USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=21 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 Set 1.1: A 29 GLN : amide:sc= 0.309 K(o=1.2,f=0.41) USER MOD Set 1.2: A 98 SER OG : rot 38:sc= 0.901 USER MOD Set 2.1: A 57 MET CE :methyl 155:sc= 0 (180deg=-0.00551) USER MOD Set 2.2: A 93 MET CE :methyl -122:sc= 0 (180deg=-0.0412) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.143) USER MOD Single : A 31 GLN : amide:sc= 0.776 K(o=0.78,f=-0.014) USER MOD Single : A 45 THR OG1 : rot 78:sc= 1.13 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 166:sc= -0.323! (180deg=-0.466) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -166:sc= 2.42 (180deg=1.56) USER MOD Single : A 66 LYS NZ :NH3+ -168:sc= 2.44 (180deg=2.29) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -176:sc= 0.774 (180deg=0.754) USER MOD Single : A 72 MET CE :methyl -110:sc= -0.26 (180deg=-0.338) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 168:sc= 0.239 (180deg=0.187) USER MOD Single : A 81 THR OG1 : rot -16:sc= 0.88 USER MOD Single : A 83 LYS NZ :NH3+ 169:sc= 2 (180deg=1.85) USER MOD Single : A 84 MET CE :methyl -147:sc= -0.477 (180deg=-3.11!) USER MOD Single : A 85 ASN : amide:sc= -0.324 K(o=-0.32,f=-0.87) USER MOD Single : A 91 THR OG1 : rot -75:sc= 0.86 USER MOD Single : A 94 THR OG1 : rot -52:sc= 1.22 USER MOD Single : A 95 GLN : amide:sc= 0.114 X(o=0.11,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.126) USER MOD Single : A 97 MET CE :methyl 174:sc= 0 (180deg=-0.0382) USER MOD ----------------------------------------------------------------- ATOM 383 N LEU A 25 -6.873 -8.029 -27.657 1.00 0.00 N ATOM 384 CA LEU A 25 -5.878 -8.501 -26.648 1.00 0.00 C ATOM 385 C LEU A 25 -6.458 -9.556 -25.633 1.00 0.00 C ATOM 386 O LEU A 25 -7.625 -9.451 -25.240 1.00 0.00 O ATOM 387 CB LEU A 25 -5.226 -7.312 -25.893 1.00 0.00 C ATOM 388 CG LEU A 25 -6.106 -6.507 -24.897 1.00 0.00 C ATOM 389 CD1 LEU A 25 -5.242 -5.555 -24.050 1.00 0.00 C ATOM 390 CD2 LEU A 25 -7.253 -5.709 -25.551 1.00 0.00 C ATOM 0 HA LEU A 25 -5.107 -9.018 -27.219 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.367 -7.697 -25.343 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.842 -6.615 -26.637 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.576 -7.262 -24.267 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.879 -5.002 -23.360 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.511 -6.133 -23.485 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.723 -4.855 -24.705 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.813 -5.179 -24.781 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.839 -4.990 -26.258 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.918 -6.393 -26.077 1.00 0.00 H new ATOM 402 N THR A 26 -5.675 -10.575 -25.212 1.00 0.00 N ATOM 403 CA THR A 26 -6.229 -11.733 -24.431 1.00 0.00 C ATOM 404 C THR A 26 -5.752 -11.661 -22.931 1.00 0.00 C ATOM 405 O THR A 26 -5.361 -10.601 -22.434 1.00 0.00 O ATOM 406 CB THR A 26 -5.835 -13.052 -25.081 1.00 0.00 C ATOM 407 OG1 THR A 26 -4.425 -13.112 -25.290 1.00 0.00 O ATOM 408 CG2 THR A 26 -6.551 -13.151 -26.448 1.00 0.00 C ATOM 0 H THR A 26 -4.672 -10.631 -25.390 1.00 0.00 H new ATOM 0 HA THR A 26 -7.317 -11.674 -24.437 1.00 0.00 H new ATOM 0 HB THR A 26 -6.124 -13.875 -24.428 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.192 -13.968 -25.707 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.283 -14.090 -26.932 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.630 -13.116 -26.297 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.246 -12.317 -27.080 1.00 0.00 H new ATOM 416 N GLU A 27 -5.793 -12.781 -22.189 1.00 0.00 N ATOM 417 CA GLU A 27 -5.583 -12.850 -20.710 1.00 0.00 C ATOM 418 C GLU A 27 -4.256 -12.236 -20.187 1.00 0.00 C ATOM 419 O GLU A 27 -4.315 -11.325 -19.363 1.00 0.00 O ATOM 420 CB GLU A 27 -5.661 -14.307 -20.184 1.00 0.00 C ATOM 421 CG GLU A 27 -7.092 -14.839 -19.964 1.00 0.00 C ATOM 422 CD GLU A 27 -7.950 -14.787 -21.224 1.00 0.00 C ATOM 423 OE1 GLU A 27 -7.448 -15.161 -22.316 1.00 0.00 O ATOM 424 OE2 GLU A 27 -9.149 -14.413 -21.095 1.00 0.00 O ATOM 0 H GLU A 27 -5.977 -13.695 -22.601 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.399 -12.238 -20.325 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.150 -14.961 -20.890 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.117 -14.368 -19.242 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.040 -15.868 -19.609 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.574 -14.255 -19.179 1.00 0.00 H new ATOM 431 N GLU A 28 -3.103 -12.687 -20.710 1.00 0.00 N ATOM 432 CA GLU A 28 -1.765 -12.057 -20.481 1.00 0.00 C ATOM 433 C GLU A 28 -1.731 -10.496 -20.627 1.00 0.00 C ATOM 434 O GLU A 28 -1.373 -9.800 -19.671 1.00 0.00 O ATOM 435 CB GLU A 28 -0.713 -12.710 -21.418 1.00 0.00 C ATOM 436 CG GLU A 28 0.733 -12.179 -21.315 1.00 0.00 C ATOM 437 CD GLU A 28 0.965 -11.042 -22.311 1.00 0.00 C ATOM 438 OE1 GLU A 28 0.761 -11.287 -23.530 1.00 0.00 O ATOM 439 OE2 GLU A 28 1.328 -9.921 -21.871 1.00 0.00 O ATOM 0 H GLU A 28 -3.060 -13.509 -21.313 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.525 -12.247 -19.435 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.697 -13.781 -21.217 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.049 -12.584 -22.447 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.924 -11.826 -20.302 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.437 -12.988 -21.509 1.00 0.00 H new ATOM 446 N GLN A 29 -2.174 -9.954 -21.777 1.00 0.00 N ATOM 447 CA GLN A 29 -2.207 -8.483 -22.005 1.00 0.00 C ATOM 448 C GLN A 29 -3.233 -7.724 -21.092 1.00 0.00 C ATOM 449 O GLN A 29 -2.821 -6.824 -20.348 1.00 0.00 O ATOM 450 CB GLN A 29 -2.332 -8.100 -23.484 1.00 0.00 C ATOM 451 CG GLN A 29 -1.118 -8.606 -24.284 1.00 0.00 C ATOM 452 CD GLN A 29 -0.922 -7.782 -25.556 1.00 0.00 C ATOM 453 OE1 GLN A 29 -0.053 -6.903 -25.591 1.00 0.00 O ATOM 454 NE2 GLN A 29 -1.743 -8.062 -26.607 1.00 0.00 N ATOM 0 H GLN A 29 -2.515 -10.504 -22.565 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.225 -8.133 -21.688 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.248 -8.523 -23.898 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.410 -7.017 -23.579 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.221 -8.549 -23.667 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.260 -9.655 -24.544 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.444 -8.798 -26.525 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.657 -7.535 -27.476 1.00 0.00 H new ATOM 463 N LYS A 30 -4.535 -8.104 -21.142 1.00 0.00 N ATOM 464 CA LYS A 30 -5.613 -7.594 -20.226 1.00 0.00 C ATOM 465 C LYS A 30 -5.226 -7.467 -18.711 1.00 0.00 C ATOM 466 O LYS A 30 -5.210 -6.373 -18.134 1.00 0.00 O ATOM 467 CB LYS A 30 -6.879 -8.497 -20.246 1.00 0.00 C ATOM 468 CG LYS A 30 -7.669 -8.530 -21.567 1.00 0.00 C ATOM 469 CD LYS A 30 -8.510 -7.276 -21.849 1.00 0.00 C ATOM 470 CE LYS A 30 -9.417 -7.473 -23.075 1.00 0.00 C ATOM 471 NZ LYS A 30 -10.154 -6.241 -23.435 1.00 0.00 N ATOM 0 H LYS A 30 -4.880 -8.780 -21.823 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.790 -6.599 -20.634 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.577 -9.516 -20.002 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.550 -8.164 -19.454 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.968 -8.672 -22.389 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.329 -9.398 -21.557 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.120 -7.042 -20.977 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.851 -6.424 -22.015 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.812 -7.792 -23.924 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.129 -8.273 -22.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.589 -6.358 -24.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.896 -6.062 -22.