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= 0.286 K(o=1.2,f=0.15) USER MOD Set 1.2: A 98 SER OG : rot 8:sc= 0.943 USER MOD Set 2.1: A 57 MET CE :methyl -178:sc= -0.116 (180deg=-0.142) USER MOD Set 2.2: A 93 MET CE :methyl -179:sc= -0.0188 (180deg=-0.000495) USER MOD Set 2.3: A 97 MET CE :methyl -178:sc= -0.0438 (180deg=-0.0587) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.194 USER MOD Single : A 30 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.049) USER MOD Single : A 31 GLN : amide:sc= -0.418 X(o=-0.42,f=-0.23) USER MOD Single : A 45 THR OG1 : rot -66:sc= 0.599 USER MOD Single : A 47 THR OG1 : rot 103:sc= 0.0135 USER MOD Single : A 51 LYS NZ :NH3+ -144:sc= 0.809 (180deg=-0.0743) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 158:sc= 1.29 (180deg=-0.0552!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -172:sc=-0.00477 (180deg=-0.0822) USER MOD Single : A 71 LYS NZ :NH3+ 168:sc= 2.31 (180deg=2.26) USER MOD Single : A 72 MET CE :methyl 163:sc= -0.0426 (180deg=-0.421) USER MOD Single : A 74 SER OG : rot 89:sc= 1.22 USER MOD Single : A 78 LYS NZ :NH3+ 163:sc= 0.474 (180deg=0.328) USER MOD Single : A 81 THR OG1 : rot -54:sc= 1.21 USER MOD Single : A 83 LYS NZ :NH3+ -176:sc= 1.12 (180deg=1.1) USER MOD Single : A 84 MET CE :methyl -171:sc=-0.00723 (180deg=-0.0363) USER MOD Single : A 85 ASN : amide:sc= 0.929 K(o=0.93,f=-1.2) USER MOD Single : A 91 THR OG1 : rot -74:sc= 0.628 USER MOD Single : A 94 THR OG1 : rot -76:sc= 0.38 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 96 LYS NZ :NH3+ 177:sc= 1.09 (180deg=0.969) USER MOD ----------------------------------------------------------------- ATOM 383 N LEU A 25 -5.612 -7.905 -26.384 1.00 0.00 N ATOM 384 CA LEU A 25 -5.589 -8.130 -24.915 1.00 0.00 C ATOM 385 C LEU A 25 -6.297 -9.475 -24.602 1.00 0.00 C ATOM 386 O LEU A 25 -7.513 -9.540 -24.381 1.00 0.00 O ATOM 387 CB LEU A 25 -6.392 -7.029 -24.181 1.00 0.00 C ATOM 388 CG LEU A 25 -5.820 -5.605 -24.363 1.00 0.00 C ATOM 389 CD1 LEU A 25 -6.914 -4.546 -24.132 1.00 0.00 C ATOM 390 CD2 LEU A 25 -4.587 -5.365 -23.471 1.00 0.00 C ATOM 0 HA LEU A 25 -4.549 -8.126 -24.587 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.421 -7.044 -24.540 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.422 -7.264 -23.117 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.479 -5.510 -25.394 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.491 -3.550 -24.265 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.722 -4.695 -24.848 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.305 -4.642 -23.119 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.215 -4.353 -23.629 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.865 -5.491 -22.425 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.807 -6.082 -23.728 1.00 0.00 H new ATOM 402 N THR A 26 -5.504 -10.551 -24.587 1.00 0.00 N ATOM 403 CA THR A 26 -6.048 -11.941 -24.520 1.00 0.00 C ATOM 404 C THR A 26 -6.238 -12.373 -23.042 1.00 0.00 C ATOM 405 O THR A 26 -7.312 -12.185 -22.462 1.00 0.00 O ATOM 406 CB THR A 26 -5.150 -12.898 -25.297 1.00 0.00 C ATOM 407 OG1 THR A 26 -3.771 -12.700 -24.977 1.00 0.00 O ATOM 408 CG2 THR A 26 -5.352 -12.618 -26.800 1.00 0.00 C ATOM 0 H THR A 26 -4.486 -10.503 -24.620 1.00 0.00 H new ATOM 0 HA THR A 26 -7.030 -11.970 -24.991 1.00 0.00 H new ATOM 0 HB THR A 26 -5.415 -13.923 -25.036 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.222 -13.330 -25.490 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.721 -13.289 -27.383 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.397 -12.782 -27.063 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.081 -11.585 -27.017 1.00 0.00 H new ATOM 416 N GLU A 27 -5.198 -12.954 -22.456 