USER MOD reduce.3.24.130724 H: found=0, std=0, add=625, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 627 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 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 27 LYS NZ :NH3+ -136:sc= 2.27 (180deg=1.28) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 81:sc= 1.31 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0131 USER MOD Single : A 47 LYS NZ :NH3+ 160:sc= 1.25 (180deg=1.09) USER MOD Single : A 54 SER OG : rot 96:sc= 0.805 USER MOD Single : A 61 SER OG : rot 122:sc= 0.865 USER MOD Single : A 62 ASN : amide:sc= -2.56 K(o=-2.6,f=-0.58) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ -148:sc= 1.24 (180deg=0.875) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= -0.0063 X(o=-0.0063,f=0) USER MOD Single : A 77 ASN : amide:sc= 1.1 K(o=1.1,f=-0.037) USER MOD Single : A 78 THR OG1 : rot 60:sc= 1.26 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.37) USER MOD Single : A 86 ASN : amide:sc= 0.49 X(o=0.49,f=0) USER MOD Single : A 88 HIS : no HD1:sc= -0.212 X(o=-0.21,f=-0.0017) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -163:sc= -0.0429 (180deg=-0.375) USER MOD Single : A 93 LYS NZ :NH3+ 169:sc= 0.173 (180deg=-0.354!) USER MOD Single : A 94 CYS SG : rot 118:sc= 0.37 USER MOD Single : A 95 HIS : no HE2:sc= 0.774 K(o=0.77,f=-4.4!) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.0111 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -164:sc= -0.014 (180deg=-0.22) USER MOD ----------------------------------------------------------------- ATOM 358 N CYS A 24 0.476 15.465 -24.952 1.00 1.24 N ATOM 359 CA CYS A 24 0.085 16.037 -26.234 1.00 0.95 C ATOM 360 C CYS A 24 -0.457 14.961 -27.166 1.00 0.84 C ATOM 361 O CYS A 24 0.297 14.128 -27.672 1.00 0.77 O ATOM 362 CB CYS A 24 1.276 16.742 -26.884 1.00 0.99 C ATOM 363 SG CYS A 24 1.969 18.082 -25.890 1.00 1.71 S ATOM 0 HA CYS A 24 -0.705 16.766 -26.054 1.00 0.95 H new ATOM 0 HB2 CYS A 24 2.057 16.007 -27.080 1.00 0.99 H new ATOM 0 HB3 CYS A 24 0.966 17.142 -27.849 1.00 0.99 H new ATOM 0 HG CYS A 24 2.972 18.616 -26.521 1.00 1.71 H new ATOM 369 N ILE A 25 -1.769 14.988 -27.385 1.00 0.89 N ATOM 370 CA ILE A 25 -2.436 14.001 -28.229 1.00 0.88 C ATOM 371 C ILE A 25 -1.870 14.025 -29.651 1.00 0.74 C ATOM 372 O ILE A 25 -1.827 13.001 -30.332 1.00 0.71 O ATOM 373 CB ILE A 25 -3.970 14.230 -28.257 1.00 1.05 C ATOM 374 CG1 ILE A 25 -4.677 13.096 -29.007 1.00 1.11 C ATOM 375 CG2 ILE A 25 -4.313 15.577 -28.881 1.00 1.09 C ATOM 376 CD1 ILE A 25 -4.548 11.749 -28.327 1.00 1.37 C ATOM 0 H ILE A 25 -2.395 15.688 -26.986 1.00 0.89 H new ATOM 0 HA ILE A 25 -2.246 13.018 -27.797 1.00 0.88 H new ATOM 0 HB ILE A 25 -4.324 14.234 -27.226 1.00 1.05 H new ATOM 0 HG12 ILE A 25 -5.734 13.343 -29.110 1.00 1.11 H new ATOM 0 HG13 ILE A 25 -4.267 13.026 -30.014 1.00 1.11 H new ATOM 0 HG21 ILE A 25 -5.395 15.710 -28.887 1.00 1.09 H new ATOM 0 HG22 ILE A 25 -3.852 16.375 -28.299 1.00 1.09 H new ATOM 0 HG23 ILE A 25 -3.937 15.610 -29.904 1.00 1.09 H new ATOM 0 HD11 ILE A 25 -5.072 10.994 -28.913 1.00 1.37 H new ATOM 0 HD12 ILE A 25 -3.495 11.481 -28.248 1.00 1.37 H new ATOM 0 HD13 ILE A 25 -4.984 11.802 -27.330 1.00 1.37 H new ATOM 388 N GLN A 26 -1.409 15.197 -30.080 1.00 0.69 N ATOM 389 CA GLN A 26 -0.802 15.351 -31.396 1.00 0.64 C ATOM 390 C GLN A 26 0.428 14.458 -31.523 1.00 0.56 C ATOM 391 O GLN A 26 0.622 13.790 -32.537 1.00 0.59 O ATOM 392 CB GLN A 26 -0.417 16.813 -31.627 1.00 0.70 C ATOM 393 CG GLN A 26 0.153 17.088 -33.010 1.00 0.80 C ATOM 394 CD GLN A 26 0.567 18.535 -33.188 1.00 1.23 C ATOM 395 OE1 GLN A 26 0.965 19.199 -32.234 1.00 1.75 O ATOM 396 NE2 GLN A 26 0.471 19.031 -34.411 1.00 1.54 N ATOM 0 H GLN A 26 -1.445 16.056 -29.532 1.00 0.69 H new ATOM 0 HA GLN A 26 -1.528 15.052 -32.152 1.00 0.64 H new ATOM 0 HB2 GLN A 26 -1.297 17.439 -31.476 1.00 0.70 H new ATOM 0 HB3 GLN A 26 0.317 17.108 -30.877 1.00 0.70 H new ATOM 0 HG2 GLN A 26 1.015 16.443 -33.179 1.00 0.80 H new ATOM 0 HG3 GLN A 26 -0.591 16.830 -33.764 1.00 0.80 H new ATOM 0 HE21 GLN A 26 0.135 18.444 -35.175 1.00 1.54 H new ATOM 0 HE22 GLN A 26 0.733 20.000 -34.590 1.00 1.54 H new ATOM 405 N LYS A 27 1.242 14.438 -30.475 1.00 0.56 N ATOM 406 CA LYS A 27 2.452 13.629 -30.457 1.00 0.60 C ATOM 407 C LYS A 27 2.110 12.139 -30.444 1.00 0.58 C ATOM 408 O LYS A 27 2.795 11.338 -31.074 1.00 0.58 O ATOM 409 CB LYS A 27 3.317 13.995 -29.245 1.00 0.75 C ATOM 410 CG LYS A 27 4.496 13.058 -29.019 1.00 1.27 C ATOM 411 CD LYS A 27 5.414 12.997 -30.229 1.00 1.53 C ATOM 412 CE LYS A 27 6.343 11.798 -30.154 1.00 1.93 C ATOM 413 NZ LYS A 27 7.116 11.610 -31.407 1.00 2.50 N ATOM 0 H LYS A 27 1.084 14.976 -29.623 1.00 0.56 H new ATOM 0 HA LYS A 27 3.018 13.837 -31.365 1.00 0.60 H new ATOM 0 HB2 LYS A 27 3.692 15.010 -29.373 1.00 0.75 H new ATOM 0 HB3 LYS A 27 2.691 13.997 -28.352 1.00 0.75 H new ATOM 0 HG2 LYS A 27 5.063 13.392 -28.150 1.00 1.27 H new ATOM 0 HG3 LYS A 27 4.126 12.058 -28.793 1.00 1.27 H new ATOM 0 HD2 LYS A 27 4.817 12.941 -31.139 1.00 1.53 H new ATOM 0 HD3 LYS A 27 6.002 13.913 -30.289 1.00 1.53 H new ATOM 0 HE2 LYS A 27 7.032 11.926 -29.319 1.00 1.93 H new ATOM 0 HE3 LYS A 27 5.759 10.900 -29.951 1.00 1.93 H new ATOM 0 HZ1 LYS A 27 7.118 10.603 -31.666 1.00 2.50 H new ATOM 0 HZ2 LYS A 27 6.678 12.163 -32.171 1.00 2.50 H new ATOM 0 HZ3 LYS A 27 8.094 11.933 -31.263 1.00 2.50 H new ATOM 427 N VAL A 28 1.046 11.780 -29.735 1.00 0.62 N ATOM 428 CA VAL A 28 0.607 10.390 -29.667 1.00 0.68 C ATOM 429 C VAL A 28 0.314 9.850 -31.066 1.00 0.62 C ATOM 430 O VAL A 28 0.837 8.811 -31.468 1.00 0.62 O ATOM 431 CB VAL A 28 -0.652 10.239 -28.783 1.00 0.77 C ATOM 432 CG1 VAL A 28 -1.080 8.783 -28.694 1.00 1.03 C ATOM 433 CG2 VAL A 28 -0.405 10.809 -27.394 1.00 1.04 C ATOM 0 H VAL A 28 0.472 12.431 -29.199 1.00 0.62 H new ATOM 0 HA VAL A 28 1.417 9.814 -29.219 1.00 0.68 H new ATOM 0 HB VAL A 28 -1.460 10.803 -29.248 1.00 0.77 H new ATOM 0 HG11 VAL A 28 -1.968 8.702 -28.067 1.00 1.03 H new ATOM 0 HG12 VAL A 28 -1.306 8.408 -29.692 1.00 1.03 H new ATOM 0 HG13 VAL A 28 -0.274 8.193 -28.259 1.00 1.03 H new ATOM 0 HG21 VAL A 28 -1.303 10.693 -26.788 1.00 1.04 H new ATOM 0 HG22 VAL A 28 0.421 10.276 -26.924 1.00 1.04 H new ATOM 0 HG23 VAL A 28 -0.156 11.867 -27.474 1.00 1.04 H new ATOM 443 N ILE A 29 -0.512 10.581 -31.807 1.00 0.60 N ATOM 444 CA ILE A 29 -0.864 10.202 -33.174 1.00 0.57 C ATOM 445 C ILE A 29 0.371 10.241 -34.077 1.00 0.52 C ATOM 446 O ILE A 29 0.642 9.291 -34.810 1.00 0.51 O ATOM 447 CB ILE A 29 -1.987 11.114 -33.746 1.00 0.62 C ATOM 448 CG1 ILE A 29 -3.372 10.643 -33.276 1.00 0.75 C ATOM 449 CG2 ILE A 29 -1.944 11.161 -35.270 1.00 0.67 C ATOM 450 CD1 ILE A 29 -3.591 10.729 -31.782 1.00 0.79 C ATOM 0 H ILE A 29 -0.952 11.442 -31.484 1.00 0.60 H new ATOM 0 HA ILE A 29 -1.246 9.181 -33.148 1.00 0.57 H new ATOM 0 HB ILE A 29 -1.810 12.120 -33.366 1.00 0.62 H new ATOM 0 HG12 ILE A 29 -4.134 11.240 -33.777 1.00 0.75 H new ATOM 0 HG13 ILE A 29 -3.517 9.610 -33.593 1.00 0.75 H new ATOM 0 HG21 ILE A 29 -2.742 11.807 -35.637 1.00 0.67 H new ATOM 0 HG22 ILE A 29 -0.981 11.554 -35.595 1.00 0.67 H new ATOM 0 HG23 ILE A 29 -2.079 10.156 -35.669 1.00 0.67 H new ATOM 0 HD11 ILE A 29 -4.594 10.377 -31.540 1.00 0.79 H new ATOM 0 HD12 ILE A 29 -2.855 10.109 -31.270 1.00 0.79 H new ATOM 0 HD13 ILE A 29 -3.482 11.764 -31.457 1.00 0.79 H new ATOM 462 N GLU A 30 1.134 11.331 -33.985 1.00 0.53 N ATOM 463 CA GLU A 30 2.330 11.507 -34.805 1.00 0.55 C ATOM 464 C GLU A 30 3.279 10.328 -34.641 1.00 0.55 C ATOM 465 O GLU A 30 3.675 9.704 -35.620 1.00 0.58 O ATOM 466 CB GLU A 30 3.031 12.822 -34.428 1.00 0.64 C ATOM 467 CG GLU A 30 4.298 13.137 -35.226 1.00 0.99 C ATOM 468 CD GLU A 30 5.537 12.427 -34.702 1.00 1.49 C ATOM 469 OE1 GLU A 30 5.778 12.468 -33.477 1.00 2.20 O ATOM 470 OE2 GLU A 30 6.276 11.824 -35.509 1.00 1.84 O ATOM 0 H GLU A 30 0.943 12.106 -33.349 1.00 0.53 H new ATOM 0 HA GLU A 30 2.031 11.552 -35.852 1.00 0.55 H new ATOM 0 HB2 GLU A 30 2.325 13.642 -34.559 1.00 0.64 H new ATOM 0 HB3 GLU A 30 3.287 12.788 -33.369 1.00 0.64 H new ATOM 0 HG2 GLU A 30 4.141 12.856 -36.267 1.00 0.99 H new ATOM 0 HG3 GLU A 30 4.471 14.213 -35.209 1.00 0.99 H new ATOM 477 N ASP A 31 3.601 10.003 -33.396 1.00 0.57 N ATOM 478 CA ASP A 31 4.584 8.968 -33.110 1.00 0.64 C ATOM 479 C ASP A 31 4.082 7.600 -33.558 1.00 0.57 C ATOM 480 O ASP A 31 4.869 6.747 -33.968 1.00 0.61 O ATOM 481 CB ASP A 31 4.910 8.945 -31.615 1.00 0.80 C ATOM 482 CG ASP A 31 6.190 8.195 -31.301 1.00 1.05 C ATOM 483 OD1 ASP A 31 7.282 8.794 -31.430 1.00 1.17 O ATOM 484 OD2 ASP A 31 6.115 7.012 -30.915 1.00 1.67 O ATOM 0 H ASP A 31 3.196 10.441 -32.569 1.00 0.57 H new ATOM 0 HA ASP A 31 5.491 9.199 -33.668 1.00 0.64 H new ATOM 0 HB2 ASP A 31 4.996 9.969 -31.251 1.00 0.80 H new ATOM 0 HB3 ASP A 31 4.083 