 420 4.780 0.015 -14.424 1.00 0.00 H new ATOM 0 HA TYR B 420 7.265 -1.547 -13.884 1.00 0.00 H new ATOM 0 HB2 TYR B 420 5.471 -2.815 -13.005 1.00 0.00 H new ATOM 0 HB3 TYR B 420 4.293 -2.059 -14.059 1.00 0.00 H new ATOM 0 HD1 TYR B 420 7.262 -4.340 -14.294 1.00 0.00 H new ATOM 0 HD2 TYR B 420 3.399 -3.335 -15.782 1.00 0.00 H new ATOM 0 HE1 TYR B 420 7.313 -6.366 -15.814 1.00 0.00 H new ATOM 0 HE2 TYR B 420 3.462 -5.364 -17.297 1.00 0.00 H new ATOM 0 HH TYR B 420 4.889 -7.751 -17.030 1.00 0.00 H new ATOM 522 N THR B 421 7.849 -1.305 -16.251 1.00 0.00 N ATOM 523 CA THR B 421 8.251 -1.338 -17.647 1.00 0.00 C ATOM 524 C THR B 421 8.263 -2.777 -18.165 1.00 0.00 C ATOM 525 O THR B 421 9.075 -3.592 -17.729 1.00 0.00 O ATOM 526 CB THR B 421 9.607 -0.639 -17.765 1.00 0.00 C ATOM 527 OG1 THR B 421 9.284 0.749 -17.762 1.00 0.00 O ATOM 528 CG2 THR B 421 10.267 -0.865 -19.127 1.00 0.00 C ATOM 0 H THR B 421 8.611 -1.146 -15.591 1.00 0.00 H new ATOM 0 HA THR B 421 7.538 -0.805 -18.276 1.00 0.00 H new ATOM 0 HB THR B 421 10.269 -0.998 -16.977 1.00 0.00 H new ATOM 0 HG1 THR B 421 10.107 1.276 -17.834 1.00 0.00 H new ATOM 0 HG21 THR B 421 11.226 -0.348 -19.157 1.00 0.00 H new ATOM 0 HG22 THR B 421 10.426 -1.932 -19.282 1.00 0.00 H new ATOM 0 HG23 THR B 421 9.620 -0.476 -19.914 1.00 0.00 H new ATOM 536 N ALA B 422 7.353 -3.047 -19.089 1.00 0.00 N ATOM 537 CA ALA B 422 7.248 -4.374 -19.672 1.00 0.00 C ATOM 538 C ALA B 422 7.635 -4.309 -21.151 1.00 0.00 C ATOM 539 O ALA B 422 6.996 -3.607 -21.933 1.00 0.00 O ATOM 540 CB ALA B 422 5.831 -4.913 -19.463 1.00 0.00 C ATOM 0 H ALA B 422 6.681 -2.369 -19.449 1.00 0.00 H new ATOM 0 HA ALA B 422 7.935 -5.064 -19.182 1.00 0.00 H new ATOM 0 HB1 ALA B 422 5.752 -5.908 -19.900 1.00 0.00 H new ATOM 0 HB2 ALA B 422 5.616 -4.967 -18.396 1.00 0.00 H new ATOM 0 HB3 ALA B 422 5.114 -4.248 -19.944 1.00 0.00 H new ATOM 546 N THR B 423 8.679 -5.052 -21.489 1.00 0.00 N ATOM 547 CA THR B 423 9.159 -5.087 -22.860 1.00 0.00 C ATOM 548 C THR B 423 9.051 -6.504 -23.427 1.00 0.00 C ATOM 549 O THR B 423 9.957 -7.317 -23.250 1.00 0.00 O ATOM 550 CB THR B 423 10.585 -4.533 -22.876 1.00 0.00 C ATOM 551 OG1 THR B 423 11.252 -5.263 -21.851 1.00 0.00 O ATOM 552 CG2 THR B 423 10.654 -3.079 -22.404 1.00 0.00 C ATOM 0 H THR B 423 9.205 -5.634 -20.837 1.00 0.00 H new ATOM 0 HA THR B 423 8.545 -4.463 -23.510 1.00 0.00 H new ATOM 0 HB THR B 423 10.992 -4.606 -23.885 1.00 0.00 H new ATOM 0 HG1 THR B 423 11.190 -6.223 -22.040 1.00 0.00 H new ATOM 0 HG21 THR B 423 11.688 -2.735 -22.435 1.00 0.00 H new ATOM 0 HG22 THR B 423 10.044 -2.455 -23.058 1.00 0.00 H new ATOM 0 HG23 THR B 423 10.279 -3.010 -21.383 1.00 0.00 H new ATOM 560 N ASP B 424 7.936 -6.756 -24.097 1.00 0.00 N ATOM 561 CA ASP B 424 7.698 -8.061 -24.690 1.00 0.00 C ATOM 562 C ASP B 424 6.964 -7.885 -26.021 1.00 0.00 C ATOM 563 O ASP B 424 6.766 -6.762 -26.481 1.00 0.00 O ATOM 564 CB ASP B 424 6.825 -8.928 -23.780 1.00 0.00 C ATOM 565 CG ASP B 424 7.203 -10.410 -23.743 1.00 0.00 C ATOM 566 OD1 ASP B 424 8.356 -10.692 -23.353 1.00 0.00 O ATOM 567 OD2 ASP B 424 6.329 -11.227 -24.106 1.00 0.00 O ATOM 0 H ASP B 424 7.187 -6.079 -24.242 1.00 0.00 H new ATOM 0 HA ASP B 424 8.663 -8.547 -24.835 1.00 0.00 H new ATOM 0 HB2 ASP B 424 6.876 -8.530 -22.766 1.00 0.00 H new ATOM 0 HB3 ASP B 424 5.788 -8.841 -24.105 1.00 0.00 H new ATOM 572 N THR B 425 6.582 -9.012 -26.602 1.00 0.00 N ATOM 573 CA THR B 425 5.874 -8.997 -27.871 1.00 0.00 C ATOM 574 C THR B 425 4.363 -9.066 -27.641 1.00 0.00 C ATOM 575 O THR B 425 3.587 -9.089 -28.594 1.00 0.00 O ATOM 576 CB THR B 425 6.412 -10.147 -28.726 1.00 0.00 C ATOM 577 OG1 THR B 425 5.916 -9.869 -30.033 1.00 0.00 O ATOM 578 CG2 THR B 425 5.777 -11.491 -28.365 1.00 0.00 C ATOM 0 H THR B 425 6.749 -9.942 -26.218 1.00 0.00 H new ATOM 0 HA THR B 425 6.046 -8.064 -28.408 1.00 0.00 H new ATOM 0 HB THR B 425 7.494 -10.213 -28.607 1.00 0.00 H new ATOM 0 HG1 THR B 425 5.017 -9.484 -29.967 1.00 0.00 H new ATOM 0 HG21 THR B 425 6.193 -12.273 -29.001 1.00 0.00 H new ATOM 0 HG22 THR B 425 5.986 -11.723 -27.321 1.00 0.00 H new ATOM 0 HG23 THR B 425 4.699 -11.436 -28.516 1.00 0.00 H new ATOM 586 N ASP B 426 3.992 -9.097 -26.369 1.00 0.00 N ATOM 587 CA ASP B 426 2.588 -9.164 -26.001 1.00 0.00 C ATOM 588 C ASP B 426 2.437 -8.819 -24.518 1.00 0.00 C ATOM 589 O ASP B 426 1.842 -9.580 -23.757 1.00 0.00 O ATOM 590 CB ASP B 426 2.029 -10.572 -26.218 1.00 0.00 C ATOM 591 CG ASP B 426 0.552 -10.627 -26.613 1.00 0.00 C ATOM 592 OD1 ASP B 426 -0.284 -10.634 -25.683 1.00 0.00 O ATOM 593 OD2 ASP B 426 0.292 -10.661 -27.835 1.00 0.00 O ATOM 0 H ASP B 426 4.639 -9.077 -25.581 1.00 0.00 H new ATOM 0 HA ASP B 426 2.041 -8.458 -26.626 1.00 0.00 H new ATOM 0 HB2 ASP B 426 2.616 -11.064 -26.994 1.00 0.00 H new ATOM 0 HB3 ASP B 426 2.166 -11.146 -25.302 1.00 0.00 H new ATOM 598 N GLU B 427 2.986 -7.670 -24.152 1.00 0.00 N ATOM 599 CA GLU B 427 2.920 -7.214 -22.774 1.00 0.00 C ATOM 600 C GLU B 427 2.166 -5.885 -22.691 1.00 0.00 C ATOM 601 O GLU B 427 1.805 -5.307 -23.714 1.00 0.00 O ATOM 602 CB GLU B 427 4.320 -7.089 -22.170 1.00 0.00 C ATOM 603 CG GLU B 427 4.883 -5.682 -22.377 1.00 0.00 C ATOM 604 CD GLU B 427 5.040 -5.368 -23.867 1.00 0.00 C ATOM 605 OE1 GLU B 427 4.023 -5.492 -24.583 1.00 0.00 O ATOM 606 OE2 GLU B 427 6.173 -5.012 -24.255 1.00 0.00 O ATOM 0 H GLU B 427 3.479 -7.041 -24.786 1.00 0.00 H new ATOM 0 HA GLU B 427 2.374 -7.956 -22.192 1.00 0.00 H new ATOM 0 HB2 GLU B 427 4.282 -7.316 -21.105 1.00 0.00 H new ATOM 0 HB3 GLU B 427 4.984 -7.821 -22.628 1.00 0.00 H new ATOM 0 HG2 GLU B 427 4.221 -4.950 -21.915 1.00 0.00 H new ATOM 0 HG3 GLU B 427 5.849 -5.596 -21.880 1.00 0.00 H new ATOM 613 N LEU B 428 1.950 -5.440 -21.461 1.00 0.00 N ATOM 614 CA LEU B 428 1.246 -4.190 -21.231 1.00 0.00 C ATOM 615 C LEU B 428 2.056 -3.324 -20.265 1.00 0.00 C ATOM 616 O LEU B 428 2.213 -3.671 -19.096 1.00 0.00 O ATOM 617 CB LEU B 428 -0.185 -4.461 -20.761 1.00 0.00 C ATOM 618 CG LEU B 428 -1.230 -3.417 -21.160 1.00 0.00 C ATOM 619 CD1 LEU B 428 -1.556 -3.510 -22.652 1.00 0.00 C ATOM 620 CD2 LEU B 428 -2.484 -3.537 -20.291 1.00 0.00 C ATOM 0 H LEU B 428 2.250 -5.923 -20.614 1.00 0.00 H new ATOM 0 HA LEU B 428 1.152 -3.629 -22.161 1.00 0.00 H new ATOM 0 HB2 LEU B 428 -0.498 -5.428 -21.153 1.00 0.00 H new ATOM 0 HB3 LEU B 428 -0.180 -4.544 -19.674 1.00 0.00 H new ATOM 0 HG LEU B 428 -0.809 -2.427 -20.983 1.00 0.00 H new ATOM 0 HD11 LEU B 428 -2.301 -2.757 -22.909 1.00 0.00 H