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.495 -5.436 -23.457 1.00 0.00 H new ATOM 485 N GLN A 31 -4.860 -8.620 -18.133 1.00 0.00 N ATOM 486 CA GLN A 31 -4.262 -8.748 -16.782 1.00 0.00 C ATOM 487 C GLN A 31 -3.022 -7.850 -16.516 1.00 0.00 C ATOM 488 O GLN A 31 -3.092 -7.068 -15.572 1.00 0.00 O ATOM 489 CB GLN A 31 -3.892 -10.220 -16.496 1.00 0.00 C ATOM 490 CG GLN A 31 -3.436 -10.524 -15.060 1.00 0.00 C ATOM 491 CD GLN A 31 -1.911 -10.667 -14.984 1.00 0.00 C ATOM 492 OE1 GLN A 31 -1.372 -11.634 -15.536 1.00 0.00 O ATOM 493 NE2 GLN A 31 -1.235 -9.712 -14.286 1.00 0.00 N ATOM 0 H GLN A 31 -4.972 -9.520 -18.600 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.038 -8.395 -16.103 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.757 -10.844 -16.723 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.097 -10.516 -17.181 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -3.763 -9.725 -14.394 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.908 -11.443 -14.712 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.743 -8.940 -13.855 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.221 -9.769 -14.194 1.00 0.00 H new ATOM 502 N GLU A 32 -1.910 -7.946 -17.273 1.00 0.00 N ATOM 503 CA GLU A 32 -0.639 -7.239 -16.875 1.00 0.00 C ATOM 504 C GLU A 32 -0.750 -5.674 -16.906 1.00 0.00 C ATOM 505 O GLU A 32 -0.274 -5.031 -15.961 1.00 0.00 O ATOM 506 CB GLU A 32 0.593 -7.740 -17.668 1.00 0.00 C ATOM 507 CG GLU A 32 1.828 -8.011 -16.780 1.00 0.00 C ATOM 508 CD GLU A 32 1.632 -9.256 -15.918 1.00 0.00 C ATOM 509 OE1 GLU A 32 1.600 -10.375 -16.493 1.00 0.00 O ATOM 510 OE2 GLU A 32 1.504 -9.106 -14.673 1.00 0.00 O ATOM 0 H GLU A 32 -1.847 -8.483 -18.138 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.484 -7.508 -15.830 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.327 -8.655 -18.197 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.854 -7.000 -18.424 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.709 -8.137 -17.409 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.014 -7.149 -16.140 1.00 0.00 H new ATOM 517 N ILE A 33 -1.414 -5.042 -17.905 1.00 0.00 N ATOM 518 CA ILE A 33 -1.657 -3.561 -17.870 1.00 0.00 C ATOM 519 C ILE A 33 -2.733 -3.155 -16.795 1.00 0.00 C ATOM 520 O ILE A 33 -2.453 -2.205 -16.055 1.00 0.00 O ATOM 521 CB ILE A 33 -2.064 -3.086 -19.277 1.00 0.00 C ATOM 522 CG1 ILE A 33 -0.847 -3.007 -20.244 1.00 0.00 C ATOM 523 CG2 ILE A 33 -2.777 -1.715 -19.256 1.00 0.00 C ATOM 524 CD1 ILE A 33 -0.290 -4.346 -20.743 1.00 0.00 C ATOM 0 H ILE A 33 -1.787 -5.512 -18.730 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.733 -3.067 -17.571 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.763 -3.838 -19.643 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.136 -2.412 -21.110 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.044 -2.468 -19.741 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.042 -1.427 -20.273 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.681 -1.784 -18.651 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.111 -0.965 -18.829 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.554 -4.164 -21.408 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.041 -4.942 -19.892 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.068 -4.885 -21.283 1.00 0.00 H new ATOM 536 N ARG A 34 -3.923 -3.810 -16.655 1.00 0.00 N ATOM 537 CA ARG A 34 -4.861 -3.492 -15.534 1.00 0.00 C ATOM 538 C ARG A 34 -4.259 -3.785 -14.121 1.00 0.00 C ATOM 539 O ARG A 34 -4.321 -2.891 -13.278 1.00 0.00 O ATOM 540 CB ARG A 34 -6.225 -4.228 -15.651 1.00 0.00 C ATOM 541 CG ARG A 34 -7.254 -3.860 -14.554 1.00 0.00 C ATOM 542 CD ARG A 34 -7.329 -4.870 -13.390 1.00 0.00 C ATOM 543 NE ARG A 34 -7.928 -4.212 -12.177 1.00 0.00 N ATOM 544 CZ ARG A 34 -8.107 -4.872 -10.992 1.00 0.00 C ATOM 545 NH1 ARG A 34 -7.929 -6.220 -10.897 1.00 0.00 N ATOM 546 NH2 ARG A 34 -8.452 -4.163 -9.879 1.00 0.00 N ATOM 0 H ARG A 34 -4.250 -4.542 -17.286 1.00 0.00 H new ATOM 0 HA ARG A 34 -5.026 -2.419 -15.631 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.659 -4.007 -16.626 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.047 -5.303 -15.617 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.004 -2.878 -14.152 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.240 -3.776 -15.011 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.931 -5.730 -13.682 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.332 -5.243 -13.157 1.00 0.00 H new ATOM 0 HE ARG A 34 -8.212 -3.234 -12.241 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.657 -6.758 -11.720 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.068 -6.691 -10.003 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -8.574 -3.152 -9.936 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -8.588 -4.644 -8.990 1.00 0.00 H new ATOM 560 N GLU A 35 -3.692 -4.979 -13.852 1.00 0.00 N ATOM 561 CA GLU A 35 -3.068 -5.301 -12.539 1.00 0.00 C ATOM 562 C GLU A 35 -1.890 -4.349 -12.146 1.00 0.00 C ATOM 563 O GLU A 35 -1.885 -3.900 -11.002 1.00 0.00 O ATOM 564 CB GLU A 35 -2.626 -6.782 -12.464 1.00 0.00 C ATOM 565 CG GLU A 35 -2.446 -7.321 -11.033 1.00 0.00 C ATOM 566 CD GLU A 35 -2.230 -8.829 -11.075 1.00 0.00 C ATOM 567 OE1 GLU A 35 -3.148 -9.560 -11.540 1.00 0.00 O ATOM 568 OE2 GLU A 35 -1.139 -9.292 -10.651 1.00 0.00 O ATOM 0 H GLU A 35 -3.650 -5.743 -14.526 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.853 -5.133 -11.801 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.365 -7.395 -12.980 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.685 -6.895 -13.003 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.595 -6.835 -10.556 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.325 -7.086 -10.433 1.00 0.00 H new ATOM 575 N ALA A 36 -0.971 -3.952 -13.057 1.00 0.00 N ATOM 576 CA ALA A 36 0.020 -2.882 -12.754 1.00 0.00 C ATOM 577 C ALA A 36 -0.584 -1.452 -12.540 1.00 0.00 C ATOM 578 O ALA A 36 -0.378 -0.877 -11.465 1.00 0.00 O ATOM 579 CB ALA A 36 1.079 -2.763 -13.866 1.00 0.00 C ATOM 0 H ALA A 36 -0.891 -4.346 -13.994 1.00 0.00 H new ATOM 0 HA ALA A 36 0.455 -3.207 -11.809 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.786 -1.973 -13.612 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.612 -3.709 -13.964 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.590 -2.523 -14.810 1.00 0.00 H new ATOM 585 N PHE A 37 -1.326 -0.861 -13.509 1.00 0.00 N ATOM 586 CA PHE A 37 -1.893 0.518 -13.342 1.00 0.00 C ATOM 587 C PHE A 37 -2.879 0.659 -12.133 1.00 0.00 C ATOM 588 O PHE A 37 -2.733 1.620 -11.379 1.00 0.00 O ATOM 589 CB PHE A 37 -2.664 0.947 -14.616 1.00 0.00 C ATOM 590 CG PHE A 37 -2.783 2.448 -14.741 1.00 0.00 C ATOM 591 CD1 PHE A 37 -3.797 3.163 -14.075 1.00 0.00 C ATOM 592 CD2 PHE A 37 -1.900 3.151 -15.579 1.00 0.00 C ATOM 593 CE1 PHE A 37 -3.905 4.552 -14.223 1.00 0.00 C ATOM 594 CE2 PHE A 37 -2.033 4.529 -15.762 1.00 0.00 C ATOM 595 CZ PHE A 37 -3.020 5.232 -15.066 1.00 0.00 C ATOM 0 H PHE A 37 -1.548 -1.301 -14.402 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.029 1.155 -13.156 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.156 0.551 -15.495 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.661 0.507 -14.599 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -4.498 2.636 -13.444 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.109 2.619 -16.087 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.669 5.096 -13.688 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.374 5.051 -16.440 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.100 6.303 -15.179 1.00 0.00 H new ATOM 605 N ASP A 38 -3.801 -0.294 -11.899 1.00 0.00 N ATOM 606 CA ASP A 38 -4.630 -0.355 -10.657 1.00 0.00 C ATOM 607 C ASP A 38 -3.804 -0.601 -9.328 1.00 0.00 C ATOM 608 O ASP A 38 -4.163 -0.020 -8.300 1.00 0.00 O ATOM 609 CB ASP A 38 -5.636 -1.531 -10.834 1.00 0.00 C ATOM 610 CG ASP A 38 -6.881 -1.492 -9.948 1.00 0.00 C ATOM 611 OD1 ASP A 38 -6.760 -1.555 -8.701 1.00 0.00 O ATOM 612 OD2 ASP A 38 -8.002 -1.510 -10.535 1.00 0.00 O ATOM 0 H ASP A 38 -4.000 -1.047 -12.558 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.111 0.616 -10.539 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.957 -1.554 -11.875 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.108 -2.465 -10.643 1.00 0.00 H new ATOM 617 N LEU A 39 -2.693 -1.391 -9.305 1.00 0.00 N ATOM 618 CA LEU A 39 -1.766 -1.466 -8.141 1.00 0.00 C ATOM 619 C LEU A 39 -1.196 -0.074 -7.682 1.00 0.00 C ATOM 620 O LEU A 39 -1.168 0.211 -6.482 1.00 0.00 O ATOM 621 CB LEU A 39 -0.562 -2.404 -8.422 1.00 0.00 C ATOM 622 CG LEU A 39 0.410 -2.658 -7.242 1.00 0.00 C ATOM 623 CD1 LEU A 39 -0.279 -3.330 -6.040 1.00 0.00 C ATOM 624 CD2 LEU A 39 1.629 -3.475 -7.714 1.00 0.00 C ATOM 0 H LEU A 39 -2.418 -1.988 -10.085 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.385 -1.863 -7.337 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.950 -3.366 -8.757 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.010 -1.986 -9.250 1.00 0.00 H new ATOM 0 HG LEU A 39 0.754 -1.684 -6.894 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.448 -3.484 -5.243 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.084 -2.691 -5.678 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.690 -4.292 -6.347 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.301 -3.644 -6.873 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.293 -4.434 -8.109 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.155 -2.925 -8.494 1.00 0.00 H new ATOM 636 N PHE A 40 -0.746 0.774 -8.632 1.00 0.00 N ATOM 637 CA PHE A 40 -0.290 2.164 -8.335 1.00 0.00 C ATOM 638 C PHE A 40 -1.482 3.171 -8.174 1.00 0.00 C ATOM 639 O PHE A 40 -1.517 3.901 -7.179 1.00 0.00 O ATOM 640 CB PHE A 40 0.704 2.681 -9.388 1.00 0.00 C ATOM 641 CG PHE A 40 1.886 1.742 -9.406 1.00 0.00 C ATOM 642 CD1 PHE A 40 2.787 1.711 -8.327 1.00 0.00 C ATOM 643 CD2 PHE A 40 2.058 0.827 -10.457 1.00 0.00 C ATOM 644 CE1 PHE A 40 3.825 0.771 -8.292 1.00 0.00 C ATOM 645 CE2 PHE A 40 3.076 -0.129 -10.412 1.00 0.00 C ATOM 646 CZ PHE A 40 3.961 -0.157 -9.330 1.00 0.00 C ATOM 0 H PHE A 40 -0.686 0.525 -9.619 1.00 0.00 H new ATOM 0 HA PHE A 40 0.224 2.106 -7.376 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.233 2.722 -10.370 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.025 3.694 -9.146 