8.484 -31.075 1.00 0.80 H new ATOM 489 N LYS A 32 2.770 7.405 -33.509 1.00 0.53 N ATOM 490 CA LYS A 32 2.180 6.127 -33.882 1.00 0.55 C ATOM 491 C LYS A 32 2.286 5.886 -35.388 1.00 0.48 C ATOM 492 O LYS A 32 2.851 4.877 -35.820 1.00 0.52 O ATOM 493 CB LYS A 32 0.715 6.064 -33.438 1.00 0.67 C ATOM 494 CG LYS A 32 0.060 4.717 -33.702 1.00 0.97 C ATOM 495 CD LYS A 32 0.811 3.593 -33.004 1.00 1.09 C ATOM 496 CE LYS A 32 0.255 2.232 -33.385 1.00 1.51 C ATOM 497 NZ LYS A 32 1.025 1.122 -32.760 1.00 2.03 N ATOM 0 H LYS A 32 2.097 8.113 -33.216 1.00 0.53 H new ATOM 0 HA LYS A 32 2.738 5.341 -33.373 1.00 0.55 H new ATOM 0 HB2 LYS A 32 0.656 6.285 -32.372 1.00 0.67 H new ATOM 0 HB3 LYS A 32 0.153 6.841 -33.956 1.00 0.67 H new ATOM 0 HG2 LYS A 32 -0.973 4.738 -33.355 1.00 0.97 H new ATOM 0 HG3 LYS A 32 0.032 4.528 -34.775 1.00 0.97 H new ATOM 0 HD2 LYS A 32 1.868 3.642 -33.267 1.00 1.09 H new ATOM 0 HD3 LYS A 32 0.744 3.725 -31.924 1.00 1.09 H new ATOM 0 HE2 LYS A 32 -0.789 2.168 -33.078 1.00 1.51 H new ATOM 0 HE3 LYS A 32 0.275 2.122 -34.469 1.00 1.51 H new ATOM 0 HZ1 LYS A 32 0.613 0.210 -33.045 1.00 2.03 H new ATOM 0 HZ2 LYS A 32 2.016 1.168 -33.073 1.00 2.03 H new ATOM 0 HZ3 LYS A 32 0.985 1.211 -31.725 1.00 2.03 H new ATOM 511 N LEU A 33 1.773 6.815 -36.187 1.00 0.44 N ATOM 512 CA LEU A 33 1.800 6.654 -37.638 1.00 0.44 C ATOM 513 C LEU A 33 3.218 6.816 -38.185 1.00 0.46 C ATOM 514 O LEU A 33 3.556 6.253 -39.228 1.00 0.51 O ATOM 515 CB LEU A 33 0.814 7.615 -38.334 1.00 0.47 C ATOM 516 CG LEU A 33 0.924 9.107 -37.978 1.00 0.48 C ATOM 517 CD1 LEU A 33 2.094 9.772 -38.690 1.00 0.57 C ATOM 518 CD2 LEU A 33 -0.374 9.820 -38.323 1.00 0.55 C ATOM 0 H LEU A 33 1.338 7.678 -35.861 1.00 0.44 H new ATOM 0 HA LEU A 33 1.473 5.638 -37.862 1.00 0.44 H new ATOM 0 HB2 LEU A 33 0.945 7.513 -39.411 1.00 0.47 H new ATOM 0 HB3 LEU A 33 -0.199 7.286 -38.104 1.00 0.47 H new ATOM 0 HG LEU A 33 1.105 9.182 -36.906 1.00 0.48 H new ATOM 0 HD11 LEU A 33 2.138 10.825 -38.412 1.00 0.57 H new ATOM 0 HD12 LEU A 33 3.023 9.281 -38.400 1.00 0.57 H new ATOM 0 HD13 LEU A 33 1.960 9.686 -39.768 1.00 0.57 H new ATOM 0 HD21 LEU A 33 -0.288 10.876 -38.068 1.00 0.55 H new ATOM 0 HD22 LEU A 33 -0.572 9.719 -39.390 1.00 0.55 H new ATOM 0 HD23 LEU A 33 -1.194 9.376 -37.759 1.00 0.55 H new ATOM 530 N SER A 34 4.050 7.565 -37.471 1.00 0.47 N ATOM 531 CA SER A 34 5.438 7.761 -37.872 1.00 0.53 C ATOM 532 C SER A 34 6.204 6.448 -37.769 1.00 0.54 C ATOM 533 O SER A 34 6.973 6.094 -38.659 1.00 0.59 O ATOM 534 CB SER A 34 6.096 8.833 -36.998 1.00 0.60 C ATOM 535 OG SER A 34 7.337 9.255 -37.531 1.00 1.29 O ATOM 0 H SER A 34 3.788 8.047 -36.611 1.00 0.47 H new ATOM 0 HA SER A 34 5.460 8.097 -38.909 1.00 0.53 H new ATOM 0 HB2 SER A 34 5.428 9.690 -36.909 1.00 0.60 H new ATOM 0 HB3 SER A 34 6.247 8.440 -35.992 1.00 0.60 H new ATOM 0 HG SER A 34 7.727 9.940 -36.949 1.00 1.29 H new ATOM 541 N SER A 35 5.962 5.710 -36.692 1.00 0.55 N ATOM 542 CA SER A 35 6.621 4.428 -36.482 1.00 0.62 C ATOM 543 C SER A 35 6.083 3.369 -37.448 1.00 0.59 C ATOM 544 O SER A 35 6.781 2.419 -37.804 1.00 0.65 O ATOM 545 CB SER A 35 6.420 3.969 -35.033 1.00 0.72 C ATOM 546 OG SER A 35 6.874 4.956 -34.119 1.00 0.78 O ATOM 0 H SER A 35 5.314 5.978 -35.951 1.00 0.55 H new ATOM 0 HA SER A 35 7.686 4.554 -36.676 1.00 0.62 H new ATOM 0 HB2 SER A 35 5.364 3.763 -34.856 1.00 0.72 H new ATOM 0 HB3 SER A 35 6.959 3.037 -34.865 1.00 0.72 H new ATOM 0 HG SER A 35 6.187 5.648 -34.016 1.00 0.78 H new ATOM 552 N ALA A 36 4.838 3.547 -37.877 1.00 0.54 N ATOM 553 CA ALA A 36 4.190 2.596 -38.775 1.00 0.57 C ATOM 554 C ALA A 36 4.611 2.816 -40.226 1.00 0.51 C ATOM 555 O ALA A 36 5.044 1.881 -40.903 1.00 0.52 O ATOM 556 CB ALA A 36 2.676 2.697 -38.640 1.00 0.64 C ATOM 0 H ALA A 36 4.256 4.343 -37.617 1.00 0.54 H new ATOM 0 HA ALA A 36 4.509 1.594 -38.488 1.00 0.57 H new ATOM 0 HB1 ALA A 36 2.202 1.983 -39.314 1.00 0.64 H new ATOM 0 HB2 ALA A 36 2.387 2.473 -37.613 1.00 0.64 H new ATOM 0 HB3 ALA A 36 2.354 3.707 -38.896 1.00 0.64 H new ATOM 562 N LEU A 37 4.487 4.050 -40.698 1.00 0.50 N ATOM 563 CA LEU A 37 4.780 4.364 -42.094 1.00 0.53 C ATOM 564 C LEU A 37 6.272 4.598 -42.306 1.00 0.52 C ATOM 565 O LEU A 37 6.848 4.129 -43.289 1.00 0.62 O ATOM 566 CB LEU A 37 3.997 5.607 -42.530 1.00 0.57 C ATOM 567 CG LEU A 37 2.477 5.512 -42.373 1.00 0.70 C ATOM 568 CD1 LEU A 37 1.822 6.834 -42.741 1.00 0.86 C ATOM 569 CD2 LEU A 37 1.921 4.386 -43.231 1.00 0.94 C ATOM 0 H LEU A 37 4.187 4.848 -40.139 1.00 0.50 H new ATOM 0 HA LEU A 37 4.476 3.510 -42.700 1.00 0.53 H new ATOM 0 HB2 LEU A 37 4.353 6.461 -41.953 1.00 0.57 H new ATOM 0 HB3 LEU A 37 4.225 5.812 -43.576 1.00 0.57 H new ATOM 0 HG LEU A 37 2.251 5.293 -41.329 1.00 0.70 H new ATOM 0 HD11 LEU A 37 0.742 6.750 -42.624 1.00 0.86 H new ATOM 0 HD12 LEU A 37 2.198 7.621 -42.087 1.00 0.86 H new ATOM 0 HD13 LEU A 37 2.057 7.081 -43.776 1.00 0.86 H new ATOM 0 HD21 LEU A 37 0.839 4.334 -43.106 1.00 0.94 H new ATOM 0 HD22 LEU A 37 2.157 4.576 -44.278 1.00 0.94 H new ATOM 0 HD23 LEU A 37 2.368 3.440 -42.924 1.00 0.94 H new ATOM 581 N LYS A 38 6.881 5.318 -41.364 1.00 0.47 N ATOM 582 CA LYS A 38 8.282 5.732 -41.452 1.00 0.52 C ATOM 583 C LYS A 38 8.548 6.535 -42.724 1.00 0.47 C ATOM 584 O LYS A 38 8.959 5.998 -43.755 1.00 0.54 O ATOM 585 CB LYS A 38 9.229 4.531 -41.338 1.00 0.70 C ATOM 586 CG LYS A 38 9.256 3.937 -39.940 1.00 1.32 C ATOM 587 CD LYS A 38 10.298 2.841 -39.799 1.00 1.93 C ATOM 588 CE LYS A 38 10.437 2.412 -38.347 1.00 2.67 C ATOM 589 NZ LYS A 38 11.456 1.344 -38.165 1.00 3.36 N ATOM 0 H LYS A 38 6.414 5.632 -40.513 1.00 0.47 H new ATOM 0 HA LYS A 38 8.483 6.388 -40.605 1.00 0.52 H new ATOM 0 HB2 LYS A 38 8.923 3.763 -42.049 1.00 0.70 H new ATOM 0 HB3 LYS A 38 10.236 4.840 -41.617 1.00 0.70 H new ATOM 0 HG2 LYS A 38 9.462 4.726 -39.216 1.00 1.32 H new ATOM 0 HG3 LYS A 38 8.272 3.533 -39.700 1.00 1.32 H new ATOM 0 HD2 LYS A 38 10.016 1.984 -40.411 1.00 1.93 H new ATOM 0 HD3 LYS A 38 11.259 3.196 -40.172 1.00 1.93 H new ATOM 0 HE2 LYS A 38 10.708 3.276 -37.740 1.00 2.67 H new ATOM 0 HE3 LYS A 38 9.473 2.056 -37.982 1.00 2.67 H new ATOM 0 HZ1 LYS A 38 11.513 1.086 -37.159 1.00 3.36 H new ATOM 0 HZ2 LYS A 38 11.186 0.508 -38.722 1.00 3.36 H new ATOM 0 HZ3 LYS A 38 12.383 1.690 -38.487 1.00 3.36 H new ATOM 603 N PRO A 39 8.268 7.844 -42.669 1.00 0.46 N ATOM 604 CA PRO A 39 8.463 8.747 -43.787 1.00 0.47 C ATOM 605 C PRO A 39 9.832 9.421 -43.777 1.00 0.51 C ATOM 606 O PRO A 39 10.432 9.624 -42.722 1.00 0.63 O ATOM 607 CB PRO A 39 7.353 9.774 -43.572 1.00 0.50 C ATOM 608 CG PRO A 39 7.115 9.805 -42.092 1.00 0.54 C ATOM 609 CD PRO A 39 7.716 8.550 -41.502 1.00 0.52 C ATOM 0 HA PRO A 39 8.425 8.233 -44.747 1.00 0.47 H new ATOM 0 HB2 PRO A 39 7.650 10.755 -43.942 1.00 0.50 H new ATOM 0 HB3 PRO A 39 6.448 9.491 -44.109 1.00 0.50 H new ATOM 0 HG2 PRO A 39 7.571 10.691 -41.650 1.00 0.54 H new ATOM 0 HG3 PRO A 39 6.047 9.855 -41.878 1.00 0.54 H new ATOM 0 HD2 PRO A 39 8.491 8.783 -40.772 1.00 0.52 H new ATOM 0 HD3 PRO A 39 6.965 7.949 -40.989 1.00 0.52 H new ATOM 617 N THR A 40 10.320 9.761 -44.961 1.00 0.52 N ATOM 618 CA THR A 40 11.566 10.495 -45.091 1.00 0.61 C ATOM 619 C THR A 40 11.340 11.969 -44.759 1.00 0.62 C ATOM 620 O THR A 40 12.253 12.679 -44.334 1.00 0.73 O ATOM 621 CB THR A 40 12.141 10.349 -46.515 1.00 0.67 C ATOM 622 OG1 THR A 40 11.098 10.514 -47.488 1.00 0.70 O ATOM 623 CG2 THR A 40 12.793 8.987 -46.703 1.00 0.71 C ATOM 0 H THR A 40 9.868 9.538 -45.848 1.00 0.52 H new ATOM 0 HA THR A 40 12.288 10.079 -44.388 1.00 0.61 H new ATOM 0 HB THR A 40 12.897 11.122 -46.652 1.00 0.67 H new ATOM 0 HG1 THR A 40 11.473 10.421 -48.389 1.00 0.70 H new ATOM 0 HG21 THR A 40 13.190 8.910 -47.715 1.00 0.71 H new ATOM 0 HG22 THR A 40 13.605 8.870 -45.985 1.00 0.71 H new ATOM 0 HG23 THR A 40 12.052 8.204 -46.544 1.00 0.71 H new ATOM 631 N PHE A 41 10.111 12.418 -44.977 1.00 0.54 N ATOM 632 CA PHE A 41 9.686 13.753 -44.599 1.00 0.55 C ATOM 633 C PHE A 41 8.255 13.692 -44.081 1.00 0.48 C ATOM 634 O PHE A 41 7.400 13.058 -44.697 1.00 0.45 O ATOM 635 CB PHE A 41 9.788 14.713 -45.791 1.00 0.57 C ATOM 636 CG PHE A 41 9.348 16.112 -45.471 1.00 0.62 C ATOM 637 CD1 PHE A 41 10.153 16.948 -44.716 1.00 0.69 C ATOM 638 CD2 PHE A 41 8.130 16.590 -45.924 1.00 0.62 C ATOM 639 CE1 PHE A 41 9.752 18.235 -44.418 1.00 0.76 C ATOM 640 CE2 PHE A 41 7.721 17.875 -45.629 1.00 0.70 C ATOM 641 CZ PHE A 41 8.533 18.700 -44.875 1.00 0.75 C ATOM 0 H PHE A 41 9.381 11.862 -45.423 1.00 0.54 H new ATOM 0 HA PHE A 41 10.340 14.130 -43.813 1.00 0.55 H new ATOM 0 HB2 PHE A 41 10.820 14.736 -46.142 1.00 0.57 H new ATOM 0 HB3 PHE A 41 9.181 14.328 -46.611 1.00 0.57 H new ATOM 0 HD1 PHE A 41 11.106 16.589 -44.356 1.00 0.69 H new ATOM 0 HD2 PHE A 41 7.492 15.950 -46.515 1.00 0.62 H new ATOM 0 HE1 PHE A 41 