new ATOM 0 HD12 LEU B 428 -0.650 -3.338 -23.234 1.00 0.00 H new ATOM 0 HD13 LEU B 428 -1.949 -4.501 -22.877 1.00 0.00 H new ATOM 0 HD21 LEU B 428 -3.211 -2.784 -20.595 1.00 0.00 H new ATOM 0 HD22 LEU B 428 -2.918 -4.530 -20.413 1.00 0.00 H new ATOM 0 HD23 LEU B 428 -2.218 -3.383 -19.245 1.00 0.00 H new ATOM 632 N GLN B 429 2.550 -2.212 -20.790 1.00 0.00 N ATOM 633 CA GLN B 429 3.340 -1.292 -19.989 1.00 0.00 C ATOM 634 C GLN B 429 2.427 -0.443 -19.102 1.00 0.00 C ATOM 635 O GLN B 429 1.381 0.025 -19.549 1.00 0.00 O ATOM 636 CB GLN B 429 4.219 -0.408 -20.876 1.00 0.00 C ATOM 637 CG GLN B 429 5.412 0.141 -20.091 1.00 0.00 C ATOM 638 CD GLN B 429 6.591 0.435 -21.020 1.00 0.00 C ATOM 639 OE1 GLN B 429 6.961 1.573 -21.256 1.00 0.00 O ATOM 640 NE2 GLN B 429 7.159 -0.653 -21.534 1.00 0.00 N ATOM 0 H GLN B 429 2.418 -1.927 -21.761 1.00 0.00 H new ATOM 0 HA GLN B 429 4.000 -1.875 -19.346 1.00 0.00 H new ATOM 0 HB2 GLN B 429 4.575 -0.984 -21.730 1.00 0.00 H new ATOM 0 HB3 GLN B 429 3.628 0.418 -21.272 1.00 0.00 H new ATOM 0 HG2 GLN B 429 5.120 1.052 -19.569 1.00 0.00 H new ATOM 0 HG3 GLN B 429 5.714 -0.579 -19.331 1.00 0.00 H new ATOM 0 HE21 GLN B 429 6.800 -1.577 -21.295 1.00 0.00 H new ATOM 0 HE22 GLN B 429 7.954 -0.563 -22.167 1.00 0.00 H new ATOM 649 N LEU B 430 2.855 -0.271 -17.860 1.00 0.00 N ATOM 650 CA LEU B 430 2.090 0.513 -16.906 1.00 0.00 C ATOM 651 C LEU B 430 3.009 1.540 -16.242 1.00 0.00 C ATOM 652 O LEU B 430 4.191 1.274 -16.028 1.00 0.00 O ATOM 653 CB LEU B 430 1.372 -0.403 -15.912 1.00 0.00 C ATOM 654 CG LEU B 430 0.032 -0.976 -16.376 1.00 0.00 C ATOM 655 CD1 LEU B 430 -0.972 0.142 -16.664 1.00 0.00 C ATOM 656 CD2 LEU B 430 0.218 -1.903 -17.578 1.00 0.00 C ATOM 0 H LEU B 430 3.723 -0.662 -17.492 1.00 0.00 H new ATOM 0 HA LEU B 430 1.304 1.070 -17.416 1.00 0.00 H new ATOM 0 HB2 LEU B 430 2.035 -1.233 -15.669 1.00 0.00 H new ATOM 0 HB3 LEU B 430 1.207 0.153 -14.989 1.00 0.00 H new ATOM 0 HG LEU B 430 -0.380 -1.578 -15.566 1.00 0.00 H new ATOM 0 HD11 LEU B 430 -1.916 -0.293 -16.992 1.00 0.00 H new ATOM 0 HD12 LEU B 430 -1.136 0.726 -15.758 1.00 0.00 H new ATOM 0 HD13 LEU B 430 -0.580 0.791 -17.447 1.00 0.00 H new ATOM 0 HD21 LEU B 430 -0.750 -2.296 -17.887 1.00 0.00 H new ATOM 0 HD22 LEU B 430 0.663 -1.345 -18.402 1.00 0.00 H new ATOM 0 HD23 LEU B 430 0.874 -2.729 -17.303 1.00 0.00 H new ATOM 668 N LYS B 431 2.432 2.693 -15.936 1.00 0.00 N ATOM 669 CA LYS B 431 3.185 3.761 -15.300 1.00 0.00 C ATOM 670 C LYS B 431 2.429 4.243 -14.060 1.00 0.00 C ATOM 671 O LYS B 431 1.235 4.529 -14.128 1.00 0.00 O ATOM 672 CB LYS B 431 3.490 4.873 -16.305 1.00 0.00 C ATOM 673 CG LYS B 431 2.204 5.563 -16.767 1.00 0.00 C ATOM 674 CD LYS B 431 1.621 4.866 -17.998 1.00 0.00 C ATOM 675 CE LYS B 431 2.514 5.076 -19.222 1.00 0.00 C ATOM 676 NZ LYS B 431 1.977 6.157 -20.078 1.00 0.00 N ATOM 0 H LYS B 431 1.452 2.911 -16.117 1.00 0.00 H new ATOM 0 HA LYS B 431 4.154 3.395 -14.961 1.00 0.00 H new ATOM 0 HB2 LYS B 431 4.157 5.606 -15.851 1.00 0.00 H new ATOM 0 HB3 LYS B 431 4.013 4.457 -17.166 1.00 0.00 H new ATOM 0 HG2 LYS B 431 1.472 5.555 -15.959 1.00 0.00 H new ATOM 0 HG3 LYS B 431 2.411 6.608 -17.000 1.00 0.00 H new ATOM 0 HD2 LYS B 431 1.515 3.799 -17.800 1.00 0.00 H new ATOM 0 HD3 LYS B 431 0.623 5.254 -18.201 1.00 0.00 H new ATOM 0 HE2 LYS B 431 3.526 5.326 -18.902 1.00 0.00 H new ATOM 0 HE3 LYS B 431 2.580 4.150 -19.794 1.00 0.00 H new ATOM 0 HZ1 LYS B 431 2.596 6.286 -20.904 1.00 0.00 H new ATOM 0 HZ2 LYS B 431 1.021 5.904 -20.398 1.00 0.00 H new ATOM 0 HZ3 LYS B 431 1.937 7.043 -19.534 1.00 0.00 H new ATOM 690 N ALA B 432 3.157 4.319 -12.955 1.00 0.00 N ATOM 691 CA ALA B 432 2.570 4.761 -11.702 1.00 0.00 C ATOM 692 C ALA B 432 1.568 5.883 -11.981 1.00 0.00 C ATOM 693 O ALA B 432 1.951 7.046 -12.104 1.00 0.00 O ATOM 694 CB ALA B 432 3.681 5.197 -10.744 1.00 0.00 C ATOM 0 H ALA B 432 4.148 4.082 -12.902 1.00 0.00 H new ATOM 0 HA ALA B 432 2.027 3.946 -11.224 1.00 0.00 H new ATOM 0 HB1 ALA B 432 3.241 5.529 -9.804 1.00 0.00 H new ATOM 0 HB2 ALA B 432 4.349 4.357 -10.555 1.00 0.00 H new ATOM 0 HB3 ALA B 432 4.245 6.016 -11.190 1.00 0.00 H new ATOM 700 N GLY B 433 0.305 5.496 -12.072 1.00 0.00 N ATOM 701 CA GLY B 433 -0.755 6.454 -12.333 1.00 0.00 C ATOM 702 C GLY B 433 -1.211 6.384 -13.792 1.00 0.00 C ATOM 703 O GLY B 433 -1.369 7.413 -14.447 1.00 0.00 O ATOM 0 H GLY B 433 -0.009 4.531 -11.970 1.00 0.00 H new ATOM 0 HA2 GLY B 433 -1.600 6.255 -11.674 1.00 0.00 H new ATOM 0 HA3 GLY B 433 -0.404 7.461 -12.106 1.00 0.00 H new ATOM 707 N ASP B 434 -1.409 5.160 -14.259 1.00 0.00 N ATOM 708 CA ASP B 434 -1.842 4.942 -15.629 1.00 0.00 C ATOM 709 C ASP B 434 -3.284 4.430 -15.628 1.00 0.00 C ATOM 710 O ASP B 434 -3.826 4.093 -14.577 1.00 0.00 O ATOM 711 CB ASP B 434 -0.969 3.894 -16.322 1.00 0.00 C ATOM 712 CG ASP B 434 -1.317 3.631 -17.788 1.00 0.00 C ATOM 713 OD1 ASP B 434 -1.459 4.629 -18.526 1.00 0.00 O ATOM 714 OD2 ASP B 434 -1.433 2.436 -18.138 1.00 0.00 O ATOM 0 H ASP B 434 -1.278 4.309 -13.713 1.00 0.00 H new ATOM 0 HA ASP B 434 -1.762 5.889 -16.163 1.00 0.00 H new ATOM 0 HB2 ASP B 434 0.072 4.213 -16.263 1.00 0.00 H new ATOM 0 HB3 ASP B 434 -1.047 2.956 -15.772 1.00 0.00 H new ATOM 719 N VAL B 435 -3.864 4.388 -16.819 1.00 0.00 N ATOM 720 CA VAL B 435 -5.232 3.923 -16.969 1.00 0.00 C ATOM 721 C VAL B 435 -5.247 2.667 -17.842 1.00 0.00 C ATOM 722 O VAL B 435 -4.688 2.663 -18.938 1.00 0.00 O ATOM 723 CB VAL B 435 -6.109 5.048 -17.524 1.00 0.00 C ATOM 724 CG1 VAL B 435 -6.620 5.951 -16.399 1.00 0.00 C ATOM 725 CG2 VAL B 435 -5.356 5.860 -18.580 1.00 0.00 C ATOM 0 H VAL B 435 -3.411 4.668 -17.689 1.00 0.00 H new ATOM 0 HA VAL B 435 -5.651 3.650 -16.000 1.00 0.00 H new ATOM 0 HB VAL B 435 -6.974 4.592 -18.006 1.00 0.00 H new ATOM 0 HG11 VAL B 435 -7.240 6.742 -16.821 1.00 0.00 H new ATOM 0 HG12 VAL B 435 -7.211 5.361 -15.699 1.00 0.00 H new ATOM 0 HG13 VAL B 435 -5.773 6.394 -15.875 1.00 0.00 H new ATOM 0 HG21 VAL B 435 -6.002 6.653 -18.958 1.00 0.00 H new ATOM 0 HG22 VAL B 435 -4.465 6.300 -18.133 1.00 0.00 H new ATOM 0 HG23 VAL B 435 -5.065 5.206 -19.402 1.00 0.00 H new ATOM 735 N VAL B 436 -5.891 1.632 -17.324 1.00 0.00 N ATOM 736 CA VAL B 436 -5.987 0.374 -18.044 1.00 0.00 C ATOM 737 C VAL B 436 -7.408 -0.178 -17.911 1.00 0.00 C ATOM 738 O VAL B 436 -8.047 -0.014 -16.873 1.00 0.00 O ATOM 739 CB VAL B 436 -4.918 -0.599 -17.541 1.00 0.00 C ATOM 740 CG1 VAL B 436 -5.227 -2.030 -17.985 1.00 0.00 C ATOM 741 CG2 VAL B 436 -3.525 -0.170 -18.003 1.00 0.00 C ATOM 0 H VAL B 436 -6.352 1.639 -16.414 1.00 0.00 H new ATOM 0 HA VAL B 436 -5.796 0.526 -19.106 1.00 0.00 H new ATOM 0 HB VAL B 436 -4.931 -0.576 -16.451 1.00 0.00 H new ATOM 0 HG11 VAL B 436 -4.452 -2.701 -17.615 1.00 0.00 H new ATOM 0 HG12 VAL B 436 -6.193 -2.335 -17.584 1.00 0.00 H new ATOM 0 HG13 VAL B 436 -5.256 -2.075 -19.074 1.00 0.00 H new ATOM 0 HG21 VAL B 436 -2.784 -0.878 -17.632 1.00 0.00 H new ATOM 0 HG22 VAL B 436 -3.493 -0.149 -19.092 1.00 0.00 H new ATOM 0 HG23 VAL B 436 -3.303 0.824 -17.615 1.00 0.00 H new ATOM 751 N LEU B 437 -7.861 -0.820 -18.978 1.00 0.00 N ATOM 752 CA LEU B 437 -9.195 -1.396 -18.994 1.00 0.00 C ATOM 753 C LEU B 437 -9.088 -2.921 -18.917 1.00 0.00 C ATOM 754 O LEU B 437 -8.294 -3.528 -19.634 1.00 0.00 O ATOM 755 CB LEU B 437 -9.980 -0.896 -20.208 1.00 0.00 C ATOM 756 CG LEU B 437 -9.238 0.071 -21.134 1.00 0.00 C ATOM 757 CD1 LEU B 437 -10.040 0.331 -22.411 1.00 0.00 C ATOM 758 CD2 LEU B 437 -8.887 1.369 -20.404 1.00 0.00 C ATOM 0 H LEU B 437 -7.328 -0.954 -19.837 1.00 0.00 H new ATOM 0 HA LEU B 437 -9.761 -1.071 -18.121 1.00 0.00 H new ATOM 0 HB2 LEU B 437 -10.294 -1.760 -20.794 1.00 0.00 H new ATOM 0 HB3 LEU B 437 -10.886 -0.405 -19.853 1.00 0.00 H new ATOM 0 HG LEU B 437 -8.299 -0.395 -21.432 1.00 0.00 H new ATOM 0 HD11 LEU B 437 -9.491 1.021 -23.051 1.00 0.00 H new ATOM 0 HD12 LEU B 437 -10.196 -0.609 -22.940 1.00 0.00 H new ATOM 0 HD13 LEU B 437 -11.005 0.766 -22.152 1.00 0.00 H new ATOM 0 HD21 LEU B 437 -8.361 2.038 -21.084 1.00 0.00 H new ATOM 0 HD22 LEU B 437 -9.802 1.850 -20.057 1.00 0.00 H new ATOM 0 HD23 LEU B 437 -8.249 1.145 -19.550 1.00 0.00 H new ATOM 770 N VAL B 438 -9.899 -3.495 -18.041 1.00 0.00 N ATOM 771 CA VAL B 438 -9.907 -4.937 -17.861 1.00 0.00 C ATOM 772 C VAL B 438 -10.846 -5.570 -18.889 1.00 0.00 C ATOM 773 O VAL B 438 -12.054 -5.341 -18.856 1.00 0.00 O ATOM 774 CB VAL B 438 -10.280 -5.282 -16.418 1.00 0.00 C ATOM 775 CG1 VAL B 438 -10.796 -6.719 -16.314 1.00 0.00 C ATOM 776 CG2 VAL B 438 -9.096 -5.055 -15.476 1.00 0.00 C ATOM 0 H VAL B 438 -10.556 -2.988 -17.448 1.00 0.00 H new ATOM 0 HA VAL B 438 -8.913 -5.349 -18.033 1.00 0.00 H new ATOM 0 HB VAL B 438 -11.085 -4.614 -16.111 1.00 0.00 H new ATOM 0 HG11 VAL B 438 -11.054 -6.939 -15.278 1.00 0.00 H new ATOM 0 HG12 VAL B 438 -11.680 -6.834 -16.941 1.00 0.00 H new ATOM 0 HG13 VAL B 438 -10.021 -7.409 -16.649 1.00 0.00 H new ATOM 0 HG21 VAL B 438 -9.388 -5.308 -14.457 1.00 0.00 H new ATOM 0 HG22 VAL B 438 -8.262 -5.686 -15.781 1.00 0.00 H new ATOM 0 HG23 VAL B 438 -8.793 -4.009 -15.518 1.00 0.00 H new ATOM 786 N ILE B 439 -10.255 -6.354 -19.779 1.00 0.00 N ATOM 787 CA ILE B 439 -11.024 -7.022 -20.816 1.00 0.00 C ATOM 788 C ILE B 439 -10.847 -8.535 -20.680 1.00 0.00 C ATOM 789 O ILE B 439 -9.826 -9.002 -20.178 1.00 0.00 O ATOM 790 CB ILE B 439 -10.647 -6.480 -22.196 1.00 0.00 C ATOM 791 CG1 ILE B 439 -9.225 -6.894 -22.578 1.00 0.00 C ATOM 792 CG2 ILE B 439 -10.839 -4.963 -22.261 1.00 0.00 C ATOM 793 CD1 ILE B 439 -8.223 -5.786 -22.248 1.00 0.00 C ATOM 0 H ILE B 439 -9.253 -6.542 -19.804 1.00 0.00 H new ATOM 0 HA ILE B 439 -12.087 -6.813 -20.697 1.00 0.00 H new ATOM 0 HB ILE B 439 -11.320 -6.922 -22.931 1.00 0.00 H new ATOM 0 HG12 ILE B 439 -8.953 -7.806 -22.046 1.00 0.00 H new ATOM 0 HG13 ILE B 439 -9.183 -7.122 -23.643 1.00 0.00 H new ATOM 0 HG21 ILE B 439 -10.564 -4.604 -23.253 1.00 0.00 H new ATOM 0 HG22 ILE B 439 -11.883 -4.720 -22.064 1.00 0.00 H new ATOM 0 HG23 ILE B 439 -10.207 -4.484 -21.513 1.00 0.00 H new ATOM 0 HD11 ILE B 439 -7.220 -6.107 -22.530 1.00 0.00 H new ATOM 0 HD12 ILE B 439 -8.484 -4.883 -22.800 1.00 0.00 H new ATOM 0 HD13 ILE B 439 -8.250 -5.578 -21.178 1.00 0.00 H new ATOM 805 N PRO B 440 -11.885 -9.279 -21.149 1.00 0.00 N ATOM 806 CA PRO B 440 -11.854 -10.731 -21.085 1.00 0.00 C ATOM 807 C PRO B 440 -10.915 -11.306 -22.147 1.00 0.00 C ATOM 808 O PRO B 440 -11.147 -11.136 -23.343 1.00 0.00 O ATOM 809 CB PRO B 440 -13.299 -11.163 -21.272 1.00 0.00 C ATOM 810 CG PRO B 440 -14.013 -9.975 -21.894 1.00 0.00 C ATOM 811 CD PRO B 440 -13.110 -8.761 -21.750 1.00 0.00 C ATOM 0 HA PRO B 440 -11.460 -11.103 -20.139 1.00 0.00 H new ATOM 0 HB2 PRO B 440 -13.364 -12.039 -21.917 1.00 0.00 H new ATOM 0 HB3 PRO B 440 -13.752 -11.435 -20.318 1.00 0.00 H new ATOM 0 HG2 PRO B 440 -14.230 -10.167 -22.945 1.00 0.00 H new ATOM 0 HG3 PRO B 440 -14.968 -9.801 -21.398 1.00 0.00 H new ATOM 0 HD2 PRO B 440 -12.912 -8.298 -22.717 1.00 0.00 H new ATOM 0 HD3 PRO B 440 -13.569 -7.999 -21.120 1.00 0.00 H new ATOM 819 N PHE B 441 -9.876 -11.977 -21.672 1.00 0.00 N ATOM 820 CA PHE B 441 -8.901 -12.578 -22.566 1.00 0.00 C ATOM 821 C PHE B 441 -9.562 -13.606 -23.487 1.00 0.00 C ATOM 822 O PHE B 441 -10.780 -13.776 -23.460 1.00 0.00 O ATOM 823 CB PHE B 441 -7.867 -13.287 -21.689 1.00 0.00 C ATOM 824 CG PHE B 441 -8.459 -13.955 -20.446 1.00 0.00 C ATOM 825 CD1 PHE B 441 -9.727 -14.446 -20.476 1.00 0.00 C ATOM 826 CD2 PHE B 441 -7.717 -14.057 -19.311 1.00 0.00 C ATOM 827 CE1 PHE B 441 -10.276 -15.065 -19.323 1.00 0.00 C ATOM 828 CE2 PHE B 441 -8.266 -14.677 -18.157 1.00 0.00 C ATOM 829 CZ PHE B 441 -9.534 -15.168 -18.188 1.00 0.00 C ATOM 0 H PHE B 441 -9.688 -12.118 -20.679 1.00 0.00 H new ATOM 0 HA PHE B 441 -8.446 -11.810 -23.191 1.00 0.00 H new ATOM 0 HB2 PHE B 441 -7.356 -14.042 -22.286 1.00 0.00 H new ATOM 0 HB3 PHE B 441 -7.114 -12.564 -21.376 1.00 0.00 H new ATOM 0 HD1 PHE B 441 -10.316 -14.365 -21.377 1.00 0.00 H new ATOM 0 HD2 PHE B 441 -6.710 -13.667 -19.287 1.00 0.00 H new ATOM 0 HE1 PHE B 441 -11.283 -15.454 -19.347 1.00 0.00 H new ATOM 0 HE2 PHE B 441 -7.677 -14.758 -17.255 1.00 0.00 H new ATOM 0 HZ PHE B 441 -9.952 -15.640 -17.311 1.00 0.00 H new ATOM 931 N ASP B 448 -2.079 -15.167 -16.788 1.00 0.00 N ATOM 932 CA ASP B 448 -0.937 -15.412 -15.923 1.00 0.00 C ATOM 933 C ASP B 448 -1.347 -15.185 -14.467 1.00 0.00 C ATOM 934 O ASP B 448 -2.256 -14.404 -14.189 1.00 0.00 O ATOM 935 CB ASP B 448 0.213 -14.456 -16.245 1.00 0.00 C ATOM 936 CG ASP B 448 1.369 -14.474 -15.242 1.00 0.00 C ATOM 937 OD1 ASP B 448 1.864 -15.588 -14.967 1.00 0.00 O ATOM 938 OD2 ASP B 448 1.731 -13.373 -14.774 1.00 0.00 O ATOM 0 HA ASP B 448 -0.608 -16.439 -16.082 1.00 0.00 H new ATOM 0 HB2 ASP B 448 0.604 -14.702 -17.232 1.00 0.00 H new ATOM 0 HB3 ASP B 448 -0.183 -13.442 -16.302 1.00 0.00 H new ATOM 943 N GLU B 449 -0.658 -15.883 -13.576 1.00 0.00 N ATOM 944 CA GLU B 449 -0.940 -15.767 -12.155 