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.678 2.418 -7.518 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.396 0.863 -11.310 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.519 0.763 -7.465 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.179 -0.846 -11.213 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.749 -0.895 -9.296 1.00 0.00 H new ATOM 656 N ASP A 41 -2.479 3.190 -9.083 1.00 0.00 N ATOM 657 CA ASP A 41 -3.711 4.009 -8.947 1.00 0.00 C ATOM 658 C ASP A 41 -4.824 3.248 -8.149 1.00 0.00 C ATOM 659 O ASP A 41 -5.739 2.644 -8.718 1.00 0.00 O ATOM 660 CB ASP A 41 -4.276 4.477 -10.317 1.00 0.00 C ATOM 661 CG ASP A 41 -5.344 5.561 -10.170 1.00 0.00 C ATOM 662 OD1 ASP A 41 -5.731 5.896 -9.015 1.00 0.00 O ATOM 663 OD2 ASP A 41 -5.780 6.103 -11.220 1.00 0.00 O ATOM 0 H ASP A 41 -2.456 2.636 -9.939 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.416 4.897 -8.388 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.460 4.856 -10.932 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.701 3.622 -10.843 1.00 0.00 H new ATOM 668 N ALA A 42 -4.721 3.278 -6.808 1.00 0.00 N ATOM 669 CA ALA A 42 -5.609 2.474 -5.919 1.00 0.00 C ATOM 670 C ALA A 42 -6.920 3.202 -5.478 1.00 0.00 C ATOM 671 O ALA A 42 -8.015 2.669 -5.680 1.00 0.00 O ATOM 672 CB ALA A 42 -4.862 2.063 -4.635 1.00 0.00 C ATOM 0 H ALA A 42 -4.037 3.846 -6.308 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.890 1.613 -6.525 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.526 1.477 -3.999 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.990 1.464 -4.897 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.541 2.956 -4.099 1.00 0.00 H new ATOM 678 N ASP A 43 -6.830 4.389 -4.849 1.00 0.00 N ATOM 679 CA ASP A 43 -8.012 5.118 -4.292 1.00 0.00 C ATOM 680 C ASP A 43 -8.878 5.930 -5.326 1.00 0.00 C ATOM 681 O ASP A 43 -9.982 6.358 -4.978 1.00 0.00 O ATOM 682 CB ASP A 43 -7.633 6.088 -3.140 1.00 0.00 C ATOM 683 CG ASP A 43 -6.965 5.340 -1.980 1.00 0.00 C ATOM 684 OD1 ASP A 43 -7.484 4.263 -1.582 1.00 0.00 O ATOM 685 OD2 ASP A 43 -5.936 5.852 -1.462 1.00 0.00 O ATOM 0 H ASP A 43 -5.946 4.877 -4.707 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.624 4.292 -3.929 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.958 6.857 -3.516 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.528 6.597 -2.781 1.00 0.00 H new ATOM 690 N GLY A 44 -8.406 6.131 -6.569 1.00 0.00 N ATOM 691 CA GLY A 44 -9.172 6.793 -7.650 1.00 0.00 C ATOM 692 C GLY A 44 -8.544 8.130 -8.082 1.00 0.00 C ATOM 693 O GLY A 44 -8.978 9.193 -7.636 1.00 0.00 O ATOM 0 H GLY A 44 -7.473 5.837 -6.858 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.229 6.127 -8.511 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.194 6.967 -7.313 1.00 0.00 H new ATOM 697 N THR A 45 -7.520 8.056 -8.943 1.00 0.00 N ATOM 698 CA THR A 45 -6.660 9.226 -9.296 1.00 0.00 C ATOM 699 C THR A 45 -6.820 9.612 -10.805 1.00 0.00 C ATOM 700 O THR A 45 -7.357 10.684 -11.096 1.00 0.00 O ATOM 701 CB THR A 45 -5.182 8.972 -9.013 1.00 0.00 C ATOM 702 OG1 THR A 45 -5.036 8.234 -7.805 1.00 0.00 O ATOM 703 CG2 THR A 45 -4.422 10.311 -8.905 1.00 0.00 C ATOM 0 H THR A 45 -7.254 7.194 -9.420 1.00 0.00 H new ATOM 0 HA THR A 45 -6.999 10.046 -8.663 1.00 0.00 H new ATOM 0 HB THR A 45 -4.763 8.393 -9.836 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.244 7.291 -7.971 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.369 10.116 -8.703 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.516 10.860 -9.842 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.843 10.904 -8.093 1.00 0.00 H new ATOM 711 N GLY A 46 -6.343 8.782 -11.756 1.00 0.00 N ATOM 712 CA GLY A 46 -6.254 9.170 -13.202 1.00 0.00 C ATOM 713 C GLY A 46 -4.856 8.914 -13.785 1.00 0.00 C ATOM 714 O GLY A 46 -4.706 8.085 -14.684 1.00 0.00 O ATOM 0 H GLY A 46 -6.011 7.837 -11.561 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.993 8.608 -13.774 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.503 10.226 -13.309 1.00 0.00 H new ATOM 718 N THR A 47 -3.846 9.668 -13.311 1.00 0.00 N ATOM 719 CA THR A 47 -2.441 9.503 -13.778 1.00 0.00 C ATOM 720 C THR A 47 -1.554 8.831 -12.686 1.00 0.00 C ATOM 721 O THR A 47 -1.604 9.141 -11.491 1.00 0.00 O ATOM 722 CB THR A 47 -1.809 10.832 -14.172 1.00 0.00 C ATOM 723 OG1 THR A 47 -2.072 11.837 -13.196 1.00 0.00 O ATOM 724 CG2 THR A 47 -2.410 11.282 -15.521 1.00 0.00 C ATOM 0 H THR A 47 -3.968 10.397 -12.608 1.00 0.00 H new ATOM 0 HA THR A 47 -2.488 8.860 -14.657 1.00 0.00 H new ATOM 0 HB THR A 47 -0.730 10.696 -14.248 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.654 12.679 -13.473 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.967 12.233 -15.817 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.199 10.531 -16.282 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.489 11.400 -15.417 1.00 0.00 H new ATOM 732 N ILE A 48 -0.656 7.985 -13.192 1.00 0.00 N ATOM 733 CA ILE A 48 0.464 7.364 -12.425 1.00 0.00 C ATOM 734 C ILE A 48 1.765 8.147 -12.841 1.00 0.00 C ATOM 735 O ILE A 48 1.892 8.600 -13.992 1.00 0.00 O ATOM 736 CB ILE A 48 0.575 5.873 -12.823 1.00 0.00 C ATOM 737 CG1 ILE A 48 1.701 5.114 -12.105 1.00 0.00 C ATOM 738 CG2 ILE A 48 0.714 5.698 -14.352 1.00 0.00 C ATOM 739 CD1 ILE A 48 1.880 3.658 -12.557 1.00 0.00 C ATOM 0 H ILE A 48 -0.674 7.695 -14.170 1.00 0.00 H new ATOM 0 HA ILE A 48 0.310 7.416 -11.347 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.363 5.428 -12.492 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.639 5.647 -12.262 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.503 5.126 -11.033 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.789 4.637 -14.591 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.160 6.121 -14.848 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.611 6.212 -14.697 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.696 3.201 -11.997 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.959 3.104 -12.373 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.112 3.633 -13.622 1.00 0.00 H new ATOM 751 N ASP A 49 2.748 8.314 -11.929 1.00 0.00 N ATOM 752 CA ASP A 49 3.965 9.139 -12.219 1.00 0.00 C ATOM 753 C ASP A 49 5.190 8.237 -12.627 1.00 0.00 C ATOM 754 O ASP A 49 5.145 7.011 -12.520 1.00 0.00 O ATOM 755 CB ASP A 49 4.380 10.130 -11.083 1.00 0.00 C ATOM 756 CG ASP A 49 5.361 9.572 -10.044 1.00 0.00 C ATOM 757 OD1 ASP A 49 4.997 8.651 -9.271 1.00 0.00 O ATOM 758 OD2 ASP A 49 6.524 10.055 -10.014 1.00 0.00 O ATOM 0 H ASP A 49 2.734 7.900 -10.997 1.00 0.00 H new ATOM 0 HA ASP A 49 3.670 9.763 -13.062 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.826 11.013 -11.540 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.479 10.460 -10.566 1.00 0.00 H new ATOM 763 N VAL A 50 6.319 8.835 -13.057 1.00 0.00 N ATOM 764 CA VAL A 50 7.579 8.071 -13.386 1.00 0.00 C ATOM 765 C VAL A 50 8.174 7.209 -12.236 1.00 0.00 C ATOM 766 O VAL A 50 8.681 6.128 -12.535 1.00 0.00 O ATOM 767 CB VAL A 50 8.688 8.919 -13.993 1.00 0.00 C ATOM 768 CG1 VAL A 50 8.444 8.978 -15.514 1.00 0.00 C ATOM 769 CG2 VAL A 50 8.744 10.310 -13.327 1.00 0.00 C ATOM 0 H VAL A 50 6.402 9.843 -13.190 1.00 0.00 H new ATOM 0 HA VAL A 50 7.204 7.382 -14.143 1.00 0.00 H new ATOM 0 HB VAL A 50 9.668 8.478 -13.813 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.222 9.579 -15.984 1.00 0.00 H new ATOM 0 HG12 VAL A 50 8.467 7.969 -15.926 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.470 9.427 -15.709 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.544 10.897 -13.778 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.792 10.822 -13.472 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.935 10.195 -12.260 1.00 0.00 H new ATOM 779 N LYS A 51 8.107 7.610 -10.964 1.00 0.00 N ATOM 780 CA LYS A 51 8.463 6.716 -9.813 1.00 0.00 C ATOM 781 C LYS A 51 7.676 5.344 -9.800 1.00 0.00 C ATOM 782 O LYS A 51 8.258 4.264 -9.995 1.00 0.00 O ATOM 783 CB LYS A 51 8.194 7.382 -8.441 1.00 0.00 C ATOM 784 CG LYS A 51 8.972 8.688 -8.218 1.00 0.00 C ATOM 785 CD LYS A 51 8.682 9.378 -6.869 1.00 0.00 C ATOM 786 CE LYS A 51 7.437 10.291 -6.827 1.00 0.00 C ATOM 787 NZ LYS A 51 6.153 9.556 -6.931 1.00 0.00 N ATOM 0 H LYS A 51 7.811 8.545 -10.685 1.00 0.00 H new ATOM 0 HA LYS A 51 9.527 6.530 -9.962 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.127 7.587 -8.351 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.452 6.678 -7.650 1.00 0.00 H new ATOM 0 HG2 LYS A 51 10.039 8.477 -8.283 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.735 9.381 -9.025 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.568 8.607 -6.107 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.553 9.973 -6.593 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.446 10.859 -5.897 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.499 11.012 -7.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.370 10.185 -6.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.016 9.233 -7.