10.390 18.877 -43.829 1.00 0.76 H new ATOM 0 HE2 PHE A 41 6.768 18.235 -45.987 1.00 0.70 H new ATOM 0 HZ PHE A 41 8.216 19.706 -44.643 1.00 0.75 H new ATOM 651 N LEU A 42 8.002 14.320 -42.948 1.00 0.50 N ATOM 652 CA LEU A 42 6.665 14.328 -42.367 1.00 0.48 C ATOM 653 C LEU A 42 6.370 15.682 -41.739 1.00 0.54 C ATOM 654 O LEU A 42 7.095 16.132 -40.853 1.00 0.64 O ATOM 655 CB LEU A 42 6.534 13.222 -41.314 1.00 0.53 C ATOM 656 CG LEU A 42 5.156 13.096 -40.655 1.00 0.60 C ATOM 657 CD1 LEU A 42 4.098 12.727 -41.682 1.00 1.03 C ATOM 658 CD2 LEU A 42 5.198 12.063 -39.538 1.00 1.55 C ATOM 0 H LEU A 42 8.701 14.832 -42.409 1.00 0.50 H new ATOM 0 HA LEU A 42 5.942 14.143 -43.162 1.00 0.48 H new ATOM 0 HB2 LEU A 42 6.782 12.269 -41.781 1.00 0.53 H new ATOM 0 HB3 LEU A 42 7.275 13.397 -40.534 1.00 0.53 H new ATOM 0 HG LEU A 42 4.890 14.063 -40.227 1.00 0.60 H new ATOM 0 HD11 LEU A 42 3.128 12.643 -41.191 1.00 1.03 H new ATOM 0 HD12 LEU A 42 4.051 13.500 -42.449 1.00 1.03 H new ATOM 0 HD13 LEU A 42 4.355 11.773 -42.143 1.00 1.03 H new ATOM 0 HD21 LEU A 42 4.213 11.984 -39.079 1.00 1.55 H new ATOM 0 HD22 LEU A 42 5.486 11.095 -39.948 1.00 1.55 H new ATOM 0 HD23 LEU A 42 5.925 12.369 -38.786 1.00 1.55 H new ATOM 670 N GLU A 43 5.316 16.334 -42.205 1.00 0.57 N ATOM 671 CA GLU A 43 4.919 17.617 -41.652 1.00 0.69 C ATOM 672 C GLU A 43 3.471 17.578 -41.182 1.00 0.60 C ATOM 673 O GLU A 43 2.550 17.380 -41.976 1.00 0.53 O ATOM 674 CB GLU A 43 5.112 18.742 -42.676 1.00 0.82 C ATOM 675 CG GLU A 43 4.699 20.110 -42.149 1.00 1.00 C ATOM 676 CD GLU A 43 5.016 21.241 -43.107 1.00 1.62 C ATOM 677 OE1 GLU A 43 4.249 21.450 -44.072 1.00 2.19 O ATOM 678 OE2 GLU A 43 6.029 21.939 -42.888 1.00 2.23 O ATOM 0 H GLU A 43 4.722 15.996 -42.963 1.00 0.57 H new ATOM 0 HA GLU A 43 5.559 17.820 -40.793 1.00 0.69 H new ATOM 0 HB2 GLU A 43 6.159 18.776 -42.975 1.00 0.82 H new ATOM 0 HB3 GLU A 43 4.532 18.514 -43.570 1.00 0.82 H new ATOM 0 HG2 GLU A 43 3.628 20.105 -41.945 1.00 1.00 H new ATOM 0 HG3 GLU A 43 5.204 20.294 -41.201 1.00 1.00 H new ATOM 685 N LEU A 44 3.279 17.740 -39.882 1.00 0.67 N ATOM 686 CA LEU A 44 1.947 17.852 -39.314 1.00 0.65 C ATOM 687 C LEU A 44 1.497 19.301 -39.382 1.00 0.64 C ATOM 688 O LEU A 44 2.095 20.174 -38.751 1.00 0.77 O ATOM 689 CB LEU A 44 1.916 17.364 -37.856 1.00 0.82 C ATOM 690 CG LEU A 44 1.924 15.843 -37.641 1.00 0.97 C ATOM 691 CD1 LEU A 44 0.732 15.198 -38.328 1.00 1.27 C ATOM 692 CD2 LEU A 44 3.226 15.221 -38.129 1.00 1.72 C ATOM 0 H LEU A 44 4.034 17.797 -39.198 1.00 0.67 H new ATOM 0 HA LEU A 44 1.270 17.222 -39.891 1.00 0.65 H new ATOM 0 HB2 LEU A 44 2.776 17.786 -37.337 1.00 0.82 H new ATOM 0 HB3 LEU A 44 1.024 17.771 -37.379 1.00 0.82 H new ATOM 0 HG LEU A 44 1.848 15.658 -36.569 1.00 0.97 H new ATOM 0 HD11 LEU A 44 0.756 14.121 -38.164 1.00 1.27 H new ATOM 0 HD12 LEU A 44 -0.191 15.607 -37.916 1.00 1.27 H new ATOM 0 HD13 LEU A 44 0.774 15.403 -39.398 1.00 1.27 H new ATOM 0 HD21 LEU A 44 3.200 14.144 -37.963 1.00 1.72 H new ATOM 0 HD22 LEU A 44 3.348 15.421 -39.194 1.00 1.72 H new ATOM 0 HD23 LEU A 44 4.063 15.652 -37.581 1.00 1.72 H new ATOM 704 N VAL A 45 0.457 19.559 -40.151 1.00 0.57 N ATOM 705 CA VAL A 45 -0.030 20.914 -40.331 1.00 0.63 C ATOM 706 C VAL A 45 -1.328 21.126 -39.564 1.00 0.60 C ATOM 707 O VAL A 45 -2.353 20.509 -39.869 1.00 0.56 O ATOM 708 CB VAL A 45 -0.259 21.239 -41.822 1.00 0.73 C ATOM 709 CG1 VAL A 45 -0.557 22.719 -42.012 1.00 1.08 C ATOM 710 CG2 VAL A 45 0.942 20.825 -42.661 1.00 0.90 C ATOM 0 H VAL A 45 -0.067 18.849 -40.661 1.00 0.57 H new ATOM 0 HA VAL A 45 0.735 21.586 -39.942 1.00 0.63 H new ATOM 0 HB VAL A 45 -1.123 20.668 -42.160 1.00 0.73 H new ATOM 0 HG11 VAL A 45 -0.715 22.925 -43.071 1.00 1.08 H new ATOM 0 HG12 VAL A 45 -1.454 22.984 -41.453 1.00 1.08 H new ATOM 0 HG13 VAL A 45 0.284 23.309 -41.649 1.00 1.08 H new ATOM 0 HG21 VAL A 45 0.755 21.065 -43.708 1.00 0.90 H new ATOM 0 HG22 VAL A 45 1.827 21.361 -42.319 1.00 0.90 H new ATOM 0 HG23 VAL A 45 1.105 19.752 -42.558 1.00 0.90 H new ATOM 720 N ASP A 46 -1.270 21.978 -38.551 1.00 0.76 N ATOM 721 CA ASP A 46 -2.459 22.349 -37.799 1.00 0.83 C ATOM 722 C ASP A 46 -3.340 23.263 -38.635 1.00 0.80 C ATOM 723 O ASP A 46 -3.005 24.428 -38.862 1.00 0.99 O ATOM 724 CB ASP A 46 -2.088 23.048 -36.488 1.00 1.16 C ATOM 725 CG ASP A 46 -3.309 23.534 -35.727 1.00 1.38 C ATOM 726 OD1 ASP A 46 -3.896 22.740 -34.967 1.00 1.83 O ATOM 727 OD2 ASP A 46 -3.684 24.716 -35.882 1.00 1.57 O ATOM 0 H ASP A 46 -0.411 22.426 -38.231 1.00 0.76 H new ATOM 0 HA ASP A 46 -3.005 21.436 -37.559 1.00 0.83 H new ATOM 0 HB2 ASP A 46 -1.522 22.360 -35.860 1.00 1.16 H new ATOM 0 HB3 ASP A 46 -1.436 23.895 -36.702 1.00 1.16 H new ATOM 732 N LYS A 47 -4.439 22.715 -39.122 1.00 0.81 N ATOM 733 CA LYS A 47 -5.406 23.479 -39.892 1.00 1.03 C ATOM 734 C LYS A 47 -6.809 23.190 -39.384 1.00 1.12 C ATOM 735 O LYS A 47 -7.403 22.165 -39.723 1.00 1.66 O ATOM 736 CB LYS A 47 -5.302 23.153 -41.389 1.00 1.36 C ATOM 737 CG LYS A 47 -4.037 23.692 -42.045 1.00 1.85 C ATOM 738 CD LYS A 47 -3.960 23.346 -43.527 1.00 2.14 C ATOM 739 CE LYS A 47 -3.783 21.852 -43.750 1.00 2.34 C ATOM 740 NZ LYS A 47 -3.572 21.518 -45.186 1.00 2.76 N ATOM 0 H LYS A 47 -4.686 21.733 -38.996 1.00 0.81 H new ATOM 0 HA LYS A 47 -5.189 24.540 -39.765 1.00 1.03 H new ATOM 0 HB2 LYS A 47 -5.336 22.071 -41.520 1.00 1.36 H new ATOM 0 HB3 LYS A 47 -6.171 23.564 -41.903 1.00 1.36 H new ATOM 0 HG2 LYS A 47 -4.002 24.775 -41.925 1.00 1.85 H new ATOM 0 HG3 LYS A 47 -3.164 23.286 -41.534 1.00 1.85 H new ATOM 0 HD2 LYS A 47 -4.868 23.683 -44.027 1.00 2.14 H new ATOM 0 HD3 LYS A 47 -3.128 23.883 -43.983 1.00 2.14 H new ATOM 0 HE2 LYS A 47 -2.932 21.498 -43.168 1.00 2.34 H new ATOM 0 HE3 LYS A 47 -4.663 21.325 -43.382 1.00 2.34 H new ATOM 0 HZ1 LYS A 47 -3.129 20.580 -45.263 1.00 2.76 H new ATOM 0 HZ2 LYS A 47 -4.488 21.510 -45.679 1.00 2.76 H new ATOM 0 HZ3 LYS A 47 -2.951 22.230 -45.621 1.00 2.76 H new ATOM 815 N SER A 54 -8.597 19.031 -35.927 1.00 1.25 N ATOM 816 CA SER A 54 -8.398 18.639 -37.310 1.00 1.00 C ATOM 817 C SER A 54 -6.945 18.859 -37.721 1.00 0.82 C ATOM 818 O SER A 54 -6.449 19.988 -37.714 1.00 0.89 O ATOM 819 CB SER A 54 -9.343 19.436 -38.212 1.00 1.14 C ATOM 820 OG SER A 54 -9.239 20.825 -37.951 1.00 1.71 O ATOM 0 HA SER A 54 -8.622 17.578 -37.417 1.00 1.00 H new ATOM 0 HB2 SER A 54 -9.106 19.240 -39.258 1.00 1.14 H new ATOM 0 HB3 SER A 54 -10.370 19.107 -38.051 1.00 1.14 H new ATOM 0 HG SER A 54 -8.616 21.232 -38.589 1.00 1.71 H new ATOM 826 N PHE A 55 -6.265 17.776 -38.066 1.00 0.67 N ATOM 827 CA PHE A 55 -4.861 17.842 -38.432 1.00 0.60 C ATOM 828 C PHE A 55 -4.641 17.228 -39.803 1.00 0.52 C ATOM 829 O PHE A 55 -5.214 16.187 -40.126 1.00 0.50 O ATOM 830 CB PHE A 55 -3.997 17.117 -37.394 1.00 0.67 C ATOM 831 CG PHE A 55 -4.035 17.745 -36.028 1.00 0.81 C ATOM 832 CD1 PHE A 55 -3.236 18.837 -35.732 1.00 0.86 C ATOM 833 CD2 PHE A 55 -4.865 17.240 -35.040 1.00 0.99 C ATOM 834 CE1 PHE A 55 -3.265 19.415 -34.478 1.00 1.03 C ATOM 835 CE2 PHE A 55 -4.899 17.813 -33.783 1.00 1.15 C ATOM 836 CZ PHE A 55 -4.098 18.903 -33.502 1.00 1.15 C ATOM 0 H PHE A 55 -6.666 16.839 -38.100 1.00 0.67 H new ATOM 0 HA PHE A 55 -4.568 18.891 -38.462 1.00 0.60 H new ATOM 0 HB2 PHE A 55 -4.330 16.082 -37.317 1.00 0.67 H new ATOM 0 HB3 PHE A 55 -2.965 17.095 -37.745 1.00 0.67 H new ATOM 0 HD1 PHE A 55 -2.583 19.241 -36.491 1.00 0.86 H new ATOM 0 HD2 PHE A 55 -5.493 16.388 -35.255 1.00 0.99 H new ATOM 0 HE1 PHE A 55 -2.637 20.266 -34.261 1.00 1.03 H new ATOM 0 HE2 PHE A 55 -5.550 17.410 -33.022 1.00 1.15 H new ATOM 0 HZ PHE A 55 -4.123 19.354 -32.521 1.00 1.15 H new ATOM 846 N ASP A 56 -3.820 17.885 -40.603 1.00 0.51 N ATOM 847 CA ASP A 56 -3.492 17.401 -41.934 1.00 0.52 C ATOM 848 C ASP A 56 -2.014 17.043 -41.995 1.00 0.50 C ATOM 849 O ASP A 56 -1.153 17.877 -41.708 1.00 0.55 O ATOM 850 CB ASP A 56 -3.837 18.466 -42.976 1.00 0.58 C ATOM 851 CG ASP A 56 -3.538 18.034 -44.397 1.00 0.64 C ATOM 852 OD1 ASP A 56 -3.681 16.837 -44.711 1.00 1.23 O ATOM 853 OD2 ASP A 56 -3.178 18.900 -45.216 1.00 1.35 O ATOM 0 H ASP A 56 -3.364 18.762 -40.352 1.00 0.51 H new ATOM 0 HA ASP A 56 -4.077 16.508 -42.152 1.00 0.52 H new ATOM 0 HB2 ASP A 56 -4.895 18.715 -42.894 1.00 0.58 H new ATOM 0 HB3 ASP A 56 -3.278 19.375 -42.755 1.00 0.58 H new ATOM 858 N ALA A 57 -1.722 15.798 -42.332 1.00 0.48 N ATOM 859 CA ALA A 57 -0.353 15.309 -42.301 1.00 0.48 C ATOM 860 C ALA A 57 0.217 15.132 -43.700 1.00 0.44 C ATOM 861 O ALA A 57 -0.264 14.308 -44.480 1.00 0.46 O ATOM 862 CB ALA A 57 -0.288 13.993 -41.543 1.00 0.51 C ATOM 0 H ALA A 57 -2.412 15.109 -42.630 1.00 0.48 H new ATOM 0 HA ALA A 57 0.253 16.056 -41.789 1.00 0.48 H new ATOM 0 HB1 ALA A 57 0.741 13.634 -41.525 1.00 0.51 H new ATOM 0 HB2 ALA A 57 -0.638 14.144 -40.522 1.00 0.51 H new ATOM 