1.00 0.00 C ATOM 945 C GLU B 449 -0.435 -14.425 -11.622 1.00 0.00 C ATOM 946 O GLU B 449 0.770 -14.177 -11.595 1.00 0.00 O ATOM 947 CB GLU B 449 -0.325 -16.932 -11.378 1.00 0.00 C ATOM 948 CG GLU B 449 -1.395 -17.692 -10.591 1.00 0.00 C ATOM 949 CD GLU B 449 -2.129 -18.691 -11.488 1.00 0.00 C ATOM 950 OE1 GLU B 449 -2.958 -18.223 -12.298 1.00 0.00 O ATOM 951 OE2 GLU B 449 -1.844 -19.899 -11.344 1.00 0.00 O ATOM 0 H GLU B 449 0.094 -16.531 -13.810 1.00 0.00 H new ATOM 0 HA GLU B 449 -2.020 -15.809 -12.014 1.00 0.00 H new ATOM 0 HB2 GLU B 449 0.174 -17.611 -12.069 1.00 0.00 H new ATOM 0 HB3 GLU B 449 0.436 -16.556 -10.694 1.00 0.00 H new ATOM 0 HG2 GLU B 449 -0.932 -18.219 -9.756 1.00 0.00 H new ATOM 0 HG3 GLU B 449 -2.109 -16.986 -10.166 1.00 0.00 H new ATOM 958 N GLY B 450 -1.381 -13.594 -11.210 1.00 0.00 N ATOM 959 CA GLY B 450 -1.047 -12.284 -10.678 1.00 0.00 C ATOM 960 C GLY B 450 -1.169 -11.207 -11.758 1.00 0.00 C ATOM 961 O GLY B 450 -1.002 -10.021 -11.478 1.00 0.00 O ATOM 0 H GLY B 450 -2.379 -13.803 -11.234 1.00 0.00 H new ATOM 0 HA2 GLY B 450 -1.709 -12.046 -9.845 1.00 0.00 H new ATOM 0 HA3 GLY B 450 -0.031 -12.296 -10.284 1.00 0.00 H new ATOM 965 N TRP B 451 -1.458 -11.659 -12.969 1.00 0.00 N ATOM 966 CA TRP B 451 -1.604 -10.748 -14.093 1.00 0.00 C ATOM 967 C TRP B 451 -2.842 -11.170 -14.885 1.00 0.00 C ATOM 968 O TRP B 451 -3.288 -12.313 -14.786 1.00 0.00 O ATOM 969 CB TRP B 451 -0.332 -10.718 -14.942 1.00 0.00 C ATOM 970 CG TRP B 451 0.962 -10.702 -14.126 1.00 0.00 C ATOM 971 CD1 TRP B 451 1.313 -11.516 -13.121 1.00 0.00 C ATOM 972 CD2 TRP B 451 2.069 -9.791 -14.287 1.00 0.00 C ATOM 973 NE1 TRP B 451 2.561 -11.197 -12.624 1.00 0.00 N ATOM 974 CE2 TRP B 451 3.035 -10.115 -13.356 1.00 0.00 C ATOM 975 CE3 TRP B 451 2.249 -8.728 -15.189 1.00 0.00 C ATOM 976 CZ2 TRP B 451 4.248 -9.425 -13.237 1.00 0.00 C ATOM 977 CZ3 TRP B 451 3.466 -8.049 -15.058 1.00 0.00 C ATOM 978 CH2 TRP B 451 4.448 -8.362 -14.126 1.00 0.00 C ATOM 0 H TRP B 451 -1.595 -12.644 -13.197 1.00 0.00 H new ATOM 0 HA TRP B 451 -1.746 -9.725 -13.745 1.00 0.00 H new ATOM 0 HB2 TRP B 451 -0.325 -11.589 -15.598 1.00 0.00 H new ATOM 0 HB3 TRP B 451 -0.356 -9.837 -15.583 1.00 0.00 H new ATOM 0 HD1 TRP B 451 0.697 -12.320 -12.747 1.00 0.00 H new ATOM 0 HE1 TRP B 451 3.046 -11.669 -11.860 1.00 0.00 H new ATOM 0 HE3 TRP B 451 1.507 -8.457 -15.925 1.00 0.00 H new ATOM 0 HZ2 TRP B 451 4.989 -9.698 -12.500 1.00 0.00 H new ATOM 0 HZ3 TRP B 451 3.655 -7.224 -15.729 1.00 0.00 H new ATOM 0 HH2 TRP B 451 5.362 -7.788 -14.088 1.00 0.00 H new ATOM 989 N LEU B 452 -3.364 -10.225 -15.654 1.00 0.00 N ATOM 990 CA LEU B 452 -4.542 -10.485 -16.464 1.00 0.00 C ATOM 991 C LEU B 452 -4.433 -9.708 -17.778 1.00 0.00 C ATOM 992 O LEU B 452 -3.529 -8.892 -17.948 1.00 0.00 O ATOM 993 CB LEU B 452 -5.815 -10.180 -15.672 1.00 0.00 C ATOM 994 CG LEU B 452 -5.630 -9.355 -14.397 1.00 0.00 C ATOM 995 CD1 LEU B 452 -6.963 -8.777 -13.920 1.00 0.00 C ATOM 996 CD2 LEU B 452 -4.939 -10.178 -13.307 1.00 0.00 C ATOM 0 H LEU B 452 -2.993 -9.278 -15.733 1.00 0.00 H new ATOM 0 HA LEU B 452 -4.602 -11.542 -16.722 1.00 0.00 H new ATOM 0 HB2 LEU B 452 -6.508 -9.651 -16.326 1.00 0.00 H new ATOM 0 HB3 LEU B 452 -6.288 -11.125 -15.404 1.00 0.00 H new ATOM 0 HG LEU B 452 -4.978 -8.512 -14.627 1.00 0.00 H new ATOM 0 HD11 LEU B 452 -6.803 -8.195 -13.012 1.00 0.00 H new ATOM 0 HD12 LEU B 452 -7.379 -8.133 -14.695 1.00 0.00 H new ATOM 0 HD13 LEU B 452 -7.659 -9.590 -13.712 1.00 0.00 H new ATOM 0 HD21 LEU B 452 -4.820 -9.568 -12.411 1.00 0.00 H new ATOM 0 HD22 LEU B 452 -5.545 -11.053 -13.072 1.00 0.00 H new ATOM 0 HD23 LEU B 452 -3.959 -10.500 -13.660 1.00 0.00 H new ATOM 1008 N MET B 453 -5.369 -9.989 -18.673 1.00 0.00 N ATOM 1009 CA MET B 453 -5.390 -9.325 -19.966 1.00 0.00 C ATOM 1010 C MET B 453 -6.168 -8.010 -19.894 1.00 0.00 C ATOM 1011 O MET B 453 -7.379 -8.011 -19.677 1.00 0.00 O ATOM 1012 CB MET B 453 -6.039 -10.246 -21.001 1.00 0.00 C ATOM 1013 CG MET B 453 -6.306 -9.498 -22.309 1.00 0.00 C ATOM 1014 SD MET B 453 -5.405 -10.266 -23.646 1.00 0.00 S ATOM 1015 CE MET B 453 -3.738 -10.112 -23.025 1.00 0.00 C ATOM 0 H MET B 453 -6.118 -10.667 -18.529 1.00 0.00 H new ATOM 0 HA MET B 453 -4.363 -9.102 -20.257 1.00 0.00 H new ATOM 0 HB2 MET B 453 -5.389 -11.100 -21.192 1.00 0.00 H new ATOM 0 HB3 MET B 453 -6.975 -10.641 -20.606 1.00 0.00 H new ATOM 0 HG2 MET B 453 -7.374 -9.503 -22.529 1.00 0.00 H new ATOM 0 HG3 MET B 453 -6.006 -8.455 -22.209 1.00 0.00 H new ATOM 0 HE1 MET B 453 -3.231 -11.074 -23.102 1.00 0.00 H new ATOM 0 HE2 MET B 453 -3.198 -9.369 -23.612 1.00 0.00 H new ATOM 0 HE3 MET B 453 -3.766 -9.799 -21.981 1.00 0.00 H new ATOM 1025 N GLY B 454 -5.440 -6.918 -20.080 1.00 0.00 N ATOM 1026 CA GLY B 454 -6.046 -5.598 -20.039 1.00 0.00 C ATOM 1027 C GLY B 454 -5.533 -4.723 -21.185 1.00 0.00 C ATOM 1028 O GLY B 454 -4.687 -5.152 -21.967 1.00 0.00 O ATOM 0 H GLY B 454 -4.436 -6.921 -20.259 1.00 0.00 H new ATOM 0 HA2 GLY B 454 -7.130 -5.690 -20.104 1.00 0.00 H new ATOM 0 HA3 GLY B 454 -5.823 -5.121 -19.085 1.00 0.00 H new ATOM 1032 N VAL B 455 -6.068 -3.513 -21.247 1.00 0.00 N ATOM 1033 CA VAL B 455 -5.674 -2.573 -22.283 1.00 0.00 C ATOM 1034 C VAL B 455 -5.518 -1.180 -21.669 1.00 0.00 C ATOM 1035 O VAL B 455 -6.256 -0.815 -20.755 1.00 0.00 O ATOM 1036 CB VAL B 455 -6.682 -2.610 -23.434 1.00 0.00 C ATOM 1037 CG1 VAL B 455 -8.100 -2.333 -22.930 1.00 0.00 C ATOM 1038 CG2 VAL B 455 -6.289 -1.626 -24.538 1.00 0.00 C ATOM 0 H VAL B 455 -6.771 -3.161 -20.597 1.00 0.00 H new ATOM 0 HA VAL B 455 -4.709 -2.852 -22.705 1.00 0.00 H new ATOM 0 HB VAL B 455 -6.669 -3.613 -23.860 1.00 0.00 H new ATOM 0 HG11 VAL B 455 -8.797 -2.365 -23.768 1.00 0.00 H new ATOM 0 HG12 VAL B 455 -8.380 -3.089 -22.196 1.00 0.00 H new ATOM 0 HG13 VAL B 455 -8.135 -1.347 -22.466 1.00 0.00 H new ATOM 0 HG21 VAL B 455 -7.021 -1.672 -25.344 1.00 0.00 H new ATOM 0 HG22 VAL B 455 -6.260 -0.615 -24.131 1.00 0.00 H new ATOM 0 HG23 VAL B 455 -5.305 -1.889 -24.926 1.00 0.00 H new ATOM 1048 N LYS B 456 -4.553 -0.441 -22.197 1.00 0.00 N ATOM 1049 CA LYS B 456 -4.291 0.904 -21.712 1.00 0.00 C ATOM 1050 C LYS B 456 -5.282 1.875 -22.356 1.00 0.00 C ATOM 1051 O LYS B 456 -5.895 1.559 -23.375 1.00 0.00 O ATOM 1052 CB LYS B 456 -2.826 1.279 -21.940 1.00 0.00 C ATOM 1053 CG LYS B 456 -2.026 1.180 -20.640 1.00 0.00 C ATOM 1054 CD LYS B 456 -0.691 1.919 -20.760 1.00 0.00 C ATOM 1055 CE LYS B 456 0.134 1.375 -21.927 1.00 0.00 C ATOM 1056 