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.171 8.734 -6.294 1.00 0.00 H new ATOM 801 N GLU A 52 6.338 5.442 -9.715 1.00 0.00 N ATOM 802 CA GLU A 52 5.393 4.305 -9.891 1.00 0.00 C ATOM 803 C GLU A 52 5.486 3.584 -11.284 1.00 0.00 C ATOM 804 O GLU A 52 5.581 2.359 -11.314 1.00 0.00 O ATOM 805 CB GLU A 52 3.984 4.873 -9.719 1.00 0.00 C ATOM 806 CG GLU A 52 3.736 5.567 -8.368 1.00 0.00 C ATOM 807 CD GLU A 52 2.368 6.242 -8.418 1.00 0.00 C ATOM 808 OE1 GLU A 52 2.155 7.079 -9.337 1.00 0.00 O ATOM 809 OE2 GLU A 52 1.521 5.919 -7.546 1.00 0.00 O ATOM 0 H GLU A 52 5.866 6.325 -9.519 1.00 0.00 H new ATOM 0 HA GLU A 52 5.649 3.544 -9.153 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.794 5.587 -10.520 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.263 4.064 -9.835 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.771 4.840 -7.556 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.515 6.303 -8.171 1.00 0.00 H new ATOM 816 N LEU A 53 5.492 4.313 -12.426 1.00 0.00 N ATOM 817 CA LEU A 53 5.668 3.728 -13.782 1.00 0.00 C ATOM 818 C LEU A 53 7.027 2.989 -14.032 1.00 0.00 C ATOM 819 O LEU A 53 7.037 1.985 -14.742 1.00 0.00 O ATOM 820 CB LEU A 53 5.511 4.821 -14.862 1.00 0.00 C ATOM 821 CG LEU A 53 5.327 4.306 -16.304 1.00 0.00 C ATOM 822 CD1 LEU A 53 4.048 3.454 -16.449 1.00 0.00 C ATOM 823 CD2 LEU A 53 5.357 5.473 -17.310 1.00 0.00 C ATOM 0 H LEU A 53 5.375 5.326 -12.435 1.00 0.00 H new ATOM 0 HA LEU A 53 4.888 2.969 -13.846 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.653 5.442 -14.604 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.390 5.465 -14.834 1.00 0.00 H new ATOM 0 HG LEU A 53 6.167 3.650 -16.533 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.955 3.110 -17.479 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.107 2.593 -15.783 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.178 4.056 -16.187 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.225 5.086 -18.320 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.552 6.171 -17.081 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.315 5.988 -17.241 1.00 0.00 H new ATOM 835 N LYS A 54 8.162 3.445 -13.474 1.00 0.00 N ATOM 836 CA LYS A 54 9.445 2.681 -13.480 1.00 0.00 C ATOM 837 C LYS A 54 9.322 1.324 -12.713 1.00 0.00 C ATOM 838 O LYS A 54 9.728 0.291 -13.249 1.00 0.00 O ATOM 839 CB LYS A 54 10.628 3.500 -12.913 1.00 0.00 C ATOM 840 CG LYS A 54 11.073 4.605 -13.889 1.00 0.00 C ATOM 841 CD LYS A 54 11.884 5.749 -13.258 1.00 0.00 C ATOM 842 CE LYS A 54 13.277 5.348 -12.758 1.00 0.00 C ATOM 843 NZ LYS A 54 14.001 6.528 -12.223 1.00 0.00 N ATOM 0 H LYS A 54 8.227 4.349 -13.005 1.00 0.00 H new ATOM 0 HA LYS A 54 9.656 2.470 -14.528 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.338 3.948 -11.963 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.467 2.835 -12.709 1.00 0.00 H new ATOM 0 HG2 LYS A 54 11.671 4.150 -14.679 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.187 5.028 -14.363 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.993 6.547 -13.992 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.317 6.160 -12.422 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.186 4.588 -11.982 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.848 4.904 -13.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 14.942 6.236 -11.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.105 7.241 -12.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.464 6.935 -11.431 1.00 0.00 H new ATOM 857 N VAL A 55 8.732 1.318 -11.496 1.00 0.00 N ATOM 858 CA VAL A 55 8.361 0.032 -10.794 1.00 0.00 C ATOM 859 C VAL A 55 7.349 -0.848 -11.634 1.00 0.00 C ATOM 860 O VAL A 55 7.490 -2.075 -11.683 1.00 0.00 O ATOM 861 CB VAL A 55 7.829 0.268 -9.383 1.00 0.00 C ATOM 862 CG1 VAL A 55 7.621 -1.074 -8.645 1.00 0.00 C ATOM 863 CG2 VAL A 55 8.839 1.143 -8.608 1.00 0.00 C ATOM 0 H VAL A 55 8.499 2.163 -10.974 1.00 0.00 H new ATOM 0 HA VAL A 55 9.290 -0.530 -10.705 1.00 0.00 H new ATOM 0 HB VAL A 55 6.866 0.775 -9.444 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.241 -0.882 -7.641 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.903 -1.684 -9.194 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.571 -1.604 -8.578 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.469 1.318 -7.598 1.00 0.00 H new ATOM 0 HG22 VAL A 55 9.800 0.632 -8.559 1.00 0.00 H new ATOM 0 HG23 VAL A 55 8.961 2.097 -9.120 1.00 0.00 H new ATOM 873 N ALA A 56 6.371 -0.216 -12.312 1.00 0.00 N ATOM 874 CA ALA A 56 5.457 -0.906 -13.270 1.00 0.00 C ATOM 875 C ALA A 56 6.158 -1.556 -14.505 1.00 0.00 C ATOM 876 O ALA A 56 5.869 -2.703 -14.848 1.00 0.00 O ATOM 877 CB ALA A 56 4.374 0.034 -13.835 1.00 0.00 C ATOM 0 H ALA A 56 6.185 0.783 -12.218 1.00 0.00 H new ATOM 0 HA ALA A 56 5.027 -1.693 -12.651 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.737 -0.518 -14.526 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.769 0.425 -13.017 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.849 0.861 -14.362 1.00 0.00 H new ATOM 883 N MET A 57 7.099 -0.835 -15.136 1.00 0.00 N ATOM 884 CA MET A 57 7.973 -1.371 -16.219 1.00 0.00 C ATOM 885 C MET A 57 8.973 -2.491 -15.759 1.00 0.00 C ATOM 886 O MET A 57 9.253 -3.390 -16.553 1.00 0.00 O ATOM 887 CB MET A 57 8.741 -0.207 -16.880 1.00 0.00 C ATOM 888 CG MET A 57 7.993 0.432 -18.074 1.00 0.00 C ATOM 889 SD MET A 57 6.294 1.001 -17.770 1.00 0.00 S ATOM 890 CE MET A 57 6.133 1.962 -19.302 1.00 0.00 C ATOM 0 H MET A 57 7.284 0.143 -14.915 1.00 0.00 H new ATOM 0 HA MET A 57 7.309 -1.856 -16.934 1.00 0.00 H new ATOM 0 HB2 MET A 57 8.935 0.561 -16.131 1.00 0.00 H new ATOM 0 HB3 MET A 57 9.710 -0.570 -17.222 1.00 0.00 H new ATOM 0 HG2 MET A 57 8.578 1.282 -18.425 1.00 0.00 H new ATOM 0 HG3 MET A 57 7.967 -0.294 -18.886 1.00 0.00 H new ATOM 0 HE1 MET A 57 5.080 2.044 -19.571 1.00 0.00 H new ATOM 0 HE2 MET A 57 6.547 2.959 -19.151 1.00 0.00 H new ATOM 0 HE3 MET A 57 6.675 1.461 -20.104 1.00 0.00 H new ATOM 900 N ARG A 58 9.501 -2.474 -14.517 1.00 0.00 N ATOM 901 CA ARG A 58 10.274 -3.621 -13.950 1.00 0.00 C ATOM 902 C ARG A 58 9.410 -4.928 -13.795 1.00 0.00 C ATOM 903 O ARG A 58 9.834 -5.971 -14.300 1.00 0.00 O ATOM 904 CB ARG A 58 10.821 -3.315 -12.536 1.00 0.00 C ATOM 905 CG ARG A 58 11.886 -2.209 -12.497 1.00 0.00 C ATOM 906 CD ARG A 58 12.212 -1.792 -11.055 1.00 0.00 C ATOM 907 NE ARG A 58 13.205 -0.666 -11.076 1.00 0.00 N ATOM 908 CZ ARG A 58 13.484 0.096 -9.973 1.00 0.00 C ATOM 909 NH1 ARG A 58 12.836 -0.121 -8.792 1.00 0.00 N ATOM 910 NH2 ARG A 58 14.424 1.083 -10.058 1.00 0.00 N ATOM 0 H ARG A 58 9.411 -1.682 -13.880 1.00 0.00 H new ATOM 0 HA ARG A 58 11.080 -3.774 -14.667 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.990 -3.026 -11.892 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.246 -4.228 -12.118 1.00 0.00 H new ATOM 0 HG2 ARG A 58 12.793 -2.559 -12.990 1.00 0.00 H new ATOM 0 HG3 ARG A 58 11.533 -1.343 -13.056 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.303 -1.481 -10.540 1.00 0.00 H new ATOM 0 HD3 ARG A 58 12.617 -2.639 -10.502 1.00 0.00 H new ATOM 0 HE ARG A 58 13.692 -0.460 -11.948 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.134 -0.858 -8.723 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.053 0.454 -7.978 1.00 0.00 H new ATOM 0 HH21 ARG A 58 14.912 1.248 -10.938 1.00 0.00 H new ATOM 0 HH22 ARG A 58 14.638 1.655 -9.241 1.00 0.00 H new ATOM 924 N ALA A 59 8.215 -4.895 -13.151 1.00 0.00 N ATOM 925 CA ALA A 59 7.285 -6.064 -13.135 1.00 0.00 C ATOM 926 C ALA A 59 6.636 -6.482 -14.502 1.00 0.00 C ATOM 927 O ALA A 59 6.639 -7.670 -14.829 1.00 0.00 O ATOM 928 CB ALA A 59 6.114 -5.808 -12.166 1.00 0.00 C ATOM 0 H ALA A 59 7.871 -4.082 -12.640 1.00 0.00 H new ATOM 0 HA ALA A 59 7.943 -6.879 -12.833 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.446 -6.669 -12.167 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.502 -5.651 -11.160 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.564 -4.923 -12.485 1.00 0.00 H new ATOM 934 N LEU A 60 6.080 -5.542 -15.288 1.00 0.00 N ATOM 935 CA LEU A 60 5.410 -5.828 -16.594 1.00 0.00 C ATOM 936 C LEU A 60 6.367 -6.027 -17.807 1.00 0.00 C ATOM 937 O LEU A 60 6.131 -6.903 -18.634 1.00 0.00 O ATOM 938 CB LEU A 60 4.494 -4.614 -16.936 1.00 0.00 C ATOM 939 CG LEU A 60 3.285 -4.812 -17.890 1.00 0.00 C ATOM 940 CD1 LEU A 60 2.397 -3.556 -17.871 1.00 0.00 C ATOM 941 CD2 LEU A 60 3.612 -5.201 -19.343 1.00 0.00 C ATOM 0 H LEU A 60 6.077 -4.552 -15.043 1.00 0.00 H new ATOM 0 HA LEU A 60 4.879 -6.770 -16.455 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.107 -4.222 -15.995 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.127 -3.839 -17.368 1.00 0.00 H new ATOM 0 HG LEU A 60 2.764 -5.682 -17.491 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.550 -3.699 -18.542 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.033 -3.383 -16.858 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.978 -2.694 -18.199 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.686 -5.310 -19.908 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.226 -4.424 -19.798 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.156 -6.145 -19.353 1.00 0.00 H new ATOM 953 N GLY A 61 7.408 -5.190 -17.958 1.00 0.00 N ATOM 954 CA GLY A 61 8.417 -5.338 -19.039 1.00 0.00 C ATOM 