0 HB3 ALA A 57 -0.921 13.256 -42.038 1.00 0.51 H new ATOM 868 N VAL A 58 1.243 15.905 -44.012 1.00 0.42 N ATOM 869 CA VAL A 58 1.964 15.739 -45.261 1.00 0.41 C ATOM 870 C VAL A 58 2.998 14.632 -45.099 1.00 0.39 C ATOM 871 O VAL A 58 3.967 14.776 -44.348 1.00 0.41 O ATOM 872 CB VAL A 58 2.661 17.044 -45.708 1.00 0.48 C ATOM 873 CG1 VAL A 58 3.329 16.858 -47.063 1.00 0.51 C ATOM 874 CG2 VAL A 58 1.668 18.195 -45.754 1.00 0.55 C ATOM 0 H VAL A 58 1.595 16.654 -43.416 1.00 0.42 H new ATOM 0 HA VAL A 58 1.242 15.474 -46.034 1.00 0.41 H new ATOM 0 HB VAL A 58 3.432 17.287 -44.977 1.00 0.48 H new ATOM 0 HG11 VAL A 58 3.814 17.788 -47.360 1.00 0.51 H new ATOM 0 HG12 VAL A 58 4.074 16.065 -46.996 1.00 0.51 H new ATOM 0 HG13 VAL A 58 2.578 16.587 -47.805 1.00 0.51 H new ATOM 0 HG21 VAL A 58 2.179 19.104 -46.071 1.00 0.55 H new ATOM 0 HG22 VAL A 58 0.872 17.961 -46.461 1.00 0.55 H new ATOM 0 HG23 VAL A 58 1.240 18.346 -44.763 1.00 0.55 H new ATOM 884 N ILE A 59 2.777 13.523 -45.785 1.00 0.38 N ATOM 885 CA ILE A 59 3.622 12.354 -45.636 1.00 0.40 C ATOM 886 C ILE A 59 4.424 12.104 -46.913 1.00 0.44 C ATOM 887 O ILE A 59 3.871 11.840 -47.983 1.00 0.65 O ATOM 888 CB ILE A 59 2.781 11.108 -45.223 1.00 0.49 C ATOM 889 CG1 ILE A 59 3.660 9.851 -45.056 1.00 1.18 C ATOM 890 CG2 ILE A 59 1.646 10.857 -46.208 1.00 0.77 C ATOM 891 CD1 ILE A 59 3.900 9.062 -46.331 1.00 0.80 C ATOM 0 H ILE A 59 2.015 13.409 -46.453 1.00 0.38 H new ATOM 0 HA ILE A 59 4.335 12.541 -44.833 1.00 0.40 H new ATOM 0 HB ILE A 59 2.340 11.326 -44.250 1.00 0.49 H new ATOM 0 HG12 ILE A 59 4.624 10.152 -44.646 1.00 1.18 H new ATOM 0 HG13 ILE A 59 3.193 9.194 -44.322 1.00 1.18 H new ATOM 0 HG21 ILE A 59 1.078 9.982 -45.893 1.00 0.77 H new ATOM 0 HG22 ILE A 59 0.989 11.726 -46.235 1.00 0.77 H new ATOM 0 HG23 ILE A 59 2.059 10.683 -47.202 1.00 0.77 H new ATOM 0 HD11 ILE A 59 4.528 8.198 -46.112 1.00 0.80 H new ATOM 0 HD12 ILE A 59 2.946 8.724 -46.735 1.00 0.80 H new ATOM 0 HD13 ILE A 59 4.399 9.697 -47.063 1.00 0.80 H new ATOM 903 N VAL A 60 5.733 12.233 -46.785 1.00 0.39 N ATOM 904 CA VAL A 60 6.658 11.964 -47.873 1.00 0.42 C ATOM 905 C VAL A 60 7.524 10.762 -47.516 1.00 0.40 C ATOM 906 O VAL A 60 8.404 10.861 -46.662 1.00 0.44 O ATOM 907 CB VAL A 60 7.558 13.191 -48.142 1.00 0.51 C ATOM 908 CG1 VAL A 60 8.626 12.878 -49.175 1.00 0.58 C ATOM 909 CG2 VAL A 60 6.718 14.379 -48.587 1.00 0.58 C ATOM 0 H VAL A 60 6.186 12.528 -45.920 1.00 0.39 H new ATOM 0 HA VAL A 60 6.084 11.752 -48.775 1.00 0.42 H new ATOM 0 HB VAL A 60 8.061 13.447 -47.210 1.00 0.51 H new ATOM 0 HG11 VAL A 60 9.242 13.762 -49.341 1.00 0.58 H new ATOM 0 HG12 VAL A 60 9.252 12.062 -48.815 1.00 0.58 H new ATOM 0 HG13 VAL A 60 8.152 12.585 -50.112 1.00 0.58 H new ATOM 0 HG21 VAL A 60 7.367 15.235 -48.772 1.00 0.58 H new ATOM 0 HG22 VAL A 60 6.183 14.124 -49.502 1.00 0.58 H new ATOM 0 HG23 VAL A 60 6.001 14.630 -47.806 1.00 0.58 H new ATOM 919 N SER A 61 7.274 9.622 -48.147 1.00 0.39 N ATOM 920 CA SER A 61 7.971 8.398 -47.761 1.00 0.42 C ATOM 921 C SER A 61 8.229 7.466 -48.940 1.00 0.42 C ATOM 922 O SER A 61 7.498 7.470 -49.931 1.00 0.43 O ATOM 923 CB SER A 61 7.171 7.652 -46.687 1.00 0.45 C ATOM 924 OG SER A 61 7.805 6.430 -46.331 1.00 0.84 O ATOM 0 H SER A 61 6.609 9.517 -48.913 1.00 0.39 H new ATOM 0 HA SER A 61 8.941 8.702 -47.367 1.00 0.42 H new ATOM 0 HB2 SER A 61 7.067 8.282 -45.804 1.00 0.45 H new ATOM 0 HB3 SER A 61 6.165 7.450 -47.054 1.00 0.45 H new ATOM 0 HG SER A 61 7.990 6.426 -45.369 1.00 0.84 H new ATOM 930 N ASN A 62 9.288 6.664 -48.807 1.00 0.51 N ATOM 931 CA ASN A 62 9.602 5.603 -49.760 1.00 0.57 C ATOM 932 C ASN A 62 8.548 4.508 -49.705 1.00 0.56 C ATOM 933 O ASN A 62 8.374 3.752 -50.661 1.00 0.59 O ATOM 934 CB ASN A 62 10.979 4.999 -49.463 1.00 0.75 C ATOM 935 CG ASN A 62 12.126 5.904 -49.866 1.00 0.86 C ATOM 936 OD1 ASN A 62 13.139 5.987 -49.171 1.00 1.67 O ATOM 937 ND2 ASN A 62 11.996 6.559 -51.008 1.00 0.76 N ATOM 0 H ASN A 62 9.951 6.734 -48.035 1.00 0.51 H new ATOM 0 HA ASN A 62 9.613 6.041 -50.758 1.00 0.57 H new ATOM 0 HB2 ASN A 62 11.052 4.783 -48.397 1.00 0.75 H new ATOM 0 HB3 ASN A 62 11.073 4.048 -49.988 1.00 0.75 H new ATOM 0 HD21 ASN A 62 12.751 7.159 -51.341 1.00 0.76 H new ATOM 0 HD22 ASN A 62 11.141 6.464 -51.556 1.00 0.76 H new ATOM 944 N ASN A 63 7.839 4.436 -48.583 1.00 0.57 N ATOM 945 CA ASN A 63 6.786 3.441 -48.398 1.00 0.66 C ATOM 946 C ASN A 63 5.641 3.701 -49.372 1.00 0.67 C ATOM 947 O ASN A 63 4.892 2.795 -49.734 1.00 0.86 O ATOM 948 CB ASN A 63 6.286 3.465 -46.946 1.00 0.73 C ATOM 949 CG ASN A 63 5.205 2.434 -46.668 1.00 1.03 C ATOM 950 OD1 ASN A 63 5.495 1.266 -46.408 1.00 1.81 O ATOM 951 ND2 ASN A 63 3.952 2.863 -46.694 1.00 1.00 N ATOM 0 H ASN A 63 7.975 5.057 -47.785 1.00 0.57 H new ATOM 0 HA ASN A 63 7.192 2.450 -48.604 1.00 0.66 H new ATOM 0 HB2 ASN A 63 7.128 3.289 -46.276 1.00 0.73 H new ATOM 0 HB3 ASN A 63 5.899 4.458 -46.718 1.00 0.73 H new ATOM 0 HD21 ASN A 63 3.188 2.218 -46.494 1.00 1.00 H new ATOM 0 HD22 ASN A 63 3.751 3.839 -46.914 1.00 1.00 H new ATOM 958 N PHE A 64 5.533 4.948 -49.813 1.00 0.60 N ATOM 959 CA PHE A 64 4.508 5.341 -50.767 1.00 0.67 C ATOM 960 C PHE A 64 5.109 5.492 -52.165 1.00 0.60 C ATOM 961 O PHE A 64 4.395 5.720 -53.139 1.00 0.65 O ATOM 962 CB PHE A 64 3.844 6.651 -50.316 1.00 0.80 C ATOM 963 CG PHE A 64 2.786 7.159 -51.259 1.00 1.48 C ATOM 964 CD1 PHE A 64 1.599 6.465 -51.431 1.00 1.84 C ATOM 965 CD2 PHE A 64 2.988 8.323 -51.985 1.00 2.11 C ATOM 966 CE1 PHE A 64 0.634 6.924 -52.306 1.00 2.66 C ATOM 967 CE2 PHE A 64 2.028 8.784 -52.863 1.00 2.95 C ATOM 968 CZ PHE A 64 0.849 8.084 -53.024 1.00 3.19 C ATOM 0 H PHE A 64 6.148 5.708 -49.522 1.00 0.60 H new ATOM 0 HA PHE A 64 3.747 4.562 -50.807 1.00 0.67 H new ATOM 0 HB2 PHE A 64 3.398 6.500 -49.333 1.00 0.80 H new ATOM 0 HB3 PHE A 64 4.613 7.416 -50.203 1.00 0.80 H new ATOM 0 HD1 PHE A 64 1.427 5.555 -50.875 1.00 1.84 H new ATOM 0 HD2 PHE A 64 3.908 8.876 -51.862 1.00 2.11 H new ATOM 0 HE1 PHE A 64 -0.288 6.376 -52.429 1.00 2.66 H new ATOM 0 HE2 PHE A 64 2.199 9.691 -53.423 1.00 2.95 H new ATOM 0 HZ PHE A 64 0.096 8.443 -53.710 1.00 3.19 H new ATOM 978 N GLU A 65 6.422 5.311 -52.274 1.00 0.58 N ATOM 979 CA GLU A 65 7.112 5.529 -53.522 1.00 0.61 C ATOM 980 C GLU A 65 6.774 4.407 -54.495 1.00 0.65 C ATOM 981 O GLU A 65 6.643 4.634 -55.696 1.00 0.75 O ATOM 982 CB GLU A 65 8.616 5.644 -53.247 1.00 0.71 C ATOM 983 CG GLU A 65 9.489 4.931 -54.248 1.00 0.87 C ATOM 984 CD GLU A 65 9.494 5.589 -55.619 1.00 1.55 C ATOM 985 OE1 GLU A 65 9.728 6.810 -55.691 1.00 2.11 O ATOM 986 OE2 GLU A 65 9.244 4.890 -56.623 1.00 2.14 O ATOM 0 H GLU A 65 7.023 5.013 -51.505 1.00 0.58 H new ATOM 0 HA GLU A 65 6.790 6.461 -53.987 1.00 0.61 H new ATOM 0 HB2 GLU A 65 8.890 6.699 -53.230 1.00 0.71 H new ATOM 0 HB3 GLU A 65 8.823 5.245 -52.254 1.00 0.71 H new ATOM 0 HG2 GLU A 65 10.510 4.893 -53.867 1.00 0.87 H new ATOM 0 HG3 GLU A 65 9.148 3.901 -54.348 1.00 0.87 H new ATOM 993 N ASP A 66 6.567 3.210 -53.959 1.00 0.69 N ATOM 994 CA ASP A 66 6.172 2.066 -54.775 1.00 0.84 C ATOM 995 C ASP A 66 4.802 2.328 -55.402 1.00 0.80 C ATOM 996 O ASP A 66 4.389 1.641 -56.336 1.00 0.93 O ATOM 997 CB ASP A 66 6.143 0.787 -53.932 1.00 1.00 C ATOM 998 CG ASP A 66 6.364 -0.466 -54.762 1.00 1.40 C ATOM 999 OD1 ASP A 66 7.522 -0.728 -55.148 1.00 1.94 O ATOM 1000 OD2 ASP A 66 5.394 -1.204 -55.019 1.00 2.03 O ATOM 0 H ASP A 66 6.666 3.006 -52.965 1.00 0.69 H new ATOM 0 HA ASP A 66 6.905 1.929 -55.570 1.00 0.84 H new ATOM 0 HB2 ASP A 66 6.911 0.847 -53.161 1.00 1.00 H new ATOM 0 HB3 ASP A 66 5.183 0.715 -53.421 1.00 1.00 H new ATOM 1005 N LYS A 67 4.119 3.350 -54.871 1.00 0.78 N ATOM 1006 CA LYS A 67 2.852 3.839 -55.410 1.00 0.88 C ATOM 1007 C LYS A 67 1.763 2.774 -55.329 1.00 0.78 C ATOM 1008 O LYS A 67 1.055 2.500 -56.299 1.00 0.86 O ATOM 1009 CB LYS A 67 3.052 4.352 -56.843 1.00 1.17 C ATOM 1010 CG LYS A 67 3.828 5.666 -56.895 1.00 1.67 C ATOM 1011 CD LYS A 67 4.166 6.088 -58.319 1.00 2.00 C ATOM 1012 CE LYS A 67 5.378 5.343 -58.869 1.00 2.46 C ATOM 1013 NZ LYS A 67 6.644 5.715 -58.171 1.00 3.31 N ATOM 0 H LYS A 67 4.436 3.862 -54.048 1.00 0.78 H new ATOM 0 HA LYS A 67 2.513 4.675 -54.798 1.00 0.88 H new ATOM 0 HB2 LYS A 67 3.583 3.598 -57.424 1.00 1.17 H new ATOM 0 HB3 LYS A 67 2.079 4.490 -57.314 1.00 1.17 H new ATOM 0 HG2 LYS A 67 3.241 6.450 -56.417 1.00 1.67 H new ATOM 0 HG3 LYS A 67 4.749 5.563 -56.322 1.00 1.67 H new ATOM 0 HD2 LYS A 67 3.306 5.906 -58.964 1.00 2.00 H new ATOM 0 HD3 LYS A 67 4.360 7.160 -58.342 1.00 2.00 H new ATOM 0 HE2 LYS A 67 5.215 4.270 -58.772 1.00 2.46 H new ATOM 0 HE3 LYS A 67 5.478 5.555 -59.933 1.00 2.46 H new ATOM 0 HZ1 LYS A 67 7.439 5.657 -58.839 1.00 3.31 H new ATOM 0 HZ2 LYS A 67 6.568 6.686 -57.808 1.00 3.31 H new ATOM 0 HZ3 LYS A 67 6.809 5.061 -57.379 1.00 3.31 H