NZ LYS B 456 1.260 2.285 -22.235 1.00 0.00 N ATOM 0 H LYS B 456 -3.943 -0.748 -22.955 1.00 0.00 H new ATOM 0 HA LYS B 456 -4.446 0.958 -20.634 1.00 0.00 H new ATOM 0 HB2 LYS B 456 -2.391 0.619 -22.690 1.00 0.00 H new ATOM 0 HB3 LYS B 456 -2.764 2.294 -22.333 1.00 0.00 H new ATOM 0 HG2 LYS B 456 -2.606 1.601 -19.819 1.00 0.00 H new ATOM 0 HG3 LYS B 456 -1.846 0.132 -20.399 1.00 0.00 H new ATOM 0 HD2 LYS B 456 -0.873 2.984 -20.904 1.00 0.00 H new ATOM 0 HD3 LYS B 456 -0.129 1.814 -19.832 1.00 0.00 H new ATOM 0 HE2 LYS B 456 0.516 0.385 -21.679 1.00 0.00 H new ATOM 0 HE3 LYS B 456 -0.500 1.261 -22.806 1.00 0.00 H new ATOM 0 HZ1 LYS B 456 1.810 1.900 -23.030 1.00 0.00 H new ATOM 0 HZ2 LYS B 456 0.889 3.222 -22.492 1.00 0.00 H new ATOM 0 HZ3 LYS B 456 1.874 2.373 -21.400 1.00 0.00 H new ATOM 1070 N GLU B 457 -5.410 3.039 -21.735 1.00 0.00 N ATOM 1071 CA GLU B 457 -6.316 4.058 -22.235 1.00 0.00 C ATOM 1072 C GLU B 457 -5.957 4.428 -23.676 1.00 0.00 C ATOM 1073 O GLU B 457 -6.839 4.570 -24.522 1.00 0.00 O ATOM 1074 CB GLU B 457 -6.302 5.294 -21.333 1.00 0.00 C ATOM 1075 CG GLU B 457 -7.106 6.437 -21.956 1.00 0.00 C ATOM 1076 CD GLU B 457 -7.805 7.267 -20.878 1.00 0.00 C ATOM 1077 OE1 GLU B 457 -7.107 8.100 -20.261 1.00 0.00 O ATOM 1078 OE2 GLU B 457 -9.023 7.050 -20.695 1.00 0.00 O ATOM 0 H GLU B 457 -4.901 3.298 -20.890 1.00 0.00 H new ATOM 0 HA GLU B 457 -7.328 3.652 -22.226 1.00 0.00 H new ATOM 0 HB2 GLU B 457 -6.718 5.041 -20.358 1.00 0.00 H new ATOM 0 HB3 GLU B 457 -5.274 5.616 -21.167 1.00 0.00 H new ATOM 0 HG2 GLU B 457 -6.444 7.076 -22.540 1.00 0.00 H new ATOM 0 HG3 GLU B 457 -7.847 6.032 -22.645 1.00 0.00 H new ATOM 1085 N SER B 458 -4.661 4.571 -23.911 1.00 0.00 N ATOM 1086 CA SER B 458 -4.175 4.921 -25.235 1.00 0.00 C ATOM 1087 C SER B 458 -4.590 3.849 -26.245 1.00 0.00 C ATOM 1088 O SER B 458 -5.044 4.168 -27.342 1.00 0.00 O ATOM 1089 CB SER B 458 -2.655 5.091 -25.236 1.00 0.00 C ATOM 1090 OG SER B 458 -2.247 6.240 -25.974 1.00 0.00 O ATOM 0 H SER B 458 -3.933 4.451 -23.207 1.00 0.00 H new ATOM 0 HA SER B 458 -4.620 5.874 -25.522 1.00 0.00 H new ATOM 0 HB2 SER B 458 -2.299 5.174 -24.209 1.00 0.00 H new ATOM 0 HB3 SER B 458 -2.191 4.202 -25.663 1.00 0.00 H new ATOM 0 HG SER B 458 -1.270 6.315 -25.949 1.00 0.00 H new ATOM 1096 N ASP B 459 -4.420 2.600 -25.837 1.00 0.00 N ATOM 1097 CA ASP B 459 -4.771 1.479 -26.692 1.00 0.00 C ATOM 1098 C ASP B 459 -6.262 1.548 -27.029 1.00 0.00 C ATOM 1099 O ASP B 459 -6.676 1.150 -28.116 1.00 0.00 O ATOM 1100 CB ASP B 459 -4.506 0.146 -25.990 1.00 0.00 C ATOM 1101 CG ASP B 459 -3.055 -0.335 -26.043 1.00 0.00 C ATOM 1102 OD1 ASP B 459 -2.189 0.508 -26.362 1.00 0.00 O ATOM 1103 OD2 ASP B 459 -2.844 -1.535 -25.764 1.00 0.00 O ATOM 0 H ASP B 459 -4.044 2.340 -24.925 1.00 0.00 H new ATOM 0 HA ASP B 459 -4.161 1.539 -27.593 1.00 0.00 H new ATOM 0 HB2 ASP B 459 -4.805 0.237 -24.946 1.00 0.00 H new ATOM 0 HB3 ASP B 459 -5.142 -0.617 -26.439 1.00 0.00 H new ATOM 1108 N TRP B 460 -7.029 2.056 -26.075 1.00 0.00 N ATOM 1109 CA TRP B 460 -8.465 2.182 -26.256 1.00 0.00 C ATOM 1110 C TRP B 460 -8.712 2.925 -27.570 1.00 0.00 C ATOM 1111 O TRP B 460 -9.528 2.498 -28.385 1.00 0.00 O ATOM 1112 CB TRP B 460 -9.112 2.867 -25.050 1.00 0.00 C ATOM 1113 CG TRP B 460 -10.632 2.710 -24.987 1.00 0.00 C ATOM 1114 CD1 TRP B 460 -11.468 2.362 -25.976 1.00 0.00 C ATOM 1115 CD2 TRP B 460 -11.470 2.909 -23.829 1.00 0.00 C ATOM 1116 NE1 TRP B 460 -12.777 2.324 -25.541 1.00 0.00 N ATOM 1117 CE2 TRP B 460 -12.778 2.667 -24.194 1.00 0.00 C ATOM 1118 CE3 TRP B 460 -11.133 3.282 -22.516 1.00 0.00 C ATOM 1119 CZ2 TRP B 460 -13.855 2.771 -23.305 1.00 0.00 C ATOM 1120 CZ3 TRP B 460 -12.220 3.382 -21.639 1.00 0.00 C ATOM 1121 CH2 TRP B 460 -13.543 3.142 -21.991 1.00 0.00 C ATOM 0 H TRP B 460 -6.682 2.385 -25.174 1.00 0.00 H new ATOM 0 HA TRP B 460 -8.934 1.200 -26.318 1.00 0.00 H new ATOM 0 HB2 TRP B 460 -8.677 2.460 -24.137 1.00 0.00 H new ATOM 0 HB3 TRP B 460 -8.867 3.929 -25.074 1.00 0.00 H new ATOM 0 HD1 TRP B 460 -11.156 2.139 -26.986 1.00 0.00 H new ATOM 0 HE1 TRP B 460 -13.594 2.088 -26.104 1.00 0.00 H new ATOM 0 HE3 TRP B 460 -10.116 3.476 -22.208 1.00 0.00 H new ATOM 0 HZ2 TRP B 460 -14.871 2.576 -23.616 1.00 0.00 H new ATOM 0 HZ3 TRP B 460 -12.016 3.666 -20.617 1.00 0.00 H new ATOM 0 HH2 TRP B 460 -14.327 3.241 -21.255 1.00 0.00 H new ATOM 1132 N ASN B 461 -7.992 4.025 -27.735 1.00 0.00 N ATOM 1133 CA ASN B 461 -8.124 4.832 -28.936 1.00 0.00 C ATOM 1134 C ASN B 461 -7.595 4.044 -30.135 1.00 0.00 C ATOM 1135 O ASN B 461 -7.981 4.305 -31.274 1.00 0.00 O ATOM 1136 CB ASN B 461 -7.311 6.124 -28.823 1.00 0.00 C ATOM 1137 CG ASN B 461 -7.788 6.971 -27.642 1.00 0.00 C ATOM 1138 OD1 ASN B 461 -8.695 7.780 -27.751 1.00 0.00 O ATOM 1139 ND2 ASN B 461 -7.128 6.741 -26.510 1.00 0.00 N ATOM 0 H ASN B 461 -7.316 4.376 -27.057 1.00 0.00 H new ATOM 0 HA ASN B 461 -9.178 5.079 -29.063 1.00 0.00 H new ATOM 0 HB2 ASN B 461 -6.255 5.884 -28.700 1.00 0.00 H new ATOM 0 HB3 ASN B 461 -7.402 6.697 -29.746 1.00 0.00 H new ATOM 0 HD21 ASN B 461 -7.371 7.256 -25.664 1.00 0.00 H new ATOM 0 HD22 ASN B 461 -6.379 6.049 -26.488 1.00 0.00 H new ATOM 1146 N GLN B 462 -6.719 3.094 -29.839 1.00 0.00 N ATOM 1147 CA GLN B 462 -6.132 2.267 -30.879 1.00 0.00 C ATOM 1148 C GLN B 462 -7.077 1.118 -31.239 1.00 0.00 C ATOM 1149 O GLN B 462 -6.659 0.133 -31.847 1.00 0.00 O ATOM 1150 CB GLN B 462 -4.762 1.737 -30.451 1.00 0.00 C ATOM 1151 CG GLN B 462 -3.805 2.886 -30.131 1.00 0.00 C ATOM 1152 CD GLN B 462 -3.956 4.023 -31.144 1.00 0.00 C ATOM 1153 OE1 GLN B 462 -3.628 3.896 -32.312 1.00 0.00 O ATOM 1154 NE2 GLN B 462 -4.469 5.139 -30.633 1.00 0.00 N ATOM 0 H GLN B 462 -6.402 2.879 -28.894 1.00 0.00 H new ATOM 0 HA GLN B 462 -5.985 2.883 -31.766 1.00 0.00 H new ATOM 0 HB2 GLN B 462 -4.873 1.097 -29.576 1.00 0.00 H new ATOM 0 HB3 GLN B 462 -4.342 1.120 -31.246 1.00 0.00 H new ATOM 0 HG2 GLN B 462 -4.003 3.260 -29.127 1.00 0.00 H new ATOM 0 HG3 GLN B 462 -2.778 2.521 -30.138 1.00 0.00 H new ATOM 0 HE21 GLN B 462 -4.723 5.178 -29.646 1.00 0.00 H new ATOM 0 HE22 GLN B 462 -4.609 5.955 -31.228 1.00 0.00 H new ATOM 1163 N HIS B 463 -8.332 1.282 -30.849 1.00 0.00 N ATOM 1164 CA HIS B 463 -9.339 0.271 -31.122 1.00 0.00 C ATOM 1165 C HIS B 463 -9.207 -0.207 -32.570 1.00 0.00 C ATOM 1166 O HIS B 463 -9.632 -1.312 -32.904 1.00 0.00 O ATOM 1167 CB HIS B 463 -10.739 0.795 -30.796 1.00 0.00 C ATOM 1168 CG HIS B 463 -11.798 0.375 -31.786 1.00 0.00 C