955 C GLY A 61 9.107 -6.711 -19.170 1.00 0.00 C ATOM 956 O GLY A 61 9.068 -7.292 -20.254 1.00 0.00 O ATOM 0 H GLY A 61 7.579 -4.395 -17.343 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.932 -5.111 -19.988 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.189 -4.584 -18.887 1.00 0.00 H new ATOM 960 N PHE A 62 9.713 -7.214 -18.074 1.00 0.00 N ATOM 961 CA PHE A 62 10.446 -8.532 -18.033 1.00 0.00 C ATOM 962 C PHE A 62 11.689 -8.376 -18.986 1.00 0.00 C ATOM 963 O PHE A 62 12.658 -7.710 -18.604 1.00 0.00 O ATOM 964 CB PHE A 62 9.630 -9.793 -18.437 1.00 0.00 C ATOM 965 CG PHE A 62 8.465 -10.033 -17.516 1.00 0.00 C ATOM 966 CD1 PHE A 62 8.670 -10.514 -16.211 1.00 0.00 C ATOM 967 CD2 PHE A 62 7.147 -9.837 -17.967 1.00 0.00 C ATOM 968 CE1 PHE A 62 7.581 -10.802 -15.378 1.00 0.00 C ATOM 969 CE2 PHE A 62 6.057 -10.117 -17.135 1.00 0.00 C ATOM 970 CZ PHE A 62 6.274 -10.606 -15.841 1.00 0.00 C ATOM 0 H PHE A 62 9.717 -6.727 -17.178 1.00 0.00 H new ATOM 0 HA PHE A 62 10.704 -8.721 -16.991 1.00 0.00 H new ATOM 0 HB2 PHE A 62 9.266 -9.677 -19.458 1.00 0.00 H new ATOM 0 HB3 PHE A 62 10.284 -10.665 -18.429 1.00 0.00 H new ATOM 0 HD1 PHE A 62 9.676 -10.663 -15.847 1.00 0.00 H new ATOM 0 HD2 PHE A 62 6.974 -9.466 -18.967 1.00 0.00 H new ATOM 0 HE1 PHE A 62 7.750 -11.175 -14.379 1.00 0.00 H new ATOM 0 HE2 PHE A 62 5.050 -9.956 -17.491 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.434 -10.832 -15.201 1.00 0.00 H new ATOM 980 N GLU A 63 11.667 -8.917 -20.192 1.00 0.00 N ATOM 981 CA GLU A 63 12.660 -8.672 -21.257 1.00 0.00 C ATOM 982 C GLU A 63 11.853 -8.829 -22.633 1.00 0.00 C ATOM 983 O GLU A 63 11.907 -9.988 -23.075 1.00 0.00 O ATOM 984 CB GLU A 63 13.878 -9.630 -21.318 1.00 0.00 C ATOM 985 CG GLU A 63 14.919 -9.393 -20.211 1.00 0.00 C ATOM 986 CD GLU A 63 16.198 -10.156 -20.544 1.00 0.00 C ATOM 987 OE1 GLU A 63 16.815 -9.829 -21.597 1.00 0.00 O ATOM 988 OE2 GLU A 63 16.579 -11.065 -19.762 1.00 0.00 O ATOM 0 H GLU A 63 10.934 -9.566 -20.480 1.00 0.00 H new ATOM 0 HA GLU A 63 13.094 -7.692 -21.061 1.00 0.00 H new ATOM 0 HB2 GLU A 63 13.522 -10.658 -21.253 1.00 0.00 H new ATOM 0 HB3 GLU A 63 14.364 -9.522 -22.288 1.00 0.00 H new ATOM 0 HG2 GLU A 63 15.132 -8.328 -20.119 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.525 -9.724 -19.250 1.00 0.00 H new ATOM 995 N PRO A 64 11.068 -7.953 -23.405 1.00 0.00 N ATOM 996 CA PRO A 64 10.388 -8.459 -24.643 1.00 0.00 C ATOM 997 C PRO A 64 11.382 -8.722 -25.830 1.00 0.00 C ATOM 998 O PRO A 64 11.329 -9.797 -26.437 1.00 0.00 O ATOM 999 CB PRO A 64 9.360 -7.361 -24.958 1.00 0.00 C ATOM 1000 CG PRO A 64 9.847 -6.085 -24.237 1.00 0.00 C ATOM 1001 CD PRO A 64 10.790 -6.557 -23.114 1.00 0.00 C ATOM 0 HA PRO A 64 9.927 -9.435 -24.493 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.286 -7.195 -26.033 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.367 -7.648 -24.611 1.00 0.00 H new ATOM 0 HG2 PRO A 64 10.367 -5.422 -24.928 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.006 -5.524 -23.829 1.00 0.00 H new ATOM 0 HD2 PRO A 64 11.707 -5.969 -23.098 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.323 -6.445 -22.136 1.00 0.00 H new ATOM 1009 N LYS A 65 12.302 -7.790 -26.135 1.00 0.00 N ATOM 1010 CA LYS A 65 13.427 -8.024 -27.071 1.00 0.00 C ATOM 1011 C LYS A 65 14.704 -7.410 -26.399 1.00 0.00 C ATOM 1012 O LYS A 65 15.446 -8.154 -25.750 1.00 0.00 O ATOM 1013 CB LYS A 65 13.200 -7.433 -28.485 1.00 0.00 C ATOM 1014 CG LYS A 65 14.327 -7.762 -29.479 1.00 0.00 C ATOM 1015 CD LYS A 65 14.205 -7.090 -30.858 1.00 0.00 C ATOM 1016 CE LYS A 65 14.775 -5.659 -30.937 1.00 0.00 C ATOM 1017 NZ LYS A 65 13.874 -4.627 -30.381 1.00 0.00 N ATOM 0 H LYS A 65 12.290 -6.849 -25.741 1.00 0.00 H new ATOM 0 HA LYS A 65 13.532 -9.096 -27.241 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.257 -7.811 -28.880 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.102 -6.350 -28.406 1.00 0.00 H new ATOM 0 HG2 LYS A 65 15.278 -7.470 -29.034 1.00 0.00 H new ATOM 0 HG3 LYS A 65 14.360 -8.842 -29.621 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.716 -7.710 -31.594 1.00 0.00 H new ATOM 0 HD3 LYS A 65 13.153 -7.062 -31.140 1.00 0.00 H new ATOM 0 HE2 LYS A 65 15.724 -5.626 -30.402 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.988 -5.419 -31.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 14.202 -3.685 -30.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.908 -4.783 -30.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.877 -4.686 -29.343 1.00 0.00 H new ATOM 1031 N LYS A 66 14.973 -6.094 -26.543 1.00 0.00 N ATOM 1032 CA LYS A 66 16.091 -5.391 -25.845 1.00 0.00 C ATOM 1033 C LYS A 66 15.747 -3.881 -25.603 1.00 0.00 C ATOM 1034 O LYS A 66 15.436 -3.485 -24.476 1.00 0.00 O ATOM 1035 CB LYS A 66 17.449 -5.455 -26.602 1.00 0.00 C ATOM 1036 CG LYS A 66 18.279 -6.729 -26.340 1.00 0.00 C ATOM 1037 CD LYS A 66 18.922 -6.786 -24.938 1.00 0.00 C ATOM 1038 CE LYS A 66 18.649 -8.068 -24.128 1.00 0.00 C ATOM 1039 NZ LYS A 66 17.253 -8.135 -23.641 1.00 0.00 N ATOM 0 H LYS A 66 14.424 -5.481 -27.146 1.00 0.00 H new ATOM 0 HA LYS A 66 16.203 -5.924 -24.901 1.00 0.00 H new ATOM 0 HB2 LYS A 66 17.256 -5.378 -27.672 1.00 0.00 H new ATOM 0 HB3 LYS A 66 18.045 -4.586 -26.323 1.00 0.00 H new ATOM 0 HG2 LYS A 66 17.637 -7.601 -26.469 1.00 0.00 H new ATOM 0 HG3 LYS A 66 19.065 -6.798 -27.092 1.00 0.00 H new ATOM 0 HD2 LYS A 66 20.000 -6.671 -25.048 1.00 0.00 H new ATOM 0 HD3 LYS A 66 18.568 -5.932 -24.361 1.00 0.00 H new ATOM 0 HE2 LYS A 66 18.858 -8.939 -24.749 1.00 0.00 H new ATOM 0 HE3 LYS A 66 19.331 -8.111 -23.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 17.166 -8.898 -22.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 16.995 -7.229 -23.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 16.615 -8.325 -24.440 1.00 0.00 H new ATOM 1053 N GLU A 67 15.834 -3.044 -26.649 1.00 0.00 N ATOM 1054 CA GLU A 67 15.756 -1.552 -26.539 1.00 0.00 C ATOM 1055 C GLU A 67 14.310 -0.928 -26.618 1.00 0.00 C ATOM 1056 O GLU A 67 14.033 -0.043 -27.444 1.00 0.00 O ATOM 1057 CB GLU A 67 16.768 -0.882 -27.516 1.00 0.00 C ATOM 1058 CG GLU A 67 16.488 -0.866 -29.044 1.00 0.00 C ATOM 1059 CD GLU A 67 16.076 -2.214 -29.631 1.00 0.00 C ATOM 1060 OE1 GLU A 67 16.726 -3.245 -29.322 1.00 0.00 O ATOM 1061 OE2 GLU A 67 15.084 -2.228 -30.410 1.00 0.00 O ATOM 0 H GLU A 67 15.961 -3.371 -27.607 1.00 0.00 H new ATOM 0 HA GLU A 67 16.050 -1.320 -25.515 1.00 0.00 H new ATOM 0 HB2 GLU A 67 16.886 0.154 -27.198 1.00 0.00 H new ATOM 0 HB3 GLU A 67 17.731 -1.372 -27.369 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.701 -0.140 -29.248 1.00 0.00 H new ATOM 0 HG3 GLU A 67 17.383 -0.519 -29.560 1.00 0.00 H new ATOM 1068 N GLU A 68 13.425 -1.308 -25.673 1.00 0.00 N ATOM 1069 CA GLU A 68 11.978 -0.936 -25.675 1.00 0.00 C ATOM 1070 C GLU A 68 11.537 -0.173 -24.392 1.00 0.00 C ATOM 1071 O GLU A 68 10.933 0.904 -24.467 1.00 0.00 O ATOM 1072 CB GLU A 68 11.028 -2.164 -25.751 1.00 0.00 C ATOM 1073 CG GLU A 68 11.187 -3.064 -26.995 1.00 0.00 C ATOM 1074 CD GLU A 68 12.375 -4.009 -26.856 1.00 0.00 C ATOM 1075 OE1 GLU A 68 12.486 -4.685 -25.800 1.00 0.00 O ATOM 1076 OE2 GLU A 68 13.196 -4.082 -27.808 1.00 0.00 O ATOM 0 H GLU A 68 13.688 -1.887 -24.876 1.00 0.00 H new ATOM 0 HA GLU A 68 11.893 -0.309 -26.563 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.184 -2.775 -24.862 1.00 0.00 H new ATOM 0 HB3 GLU A 68 9.999 -1.806 -25.715 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.276 -3.644 -27.144 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.318 -2.442 -27.880 1.00 0.00 H new ATOM 1083 N ILE A 69 11.762 -0.776 -23.211 1.00 0.00 N ATOM 1084 CA ILE A 69 11.203 -0.263 -21.918 1.00 0.00 C ATOM 1085 C ILE A 69 11.882 1.098 -21.484 1.00 0.00 C ATOM 1086 O ILE A 69 11.198 2.034 -21.046 1.00 0.00 O ATOM 1087 CB ILE A 69 11.480 -1.344 -20.876 1.00 0.00 C ATOM 1088 CG1 ILE A 69 10.837 -2.707 -21.270 1.00 0.00 C ATOM 1089 CG2 ILE A 69 11.022 -0.894 -19.484 1.00 0.00 C ATOM 1090 CD1 ILE A 69 9.313 -2.682 -21.455 1.00 0.00 C ATOM 0 H ILE A 69 12.326 -1.620 -23.111 1.00 0.00 H new ATOM 0 HA ILE A 69 10.137 -0.057 -22.020 1.00 0.00 H new ATOM 0 HB ILE A 69 12.559 -1.497 -20.843 1.00 0.00 H new ATOM 0 HG12 ILE A 69 11.294 -3.051 -22.198 1.00 0.00 H new ATOM 0 HG13 ILE A 69 11.082 -3.441 -20.503 1.00 0.00 H new ATOM 0 HG21 ILE A 69 11.230 -1.682 -18.760 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.558 0.011 -19.200 1.00 0.00 H new ATOM 0 HG23 ILE A 69 9.951 -0.691 -19.501 1.00 0.00 H new ATOM 0 HD11 ILE A 69 8.963 -3.678 -21.728 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.838 -2.373 -20.524 1.00 0.00 H new ATOM 0 HD13 ILE A 69 9.054 -1.977 -22.245 1.00 0.00 H new ATOM 1102 N LYS A 70 13.221 1.213 -21.680 1.00 0.00 N ATOM 1103 CA LYS A 70 13.972 2.497 -21.541 1.00 0.00 C ATOM 1104 C LYS A 70 13.430 3.639 -22.488 1.00 0.00 C ATOM 1105 O LYS A 70 13.395 4.804 -22.079 1.00 0.00 O ATOM 1106 CB LYS A 70 15.483 2.298 -21.827 1.00 0.00 C ATOM 1107 CG LYS A 70 16.358 3.521 -21.495 1.00 0.00 C ATOM 1108 CD LYS A 70 17.860 3.277 -21.716 1.00 0.00 C ATOM 1109 CE LYS A 70 18.710 4.514 -21.386 1.00 0.00 C ATOM 1110 NZ LYS A 70 20.154 4.260 -21.603 1.00 0.00 N ATOM 0 H LYS A 70 13.813 0.423 -21.938 1.00 0.00 H new ATOM 0 HA LYS A 70 13.820 2.809 -20.508 1.00 0.00 H new ATOM 0 HB2 LYS A 70 15.840 1.444 -21.252 1.00 0.00 H new ATOM 0 HB3 LYS A 70 15.612 2.049 -22.880 1.00 0.00 H new ATOM 0 HG2 LYS A 70 16.040 4.363 -22.110 1.00 0.00 H new ATOM 0 HG3 LYS A 70 16.193 3.805 -20.456 1.00 0.00 H new ATOM 0 HD2 LYS A 70 18.184 2.441 -21.096 1.00 0.00 H new ATOM 0 HD3 LYS A 70 18.030 2.989 -22.754 1.00 0.00 H new ATOM 0 HE2 LYS A 70 18.390 5.351 -22.006 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.543 4.804 -20.