new ATOM 1027 N LYS A 68 1.626 2.199 -54.142 1.00 0.83 N ATOM 1028 CA LYS A 68 0.625 1.176 -53.889 1.00 0.90 C ATOM 1029 C LYS A 68 -0.683 1.810 -53.430 1.00 0.82 C ATOM 1030 O LYS A 68 -0.851 2.123 -52.251 1.00 0.87 O ATOM 1031 CB LYS A 68 1.130 0.200 -52.825 1.00 1.16 C ATOM 1032 CG LYS A 68 2.501 -0.370 -53.137 1.00 1.35 C ATOM 1033 CD LYS A 68 2.485 -1.177 -54.423 1.00 1.37 C ATOM 1034 CE LYS A 68 1.819 -2.527 -54.233 1.00 1.55 C ATOM 1035 NZ LYS A 68 1.808 -3.316 -55.489 1.00 1.99 N ATOM 0 H LYS A 68 2.203 2.428 -53.333 1.00 0.83 H new ATOM 0 HA LYS A 68 0.444 0.633 -54.817 1.00 0.90 H new ATOM 0 HB2 LYS A 68 1.166 0.710 -51.862 1.00 1.16 H new ATOM 0 HB3 LYS A 68 0.418 -0.619 -52.725 1.00 1.16 H new ATOM 0 HG2 LYS A 68 3.223 0.442 -53.224 1.00 1.35 H new ATOM 0 HG3 LYS A 68 2.830 -1.003 -52.313 1.00 1.35 H new ATOM 0 HD2 LYS A 68 1.959 -0.618 -55.196 1.00 1.37 H new ATOM 0 HD3 LYS A 68 3.507 -1.322 -54.774 1.00 1.37 H new ATOM 0 HE2 LYS A 68 2.343 -3.085 -53.457 1.00 1.55 H new ATOM 0 HE3 LYS A 68 0.796 -2.382 -53.885 1.00 1.55 H new ATOM 0 HZ1 LYS A 68 1.345 -4.232 -55.320 1.00 1.99 H new ATOM 0 HZ2 LYS A 68 1.286 -2.794 -56.222 1.00 1.99 H new ATOM 0 HZ3 LYS A 68 2.785 -3.476 -55.807 1.00 1.99 H new ATOM 1049 N LEU A 69 -1.596 2.011 -54.374 1.00 0.84 N ATOM 1050 CA LEU A 69 -2.888 2.632 -54.092 1.00 0.91 C ATOM 1051 C LEU A 69 -3.645 1.889 -52.993 1.00 0.85 C ATOM 1052 O LEU A 69 -3.889 2.431 -51.914 1.00 0.83 O ATOM 1053 CB LEU A 69 -3.742 2.668 -55.361 1.00 1.16 C ATOM 1054 CG LEU A 69 -5.176 3.163 -55.159 1.00 1.63 C ATOM 1055 CD1 LEU A 69 -5.190 4.639 -54.800 1.00 1.97 C ATOM 1056 CD2 LEU A 69 -6.008 2.902 -56.400 1.00 2.33 C ATOM 0 H LEU A 69 -1.464 1.750 -55.351 1.00 0.84 H new ATOM 0 HA LEU A 69 -2.694 3.647 -53.746 1.00 0.91 H new ATOM 0 HB2 LEU A 69 -3.252 3.309 -56.093 1.00 1.16 H new ATOM 0 HB3 LEU A 69 -3.776 1.665 -55.787 1.00 1.16 H new ATOM 0 HG LEU A 69 -5.617 2.610 -54.330 1.00 1.63 H new ATOM 0 HD11 LEU A 69 -6.219 4.970 -54.661 1.00 1.97 H new ATOM 0 HD12 LEU A 69 -4.631 4.794 -53.877 1.00 1.97 H new ATOM 0 HD13 LEU A 69 -4.730 5.213 -55.604 1.00 1.97 H new ATOM 0 HD21 LEU A 69 -7.025 3.260 -56.238 1.00 2.33 H new ATOM 0 HD22 LEU A 69 -5.569 3.426 -57.249 1.00 2.33 H new ATOM 0 HD23 LEU A 69 -6.029 1.832 -56.606 1.00 2.33 H new ATOM 1068 N LEU A 70 -4.007 0.646 -53.270 1.00 0.89 N ATOM 1069 CA LEU A 70 -4.823 -0.134 -52.350 1.00 0.91 C ATOM 1070 C LEU A 70 -4.075 -0.427 -51.050 1.00 0.79 C ATOM 1071 O LEU A 70 -4.685 -0.502 -49.982 1.00 0.80 O ATOM 1072 CB LEU A 70 -5.363 -1.428 -53.016 1.00 1.06 C ATOM 1073 CG LEU A 70 -4.371 -2.560 -53.396 1.00 1.09 C ATOM 1074 CD1 LEU A 70 -3.149 -2.043 -54.140 1.00 1.03 C ATOM 1075 CD2 LEU A 70 -3.964 -3.373 -52.174 1.00 1.07 C ATOM 0 H LEU A 70 -3.749 0.154 -54.126 1.00 0.89 H new ATOM 0 HA LEU A 70 -5.691 0.472 -52.090 1.00 0.91 H new ATOM 0 HB2 LEU A 70 -6.106 -1.856 -52.344 1.00 1.06 H new ATOM 0 HB3 LEU A 70 -5.888 -1.134 -53.925 1.00 1.06 H new ATOM 0 HG LEU A 70 -4.902 -3.219 -54.083 1.00 1.09 H new ATOM 0 HD11 LEU A 70 -2.490 -2.877 -54.381 1.00 1.03 H new ATOM 0 HD12 LEU A 70 -3.464 -1.552 -55.061 1.00 1.03 H new ATOM 0 HD13 LEU A 70 -2.616 -1.329 -53.512 1.00 1.03 H new ATOM 0 HD21 LEU A 70 -3.269 -4.157 -52.474 1.00 1.07 H new ATOM 0 HD22 LEU A 70 -3.482 -2.720 -51.447 1.00 1.07 H new ATOM 0 HD23 LEU A 70 -4.849 -3.824 -51.726 1.00 1.07 H new ATOM 1087 N ASP A 71 -2.752 -0.550 -51.131 1.00 0.72 N ATOM 1088 CA ASP A 71 -1.955 -0.905 -49.961 1.00 0.70 C ATOM 1089 C ASP A 71 -1.837 0.254 -48.984 1.00 0.63 C ATOM 1090 O ASP A 71 -1.846 0.044 -47.774 1.00 0.63 O ATOM 1091 CB ASP A 71 -0.572 -1.417 -50.354 1.00 0.77 C ATOM 1092 CG ASP A 71 -0.634 -2.803 -50.963 1.00 1.25 C ATOM 1093 OD1 ASP A 71 -0.903 -3.774 -50.220 1.00 2.08 O ATOM 1094 OD2 ASP A 71 -0.438 -2.923 -52.189 1.00 1.58 O ATOM 0 H ASP A 71 -2.214 -0.410 -51.986 1.00 0.72 H new ATOM 0 HA ASP A 71 -2.484 -1.714 -49.458 1.00 0.70 H new ATOM 0 HB2 ASP A 71 -0.119 -0.728 -51.066 1.00 0.77 H new ATOM 0 HB3 ASP A 71 0.072 -1.435 -49.474 1.00 0.77 H new ATOM 1099 N ARG A 72 -1.739 1.480 -49.486 1.00 0.67 N ATOM 1100 CA ARG A 72 -1.720 2.632 -48.592 1.00 0.74 C ATOM 1101 C ARG A 72 -3.096 2.808 -47.965 1.00 0.67 C ATOM 1102 O ARG A 72 -3.220 3.228 -46.818 1.00 0.68 O ATOM 1103 CB ARG A 72 -1.298 3.924 -49.308 1.00 0.92 C ATOM 1104 CG ARG A 72 -2.284 4.420 -50.356 1.00 1.31 C ATOM 1105 CD ARG A 72 -2.172 5.923 -50.554 1.00 1.53 C ATOM 1106 NE ARG A 72 -3.000 6.403 -51.660 1.00 1.92 N ATOM 1107 CZ ARG A 72 -4.179 7.012 -51.506 1.00 2.22 C ATOM 1108 NH1 ARG A 72 -4.730 7.128 -50.301 1.00 2.39 N ATOM 1109 NH2 ARG A 72 -4.811 7.491 -52.569 1.00 2.93 N ATOM 0 H ARG A 72 -1.673 1.699 -50.480 1.00 0.67 H new ATOM 0 HA ARG A 72 -0.976 2.439 -47.819 1.00 0.74 H new ATOM 0 HB2 ARG A 72 -1.156 4.707 -48.563 1.00 0.92 H new ATOM 0 HB3 ARG A 72 -0.332 3.760 -49.786 1.00 0.92 H new ATOM 0 HG2 ARG A 72 -2.098 3.912 -51.302 1.00 1.31 H new ATOM 0 HG3 ARG A 72 -3.299 4.166 -50.052 1.00 1.31 H new ATOM 0 HD2 ARG A 72 -2.467 6.431 -49.636 1.00 1.53 H new ATOM 0 HD3 ARG A 72 -1.131 6.185 -50.743 1.00 1.53 H new ATOM 0 HE ARG A 72 -2.655 6.264 -52.610 1.00 1.92 H new ATOM 0 HH11 ARG A 72 -4.252 6.750 -49.483 1.00 2.39 H new ATOM 0 HH12 ARG A 72 -5.631 7.595 -50.195 1.00 2.39 H new ATOM 0 HH21 ARG A 72 -4.397 7.393 -53.496 1.00 2.93 H new ATOM 0 HH22 ARG A 72 -5.712 7.957 -52.460 1.00 2.93 H new ATOM 1123 N HIS A 73 -4.126 2.460 -48.729 1.00 0.68 N ATOM 1124 CA HIS A 73 -5.503 2.564 -48.269 1.00 0.71 C ATOM 1125 C HIS A 73 -5.743 1.610 -47.100 1.00 0.62 C ATOM 1126 O HIS A 73 -6.266 2.006 -46.056 1.00 0.62 O ATOM 1127 CB HIS A 73 -6.459 2.247 -49.427 1.00 0.82 C ATOM 1128 CG HIS A 73 -7.895 2.586 -49.160 1.00 0.93 C ATOM 1129 ND1 HIS A 73 -8.522 3.681 -49.715 1.00 1.11 N ATOM 1130 CD2 HIS A 73 -8.832 1.963 -48.408 1.00 1.00 C ATOM 1131 CE1 HIS A 73 -9.778 3.717 -49.316 1.00 1.21 C ATOM 1132 NE2 HIS A 73 -9.992 2.684 -48.523 1.00 1.15 N ATOM 0 H HIS A 73 -4.029 2.100 -49.679 1.00 0.68 H new ATOM 0 HA HIS A 73 -5.690 3.581 -47.925 1.00 0.71 H new ATOM 0 HB2 HIS A 73 -6.129 2.791 -50.312 1.00 0.82 H new ATOM 0 HB3 HIS A 73 -6.387 1.185 -49.660 1.00 0.82 H new ATOM 0 HD2 HIS A 73 -8.692 1.064 -47.825 1.00 1.00 H new ATOM 0 HE1 HIS A 73 -10.507 4.464 -49.591 1.00 1.21 H new ATOM 0 HE2 HIS A 73 -10.877 2.459 -48.069 1.00 1.15 H new ATOM 1141 N ARG A 74 -5.338 0.359 -47.281 1.00 0.60 N ATOM 1142 CA ARG A 74 -5.529 -0.670 -46.265 1.00 0.59 C ATOM 1143 C ARG A 74 -4.637 -0.426 -45.044 1.00 0.51 C ATOM 1144 O ARG A 74 -5.076 -0.599 -43.906 1.00 0.52 O ATOM 1145 CB ARG A 74 -5.256 -2.060 -46.858 1.00 0.68 C ATOM 1146 CG ARG A 74 -3.865 -2.205 -47.456 1.00 0.74 C ATOM 1147 CD ARG A 74 -3.659 -3.544 -48.145 1.00 0.86 C ATOM 1148 NE ARG A 74 -3.594 -4.652 -47.198 1.00 0.88 N ATOM 1149 CZ ARG A 74 -2.660 -5.603 -47.235 1.00 1.20 C ATOM 1150 NH1 ARG A 74 -1.688 -5.557 -48.148 1.00 1.67 N ATOM 1151 NH2 ARG A 74 -2.690 -6.596 -46.352 1.00 1.32 N ATOM 0 H ARG A 74 -4.872 0.031 -48.127 1.00 0.60 H new ATOM 0 HA ARG A 74 -6.566 -0.623 -45.933 1.00 0.59 H new ATOM 0 HB2 ARG A 74 -5.387 -2.810 -46.078 1.00 0.68 H new ATOM 0 HB3 ARG A 74 -5.997 -2.269 -47.629 1.00 0.68 H new ATOM 0 HG2 ARG A 74 -3.697 -1.402 -48.174 1.00 0.74 H new ATOM 0 HG3 ARG A 74 -3.121 -2.088 -46.668 1.00 0.74 H new ATOM 0 HD2 ARG A 74 -4.474 -3.717 -48.848 1.00 0.86 H new ATOM 0 HD3 ARG A 74 -2.738 -3.512 -48.727 1.00 0.86 H new ATOM 0 HE ARG A 74 -4.303 -4.702 -46.466 1.00 0.88 H new ATOM 0 HH11 ARG A 74 -1.657 -4.792 -48.822 1.00 1.67 H new ATOM 0 HH12 ARG A 74 -0.976 -6.287 -48.172 1.00 1.67 H new ATOM 0 HH21 ARG A 74 -3.427 -6.630 -45.647 1.00 1.32 H new ATOM 0 HH22 ARG A 74 -1.976 -7.324 -46.379 1.00 1.32 H new ATOM 1165 N LEU A 75 -3.395 -0.012 -45.283 1.00 0.47 N ATOM 1166 CA LEU A 75 -2.440 0.203 -44.203 1.00 0.46 C ATOM 1167 C LEU A 75 -2.895 1.347 -43.298 1.00 0.42 C ATOM 1168 O LEU A 75 -2.904 1.215 -42.070 1.00 0.42 O ATOM 1169 CB LEU A 75 -1.048 0.496 -44.771 1.00 0.51 C ATOM 1170 CG LEU A 75 0.076 0.565 -43.737 1.00 0.79 C ATOM 1171 CD1 LEU A 75 0.210 -0.760 -43.002 1.00 1.48 C ATOM 1172 CD2 LEU A 75 1.389 0.934 -44.408 1.00 1.36 C ATOM 0 H LEU A 75 -3.028 0.181 -46.215 1.00 0.47 H new ATOM 0 HA LEU A 75 -2.389 -0.708 -43.606 1.00 0.46 H new ATOM 0 HB2 LEU A 75 -0.801 -0.275 -45.501 1.00 0.51 H new ATOM 0 HB3 LEU A 75 -1.084 1.444 -45.308 1.00 0.51 H new ATOM 0 HG LEU A 75 -0.173 1.337 -43.009 1.00 0.79 H new ATOM 0 HD11 LEU A 75 1.015 -0.691 -42.271 1.00 1.48 H new ATOM 0 HD12 LEU A 75 -0.725 -0.989 -42.491 1.00 1.48 H new ATOM 0 HD13 LEU A 75 0.436 -1.551 -43.717 1.00 1.48 H new ATOM 0 HD21 LEU A 75 2.180 0.979 -43.659 1.00 1.36 H new ATOM 0 HD22 LEU A 75 1.640 0.181 -45.156 1.00 1.36 H new ATOM 0 HD23 LEU A 75 1.290 1.906 -44.891 1.00 1.36 H new ATOM 1184 N VAL A 76 -3.291 2.457 -43.916 1.00 0.45 N ATOM 1185 CA VAL A 76 -3.798 3.609 -43.178 1.00 0.50 C ATOM 1186 C VAL A 76 -4.996 3.215 -42.320 1.00 0.48 C ATOM 1187 O VAL A 76 -5.038 3.515 -41.133 1.00 0.50 O ATOM 1188 CB VAL A 76 -4.184 4.769 -44.129 1.00 0.61 C ATOM 1189 CG1 VAL A 76 -5.029 5.816 -43.417 1.00 0.73 C ATOM 1190 CG2 VAL A 76 -2.931 5.413 -44.703 1.00 0.82 C ATOM 0 H VAL A 76 -3.270 2.582 -44.928 1.00 0.45 H new ATOM 0 HA VAL A 76 -2.996 3.958 -42.528 1.00 0.50 H new ATOM 0 HB VAL A 76 -4.780 4.352 -44.940 1.00 0.61 H new ATOM 0 HG11 VAL A 76 -5.282 6.615 -44.114 1.00 0.73 H new ATOM 0 HG12 VAL A 76 -5.944 5.354 -43.047 1.00 0.73 H new ATOM 0 HG13 VAL A 76 -4.467 6.229 -42.580 1.00 0.73 H new ATOM 0 HG21 VAL A 76 -3.213 6.227 -45.370 1.00 0.82 H new ATOM 0 HG22 VAL A 76 -2.319 5.805 -43.891 1.00 0.82 H new ATOM 0 HG23 VAL A 76 -2.362 4.669 -45.260 1.00 0.82 H new ATOM 1200 N ASN A 77 -5.947 2.511 -42.915 1.00 0.48 N ATOM 1201 CA ASN A 77 -7.147 2.087 -42.195 1.00 0.53 C ATOM 1202 C ASN A 77 -6.803 1.177 -41.021 1.00 0.49 C ATOM 1203 O ASN A 77 -7.460 1.221 -39.984 1.00 0.54 O ATOM 1204 CB ASN A 77 -8.123 1.380 -43.140 1.00 0.61 C ATOM 1205 CG ASN A 77 -9.056 2.350 -43.841 1.00 0.76 C ATOM 1206 OD1 ASN A 77 -10.153 2.629 -43.358 1.00 1.14 O ATOM 1207 ND2 ASN A 77 -8.632 2.872 -44.982 1.00 0.92 N ATOM 0 H ASN A 77 -5.915 2.220 -43.892 1.00 0.48 H new ATOM 0 HA ASN A 77 -7.624 2.983 -41.799 1.00 0.53 H new ATOM 0 HB2 ASN A 77 -7.560 0.819 -43.886 1.00 0.61 H new ATOM 0 HB3 ASN A 77 -8.712 0.658 -42.575 1.00 0.61 H new ATOM 0 HD21 ASN A 77 -9.221 3.530 -45.492 1.00 0.92 H new ATOM 0 HD22 ASN A 77 -7.716 2.616 -45.351 1.00 0.92 H new ATOM 1214 N THR A 78 -5.760 0.374 -41.177 1.00 0.45 N ATOM 1215 CA THR A 78 -5.357 -0.567 -40.140 1.00 0.50 C ATOM 1216 C THR A 78 -4.916 0.152 -38.858 1.00 0.46 C ATOM 1217 O THR A 78 -5.468 -0.093 -37.787 1.00 0.50 O ATOM 1218 CB THR A 78 -4.230 -1.492 -40.640 1.00 0.57 C ATOM 1219 OG1 THR A 78 -4.687 -2.242 -41.776 1.00 0.62 O ATOM 1220 CG2 THR A 78 -3.782 -2.455 -39.549 1.00 0.69 C ATOM 0 H THR A 78 -5.176 0.355 -42.013 1.00 0.45 H new ATOM 0 HA THR A 78 -6.232 -1.173 -39.903 1.00 0.50 H new ATOM 0 HB THR A 78 -3.381 -0.869 -40.921 1.00 0.57 H new ATOM 0 HG1 THR A 78 -4.946 -1.625 -42.493 1.00 0.62 H new ATOM 0 HG21 THR A 78 -2.986 -3.094 -39.932 1.00 0.69 H new ATOM 0 HG22 THR A 78 -3.413 -1.889 -38.694 1.00 0.69 H new ATOM 0 HG23 THR A 78 -4.626 -3.072 -39.239 1.00 0.69 H new ATOM 1228 N ILE A 79 -3.937 1.048 -38.966 1.00 0.44 N ATOM 1229 CA ILE A 79 -3.437 1.761 -37.785 1.00 0.45 C ATOM 1230 C ILE A 79 -4.407 2.866 -37.369 1.00 0.45 C ATOM 1231 O ILE A 79 -4.777 2.990 -36.190 1.00 0.50 O ATOM 1232 CB ILE A 79 -2.029 2.380 -38.009 1.00 0.51 C ATOM 1233 CG1 ILE A 79 -0.965 1.293 -38.202 1.00 0.66 C ATOM 1234 CG2 ILE A 79 -1.646 3.276 -36.840 1.00 0.59 C ATOM 1235 CD1 ILE A 79 -0.889 0.743 -39.608 1.00 0.77 C ATOM 0 H ILE A 79 -3.478 1.297 -39.842 1.00 0.44 H new ATOM 0 HA ILE A 79 -3.355 1.017 -36.993 1.00 0.45 H new ATOM 0 HB ILE A 79 -2.075 2.979 -38.918 1.00 0.51 H new ATOM 0 HG12 ILE A 79 0.009 1.701 -37.930 1.00 0.66 H new ATOM 0 HG13 ILE A 79 -1.170 0.473 -37.514 1.00 0.66 H new ATOM 0 HG21 ILE A 79 -0.657 3.700 -37.015 1.00 0.59 H new ATOM 0 HG22 ILE A 79 -2.374 4.081 -36.745 1.00 0.59 H new ATOM 0 HG23 ILE A 79 -1.632 2.689 -35.921 1.00 0.59 H new ATOM 0 HD11 ILE A 79 -0.112 -0.020 -39.659 1.00 0.77 H new ATOM 0 HD12 ILE A 79 -1.849 0.302 -39.879 1.00 0.77 H new ATOM 0 HD13 ILE A 79 -0.651 1.549 -40.302 1.00 0.77 H new ATOM 1247 N LEU A 80 -4.849 3.645 -38.345 1.00 0.45 N ATOM 1248 CA LEU A 80 -5.691 4.794 -38.072 1.00 0.52 C ATOM 1249 C LEU A 80 -7.103 4.375 -37.688 1.00 0.56 C ATOM 1250 O LEU A 80 -7.923 5.221 -37.372 1.00 0.63 O ATOM 1251 CB LEU A 80 -5.728 5.769 -39.258 1.00 0.56 C ATOM 1252 CG LEU A 80 -4.480 6.652 -39.436 1.00 0.61 C ATOM 1253 CD1 LEU A 80 -3.270 5.833 -39.865 1.00 0.78 C ATOM 1254 CD2 LEU A 80 -4.755 7.759 -40.440 1.00 0.71 C ATOM 0 H LEU A 80 -4.637 3.500 -39.332 1.00 0.45 H new ATOM 0 HA LEU A 80 -5.246 5.313 -37.223 1.00 0.52 H new ATOM 0 HB2 LEU A 80 -5.877 5.195 -40.172 1.00 0.56 H new ATOM 0 HB3 LEU A 80 -6.596 6.418 -39.144 1.00 0.56 H new ATOM 0 HG LEU A 80 -4.249 7.100 -38.469 1.00 0.61 H new ATOM 0 HD11 LEU A 80 -2.408 6.490 -39.981 1.00 0.78 H new ATOM 0 HD12 LEU A 80 -3.053 5.080 -39.107 1.00 0.78 H new ATOM 0 HD13 LEU A 80 -3.481 5.342 -40.815 1.00 0.78 H new ATOM 0 HD21 LEU A 80 -3.863 8.375 -40.555 1.00 0.71 H new ATOM 0 HD22 LEU A 80 -5.020 7.320 -41.402 1.00 0.71 H new ATOM 0 HD23 LEU A 80 -5.579 8.377 -40.084 1.00 0.71 H new ATOM 1266 N LYS A 81 -7.399 3.080 -37.722 1.00 0.57 N ATOM 1267 CA LYS A 81 -8.660 2.592 -37.168 1.00 0.68 C ATOM 1268 C LYS A 81 -8.843 3.135 -35.754 1.00 0.68 C ATOM 1269 O LYS A 81 -9.755 3.907 -35.491 1.00 0.72 O ATOM 1270 CB LYS A 81 -8.703 1.057 -37.164 1.00 0.77 C ATOM 1271 CG LYS A 81 -9.879 0.473 -36.388 1.00 1.02 C ATOM 1272 CD LYS A 81 -11.213 1.021 -36.875 1.00 0.99 C ATOM 1273 CE LYS A 81 -12.360 0.533 -36.003 1.00 1.56 C ATOM 1274 NZ LYS A 81 -13.649 1.180 -36.365 1.00 1.93 N ATOM 0 H LYS A 81 -6.796 2.359 -38.119 1.00 0.57 H new ATOM 0 HA LYS A 81 -9.477 2.946 -37.797 1.00 0.68 H new ATOM 0 HB2 LYS A 81 -8.748 0.702 -38.194 1.00 0.77 H new ATOM 0 HB3 LYS A 81 -7.775 0.679 -36.736 1.00 0.77 H new ATOM 0 HG2 LYS A 81 -9.875 -0.612 -36.487 1.00 1.02 H new ATOM 0 HG3 LYS A 81 -9.761 0.697 -35.328 1.00 1.02 H new ATOM 0 HD2 LYS A 81 -11.186 2.111 -36.868 1.00 0.99 H new ATOM 0 HD3 LYS A 81 -11.381 0.713 -37.907 1.00 0.99 H new ATOM 0 HE2 LYS A 81 -12.456 -0.548 -36.102 1.00 1.56 H new ATOM 0 HE3 LYS A 81 -12.133 0.738 -34.957 1.00 1.56 H new ATOM 0 HZ1 LYS A 81 -14.404 0.820 -35.747 1.00 1.93 H new ATOM 0 HZ2 LYS A 81 -13.566 2.210 -36.246 1.00 1.93 H new ATOM 0 HZ3 LYS A 81 -13.880 0.964 -37.356 1.00 1.93 H new ATOM 1288 N GLU A 82 -7.952 2.746 -34.853 1.00 0.69 N ATOM 1289 CA GLU A 82 -7.991 3.240 -33.483 1.00 0.73 C ATOM 1290 C GLU A 82 -7.481 4.680 -33.415 1.00 0.67 C ATOM 1291 O GLU A 82 -7.996 5.493 -32.648 1.00 0.68 O ATOM 1292 CB GLU A 82 -7.152 2.327 -32.575 1.00 0.90 C ATOM 1293 CG GLU A 82 -7.052 2.784 -31.125 1.00 1.53 C ATOM 1294 CD GLU A 82 -8.365 2.671 -30.373 1.00 2.23 C ATOM 1295 OE1 GLU A 82 -8.852 1.537 -30.187 1.00 2.75 O ATOM 1296 OE2 GLU A 82 -8.901 3.711 -29.938 1.00 2.91 O ATOM 0 H GLU A 82 -7.194 2.091 -35.045 1.00 0.69 H new ATOM 0 HA GLU A 82 -9.024 3.230 -33.135 1.00 0.73 H new ATOM 0 HB2 GLU A 82 -7.580 1.325 -32.596 1.00 0.90 H new ATOM 0 HB3 GLU A 82 -6.146 2.253 -32.988 1.00 0.90 H new ATOM 0 HG2 GLU A 82 -6.295 2.189 -30.614 1.00 1.53 H new ATOM 0 HG3 GLU A 82 -6.714 3.820 -31.099 1.00 1.53 H new ATOM 1303 N GLU A 83 -6.477 4.990 -34.231 1.00 0.64 N ATOM 1304 CA GLU A 83 -5.854 6.313 -34.209 1.00 0.64 C ATOM 1305 C GLU A 83 -6.877 7.432 -34.455 1.00 0.55 C ATOM 1306 O GLU A 83 -6.903 8.429 -33.728 1.00 0.58 O ATOM 1307 CB GLU A 83 -4.735 6.375 -35.249 1.00 0.70 C ATOM 1308 CG GLU A 83 -3.958 7.675 -35.238 1.00 0.64 C ATOM 1309 CD GLU A 83 -2.785 7.645 -36.190 1.00 1.03 C ATOM 1310 OE1 GLU A 83 -1.746 7.051 -35.832 1.00 1.46 O ATOM 1311 OE2 GLU A 83 -2.908 8.204 -37.295 1.00 1.66 O ATOM 0 H GLU A 83 -6.078 4.346 -34.914 1.00 0.64 H new ATOM 0 HA GLU A 83 -5.436 6.470 -33.215 1.00 0.64 H new ATOM 0 HB2 GLU A 83 -4.045 5.549 -35.075 1.00 0.70 H new ATOM 0 HB3 GLU A 83 -5.165 6.228 -36.240 1.00 0.70 H new ATOM 0 HG2 GLU A 83 -4.622 8.496 -35.508 1.00 0.64 H new ATOM 0 HG3 GLU A 83 -3.599 7.874 -34.228 1.00 0.64 H new ATOM 1318 N LEU A 84 -7.737 7.237 -35.451 1.00 0.49 N ATOM 1319 CA LEU A 84 -8.737 8.237 -35.838 1.00 0.48 C ATOM 1320 C LEU A 84 -9.645 8.628 -34.683 1.00 0.52 C ATOM 1321 O LEU A 84 -10.127 9.753 -34.639 1.00 0.58 O ATOM 1322 CB LEU A 84 -9.596 7.755 -37.011 1.00 0.50 C ATOM 1323 CG LEU A 84 -8.892 7.709 -38.369 1.00 0.47 C ATOM 1324 CD1 LEU A 84 -9.863 7.276 -39.455 1.00 0.56 C ATOM 1325 CD2 LEU A 84 -8.280 9.060 -38.706 1.00 0.51 C ATOM 0 H LEU A 84 -7.763 6.386 -36.013 1.00 0.49 H new ATOM 0 HA LEU A 84 -8.171 9.117 -36.145 1.00 0.48 H new ATOM 0 HB2 LEU A 84 -9.968 6.757 -36.780 1.00 0.50 H new ATOM 0 HB3 LEU A 84 -10.465 8.407 -37.094 1.00 0.50 H new ATOM 0 HG LEU A 84 -8.087 6.977 -38.313 1.00 0.47 H new ATOM 0 HD11 LEU A 84 -9.347 7.248 -40.415 1.00 0.56 H new ATOM 0 HD12 LEU A 84 -10.250 6.284 -39.222 1.00 0.56 H new ATOM 0 HD13 LEU A 84 -10.689 7.985 -39.508 1.00 0.56 H new ATOM 0 HD21 LEU A 84 -7.785 9.004 -39.675 1.00 0.51 H new ATOM 0 HD22 LEU A 84 -9.064 9.816 -38.743 1.00 0.51 H new ATOM 0 HD23 LEU A 84 -7.551 9.330 -37.942 1.00 0.51 H new ATOM 1337 N GLN A 85 -9.895 7.699 -33.760 1.00 0.57 N ATOM 1338 CA GLN A 85 -10.846 7.937 -32.667 1.00 0.67 C ATOM 1339 C GLN A 85 -10.492 