ATOM 1169 ND1 HIS B 463 -12.134 -0.949 -32.008 1.00 0.00 N ATOM 1170 CD2 HIS B 463 -12.593 1.117 -32.609 1.00 0.00 C ATOM 1171 CE1 HIS B 463 -13.089 -0.990 -32.926 1.00 0.00 C ATOM 1172 NE2 HIS B 463 -13.372 0.291 -33.298 1.00 0.00 N ATOM 0 H HIS B 463 -8.675 2.100 -30.346 1.00 0.00 H new ATOM 0 HA HIS B 463 -9.178 -0.591 -30.475 1.00 0.00 H new ATOM 0 HB2 HIS B 463 -11.025 0.445 -29.804 1.00 0.00 H new ATOM 0 HB3 HIS B 463 -10.707 1.884 -30.753 1.00 0.00 H new ATOM 0 HD2 HIS B 463 -12.590 2.194 -32.687 1.00 0.00 H new ATOM 0 HE1 HIS B 463 -13.560 -1.882 -33.312 1.00 0.00 H new ATOM 0 HE2 HIS B 463 -14.067 0.569 -33.991 1.00 0.00 H new ATOM 1180 N LYS B 464 -8.618 0.650 -33.390 1.00 0.00 N ATOM 1181 CA LYS B 464 -8.425 0.330 -34.794 1.00 0.00 C ATOM 1182 C LYS B 464 -7.629 -0.972 -34.911 1.00 0.00 C ATOM 1183 O LYS B 464 -7.798 -1.723 -35.871 1.00 0.00 O ATOM 1184 CB LYS B 464 -7.786 1.509 -35.530 1.00 0.00 C ATOM 1185 CG LYS B 464 -8.747 2.094 -36.567 1.00 0.00 C ATOM 1186 CD LYS B 464 -8.072 3.203 -37.377 1.00 0.00 C ATOM 1187 CE LYS B 464 -7.885 4.463 -36.530 1.00 0.00 C ATOM 1188 NZ LYS B 464 -7.201 5.517 -37.313 1.00 0.00 N ATOM 0 H LYS B 464 -8.268 1.566 -33.109 1.00 0.00 H new ATOM 0 HA LYS B 464 -9.385 0.163 -35.282 1.00 0.00 H new ATOM 0 HB2 LYS B 464 -7.505 2.281 -34.813 1.00 0.00 H new ATOM 0 HB3 LYS B 464 -6.870 1.182 -36.022 1.00 0.00 H new ATOM 0 HG2 LYS B 464 -9.088 1.305 -37.238 1.00 0.00 H new ATOM 0 HG3 LYS B 464 -9.630 2.491 -36.066 1.00 0.00 H new ATOM 0 HD2 LYS B 464 -7.104 2.856 -37.739 1.00 0.00 H new ATOM 0 HD3 LYS B 464 -8.675 3.436 -38.254 1.00 0.00 H new ATOM 0 HE2 LYS B 464 -8.854 4.826 -36.189 1.00 0.00 H new ATOM 0 HE3 LYS B 464 -7.302 4.227 -35.640 1.00 0.00 H new ATOM 0 HZ1 LYS B 464 -7.082 6.365 -36.723 1.00 0.00 H new ATOM 0 HZ2 LYS B 464 -6.268 5.173 -37.617 1.00 0.00 H new ATOM 0 HZ3 LYS B 464 -7.772 5.754 -38.149 1.00 0.00 H new ATOM 1202 N LYS B 465 -6.778 -1.199 -33.921 1.00 0.00 N ATOM 1203 CA LYS B 465 -5.956 -2.396 -33.901 1.00 0.00 C ATOM 1204 C LYS B 465 -5.873 -2.929 -32.469 1.00 0.00 C ATOM 1205 O LYS B 465 -4.782 -3.146 -31.946 1.00 0.00 O ATOM 1206 CB LYS B 465 -4.590 -2.119 -34.534 1.00 0.00 C ATOM 1207 CG LYS B 465 -3.791 -1.119 -33.696 1.00 0.00 C ATOM 1208 CD LYS B 465 -2.899 -0.249 -34.585 1.00 0.00 C ATOM 1209 CE LYS B 465 -1.678 0.252 -33.812 1.00 0.00 C ATOM 1210 NZ LYS B 465 -0.873 1.168 -34.652 1.00 0.00 N ATOM 0 H LYS B 465 -6.640 -0.574 -33.127 1.00 0.00 H new ATOM 0 HA LYS B 465 -6.410 -3.180 -34.508 1.00 0.00 H new ATOM 0 HB2 LYS B 465 -4.032 -3.051 -34.625 1.00 0.00 H new ATOM 0 HB3 LYS B 465 -4.725 -1.728 -35.543 1.00 0.00 H new ATOM 0 HG2 LYS B 465 -4.474 -0.486 -33.129 1.00 0.00 H new ATOM 0 HG3 LYS B 465 -3.177 -1.654 -32.972 1.00 0.00 H new ATOM 0 HD2 LYS B 465 -2.574 -0.823 -35.453 1.00 0.00 H new ATOM 0 HD3 LYS B 465 -3.470 0.600 -34.960 1.00 0.00 H new ATOM 0 HE2 LYS B 465 -1.999 0.767 -32.907 1.00 0.00 H new ATOM 0 HE3 LYS B 465 -1.067 -0.594 -33.497 1.00 0.00 H new ATOM 0 HZ1 LYS B 465 -0.048 1.499 -34.112 1.00 0.00 H new ATOM 0 HZ2 LYS B 465 -0.551 0.665 -35.503 1.00 0.00 H new ATOM 0 HZ3 LYS B 465 -1.454 1.984 -34.931 1.00 0.00 H new ATOM 1224 N LEU B 466 -7.042 -3.125 -31.877 1.00 0.00 N ATOM 1225 CA LEU B 466 -7.116 -3.629 -30.516 1.00 0.00 C ATOM 1226 C LEU B 466 -6.453 -5.006 -30.450 1.00 0.00 C ATOM 1227 O LEU B 466 -5.877 -5.373 -29.427 1.00 0.00 O ATOM 1228 CB LEU B 466 -8.563 -3.619 -30.019 1.00 0.00 C ATOM 1229 CG LEU B 466 -9.416 -4.827 -30.413 1.00 0.00 C ATOM 1230 CD1 LEU B 466 -9.765 -5.675 -29.189 1.00 0.00 C ATOM 1231 CD2 LEU B 466 -10.665 -4.389 -31.181 1.00 0.00 C ATOM 0 H LEU B 466 -7.945 -2.944 -32.315 1.00 0.00 H new ATOM 0 HA LEU B 466 -6.566 -2.977 -29.838 1.00 0.00 H new ATOM 0 HB2 LEU B 466 -8.552 -3.546 -28.931 1.00 0.00 H new ATOM 0 HB3 LEU B 466 -9.049 -2.718 -30.394 1.00 0.00 H new ATOM 0 HG LEU B 466 -8.829 -5.455 -31.083 1.00 0.00 H new ATOM 0 HD11 LEU B 466 -10.371 -6.527 -29.497 1.00 0.00 H new ATOM 0 HD12 LEU B 466 -8.848 -6.033 -28.721 1.00 0.00 H new ATOM 0 HD13 LEU B 466 -10.325 -5.071 -28.475 1.00 0.00 H new ATOM 0 HD21 LEU B 466 -11.254 -5.266 -31.449 1.00 0.00 H new ATOM 0 HD22 LEU B 466 -11.264 -3.728 -30.555 1.00 0.00 H new ATOM 0 HD23 LEU B 466 -10.368 -3.860 -32.087 1.00 0.00 H new ATOM 1243 N GLU B 467 -6.556 -5.731 -31.554 1.00 0.00 N ATOM 1244 CA GLU B 467 -5.974 -7.060 -31.635 1.00 0.00 C ATOM 1245 C GLU B 467 -4.462 -6.991 -31.414 1.00 0.00 C ATOM 1246 O GLU B 467 -3.826 -8.003 -31.123 1.00 0.00 O ATOM 1247 CB GLU B 467 -6.303 -7.723 -32.973 1.00 0.00 C ATOM 1248 CG GLU B 467 -7.774 -8.141 -33.031 1.00 0.00 C ATOM 1249 CD GLU B 467 -8.268 -8.211 -34.478 1.00 0.00 C ATOM 1250 OE1 GLU B 467 -7.622 -8.938 -35.263 1.00 0.00 O ATOM 1251 OE2 GLU B 467 -9.280 -7.536 -34.765 1.00 0.00 O ATOM 0 H GLU B 467 -7.034 -5.423 -32.401 1.00 0.00 H new ATOM 0 HA GLU B 467 -6.409 -7.674 -30.847 1.00 0.00 H new ATOM 0 HB2 GLU B 467 -6.085 -7.033 -33.788 1.00 0.00 H new ATOM 0 HB3 GLU B 467 -5.667 -8.597 -33.116 1.00 0.00 H new ATOM 0 HG2 GLU B 467 -7.899 -9.113 -32.553 1.00 0.00 H new ATOM 0 HG3 GLU B 467 -8.380 -7.430 -32.470 1.00 0.00 H new ATOM 1258 N LYS B 468 -3.929 -5.787 -31.562 1.00 0.00 N ATOM 1259 CA LYS B 468 -2.503 -5.573 -31.383 1.00 0.00 C ATOM 1260 C LYS B 468 -2.275 -4.664 -30.173 1.00 0.00 C ATOM 1261 O LYS B 468 -1.153 -4.229 -29.922 1.00 0.00 O ATOM 1262 CB LYS B 468 -1.874 -5.046 -32.675 1.00 0.00 C ATOM 1263 CG LYS B 468 -2.288 -5.900 -33.875 1.00 0.00 C ATOM 1264 CD LYS B 468 -1.064 -6.356 -34.672 1.00 0.00 C ATOM 1265 CE LYS B 468 -0.176 -7.277 -33.833 1.00 0.00 C ATOM 1266 NZ LYS B 468 0.143 -8.513 -34.583 1.00 0.00 N ATOM 0 H LYS B 468 -4.459 -4.950 -31.804 1.00 0.00 H new ATOM 0 HA LYS B 468 -2.000 -6.517 -31.172 1.00 0.00 H new ATOM 0 HB2 LYS B 468 -2.180 -4.012 -32.837 1.00 0.00 H new ATOM 0 HB3 LYS B 468 -0.788 -5.046 -32.581 1.00 0.00 H new ATOM 0 HG2 LYS B 468 -2.847 -6.770 -33.531 1.00 0.00 H new ATOM 0 HG3 LYS B 468 -2.954 -5.328 -34.521 1.00 0.00 H new ATOM 0 HD2 LYS B 468 -1.386 -6.877 -35.573 1.00 0.00 H new ATOM 0 HD3 LYS B 468 -0.491 -5.487 -34.994 1.00 0.00 H new ATOM 0 HE2 LYS B 468 0.745 -6.759 -33.565 1.00 0.00 H new ATOM 0 HE3 LYS B 468 -0.682 -7.530 -32.901 1.00 0.00 H new ATOM 0 HZ1 LYS B 468 0.746 -9.127 -34.000 1.00 0.00 H new ATOM 0 HZ2 LYS B 468 -0.738 -9.014 -34.817 1.00 0.00 H new ATOM 0 HZ3 LYS B 468 0.645 -8.267 -35.460 1.00 0.00 H new ATOM 1280 N