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 20.696 5.117 -21.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 20.464 3.477 -20.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 20.316 4.008 -22.599 1.00 0.00 H new ATOM 1124 N LYS A 71 12.974 3.291 -23.720 1.00 0.00 N ATOM 1125 CA LYS A 71 12.233 4.227 -24.617 1.00 0.00 C ATOM 1126 C LYS A 71 10.917 4.738 -23.945 1.00 0.00 C ATOM 1127 O LYS A 71 10.813 5.946 -23.787 1.00 0.00 O ATOM 1128 CB LYS A 71 11.798 3.638 -25.982 1.00 0.00 C ATOM 1129 CG LYS A 71 12.929 3.050 -26.838 1.00 0.00 C ATOM 1130 CD LYS A 71 13.935 4.097 -27.339 1.00 0.00 C ATOM 1131 CE LYS A 71 14.786 3.605 -28.518 1.00 0.00 C ATOM 1132 NZ LYS A 71 15.525 2.371 -28.174 1.00 0.00 N ATOM 0 H LYS A 71 13.107 2.362 -24.120 1.00 0.00 H new ATOM 0 HA LYS A 71 12.962 5.019 -24.791 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.058 2.858 -25.802 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.302 4.422 -26.555 1.00 0.00 H new ATOM 0 HG2 LYS A 71 13.461 2.299 -26.254 1.00 0.00 H new ATOM 0 HG3 LYS A 71 12.494 2.538 -27.696 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.395 4.995 -27.639 1.00 0.00 H new ATOM 0 HD3 LYS A 71 14.593 4.380 -26.518 1.00 0.00 H new ATOM 0 HE2 LYS A 71 14.144 3.418 -29.379 1.00 0.00 H new ATOM 0 HE3 LYS A 71 15.491 4.384 -28.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 16.142 2.103 -28.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 16.104 2.538 -27.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.850 1.603 -27.986 1.00 0.00 H new ATOM 1146 N MET A 72 9.966 3.879 -23.505 1.00 0.00 N ATOM 1147 CA MET A 72 8.688 4.325 -22.846 1.00 0.00 C ATOM 1148 C MET A 72 8.871 5.311 -21.636 1.00 0.00 C ATOM 1149 O MET A 72 8.221 6.368 -21.626 1.00 0.00 O ATOM 1150 CB MET A 72 7.797 3.151 -22.375 1.00 0.00 C ATOM 1151 CG MET A 72 6.913 2.525 -23.477 1.00 0.00 C ATOM 1152 SD MET A 72 7.788 1.762 -24.877 1.00 0.00 S ATOM 1153 CE MET A 72 7.735 3.156 -26.048 1.00 0.00 C ATOM 0 H MET A 72 10.049 2.866 -23.590 1.00 0.00 H new ATOM 0 HA MET A 72 8.194 4.867 -23.653 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.436 2.374 -21.956 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.153 3.503 -21.569 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.278 1.768 -23.017 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.253 3.300 -23.867 1.00 0.00 H new ATOM 0 HE1 MET A 72 7.057 2.917 -26.868 1.00 0.00 H new ATOM 0 HE2 MET A 72 7.382 4.050 -25.534 1.00 0.00 H new ATOM 0 HE3 MET A 72 8.734 3.336 -26.444 1.00 0.00 H new ATOM 1163 N ILE A 73 9.781 5.019 -20.667 1.00 0.00 N ATOM 1164 CA ILE A 73 10.091 5.982 -19.556 1.00 0.00 C ATOM 1165 C ILE A 73 10.732 7.329 -20.053 1.00 0.00 C ATOM 1166 O ILE A 73 10.275 8.388 -19.620 1.00 0.00 O ATOM 1167 CB ILE A 73 10.997 5.342 -18.501 1.00 0.00 C ATOM 1168 CG1 ILE A 73 10.416 3.996 -17.982 1.00 0.00 C ATOM 1169 CG2 ILE A 73 11.263 6.320 -17.331 1.00 0.00 C ATOM 1170 CD1 ILE A 73 9.051 4.104 -17.288 1.00 0.00 C ATOM 0 H ILE A 73 10.307 4.146 -20.625 1.00 0.00 H new ATOM 0 HA ILE A 73 9.127 6.228 -19.111 1.00 0.00 H new ATOM 0 HB ILE A 73 11.950 5.121 -18.982 1.00 0.00 H new ATOM 0 HG12 ILE A 73 10.326 3.308 -18.823 1.00 0.00 H new ATOM 0 HG13 ILE A 73 11.128 3.555 -17.284 1.00 0.00 H new ATOM 0 HG21 ILE A 73 11.909 5.840 -16.596 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.750 7.218 -17.711 1.00 0.00 H new ATOM 0 HG23 ILE A 73 10.318 6.591 -16.861 1.00 0.00 H new ATOM 0 HD11 ILE A 73 8.730 3.115 -16.962 1.00 0.00 H new ATOM 0 HD12 ILE A 73 9.134 4.762 -16.423 1.00 0.00 H new ATOM 0 HD13 ILE A 73 8.319 4.511 -17.986 1.00 0.00 H new ATOM 1182 N SER A 74 11.734 7.320 -20.960 1.00 0.00 N ATOM 1183 CA SER A 74 12.254 8.566 -21.600 1.00 0.00 C ATOM 1184 C SER A 74 11.261 9.340 -22.556 1.00 0.00 C ATOM 1185 O SER A 74 11.280 10.573 -22.622 1.00 0.00 O ATOM 1186 CB SER A 74 13.548 8.229 -22.394 1.00 0.00 C ATOM 1187 OG SER A 74 14.289 9.386 -22.769 1.00 0.00 O ATOM 0 H SER A 74 12.203 6.469 -21.270 1.00 0.00 H new ATOM 0 HA SER A 74 12.429 9.247 -20.767 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.180 7.580 -21.788 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.282 7.669 -23.290 1.00 0.00 H new ATOM 0 HG SER A 74 15.091 9.115 -23.263 1.00 0.00 H new ATOM 1193 N GLU A 75 10.412 8.610 -23.295 1.00 0.00 N ATOM 1194 CA GLU A 75 9.401 9.132 -24.246 1.00 0.00 C ATOM 1195 C GLU A 75 8.252 9.969 -23.598 1.00 0.00 C ATOM 1196 O GLU A 75 7.938 11.034 -24.136 1.00 0.00 O ATOM 1197 CB GLU A 75 8.769 7.943 -25.009 1.00 0.00 C ATOM 1198 CG GLU A 75 7.800 8.278 -26.154 1.00 0.00 C ATOM 1199 CD GLU A 75 7.407 6.961 -26.823 1.00 0.00 C ATOM 1200 OE1 GLU A 75 8.313 6.300 -27.398 1.00 0.00 O ATOM 1201 OE2 GLU A 75 6.206 6.592 -26.752 1.00 0.00 O ATOM 0 H GLU A 75 10.406 7.591 -23.249 1.00 0.00 H new ATOM 0 HA GLU A 75 9.940 9.814 -24.903 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.577 7.336 -25.417 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.237 7.323 -24.287 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.918 8.792 -25.772 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.273 8.947 -26.873 1.00 0.00 H new ATOM 1208 N ILE A 76 7.610 9.510 -22.504 1.00 0.00 N ATOM 1209 CA ILE A 76 6.617 10.342 -21.739 1.00 0.00 C ATOM 1210 C ILE A 76 7.249 11.388 -20.728 1.00 0.00 C ATOM 1211 O ILE A 76 6.544 12.320 -20.333 1.00 0.00 O ATOM 1212 CB ILE A 76 5.572 9.430 -21.094 1.00 0.00 C ATOM 1213 CG1 ILE A 76 5.027 8.489 -22.207 1.00 0.00 C ATOM 1214 CG2 ILE A 76 4.440 10.239 -20.416 1.00 0.00 C ATOM 1215 CD1 ILE A 76 3.691 7.820 -21.884 1.00 0.00 C ATOM 0 H ILE A 76 7.750 8.575 -22.120 1.00 0.00 H new ATOM 0 HA ILE A 76 6.122 10.988 -22.465 1.00 0.00 H new ATOM 0 HB ILE A 76 6.027 8.843 -20.296 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.917 9.063 -23.127 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.768 7.714 -22.402 1.00 0.00 H new ATOM 0 HG21 ILE A 76 3.719 9.553 -19.971 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.863 10.876 -19.639 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.939 10.858 -21.160 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.392 7.184 -22.717 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.796 7.214 -20.984 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.932 8.584 -21.720 1.00 0.00 H new ATOM 1227 N ASP A 77 8.518 11.242 -20.288 1.00 0.00 N ATOM 1228 CA ASP A 77 9.206 12.219 -19.372 1.00 0.00 C ATOM 1229 C ASP A 77 9.838 13.421 -20.168 1.00 0.00 C ATOM 1230 O ASP A 77 10.998 13.347 -20.587 1.00 0.00 O ATOM 1231 CB ASP A 77 10.298 11.472 -18.551 1.00 0.00 C ATOM 1232 CG ASP A 77 10.833 12.233 -17.335 1.00 0.00 C ATOM 1233 OD1 ASP A 77 10.479 13.425 -17.150 1.00 0.00 O ATOM 1234 OD2 ASP A 77 11.600 11.605 -16.556 1.00 0.00 O ATOM 0 H ASP A 77 9.105 10.450 -20.549 1.00 0.00 H new ATOM 0 HA ASP A 77 8.462 12.640 -18.696 1.00 0.00 H new ATOM 0 HB2 ASP A 77 9.888 10.520 -18.213 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.133 11.242 -19.212 1.00 0.00 H new ATOM 1239 N LYS A 78 9.072 14.515 -20.427 1.00 0.00 N ATOM 1240 CA LYS A 78 9.514 15.604 -21.360 1.00 0.00 C ATOM 1241 C LYS A 78 9.109 17.064 -20.970 1.00 0.00 C ATOM 1242 O LYS A 78 9.988 17.879 -20.680 1.00 0.00 O ATOM 1243 CB LYS A 78 8.973 15.390 -22.798 1.00 0.00 C ATOM 1244 CG LYS A 78 9.702 14.273 -23.557 1.00 0.00 C ATOM 1245 CD LYS A 78 9.077 13.980 -24.926 1.00 0.00 C ATOM 1246 CE LYS A 78 9.865 12.922 -25.711 1.00 0.00 C ATOM 1247 NZ LYS A 78 8.988 12.219 -26.673 1.00 0.00 N ATOM 0 H LYS A 78 8.154 14.672 -20.011 1.00 0.00 H new ATOM 0 HA LYS A 78 10.599 15.520 -21.293 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.910 15.153 -22.748 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.066 16.321 -23.357 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.747 14.553 -23.692 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.691 13.364 -22.956 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.051 13.638 -24.789 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.031 14.901 -25.507 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.689 13.397 -26.243 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.304 12.203 -25.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 9.570 11.659 -27.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.343 11.587 -26.