9.201 -31.881 1.00 0.70 C ATOM 1340 O GLN A 85 -11.355 9.820 -31.259 1.00 0.81 O ATOM 1341 CB GLN A 85 -10.896 6.756 -31.689 1.00 0.75 C ATOM 1342 CG GLN A 85 -11.177 5.394 -32.312 1.00 0.80 C ATOM 1343 CD GLN A 85 -12.204 5.430 -33.423 1.00 0.76 C ATOM 1344 OE1 GLN A 85 -13.411 5.401 -33.179 1.00 0.92 O ATOM 1345 NE2 GLN A 85 -11.725 5.429 -34.653 1.00 0.72 N ATOM 0 H GLN A 85 -9.456 6.778 -33.744 1.00 0.57 H new ATOM 0 HA GLN A 85 -11.822 8.059 -33.136 1.00 0.67 H new ATOM 0 HB2 GLN A 85 -9.944 6.704 -31.161 1.00 0.75 H new ATOM 0 HB3 GLN A 85 -11.663 6.959 -30.942 1.00 0.75 H new ATOM 0 HG2 GLN A 85 -10.246 4.985 -32.704 1.00 0.80 H new ATOM 0 HG3 GLN A 85 -11.521 4.713 -31.534 1.00 0.80 H new ATOM 0 HE21 GLN A 85 -10.717 5.454 -34.808 1.00 0.72 H new ATOM 0 HE22 GLN A 85 -12.363 5.403 -35.449 1.00 0.72 H new ATOM 1354 N ASN A 86 -9.221 9.581 -31.922 1.00 0.64 N ATOM 1355 CA ASN A 86 -8.730 10.705 -31.137 1.00 0.71 C ATOM 1356 C ASN A 86 -8.810 12.005 -31.929 1.00 0.67 C ATOM 1357 O ASN A 86 -8.523 13.080 -31.404 1.00 0.77 O ATOM 1358 CB ASN A 86 -7.281 10.458 -30.707 1.00 0.75 C ATOM 1359 CG ASN A 86 -7.096 9.130 -29.993 1.00 0.85 C ATOM 1360 OD1 ASN A 86 -7.269 9.033 -28.780 1.00 1.02 O ATOM 1361 ND2 ASN A 86 -6.735 8.096 -30.743 1.00 0.87 N ATOM 0 H ASN A 86 -8.510 9.125 -32.493 1.00 0.64 H new ATOM 0 HA ASN A 86 -9.362 10.796 -30.254 1.00 0.71 H new ATOM 0 HB2 ASN A 86 -6.637 10.486 -31.586 1.00 0.75 H new ATOM 0 HB3 ASN A 86 -6.959 11.266 -30.050 1.00 0.75 H new ATOM 0 HD21 ASN A 86 -6.592 7.181 -30.315 1.00 0.87 H new ATOM 0 HD22 ASN A 86 -6.601 8.216 -31.747 1.00 0.87 H new ATOM 1368 N ILE A 87 -9.201 11.904 -33.191 1.00 0.61 N ATOM 1369 CA ILE A 87 -9.250 13.064 -34.069 1.00 0.62 C ATOM 1370 C ILE A 87 -10.645 13.219 -34.657 1.00 0.67 C ATOM 1371 O ILE A 87 -11.268 12.239 -35.057 1.00 0.77 O ATOM 1372 CB ILE A 87 -8.238 12.942 -35.232 1.00 0.58 C ATOM 1373 CG1 ILE A 87 -6.917 12.346 -34.740 1.00 0.55 C ATOM 1374 CG2 ILE A 87 -8.004 14.304 -35.873 1.00 0.68 C ATOM 1375 CD1 ILE A 87 -5.851 12.239 -35.810 1.00 0.59 C ATOM 0 H ILE A 87 -9.489 11.030 -33.630 1.00 0.61 H new ATOM 0 HA ILE A 87 -8.993 13.935 -33.467 1.00 0.62 H new ATOM 0 HB ILE A 87 -8.655 12.271 -35.983 1.00 0.58 H new ATOM 0 HG12 ILE A 87 -6.536 12.959 -33.923 1.00 0.55 H new ATOM 0 HG13 ILE A 87 -7.108 11.353 -34.332 1.00 0.55 H new ATOM 0 HG21 ILE A 87 -7.290 14.204 -36.690 1.00 0.68 H new ATOM 0 HG22 ILE A 87 -8.947 14.691 -36.261 1.00 0.68 H new ATOM 0 HG23 ILE A 87 -7.608 14.994 -35.128 1.00 0.68 H new ATOM 0 HD11 ILE A 87 -4.947 11.807 -35.381 1.00 0.59 H new ATOM 0 HD12 ILE A 87 -6.209 11.601 -36.618 1.00 0.59 H new ATOM 0 HD13 ILE A 87 -5.629 13.231 -36.202 1.00 0.59 H new ATOM 1387 N HIS A 88 -11.140 14.445 -34.709 1.00 0.71 N ATOM 1388 CA HIS A 88 -12.442 14.699 -35.306 1.00 0.80 C ATOM 1389 C HIS A 88 -12.329 14.641 -36.823 1.00 0.76 C ATOM 1390 O HIS A 88 -13.133 13.992 -37.492 1.00 0.89 O ATOM 1391 CB HIS A 88 -12.986 16.063 -34.863 1.00 0.95 C ATOM 1392 CG HIS A 88 -14.403 16.325 -35.288 1.00 1.08 C ATOM 1393 ND1 HIS A 88 -15.451 16.411 -34.397 1.00 1.37 N ATOM 1394 CD2 HIS A 88 -14.940 16.537 -36.514 1.00 1.48 C ATOM 1395 CE1 HIS A 88 -16.568 16.660 -35.057 1.00 1.75 C ATOM 1396 NE2 HIS A 88 -16.282 16.742 -36.341 1.00 1.85 N ATOM 0 H HIS A 88 -10.666 15.273 -34.349 1.00 0.71 H new ATOM 0 HA HIS A 88 -13.139 13.932 -34.969 1.00 0.80 H new ATOM 0 HB2 HIS A 88 -12.925 16.131 -33.777 1.00 0.95 H new ATOM 0 HB3 HIS A 88 -12.346 16.847 -35.268 1.00 0.95 H new ATOM 0 HD2 HIS A 88 -14.408 16.543 -37.454 1.00 1.48 H new ATOM 0 HE1 HIS A 88 -17.548 16.777 -34.619 1.00 1.75 H new ATOM 0 HE2 HIS A 88 -16.953 16.928 -37.086 1.00 1.85 H new ATOM 1405 N ALA A 89 -11.327 15.321 -37.364 1.00 0.69 N ATOM 1406 CA ALA A 89 -11.115 15.340 -38.801 1.00 0.68 C ATOM 1407 C ALA A 89 -9.631 15.287 -39.140 1.00 0.62 C ATOM 1408 O ALA A 89 -8.938 16.301 -39.107 1.00 0.73 O ATOM 1409 CB ALA A 89 -11.757 16.575 -39.418 1.00 0.78 C ATOM 0 H ALA A 89 -10.650 15.865 -36.829 1.00 0.69 H new ATOM 0 HA ALA A 89 -11.588 14.452 -39.221 1.00 0.68 H new ATOM 0 HB1 ALA A 89 -11.588 16.573 -40.495 1.00 0.78 H new ATOM 0 HB2 ALA A 89 -12.829 16.566 -39.218 1.00 0.78 H new ATOM 0 HB3 ALA A 89 -11.314 17.471 -38.983 1.00 0.78 H new ATOM 1415 N PHE A 90 -9.141 14.094 -39.426 1.00 0.52 N ATOM 1416 CA PHE A 90 -7.764 13.927 -39.864 1.00 0.47 C ATOM 1417 C PHE A 90 -7.690 13.954 -41.389 1.00 0.48 C ATOM 1418 O PHE A 90 -8.605 13.494 -42.074 1.00 0.63 O ATOM 1419 CB PHE A 90 -7.190 12.612 -39.327 1.00 0.50 C ATOM 1420 CG PHE A 90 -5.752 12.375 -39.701 1.00 0.48 C ATOM 1421 CD1 PHE A 90 -4.732 13.048 -39.047 1.00 0.48 C ATOM 1422 CD2 PHE A 90 -5.420 11.475 -40.703 1.00 0.51 C ATOM 1423 CE1 PHE A 90 -3.409 12.831 -39.385 1.00 0.49 C ATOM 1424 CE2 PHE A 90 -4.100 11.256 -41.046 1.00 0.51 C ATOM 1425 CZ PHE A 90 -3.094 11.933 -40.386 1.00 0.49 C ATOM 0 H PHE A 90 -9.674 13.227 -39.363 1.00 0.52 H new ATOM 0 HA PHE A 90 -7.170 14.751 -39.470 1.00 0.47 H new ATOM 0 HB2 PHE A 90 -7.278 12.606 -38.241 1.00 0.50 H new ATOM 0 HB3 PHE A 90 -7.793 11.785 -39.701 1.00 0.50 H new ATOM 0 HD1 PHE A 90 -4.974 13.751 -38.263 1.00 0.48 H new ATOM 0 HD2 PHE A 90 -6.202 10.940 -41.221 1.00 0.51 H new ATOM 0 HE1 PHE A 90 -2.624 13.362 -38.868 1.00 0.49 H new ATOM 0 HE2 PHE A 90 -3.855 10.555 -41.830 1.00 0.51 H new ATOM 0 HZ PHE A 90 -2.062 11.761 -40.652 1.00 0.49 H new ATOM 1435 N SER A 91 -6.616 14.521 -41.911 1.00 0.44 N ATOM 1436 CA SER A 91 -6.374 14.538 -43.343 1.00 0.48 C ATOM 1437 C SER A 91 -4.920 14.183 -43.624 1.00 0.45 C ATOM 1438 O SER A 91 -4.076 14.248 -42.726 1.00 0.52 O ATOM 1439 CB SER A 91 -6.710 15.917 -43.917 1.00 0.56 C ATOM 1440 OG SER A 91 -8.061 16.260 -43.656 1.00 1.27 O ATOM 0 H SER A 91 -5.892 14.980 -41.358 1.00 0.44 H new ATOM 0 HA SER A 91 -7.015 13.799 -43.824 1.00 0.48 H new ATOM 0 HB2 SER A 91 -6.050 16.667 -43.481 1.00 0.56 H new ATOM 0 HB3 SER A 91 -6.531 15.921 -44.992 1.00 0.56 H new ATOM 0 HG SER A 91 -8.252 17.145 -44.030 1.00 1.27 H new ATOM 1446 N MET A 92 -4.624 13.800 -44.857 1.00 0.48 N ATOM 1447 CA MET A 92 -3.271 13.412 -45.218 1.00 0.48 C ATOM 1448 C MET A 92 -2.948 13.836 -46.645 1.00 0.53 C ATOM 1449 O MET A 92 -3.832 13.910 -47.500 1.00 0.62 O ATOM 1450 CB MET A 92 -3.073 11.895 -45.069 1.00 0.52 C ATOM 1451 CG MET A 92 -3.797 11.055 -46.118 1.00 0.61 C ATOM 1452 SD MET A 92 -5.597 11.099 -45.959 1.00 0.64 S ATOM 1453 CE MET A 92 -5.832 10.208 -44.421 1.00 0.64 C ATOM 0 H MET A 92 -5.299 13.750 -45.620 1.00 0.48 H new ATOM 0 HA MET A 92 -2.590 13.921 -44.536 1.00 0.48 H new ATOM 0 HB2 MET A 92 -2.007 11.674 -45.118 1.00 0.52 H new ATOM 0 HB3 MET A 92 -3.416 11.592 -44.080 1.00 0.52 H new ATOM 0 HG2 MET A 92 -3.519 11.409 -47.111 1.00 0.61 H new ATOM 0 HG3 MET A 92 -3.458 10.022 -46.042 1.00 0.61 H new ATOM 0 HE1 MET A 92 -6.871 9.890 -44.340 1.00 0.64 H new ATOM 0 HE2 MET A 92 -5.182 9.333 -44.405 1.00 0.64 H new ATOM 0 HE3 MET A 92 -5.585 10.859 -43.582 1.00 0.64 H new ATOM 1463 N LYS A 93 -1.683 14.137 -46.885 1.00 0.52 N ATOM 1464 CA LYS A 93 -1.202 14.437 -48.224 1.00 0.59 C ATOM 1465 C LYS A 93 -0.033 13.516 -48.543 1.00 0.49 C ATOM 1466 O LYS A 93 1.048 13.660 -47.980 1.00 0.42 O ATOM 1467 CB LYS A 93 -0.767 15.906 -48.323 1.00 0.70 C ATOM 1468 CG LYS A 93 -1.859 16.894 -47.939 1.00 1.14 C ATOM 1469 CD LYS A 93 -3.046 16.810 -48.884 1.00 1.44 C ATOM 1470 CE LYS A 93 -4.222 17.633 -48.380 1.00 1.93 C ATOM 1471 NZ LYS A 93 -4.786 17.090 -47.113 1.00 2.23 N ATOM 0 H LYS A 93 -0.964 14.180 -46.163 1.00 0.52 H new ATOM 0 HA LYS A 93 -2.004 14.275 -48.944 1.00 0.59 H new ATOM 0 HB2 LYS A 93 0.097 16.064 -47.678 1.00 0.70 H new ATOM 0 HB3 LYS A 93 -0.445 16.112 -49.344 1.00 0.70 H new ATOM 0 HG2 LYS A 93 -2.190 16.694 -46.920 1.00 1.14 H new ATOM 0 HG3 LYS A 93 -1.455 17.906 -47.950 1.00 1.14 H new ATOM 0 HD2 LYS A 93 -2.751 17.163 -49.872 1.00 1.44 H new ATOM 0 HD3 LYS A 93 -3.350 15.769 -48.995 1.00 1.44 H new ATOM 0 HE2 LYS A 93 -3.901 18.663 -48.221 1.00 1.93 H new ATOM 0 HE3 LYS A 93 -5.001 17.656 -49.142 1.00 1.93 H new ATOM 0 HZ1 LYS A 93 -5.455 17.776 -46.709 1.00 2.23 H new ATOM 0 HZ2 LYS A 93 -5.282 16.197 -47.308 1.00 2.23 H new ATOM 0 HZ3 LYS A 93 -4.016 16.917 -46.436 1.00 2.23 H new ATOM 1485 N CYS A 94 -0.252 12.567 -49.440 1.00 0.56 N ATOM 1486 CA CYS A 94 0.744 11.542 -49.720 1.00 0.54 C ATOM 1487 C CYS A 94 1.635 11.928 -50.898 1.00 0.52 C ATOM 1488 O CYS A 94 1.144 12.225 -51.987 1.00 0.64 O ATOM 1489 CB CYS A 94 0.043 10.211 -49.993 1.00 0.73 C ATOM 1490 SG CYS A 94 -1.286 10.322 -51.214 1.00 1.38 S ATOM 0 H CYS A 94 -1.109 12.484 -49.986 1.00 0.56 H new ATOM 0 HA CYS A 94 1.388 11.443 -48.846 1.00 0.54 H new ATOM 0 HB2 CYS A 94 0.781 9.487 -50.338 1.00 0.73 H new ATOM 0 HB3 CYS A 94 -0.366 9.828 -49.058 