CYS B 469 -3.359 -4.405 -29.456 1.00 0.00 N ATOM 1281 CA CYS B 469 -3.292 -3.556 -28.279 1.00 0.00 C ATOM 1282 C CYS B 469 -3.344 -4.450 -27.039 1.00 0.00 C ATOM 1283 O CYS B 469 -2.872 -4.063 -25.970 1.00 0.00 O ATOM 1284 CB CYS B 469 -4.406 -2.507 -28.274 1.00 0.00 C ATOM 1285 SG CYS B 469 -5.879 -3.163 -27.408 1.00 0.00 S ATOM 0 H CYS B 469 -4.288 -4.768 -29.668 1.00 0.00 H new ATOM 0 HA CYS B 469 -2.357 -2.997 -28.283 1.00 0.00 H new ATOM 0 HB2 CYS B 469 -4.059 -1.598 -27.782 1.00 0.00 H new ATOM 0 HB3 CYS B 469 -4.666 -2.236 -29.297 1.00 0.00 H new ATOM 0 HG CYS B 469 -6.257 -4.271 -27.974 1.00 0.00 H new ATOM 1291 N ARG B 470 -3.921 -5.628 -27.221 1.00 0.00 N ATOM 1292 CA ARG B 470 -4.040 -6.580 -26.130 1.00 0.00 C ATOM 1293 C ARG B 470 -2.686 -6.777 -25.446 1.00 0.00 C ATOM 1294 O ARG B 470 -1.658 -6.881 -26.114 1.00 0.00 O ATOM 1295 CB ARG B 470 -4.551 -7.932 -26.632 1.00 0.00 C ATOM 1296 CG ARG B 470 -5.773 -7.755 -27.536 1.00 0.00 C ATOM 1297 CD ARG B 470 -6.914 -8.678 -27.103 1.00 0.00 C ATOM 1298 NE ARG B 470 -7.100 -9.756 -28.100 1.00 0.00 N ATOM 1299 CZ ARG B 470 -7.916 -10.805 -27.929 1.00 0.00 C ATOM 1300 NH1 ARG B 470 -8.626 -10.923 -26.799 1.00 0.00 N ATOM 1301 NH2 ARG B 470 -8.021 -11.735 -28.887 1.00 0.00 N ATOM 0 H ARG B 470 -4.312 -5.945 -28.108 1.00 0.00 H new ATOM 0 HA ARG B 470 -4.756 -6.176 -25.415 1.00 0.00 H new ATOM 0 HB2 ARG B 470 -3.760 -8.443 -27.180 1.00 0.00 H new ATOM 0 HB3 ARG B 470 -4.811 -8.565 -25.783 1.00 0.00 H new ATOM 0 HG2 ARG B 470 -6.107 -6.718 -27.503 1.00 0.00 H new ATOM 0 HG3 ARG B 470 -5.500 -7.969 -28.569 1.00 0.00 H new ATOM 0 HD2 ARG B 470 -6.693 -9.109 -26.126 1.00 0.00 H new ATOM 0 HD3 ARG B 470 -7.836 -8.106 -26.998 1.00 0.00 H new ATOM 0 HE ARG B 470 -6.574 -9.697 -28.972 1.00 0.00 H new ATOM 0 HH11 ARG B 470 -8.545 -10.215 -26.070 1.00 0.00 H new ATOM 0 HH12 ARG B 470 -9.247 -11.721 -26.668 1.00 0.00 H new ATOM 0 HH21 ARG B 470 -7.480 -11.645 -29.747 1.00 0.00 H new ATOM 0 HH22 ARG B 470 -8.642 -12.533 -28.757 1.00 0.00 H new ATOM 1315 N GLY B 471 -2.728 -6.821 -24.123 1.00 0.00 N ATOM 1316 CA GLY B 471 -1.516 -7.001 -23.341 1.00 0.00 C ATOM 1317 C GLY B 471 -1.831 -7.617 -21.976 1.00 0.00 C ATOM 1318 O GLY B 471 -2.992 -7.868 -21.657 1.00 0.00 O ATOM 0 H GLY B 471 -3.582 -6.735 -23.572 1.00 0.00 H new ATOM 0 HA2 GLY B 471 -0.822 -7.643 -23.882 1.00 0.00 H new ATOM 0 HA3 GLY B 471 -1.021 -6.040 -23.205 1.00 0.00 H new ATOM 1322 N VAL B 472 -0.776 -7.842 -21.207 1.00 0.00 N ATOM 1323 CA VAL B 472 -0.925 -8.423 -19.884 1.00 0.00 C ATOM 1324 C VAL B 472 -0.326 -7.474 -18.844 1.00 0.00 C ATOM 1325 O VAL B 472 0.701 -6.844 -19.092 1.00 0.00 O ATOM 1326 CB VAL B 472 -0.298 -9.819 -19.851 1.00 0.00 C ATOM 1327 CG1 VAL B 472 -0.287 -10.382 -18.429 1.00 0.00 C ATOM 1328 CG2 VAL B 472 -1.020 -10.766 -20.811 1.00 0.00 C ATOM 0 H VAL B 472 0.186 -7.632 -21.475 1.00 0.00 H new ATOM 0 HA VAL B 472 -1.980 -8.549 -19.640 1.00 0.00 H new ATOM 0 HB VAL B 472 0.736 -9.730 -20.183 1.00 0.00 H new ATOM 0 HG11 VAL B 472 0.164 -11.374 -18.434 1.00 0.00 H new ATOM 0 HG12 VAL B 472 0.292 -9.724 -17.782 1.00 0.00 H new ATOM 0 HG13 VAL B 472 -1.309 -10.450 -18.057 1.00 0.00 H new ATOM 0 HG21 VAL B 472 -0.555 -11.751 -20.769 1.00 0.00 H new ATOM 0 HG22 VAL B 472 -2.068 -10.847 -20.523 1.00 0.00 H new ATOM 0 HG23 VAL B 472 -0.952 -10.376 -21.827 1.00 0.00 H new ATOM 1338 N PHE B 473 -0.993 -7.402 -17.701 1.00 0.00 N ATOM 1339 CA PHE B 473 -0.538 -6.541 -16.623 1.00 0.00 C ATOM 1340 C PHE B 473 -0.871 -7.149 -15.259 1.00 0.00 C ATOM 1341 O PHE B 473 -1.883 -7.832 -15.110 1.00 0.00 O ATOM 1342 CB PHE B 473 -1.279 -5.211 -16.769 1.00 0.00 C ATOM 1343 CG PHE B 473 -2.765 -5.283 -16.414 1.00 0.00 C ATOM 1344 CD1 PHE B 473 -3.636 -5.900 -17.256 1.00 0.00 C ATOM 1345 CD2 PHE B 473 -3.215 -4.731 -15.255 1.00 0.00 C ATOM 1346 CE1 PHE B 473 -5.016 -5.968 -16.926 1.00 0.00 C ATOM 1347 CE2 PHE B 473 -4.594 -4.799 -14.925 1.00 0.00 C ATOM 1348 CZ PHE B 473 -5.466 -5.416 -15.767 1.00 0.00 C ATOM 0 H PHE B 473 -1.845 -7.926 -17.498 1.00 0.00 H new ATOM 0 HA PHE B 473 0.543 -6.413 -16.680 1.00 0.00 H new ATOM 0 HB2 PHE B 473 -0.800 -4.468 -16.132 1.00 0.00 H new ATOM 0 HB3 PHE B 473 -1.178 -4.862 -17.797 1.00 0.00 H new ATOM 0 HD1 PHE B 473 -3.279 -6.339 -18.176 1.00 0.00 H new ATOM 0 HD2 PHE B 473 -2.523 -4.241 -14.586 1.00 0.00 H new ATOM 0 HE1 PHE B 473 -5.708 -6.458 -17.595 1.00 0.00 H new ATOM 0 HE2 PHE B 473 -4.951 -4.361 -14.005 1.00 0.00 H new ATOM 0 HZ PHE B 473 -6.515 -5.468 -15.516 1.00 0.00 H new ATOM 1358 N PRO B 474 0.023 -6.872 -14.272 1.00 0.00 N ATOM 1359 CA PRO B 474 -0.166 -7.384 -12.925 1.00 0.00 C ATOM 1360 C PRO B 474 -1.266 -6.611 -12.194 1.00 0.00 C ATOM 1361 O PRO B 474 -1.138 -5.408 -11.967 1.00 0.00 O ATOM 1362 CB PRO B 474 1.194 -7.253 -12.260 1.00 0.00 C ATOM 1363 CG PRO B 474 1.973 -6.251 -13.097 1.00 0.00 C ATOM 1364 CD PRO B 474 1.233 -6.067 -14.411 1.00 0.00 C ATOM 0 HA PRO B 474 -0.502 -8.421 -12.912 1.00 0.00 H new ATOM 0 HB2 PRO B 474 1.094 -6.908 -11.231 1.00 0.00 H new ATOM 0 HB3 PRO B 474 1.706 -8.215 -12.225 1.00 0.00 H new ATOM 0 HG2 PRO B 474 2.060 -5.300 -12.571 1.00 0.00 H new ATOM 0 HG3 PRO B 474 2.987 -6.610 -13.277 1.00 0.00 H new ATOM 0 HD2 PRO B 474 0.993 -5.018 -14.586 1.00 0.00 H new ATOM 0 HD3 PRO B 474 1.836 -6.401 -15.255 1.00 0.00 H new ATOM 1372 N GLU B 475 -2.321 -7.332 -11.847 1.00 0.00 N ATOM 1373 CA GLU B 475 -3.443 -6.729 -11.146 1.00 0.00 C ATOM 1374 C GLU B 475 -3.032 -6.335 -9.726 1.00 0.00 C ATOM 1375 O GLU B 475 -3.557 -5.373 -9.168 1.00 0.00 O ATOM 1376 CB GLU B 475 -4.648 -7.671 -11.127 1.00 0.00 C ATOM 1377 CG GLU B 475 -5.647 -7.261 -10.044 1.00 0.00 C ATOM 1378 CD GLU B 475 -7.087 -7.435 -10.531 1.00 0.00 C ATOM 1379 OE1 GLU B 475 -7.476 -6.666 -11.437 1.00 0.00 O ATOM 1380 OE2 GLU B 475 -7.766 -8.332 -9.987 1.00 0.00 O ATOM 0 H GLU B 475 -2.423 -8.329 -12.038 1.00 0.00 H new ATOM 0 HA GLU B 475 -3.738 -5.826 -11.681 1.00 0.00 H new ATOM 0 HB2 GLU B 475 -5.137 -7.661 -12.101 1.00 0.00 H new ATOM 0 HB3 GLU B 475 -4.313 -8.693 -10.949 1.00 0.00 H new ATOM 0 HG2 GLU B 475 -5.487 -7.863 -9.150 1.00 0.00 H new ATOM 0 HG3 GLU B 475 -5.478 -6.222 -9.763 1.00 0.00 H new ATOM 1387 N ASN B 476 -2.096 -7.099 -9.182 1.00 0.00 N ATOM 1388 CA ASN B 476 -1.609 -6.843 -7.837 1.00 0.00 C ATOM 1389 C ASN B 476 -0.743 -5.582 -7.845 1.00 0.00 C ATOM 1390 O ASN B 476 -0.306 -5.118 -6.793 1.00 0.00 O ATOM 1391 CB ASN B 476 -0.750 -8.003 -7.332 1.00 0.00 C ATOM 1392 CG ASN B 476 0.435 -8.256 -8.267 1.00 0.00 C ATOM 1393 OD1 ASN B 476 1.517 -7.719 -8.098 1.00 0.00 O ATOM 1394 ND2 ASN B 476 0.170 -9.101 -9.259 1.00 0.00 N ATOM 0 H ASN B 476 -1.662 -7.896 -9.648 1.00 0.00 H new ATOM 0 HA ASN B 476 -2.473 -6.723 -7.183 1.00 0.00 H new ATOM 0 HB2 ASN B 476 -0.385 -7.780 -6.329 1.00 0.00 H new ATOM 0 HB3 ASN B 476 -1.358 -8.905 -7.257 1.00 0.00 H new ATOM 0 HD21 ASN B 476 0.895 -9.335 -9.937 1.00 0.00 H new ATOM 0 HD22 ASN B 476 -0.758 -9.515 -9.342 1.00 0.00 H new ATOM 1401 N PHE B 477 -0.522 -5.062 -9.043 1.00 0.00 N ATOM 1402 CA PHE B 477 0.284 -3.863 -9.201 1.00 0.00 C ATOM 1403 C PHE B 477 -0.572 -2.686 -9.674 1.00 0.00 C ATOM 1404 O PHE B 477 -0.062 -1.584 -9.872 1.00 0.00 O ATOM 1405 CB PHE B 477 1.339 -4.171 -10.265 1.00 0.00 C ATOM 1406 CG PHE B 477 1.668 -2.986 -11.177 1.00 0.00 C ATOM 1407 CD1 PHE B 477 0.797 -2.620 -12.156 1.00 0.00 C ATOM 1408 CD2 PHE B 477 2.830 -2.300 -11.009 1.00 0.00 C ATOM 1409 CE1 PHE B 477 1.102 -1.521 -13.002 1.00 0.00 C ATOM 1410 CE2 PHE B 477 3.134 -1.201 -11.855 1.00 0.00 C ATOM 1411 CZ PHE B 477 2.264 -0.835 -12.833 1.00 0.00 C ATOM 0 H PHE B 477 -0.887 -5.449 -9.914 1.00 0.00 H new ATOM 0 HA PHE B 477 0.736 -3.589 -8.247 1.00 0.00 H new ATOM 0 HB2 PHE B 477 2.253 -4.501 -9.771 1.00 0.00 H new ATOM 0 HB3 PHE B 477 0.990 -5.002 -10.878 1.00 0.00 H new ATOM 0 HD1 PHE B 477 -0.126 -3.165 -12.290 1.00 0.00 H new ATOM 0 HD2 PHE B 477 3.522 -2.591 -10.232 1.00 0.00 H new ATOM 0 HE1 PHE B 477 0.411 -1.230 -13.780 1.00 0.00 H new ATOM 0 HE2 PHE B 477 4.057 -0.656 -11.721 1.00 0.00 H new ATOM 0 HZ PHE B 477 2.496 0.001 -13.476 1.00 0.00 H new ATOM 1421 N THR B 478 -1.857 -2.959 -9.841 1.00 0.00 N ATOM 1422 CA THR B 478 -2.789 -1.936 -10.285 1.00 0.00 C ATOM 1423 C THR B 478 -3.969 -1.834 -9.317 1.00 0.00 C ATOM 1424 O THR B 478 -4.035 -2.568 -8.332 1.00 0.00 O ATOM 1425 CB THR B 478 -3.205 -2.266 -11.719 1.00 0.00 C ATOM 1426 OG1 THR B 478 -3.153 -3.689 -11.778 1.00 0.00 O ATOM 1427 CG2 THR B 478 -2.168 -1.813 -12.749 1.00 0.00 C ATOM 0 H THR B 478 -2.276 -3.875 -9.677 1.00 0.00 H new ATOM 0 HA THR B 478 -2.324 -0.950 -10.286 1.00 0.00 H new ATOM 0 HB THR B 478 -4.163 -1.793 -11.936 1.00 0.00 H new ATOM 0 HG1 THR B 478 -2.233 -3.976 -11.959 1.00 0.00 H new ATOM 0 HG21 THR B 478 -2.513 -2.071 -13.750 1.00 0.00 H new ATOM 0 HG22 THR B 478 -2.033 -0.734 -12.679 1.00 0.00 H new ATOM 0 HG23 THR B 478 -1.218 -2.311 -12.552 1.00 0.00 H new ATOM 1435 N GLU B 479 -4.874 -0.918 -9.632 1.00 0.00 N ATOM 1436 CA GLU B 479 -6.049 -0.711 -8.803 1.00 0.00 C ATOM 1437 C GLU B 479 -7.308 -0.663 -9.670 1.00 0.00 C ATOM 1438 O GLU B 479 -7.251 -0.263 -10.832 1.00 0.00 O ATOM 1439 CB GLU B 479 -5.911 0.561 -7.965 1.00 0.00 C ATOM 1440 CG GLU B 479 -6.483 0.357 -6.560 1.00 0.00 C ATOM 1441 CD GLU B 479 -6.333 1.625 -5.717 1.00 0.00 C ATOM 1442 OE1 GLU B 479 -6.251 2.710 -6.334 1.00 0.00 O ATOM 1443 OE2 GLU B 479 -6.305 1.482 -4.476 1.00 0.00 O ATOM 0 H GLU B 479 -4.817 -0.311 -10.450 1.00 0.00 H new ATOM 0 HA GLU B 479 -6.137 -1.552 -8.115 1.00 0.00 H new ATOM 0 HB2 GLU B 479 -4.860 0.843 -7.896 1.00 0.00 H new ATOM 0 HB3 GLU B 479 -6.431 1.383 -8.457 1.00 0.00 H new ATOM 0 HG2 GLU B 479 -7.536 0.084 -6.628 1.00 0.00 H new ATOM 0 HG3 GLU B 479 -5.970 -0.471 -6.071 1.00 0.00 H new ATOM 1450 N ARG B 480 -8.416 -1.075 -9.072 1.00 0.00 N ATOM 1451 CA ARG B 480 -9.688 -1.083 -9.776 1.00 0.00 C ATOM 1452 C ARG B 480 -10.387 0.269 -9.624 1.00 0.00 C ATOM 1453 O ARG B 480 -10.499 0.794 -8.517 1.00 0.00 O ATOM 1454 CB ARG B 480 -10.605 -2.186 -9.244 1.00 0.00 C ATOM 1455 CG ARG B 480 -9.936 -3.558 -9.358 1.00 0.00 C ATOM 1456 CD ARG B 480 -10.957 -4.637 -9.724 1.00 0.00 C ATOM 1457 NE ARG B 480 -10.549 -5.936 -9.146 1.00 0.00 N ATOM 1458 CZ ARG B 480 -11.385 -6.964 -8.943 1.00 0.00 C ATOM 1459 NH1 ARG B 480 -12.680 -6.849 -9.270 1.00 0.00 N ATOM 1460 NH2 ARG B 480 -10.927 -8.106 -8.413 1.00 0.00 N ATOM 0 H ARG B 480 -8.460 -1.406 -8.108 1.00 0.00 H new ATOM 0 HA ARG B 480 -9.483 -1.274 -10.829 1.00 0.00 H new ATOM 0 HB2 ARG B 480 -10.855 -1.985 -8.202 1.00 0.00 H new ATOM 0 HB3 ARG B 480 -11.541 -2.186 -9.802 1.00 0.00 H new ATOM 0 HG2 ARG B 480 -9.152 -3.523 -10.114 1.00 0.00 H new ATOM 0 HG3 ARG B 480 -9.456 -3.812 -8.413 1.00 0.00 H new ATOM 0 HD2 ARG B 480 -11.943 -4.358 -9.352 1.00 0.00 H new ATOM 0 HD3 ARG B 480 -11.037 -4.721 -10.808 1.00 0.00 H new ATOM 0 HE ARG B 480 -9.570 -6.057 -8.886 1.00 0.00 H new ATOM 0 HH11 ARG B 480 -13.029 -5.979 -9.673 1.00 0.00 H new ATOM 0 HH12 ARG B 480 -13.316 -7.631 -9.116 1.00 0.00 H new ATOM 0 HH21 ARG B 480 -9.942 -8.193 -8.164 1.00 0.00 H new ATOM 0 HH22 ARG B 480 -11.564 -8.888 -8.259 1.00 0.00 H new ATOM 1474 N VAL B 481 -10.840 0.795 -10.753 1.00 0.00 N ATOM 1475 CA VAL B 481 -11.525 2.077 -10.759 1.00 0.00 C ATOM 1476 C VAL B 481 -13.021 1.849 -10.982 1.00 0.00 C ATOM 1477 O VAL B 481 -13.429 1.367 -12.037 1.00 0.00 O ATOM 1478 CB VAL B 481 -10.898 3.000 -11.807 1.00 0.00 C ATOM 1479 CG1 VAL B 481 -11.603 4.357 -11.833 1.00 0.00 C ATOM 1480 CG2 VAL B 481 -9.397 3.165 -11.563 1.00 0.00 C ATOM 0 H VAL B 481 -10.746 0.357 -11.669 1.00 0.00 H new ATOM 0 HA VAL B 481 -11.412 2.576 -9.796 1.00 0.00 H new ATOM 0 HB VAL B 481 -11.029 2.536 -12.785 1.00 0.00 H new ATOM 0 HG11 VAL B 481 -11.139 4.994 -12.586 1.00 0.00 H new ATOM 0 HG12 VAL B 481 -12.656 4.215 -12.077 1.00 0.00 H new ATOM 0 HG13 VAL B 481 -11.518 4.830 -10.855 1.00 0.00 H new ATOM 0 HG21 VAL B 481 -8.976 3.825 -12.321 1.00 0.00 H new ATOM 0 HG22 VAL B 481 -9.234 3.596 -10.575 1.00 0.00 H new ATOM 0 HG23 VAL B 481 -8.910 2.191 -11.619 1.00 0.00 H new ATOM 1490 N PRO B 482 -13.819 2.217 -9.944 1.00 0.00 N ATOM 1491 CA PRO B 482 -15.261 2.057 -10.015 1.00 0.00 C ATOM 1492 C PRO B 482 -15.887 3.122 -10.918 1.00 0.00 C ATOM 1493 O PRO B 482 -15.598 4.309 -10.777 1.00 0.00 O ATOM 1494 CB PRO B 482 -15.739 2.145 -8.574 1.00 0.00 C ATOM 1495 CG PRO B 482 -14.612 2.812 -7.802 1.00 0.00 C ATOM 1496 CD PRO B 482 -13.371 2.793 -8.679 1.00 0.00 C ATOM 0 HA PRO B 482 -15.557 1.108 -10.461 1.00 0.00 H new ATOM 0 HB2 PRO B 482 -16.659 2.725 -8.502 1.00 0.00 H new ATOM 0 HB3 PRO B 482 -15.955 1.155 -8.173 1.00 0.00 H new ATOM 0 HG2 PRO B 482 -14.881 3.836 -7.543 1.00 0.00 H new ATOM 0 HG3 PRO B 482 -14.426 2.285 -6.866 1.00 0.00 H new ATOM 0 HD2 PRO B 482 -12.971 3.797 -8.821 1.00 0.00 H new ATOM 0 HD3 PRO B 482 -12.578 2.195 -8.230 1.00 0.00 H new