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.434 12.916 -27.211 1.00 0.00 H new ATOM 1261 N GLU A 79 7.825 17.438 -21.085 1.00 0.00 N ATOM 1262 CA GLU A 79 7.337 18.848 -20.958 1.00 0.00 C ATOM 1263 C GLU A 79 7.042 19.201 -19.472 1.00 0.00 C ATOM 1264 O GLU A 79 7.629 20.146 -18.938 1.00 0.00 O ATOM 1265 CB GLU A 79 6.083 19.177 -21.826 1.00 0.00 C ATOM 1266 CG GLU A 79 5.412 17.990 -22.548 1.00 0.00 C ATOM 1267 CD GLU A 79 4.905 16.965 -21.543 1.00 0.00 C ATOM 1268 OE1 GLU A 79 4.099 17.332 -20.647 1.00 0.00 O ATOM 1269 OE2 GLU A 79 5.382 15.799 -21.611 1.00 0.00 O ATOM 0 H GLU A 79 7.076 16.772 -21.271 1.00 0.00 H new ATOM 0 HA GLU A 79 8.151 19.463 -21.341 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.339 19.650 -21.185 1.00 0.00 H new ATOM 0 HB3 GLU A 79 6.372 19.913 -22.576 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.583 18.350 -23.157 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.125 17.520 -23.226 1.00 0.00 H new ATOM 1276 N GLY A 80 6.137 18.459 -18.815 1.00 0.00 N ATOM 1277 CA GLY A 80 5.941 18.555 -17.347 1.00 0.00 C ATOM 1278 C GLY A 80 6.447 17.289 -16.616 1.00 0.00 C ATOM 1279 O GLY A 80 5.752 16.735 -15.764 1.00 0.00 O ATOM 0 H GLY A 80 5.525 17.783 -19.272 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.468 19.430 -16.966 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.883 18.701 -17.130 1.00 0.00 H new ATOM 1283 N THR A 81 7.664 16.848 -16.989 1.00 0.00 N ATOM 1284 CA THR A 81 8.278 15.550 -16.607 1.00 0.00 C ATOM 1285 C THR A 81 7.322 14.371 -17.014 1.00 0.00 C ATOM 1286 O THR A 81 6.597 14.449 -18.015 1.00 0.00 O ATOM 1287 CB THR A 81 8.799 15.487 -15.171 1.00 0.00 C ATOM 1288 OG1 THR A 81 7.754 15.581 -14.208 1.00 0.00 O ATOM 1289 CG2 THR A 81 9.812 16.630 -14.949 1.00 0.00 C ATOM 0 H THR A 81 8.275 17.404 -17.588 1.00 0.00 H new ATOM 0 HA THR A 81 9.199 15.439 -17.179 1.00 0.00 H new ATOM 0 HB THR A 81 9.277 14.517 -15.035 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.942 15.922 -14.638 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.187 16.590 -13.926 1.00 0.00 H new ATOM 0 HG22 THR A 81 10.643 16.520 -15.645 1.00 0.00 H new ATOM 0 HG23 THR A 81 9.322 17.589 -15.119 1.00 0.00 H new ATOM 1297 N GLY A 82 7.345 13.273 -16.267 1.00 0.00 N ATOM 1298 CA GLY A 82 6.670 12.022 -16.657 1.00 0.00 C ATOM 1299 C GLY A 82 5.440 11.680 -15.821 1.00 0.00 C ATOM 1300 O GLY A 82 5.503 11.190 -14.693 1.00 0.00 O ATOM 0 H GLY A 82 7.830 13.216 -15.372 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.374 12.095 -17.703 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.383 11.201 -16.584 1.00 0.00 H new ATOM 1304 N LYS A 83 4.319 11.922 -16.476 1.00 0.00 N ATOM 1305 CA LYS A 83 2.974 11.491 -16.016 1.00 0.00 C ATOM 1306 C LYS A 83 2.270 10.695 -17.154 1.00 0.00 C ATOM 1307 O LYS A 83 2.248 11.111 -18.318 1.00 0.00 O ATOM 1308 CB LYS A 83 2.072 12.673 -15.557 1.00 0.00 C ATOM 1309 CG LYS A 83 1.613 13.720 -16.605 1.00 0.00 C ATOM 1310 CD LYS A 83 2.703 14.602 -17.254 1.00 0.00 C ATOM 1311 CE LYS A 83 3.064 14.180 -18.692 1.00 0.00 C ATOM 1312 NZ LYS A 83 4.184 14.968 -19.233 1.00 0.00 N ATOM 0 H LYS A 83 4.297 12.431 -17.360 1.00 0.00 H new ATOM 0 HA LYS A 83 3.122 10.859 -15.141 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.177 12.247 -15.104 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.605 13.207 -14.770 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.089 13.192 -17.401 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.887 14.378 -16.128 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.363 15.638 -17.263 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.601 14.567 -16.638 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.326 13.122 -18.704 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.192 14.300 -19.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.517 14.536 -20.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.866 15.940 -19.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.962 14.985 -18.543 1.00 0.00 H new ATOM 1326 N MET A 84 1.700 9.542 -16.786 1.00 0.00 N ATOM 1327 CA MET A 84 1.009 8.630 -17.732 1.00 0.00 C ATOM 1328 C MET A 84 -0.443 8.349 -17.249 1.00 0.00 C ATOM 1329 O MET A 84 -0.651 7.963 -16.094 1.00 0.00 O ATOM 1330 CB MET A 84 1.784 7.299 -17.831 1.00 0.00 C ATOM 1331 CG MET A 84 1.417 6.425 -19.036 1.00 0.00 C ATOM 1332 SD MET A 84 2.239 4.810 -19.008 1.00 0.00 S ATOM 1333 CE MET A 84 2.846 4.673 -20.710 1.00 0.00 C ATOM 0 H MET A 84 1.700 9.206 -15.823 1.00 0.00 H new ATOM 0 HA MET A 84 0.971 9.106 -18.712 1.00 0.00 H new ATOM 0 HB2 MET A 84 2.851 7.519 -17.872 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.611 6.726 -16.920 1.00 0.00 H new ATOM 0 HG2 MET A 84 0.337 6.278 -19.057 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.685 6.948 -19.954 1.00 0.00 H new ATOM 0 HE1 MET A 84 2.828 3.628 -21.020 1.00 0.00 H new ATOM 0 HE2 MET A 84 2.209 5.259 -21.372 1.00 0.00 H new ATOM 0 HE3 MET A 84 3.868 5.049 -20.763 1.00 0.00 H new ATOM 1343 N ASN A 85 -1.425 8.455 -18.157 1.00 0.00 N ATOM 1344 CA ASN A 85 -2.826 8.001 -17.884 1.00 0.00 C ATOM 1345 C ASN A 85 -3.026 6.581 -18.532 1.00 0.00 C ATOM 1346 O ASN A 85 -2.154 6.022 -19.215 1.00 0.00 O ATOM 1347 CB ASN A 85 -3.814 9.018 -18.549 1.00 0.00 C ATOM 1348 CG ASN A 85 -5.311 8.666 -18.475 1.00 0.00 C ATOM 1349 OD1 ASN A 85 -5.925 8.367 -19.507 1.00 0.00 O ATOM 1350 ND2 ASN A 85 -5.889 8.666 -17.241 1.00 0.00 N ATOM 0 H ASN A 85 -1.290 8.848 -19.089 1.00 0.00 H new ATOM 0 HA ASN A 85 -3.013 7.948 -16.811 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -3.668 9.992 -18.081 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -3.540 9.125 -19.598 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -6.871 8.411 -17.138 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -5.339 8.920 -16.420 1.00 0.00 H new ATOM 1357 N PHE A 86 -4.169 5.933 -18.252 1.00 0.00 N ATOM 1358 CA PHE A 86 -4.411 4.530 -18.710 1.00 0.00 C ATOM 1359 C PHE A 86 -4.585 4.393 -20.259 1.00 0.00 C ATOM 1360 O PHE A 86 -4.136 3.385 -20.805 1.00 0.00 O ATOM 1361 CB PHE A 86 -5.699 3.980 -18.032 1.00 0.00 C ATOM 1362 CG PHE A 86 -5.884 2.494 -18.226 1.00 0.00 C ATOM 1363 CD1 PHE A 86 -5.090 1.591 -17.504 1.00 0.00 C ATOM 1364 CD2 PHE A 86 -6.853 1.987 -19.111 1.00 0.00 C ATOM 1365 CE1 PHE A 86 -5.266 0.210 -17.641 1.00 0.00 C ATOM 1366 CE2 PHE A 86 -7.023 0.604 -19.263 1.00 0.00 C ATOM 1367 CZ PHE A 86 -6.231 -0.286 -18.526 1.00 0.00 C ATOM 0 H PHE A 86 -4.938 6.340 -17.719 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.524 3.963 -18.427 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.662 4.199 -16.965 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.566 4.503 -18.435 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.332 1.967 -16.833 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.470 2.668 -19.677 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.659 -0.472 -17.065 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.765 0.224 -19.949 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.364 -1.352 -18.640 1.00 0.00 H new ATOM 1377 N GLY A 87 -5.176 5.376 -20.967 1.00 0.00 N ATOM 1378 CA GLY A 87 -5.160 5.401 -22.458 1.00 0.00 C ATOM 1379 C GLY A 87 -3.735 5.378 -23.098 1.00 0.00 C ATOM 1380 O GLY A 87 -3.509 4.587 -24.019 1.00 0.00 O ATOM 0 H GLY A 87 -5.669 6.161 -20.542 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.723 4.544 -22.828 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.681 6.296 -22.798 1.00 0.00 H new ATOM 1384 N ASP A 88 -2.770 6.167 -22.565 1.00 0.00 N ATOM 1385 CA ASP A 88 -1.327 6.071 -22.940 1.00 0.00 C ATOM 1386 C ASP A 88 -0.737 4.648 -22.629 1.00 0.00 C ATOM 1387 O ASP A 88 -0.223 3.991 -23.536 1.00 0.00 O ATOM 1388 CB ASP A 88 -0.438 7.062 -22.144 1.00 0.00 C ATOM 1389 CG ASP A 88 -0.995 8.484 -22.170 1.00 0.00 C ATOM 1390 OD1 ASP A 88 -1.091 9.069 -23.278 1.00 0.00 O ATOM 1391 OD2 ASP A 88 -1.333 8.994 -21.066 1.00 0.00 O ATOM 0 H ASP A 88 -2.962 6.885 -21.867 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.308 6.295 -24.007 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.356 6.725 -21.111 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.569 7.060 -22.561 1.00 0.00 H new ATOM 1396 N PHE A 89 -0.859 4.163 -21.368 1.00 0.00 N ATOM 1397 CA PHE A 89 -0.338 2.833 -20.932 1.00 0.00 C ATOM 1398 C PHE A 89 -0.916 1.601 -21.694 1.00 0.00 C ATOM 1399 O PHE A 89 -0.141 0.760 -22.165 1.00 0.00 O ATOM 1400 CB PHE A 89 -0.616 2.616 -19.417 1.00 0.00 C ATOM 1401 CG PHE A 89 0.218 1.534 -18.757 1.00 0.00 C ATOM 1402 CD1 PHE A 89 1.596 1.368 -19.008 1.00 0.00 C ATOM 1403 CD2 PHE A 89 -0.380 0.725 -17.778 1.00 0.00 C ATOM 1404 CE1 PHE A 89 2.357 0.462 -18.258 1.00 0.00 C ATOM 1405 CE2 PHE A 89 0.375 -0.179 -17.025 1.00 0.00 C ATOM 1406 CZ PHE A 89 1.749 -0.296 -17.252 1.00 0.00 C ATOM 0 H PHE A 89 -1.321 4.680 -20.620 1.00 0.00 H new ATOM 0 HA PHE A 89 0.727 2.879 -21.161 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.443 3.556 -18.894 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.670 2.369 -19.289 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.070 1.946 -19.787 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.443 0.802 -17.603 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.413 0.349 -18.456 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.102 -0.786 -16.270 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.341 -0.971 -16.651 1.00 0.00 H new ATOM 1416 N LEU A 90 -2.245 1.525 -21.860 1.00 0.00 N ATOM 1417 CA LEU A 90 -2.919 0.502 -22.702 1.00 0.00 C ATOM 1418 C LEU A 90 -2.472 0.507 -24.200 1.00 0.00 C ATOM 1419 O LEU A 90 -1.982 -0.522 -24.676 1.00 0.00 O ATOM 1420 CB LEU A 90 -4.459 0.651 -22.640 1.00 0.00 C ATOM 1421 CG LEU A 90 -5.271 -0.494 -23.294 1.00 0.00 C ATOM 1422 CD1 LEU A 90 -5.024 -1.859 -22.620 1.00 0.00 C ATOM 1423 CD2 LEU A 90 -6.774 -0.155 -23.310 1.00 0.00 C ATOM 0 H LEU A 90 -2.895 2.173 -21.414 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.610 -0.452 -22.276 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.756 0.731 -21.594 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.735 1.589 -23.122 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.919 -0.584 -24.322 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.619 -2.624 -23.119 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.967 -2.115 -22.694 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.312 -1.804 -21.570 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.326 -0.972 -23.774 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -7.126 -0.013 -22.288 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.934 0.760 -23.880 1.00 0.00 H new ATOM 1435 N THR A 91 -2.580 1.644 -24.922 1.00 0.00 N ATOM 1436 CA THR A 91 -2.153 1.737 -26.351 1.00 0.00 C ATOM 1437 C THR A 91 -0.620 1.499 -26.555 1.00 0.00 C ATOM 1438 O THR A 91 -0.256 0.628 -27.350 1.00 0.00 O ATOM 1439 CB THR A 91 -2.587 3.015 -27.058 1.00 0.00 C ATOM 1440 OG1 THR A 91 -2.044 4.179 -26.445 1.00 0.00 O ATOM 1441 CG2 THR A 91 -4.130 3.090 -27.032 1.00 0.00 C ATOM 0 H THR A 91 -2.958 2.514 -24.546 1.00 0.00 H new ATOM 0 HA THR A 91 -2.691 0.917 -26.826 1.00 0.00 H new ATOM 0 HB THR A 91 -2.214 2.984 -28.082 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.519 4.359 -25.607 1.00 0.00 H new ATOM 0 HG21 THR A 91 -4.459 4.000 -27.534 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.545 2.222 -27.545 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.476 3.101 -25.999 1.00 0.00 H new ATOM 1449 N VAL A 92 0.266 2.249 -25.861 1.00 0.00 N ATOM 1450 CA VAL A 92 1.744 2.123 -26.042 1.00 0.00 C ATOM 1451 C VAL A 92 2.327 0.738 -25.591 1.00 0.00 C ATOM 1452 O VAL A 92 3.004 0.100 -26.401 1.00 0.00 O ATOM 1453 CB VAL A 92 2.550 3.314 -25.507 1.00 0.00 C ATOM 1454 CG1 VAL A 92 2.866 3.235 -23.998 1.00 0.00 C ATOM 1455 CG2 VAL A 92 3.839 3.465 -26.344 1.00 0.00 C ATOM 0 H VAL A 92 -0.008 2.948 -25.171 1.00 0.00 H new ATOM 0 HA VAL A 92 1.876 2.155 -27.124 1.00 0.00 H new ATOM 0 HB VAL A 92 1.925 4.201 -25.613 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.438 4.114 -23.699 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.935 3.199 -23.433 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.449 2.337 -23.795 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.418 4.309 -25.971 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.433 2.554 -26.265 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.577 3.638 -27.388 1.00 0.00 H new ATOM 1465 N MET A 93 2.051 0.243 -24.363 1.00 0.00 N ATOM 1466 CA MET A 93 2.525 -1.105 -23.925 1.00 0.00 C ATOM 1467 C MET A 93 1.929 -2.301 -24.739 1.00 0.00 C ATOM 1468 O MET A 93 2.711 -3.136 -25.209 1.00 0.00 O ATOM 1469 CB MET A 93 2.265 -1.356 -22.419 1.00 0.00 C ATOM 1470 CG MET A 93 3.004 -2.578 -21.840 1.00 0.00 C ATOM 1471 SD MET A 93 4.824 -2.484 -21.916 1.00 0.00 S ATOM 1472 CE MET A 93 5.059 -1.332 -20.534 1.00 0.00 C ATOM 0 H MET A 93 1.509 0.744 -23.659 1.00 0.00 H new ATOM 0 HA MET A 93 3.597 -1.075 -24.122 1.00 0.00 H new ATOM 0 HB2 MET A 93 2.561 -0.469 -21.859 1.00 0.00 H new ATOM 0 HB3 MET A 93 1.194 -1.488 -22.265 1.00 0.00 H new ATOM 0 HG2 MET A 93 2.705 -2.706 -20.800 1.00 0.00 H new ATOM 0 HG3 MET A 93 2.678 -3.469 -22.377 1.00 0.00 H new ATOM 0 HE1 MET A 93 5.587 -0.445 -20.885 1.00 0.00 H new ATOM 0 HE2 MET A 93 4.088 -1.041 -20.134 1.00 0.00 H new ATOM 0 HE3 MET A 93 5.644 -1.816 -19.752 1.00 0.00 H new ATOM 1482 N THR A 94 0.592 -2.399 -24.931 1.00 0.00 N ATOM 1483 CA THR A 94 -0.018 -3.539 -25.685 1.00 0.00 C ATOM 1484 C THR A 94 0.335 -3.516 -27.208 1.00 0.00 C ATOM 1485 O THR A 94 0.860 -4.528 -27.674 1.00 0.00 O ATOM 1486 CB THR A 94 -1.509 -3.777 -25.463 1.00 0.00 C ATOM 1487 OG1 THR A 94 -2.345 -2.767 -26.016 1.00 0.00 O ATOM 1488 CG2 THR A 94 -1.775 -3.917 -23.952 1.00 0.00 C ATOM 0 H THR A 94 -0.083 -1.718 -24.583 1.00 0.00 H new ATOM 0 HA THR A 94 0.462 -4.406 -25.231 1.00 0.00 H new ATOM 0 HB THR A 94 -1.766 -4.695 -25.992 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.043 -1.887 -25.707 1.00 0.00 H new ATOM 0 HG21 THR A 94 -2.838 -4.087 -23.784 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.206 -4.760 -23.559 1.00 0.00 H new ATOM 0 HG23 THR A 94 -1.469 -3.003 -23.443 1.00 0.00 H new ATOM 1496 N GLN A 95 0.119 -2.417 -27.977 1.00 0.00 N ATOM 1497 CA GLN A 95 0.538 -2.374 -29.411 1.00 0.00 C ATOM 1498 C GLN A 95 2.086 -2.446 -29.675 1.00 0.00 C ATOM 1499 O GLN A 95 2.467 -2.986 -30.716 1.00 0.00 O ATOM 1500 CB GLN A 95 -0.003 -1.092 -30.101 1.00 0.00 C ATOM 1501 CG GLN A 95 0.090 -1.042 -31.642 1.00 0.00 C ATOM 1502 CD GLN A 95 -0.916 -1.998 -32.293 1.00 0.00 C ATOM 1503 OE1 GLN A 95 -2.025 -1.575 -32.642 1.00 0.00 O ATOM 1504 NE2 GLN A 95 -0.526 -3.295 -32.470 1.00 0.00 N ATOM 0 H GLN A 95 -0.332 -1.565 -27.642 1.00 0.00 H new ATOM 0 HA GLN A 95 0.107 -3.283 -29.831 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.049 -0.969 -29.819 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.538 -0.235 -29.699 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -0.096 -0.025 -31.987 1.00 0.00 H new ATOM 0 HG3 GLN A 95 1.100 -1.305 -31.956 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.400 -3.595 -32.165 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.161 -3.963 -32.907 1.00 0.00 H new ATOM 1513 N LYS A 96 2.986 -1.936 -28.802 1.00 0.00 N ATOM 1514 CA LYS A 96 4.451 -2.205 -28.947 1.00 0.00 C ATOM 1515 C LYS A 96 4.881 -3.693 -28.669 1.00 0.00 C ATOM 1516 O LYS A 96 5.771 -4.175 -29.377 1.00 0.00 O ATOM 1517 CB LYS A 96 5.327 -1.274 -28.082 1.00 0.00 C ATOM 1518 CG LYS A 96 6.783 -1.198 -28.575 1.00 0.00 C ATOM 1519 CD LYS A 96 7.628 -0.195 -27.780 1.00 0.00 C ATOM 1520 CE LYS A 96 9.035 0.035 -28.348 1.00 0.00 C ATOM 1521 NZ LYS A 96 8.979 0.649 -29.695 1.00 0.00 N ATOM 0 H LYS A 96 2.740 -1.349 -28.005 1.00 0.00 H new ATOM 0 HA LYS A 96 4.626 -1.999 -30.003 1.00 0.00 H new ATOM 0 HB2 LYS A 96 4.895 -0.273 -28.082 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.315 -1.626 -27.051 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.238 -2.186 -28.504 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.791 -0.918 -29.628 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.102 0.759 -27.746 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.717 -0.547 -26.752 1.00 0.00 H new ATOM 0 HE2 LYS A 96 9.600 0.680 -27.675 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.568 -0.915 -28.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.934 0.947 -29.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 8.614 -0.045 -30.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 8.350 1.477 -29.673 1.00 0.00 H new ATOM 1535 N MET A 97 4.299 -4.422 -27.688 1.00 0.00 N ATOM 1536 CA MET A 97 4.529 -5.892 -27.546 1.00 0.00 C ATOM 1537 C MET A 97 3.788 -6.769 -28.625 1.00 0.00 C ATOM 1538 O MET A 97 4.467 -7.499 -29.352 1.00 0.00 O ATOM 1539 CB MET A 97 4.092 -6.397 -26.148 1.00 0.00 C ATOM 1540 CG MET A 97 4.965 -5.842 -25.006 1.00 0.00 C ATOM 1541 SD MET A 97 4.440 -6.391 -23.349 1.00 0.00 S ATOM 1542 CE MET A 97 5.998 -6.013 -22.491 1.00 0.00 C ATOM 0 H MET A 97 3.672 -4.028 -26.987 1.00 0.00 H new ATOM 0 HA MET A 97 5.603 -6.012 -27.691 1.00 0.00 H new ATOM 0 HB2 MET A 97 3.054 -6.114 -25.974 1.00 0.00 H new ATOM 0 HB3 MET A 97 4.133 -7.486 -26.132 1.00 0.00 H new ATOM 0 HG2 MET A 97 5.999 -6.147 -25.170 1.00 0.00 H new ATOM 0 HG3 MET A 97 4.945 -4.753 -25.042 1.00 0.00 H new ATOM 0 HE1 MET A 97 5.872 -6.174 -21.420 1.00 0.00 H new ATOM 0 HE2 MET A 97 6.787 -6.665 -22.866 1.00 0.00 H new ATOM 0 HE3 MET A 97 6.270 -4.973 -22.672 1.00 0.00 H new ATOM 1552 N SER A 98 2.441 -6.741 -28.716 1.00 0.00 N ATOM 1553 CA SER A 98 1.677 -7.361 -29.834 1.00 0.00 C ATOM 1554 C SER A 98 1.621 -6.480 -31.115 1.00 0.00 C ATOM 1555 O SER A 98 0.860 -5.477 -31.087 1.00 0.00 O ATOM 1556 CB SER A 98 0.239 -7.801 -29.457 1.00 0.00 C ATOM 1557 OG SER A 98 -0.553 -6.697 -29.043 1.00 0.00 O ATOM 1558 OXT SER A 98 2.298 -6.827 -32.116 1.00 0.00 O ATOM 0 H SER A 98 1.848 -6.290 -28.020 1.00 0.00 H new ATOM 0 HA SER A 98 2.256 -8.258 -30.053 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.230 -8.286 -30.313 1.00 0.00 H new ATOM 0 HB3 SER A 98 0.282 -8.540 -28.657 1.00 0.00 H new ATOM 0 HG SER A 98 -0.339 -5.916 -29.595 1.00 0.00 H new