1.00 0.73 H new ATOM 0 HG CYS A 94 -1.000 9.572 -52.236 1.00 1.38 H new ATOM 1496 N HIS A 95 2.945 11.931 -50.666 1.00 0.44 N ATOM 1497 CA HIS A 95 3.918 12.215 -51.716 1.00 0.50 C ATOM 1498 C HIS A 95 5.215 11.442 -51.488 1.00 0.44 C ATOM 1499 O HIS A 95 5.388 10.768 -50.464 1.00 0.44 O ATOM 1500 CB HIS A 95 4.207 13.717 -51.812 1.00 0.62 C ATOM 1501 CG HIS A 95 3.290 14.438 -52.753 1.00 0.95 C ATOM 1502 ND1 HIS A 95 3.430 14.375 -54.120 1.00 1.36 N ATOM 1503 CD2 HIS A 95 2.214 15.228 -52.524 1.00 1.84 C ATOM 1504 CE1 HIS A 95 2.482 15.093 -54.693 1.00 1.65 C ATOM 1505 NE2 HIS A 95 1.728 15.621 -53.748 1.00 1.98 N ATOM 0 H HIS A 95 3.359 11.739 -49.754 1.00 0.44 H new ATOM 0 HA HIS A 95 3.483 11.888 -52.660 1.00 0.50 H new ATOM 0 HB2 HIS A 95 4.121 14.161 -50.820 1.00 0.62 H new ATOM 0 HB3 HIS A 95 5.237 13.862 -52.137 1.00 0.62 H new ATOM 0 HD1 HIS A 95 4.154 13.854 -54.614 1.00 1.36 H new ATOM 0 HD2 HIS A 95 1.812 15.499 -51.559 1.00 1.84 H new ATOM 0 HE1 HIS A 95 2.347 15.226 -55.756 1.00 1.65 H new ATOM 1514 N THR A 96 6.125 11.535 -52.450 1.00 0.46 N ATOM 1515 CA THR A 96 7.376 10.804 -52.376 1.00 0.49 C ATOM 1516 C THR A 96 8.573 11.751 -52.300 1.00 0.46 C ATOM 1517 O THR A 96 8.458 12.957 -52.579 1.00 0.47 O ATOM 1518 CB THR A 96 7.545 9.854 -53.582 1.00 0.58 C ATOM 1519 OG1 THR A 96 7.625 10.592 -54.808 1.00 0.76 O ATOM 1520 CG2 THR A 96 6.394 8.867 -53.653 1.00 0.65 C ATOM 0 H THR A 96 6.017 12.109 -53.287 1.00 0.46 H new ATOM 0 HA THR A 96 7.340 10.210 -51.463 1.00 0.49 H new ATOM 0 HB THR A 96 8.476 9.304 -53.443 1.00 0.58 H new ATOM 0 HG1 THR A 96 7.733 9.970 -55.558 1.00 0.76 H new ATOM 0 HG21 THR A 96 6.533 8.207 -54.510 1.00 0.65 H new ATOM 0 HG22 THR A 96 6.366 8.274 -52.739 1.00 0.65 H new ATOM 0 HG23 THR A 96 5.455 9.410 -53.762 1.00 0.65 H new ATOM 1528 N PRO A 97 9.742 11.214 -51.904 1.00 0.47 N ATOM 1529 CA PRO A 97 10.982 11.986 -51.822 1.00 0.48 C ATOM 1530 C PRO A 97 11.353 12.618 -53.155 1.00 0.52 C ATOM 1531 O PRO A 97 12.108 13.575 -53.191 1.00 0.54 O ATOM 1532 CB PRO A 97 12.039 10.955 -51.404 1.00 0.53 C ATOM 1533 CG PRO A 97 11.420 9.628 -51.670 1.00 0.72 C ATOM 1534 CD PRO A 97 9.945 9.819 -51.484 1.00 0.51 C ATOM 0 HA PRO A 97 10.892 12.817 -51.122 1.00 0.48 H new ATOM 0 HB2 PRO A 97 12.959 11.081 -51.975 1.00 0.53 H new ATOM 0 HB3 PRO A 97 12.300 11.064 -50.351 1.00 0.53 H new ATOM 0 HG2 PRO A 97 11.646 9.287 -52.680 1.00 0.72 H new ATOM 0 HG3 PRO A 97 11.806 8.873 -50.985 1.00 0.72 H new ATOM 0 HD2 PRO A 97 9.367 9.125 -52.094 1.00 0.51 H new ATOM 0 HD3 PRO A 97 9.644 9.660 -50.448 1.00 0.51 H new ATOM 1542 N LEU A 98 10.815 12.080 -54.246 1.00 0.60 N ATOM 1543 CA LEU A 98 11.061 12.637 -55.569 1.00 0.71 C ATOM 1544 C LEU A 98 10.521 14.055 -55.651 1.00 0.66 C ATOM 1545 O LEU A 98 11.238 14.979 -56.031 1.00 0.71 O ATOM 1546 CB LEU A 98 10.422 11.771 -56.664 1.00 0.88 C ATOM 1547 CG LEU A 98 11.169 10.478 -57.015 1.00 1.34 C ATOM 1548 CD1 LEU A 98 12.591 10.785 -57.457 1.00 2.08 C ATOM 1549 CD2 LEU A 98 11.169 9.514 -55.841 1.00 1.78 C ATOM 0 H LEU A 98 10.207 11.261 -54.238 1.00 0.60 H new ATOM 0 HA LEU A 98 12.139 12.652 -55.731 1.00 0.71 H new ATOM 0 HB2 LEU A 98 9.411 11.510 -56.351 1.00 0.88 H new ATOM 0 HB3 LEU A 98 10.330 12.372 -57.569 1.00 0.88 H new ATOM 0 HG LEU A 98 10.647 10.000 -57.844 1.00 1.34 H new ATOM 0 HD11 LEU A 98 13.105 9.855 -57.702 1.00 2.08 H new ATOM 0 HD12 LEU A 98 12.568 11.429 -58.336 1.00 2.08 H new ATOM 0 HD13 LEU A 98 13.121 11.291 -56.650 1.00 2.08 H new ATOM 0 HD21 LEU A 98 11.705 8.606 -56.116 1.00 1.78 H new ATOM 0 HD22 LEU A 98 11.660 9.981 -54.987 1.00 1.78 H new ATOM 0 HD23 LEU A 98 10.142 9.263 -55.576 1.00 1.78 H new ATOM 1561 N GLU A 99 9.263 14.229 -55.265 1.00 0.65 N ATOM 1562 CA GLU A 99 8.657 15.551 -55.252 1.00 0.72 C ATOM 1563 C GLU A 99 9.399 16.469 -54.295 1.00 0.64 C ATOM 1564 O GLU A 99 9.718 17.605 -54.638 1.00 0.71 O ATOM 1565 CB GLU A 99 7.178 15.496 -54.857 1.00 0.88 C ATOM 1566 CG GLU A 99 6.276 14.818 -55.875 1.00 1.19 C ATOM 1567 CD GLU A 99 6.260 13.315 -55.735 1.00 1.91 C ATOM 1568 OE1 GLU A 99 5.606 12.816 -54.794 1.00 2.69 O ATOM 1569 OE2 GLU A 99 6.880 12.629 -56.562 1.00 2.44 O ATOM 0 H GLU A 99 8.647 13.476 -54.959 1.00 0.65 H new ATOM 0 HA GLU A 99 8.727 15.944 -56.266 1.00 0.72 H new ATOM 0 HB2 GLU A 99 7.089 14.971 -53.906 1.00 0.88 H new ATOM 0 HB3 GLU A 99 6.821 16.513 -54.695 1.00 0.88 H new ATOM 0 HG2 GLU A 99 5.261 15.199 -55.765 1.00 1.19 H new ATOM 0 HG3 GLU A 99 6.608 15.081 -56.879 1.00 1.19 H new ATOM 1576 N TYR A 100 9.685 15.972 -53.094 1.00 0.57 N ATOM 1577 CA TYR A 100 10.346 16.799 -52.087 1.00 0.63 C ATOM 1578 C TYR A 100 11.778 17.150 -52.493 1.00 0.66 C ATOM 1579 O TYR A 100 12.212 18.290 -52.331 1.00 0.76 O ATOM 1580 CB TYR A 100 10.348 16.120 -50.717 1.00 0.67 C ATOM 1581 CG TYR A 100 10.971 16.987 -49.643 1.00 0.85 C ATOM 1582 CD1 TYR A 100 10.354 18.162 -49.239 1.00 0.98 C ATOM 1583 CD2 TYR A 100 12.181 16.642 -49.051 1.00 0.96 C ATOM 1584 CE1 TYR A 100 10.922 18.971 -48.277 1.00 1.17 C ATOM 1585 CE2 TYR A 100 12.755 17.447 -48.084 1.00 1.15 C ATOM 1586 CZ TYR A 100 12.121 18.612 -47.702 1.00 1.24 C ATOM 1587 OH TYR A 100 12.687 19.423 -46.744 1.00 1.46 O ATOM 0 H TYR A 100 9.474 15.019 -52.797 1.00 0.57 H new ATOM 0 HA TYR A 100 9.772 17.723 -52.018 1.00 0.63 H new ATOM 0 HB2 TYR A 100 9.324 15.876 -50.434 1.00 0.67 H new ATOM 0 HB3 TYR A 100 10.894 15.179 -50.782 1.00 0.67 H new ATOM 0 HD1 TYR A 100 9.413 18.448 -49.685 1.00 0.98 H new ATOM 0 HD2 TYR A 100 12.680 15.732 -49.351 1.00 0.96 H new ATOM 0 HE1 TYR A 100 10.428 19.883 -47.976 1.00 1.17 H new ATOM 0 HE2 TYR A 100 13.694 17.166 -47.630 1.00 1.15 H new ATOM 0 HH TYR A 100 13.530 19.028 -46.438 1.00 1.46 H new ATOM 1597 N ASP A 101 12.505 16.174 -53.026 1.00 0.66 N ATOM 1598 CA ASP A 101 13.896 16.389 -53.417 1.00 0.78 C ATOM 1599 C ASP A 101 13.979 17.397 -54.551 1.00 0.81 C ATOM 1600 O ASP A 101 14.922 18.178 -54.631 1.00 0.93 O ATOM 1601 CB ASP A 101 14.560 15.069 -53.836 1.00 0.88 C ATOM 1602 CG ASP A 101 16.044 15.221 -54.115 1.00 1.07 C ATOM 1603 OD1 ASP A 101 16.838 15.227 -53.149 1.00 1.23 O ATOM 1604 OD2 ASP A 101 16.424 15.321 -55.297 1.00 1.14 O ATOM 0 H ASP A 101 12.158 15.230 -53.197 1.00 0.66 H new ATOM 0 HA ASP A 101 14.431 16.784 -52.553 1.00 0.78 H new ATOM 0 HB2 ASP A 101 14.417 14.329 -53.048 1.00 0.88 H new ATOM 0 HB3 ASP A 101 14.065 14.685 -54.728 1.00 0.88 H new ATOM 1609 N LYS A 102 12.973 17.399 -55.417 1.00 0.75 N ATOM 1610 CA LYS A 102 12.924 18.355 -56.510 1.00 0.84 C ATOM 1611 C LYS A 102 12.562 19.750 -56.001 1.00 0.89 C ATOM 1612 O LYS A 102 12.835 20.746 -56.665 1.00 1.05 O ATOM 1613 CB LYS A 102 11.943 17.903 -57.598 1.00 0.88 C ATOM 1614 CG LYS A 102 12.585 17.131 -58.755 1.00 1.03 C ATOM 1615 CD LYS A 102 13.105 15.754 -58.343 1.00 1.09 C ATOM 1616 CE LYS A 102 14.497 15.814 -57.726 1.00 1.86 C ATOM 1617 NZ LYS A 102 15.541 16.191 -58.716 1.00 2.66 N ATOM 0 H LYS A 102 12.185 16.752 -55.382 1.00 0.75 H new ATOM 0 HA LYS A 102 13.919 18.402 -56.953 1.00 0.84 H new ATOM 0 HB2 LYS A 102 11.177 17.276 -57.141 1.00 0.88 H new ATOM 0 HB3 LYS A 102 11.438 18.781 -58.000 1.00 0.88 H new ATOM 0 HG2 LYS A 102 11.854 17.012 -59.554 1.00 1.03 H new ATOM 0 HG3 LYS A 102 13.409 17.717 -59.162 1.00 1.03 H new ATOM 0 HD2 LYS A 102 12.414 15.308 -57.628 1.00 1.09 H new ATOM 0 HD3 LYS A 102 13.126 15.102 -59.216 1.00 1.09 H new ATOM 0 HE2 LYS A 102 14.498 16.535 -56.909 1.00 1.86 H new ATOM 0 HE3 LYS A 102 14.742 14.843 -57.295 1.00 1.86 H new ATOM 0 HZ1 LYS A 102 16.481 15.960 -58.335 1.00 2.66 H new ATOM 0 HZ2 LYS A 102 15.387 15.665 -59.600 1.00 2.66 H new ATOM 0 HZ3 LYS A 102 15.487 17.212 -58.906 1.00 2.66 H new ATOM 1631 N LEU A 103 11.960 19.826 -54.819 1.00 0.83 N ATOM 1632 CA LEU A 103 11.680 21.115 -54.194 1.00 0.97 C ATOM 1633 C LEU A 103 12.981 21.759 -53.726 1.00 1.12 C ATOM 1634 O LEU A 103 13.255 22.918 -54.019 1.00 1.31 O ATOM 1635 CB LEU A 103 10.718 20.954 -53.015 1.00 0.98 C ATOM 1636 CG LEU A 103 9.344 20.388 -53.370 1.00 0.91 C ATOM 1637 CD1 LEU A 103 8.460 20.319 -52.135 1.00 1.01 C ATOM 1638 CD2 LEU A 103 8.685 21.223 -54.456 1.00 1.00 C ATOM 0 H LEU A 103 11.658 19.017 -54.277 1.00 0.83 H new ATOM 0 HA LEU A 103 11.206 21.760 -54.934 1.00 0.97 H new ATOM 0 HB2 LEU A 103 11.182 20.302 -52.275 1.00 0.98 H new ATOM 0 HB3 LEU A 103 10.582 21.927 -52.542 1.00 0.98 H new ATOM 0 HG LEU A 103 9.478 19.376 -53.752 1.00 0.91 H new ATOM 0 HD11 LEU A 103 7.486 19.913 -52.407 1.00 1.01 H new ATOM 0 HD12 LEU A 103 8.926 19.674 -51.390 1.00 1.01 H new ATOM 0 HD13 LEU A 103 8.334 21.320 -51.721 1.00 1.01 H new ATOM 0 HD21 LEU A 103 7.708 20.804 -54.695 1.00 1.00 H new ATOM 0 HD22 LEU A 103 8.564 22.248 -54.104 1.00 1.00 H new ATOM 0 HD23 LEU A 103 9.310 21.217 -55.349 1.00 1.00 H new