1.00 0.00 N ATOM 417 CA GLU A 27 -5.185 -13.431 -21.048 1.00 0.00 C ATOM 418 C GLU A 27 -3.880 -12.902 -20.384 1.00 0.00 C ATOM 419 O GLU A 27 -3.956 -12.102 -19.450 1.00 0.00 O ATOM 420 CB GLU A 27 -5.198 -14.973 -20.943 1.00 0.00 C ATOM 421 CG GLU A 27 -6.487 -15.595 -21.508 1.00 0.00 C ATOM 422 CD GLU A 27 -6.430 -17.109 -21.343 1.00 0.00 C ATOM 423 OE1 GLU A 27 -5.523 -17.732 -21.955 1.00 0.00 O ATOM 424 OE2 GLU A 27 -7.288 -17.659 -20.602 1.00 0.00 O ATOM 0 H GLU A 27 -4.316 -13.117 -22.942 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.083 -13.062 -20.553 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.339 -15.377 -21.479 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.087 -15.263 -19.898 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.357 -15.193 -20.988 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.598 -15.336 -22.561 1.00 0.00 H new ATOM 431 N GLU A 28 -2.705 -13.267 -20.935 1.00 0.00 N ATOM 432 CA GLU A 28 -1.388 -12.688 -20.564 1.00 0.00 C ATOM 433 C GLU A 28 -1.294 -11.129 -20.708 1.00 0.00 C ATOM 434 O GLU A 28 -1.012 -10.474 -19.703 1.00 0.00 O ATOM 435 CB GLU A 28 -0.273 -13.338 -21.414 1.00 0.00 C ATOM 436 CG GLU A 28 1.164 -12.973 -21.004 1.00 0.00 C ATOM 437 CD GLU A 28 2.126 -13.817 -21.834 1.00 0.00 C ATOM 438 OE1 GLU A 28 2.068 -13.712 -23.089 1.00 0.00 O ATOM 439 OE2 GLU A 28 2.910 -14.596 -21.229 1.00 0.00 O ATOM 0 H GLU A 28 -2.638 -13.981 -21.660 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.263 -12.906 -19.503 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.384 -14.421 -21.362 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.420 -13.052 -22.456 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.349 -11.912 -21.171 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.315 -13.160 -19.941 1.00 0.00 H new ATOM 446 N GLN A 29 -1.567 -10.517 -21.890 1.00 0.00 N ATOM 447 CA GLN A 29 -1.451 -9.025 -22.034 1.00 0.00 C ATOM 448 C GLN A 29 -2.563 -8.231 -21.247 1.00 0.00 C ATOM 449 O GLN A 29 -2.279 -7.197 -20.638 1.00 0.00 O ATOM 450 CB GLN A 29 -1.349 -8.558 -23.509 1.00 0.00 C ATOM 451 CG GLN A 29 -0.849 -7.103 -23.635 1.00 0.00 C ATOM 452 CD GLN A 29 -0.291 -6.771 -25.027 1.00 0.00 C ATOM 453 OE1 GLN A 29 0.790 -6.180 -25.124 1.00 0.00 O ATOM 454 NE2 GLN A 29 -1.035 -7.128 -26.114 1.00 0.00 N ATOM 0 H GLN A 29 -1.860 -11.006 -22.736 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.501 -8.776 -21.561 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -0.672 -9.219 -24.050 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.327 -8.645 -23.983 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.670 -6.423 -23.409 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.074 -6.926 -22.889 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -1.922 -7.615 -25.987 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.704 -6.908 -27.053 1.00 0.00 H new ATOM 463 N LYS A 30 -3.809 -8.748 -21.224 1.00 0.00 N ATOM 464 CA LYS A 30 -4.918 -8.247 -20.353 1.00 0.00 C ATOM 465 C LYS A 30 -4.560 -8.232 -18.818 1.00 0.00 C ATOM 466 O LYS A 30 -4.673 -7.187 -18.160 1.00 0.00 O ATOM 467 CB LYS A 30 -6.150 -9.152 -20.581 1.00 0.00 C ATOM 468 CG LYS A 30 -7.444 -8.710 -19.885 1.00 0.00 C ATOM 469 CD LYS A 30 -8.632 -9.589 -20.312 1.00 0.00 C ATOM 470 CE LYS A 30 -9.952 -9.252 -19.610 1.00 0.00 C ATOM 471 NZ LYS A 30 -9.861 -9.501 -18.151 1.00 0.00 N ATOM 0 H LYS A 30 -4.087 -9.534 -21.812 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.113 -7.211 -20.631 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.339 -9.212 -21.653 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.904 -10.159 -20.244 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.316 -8.766 -18.804 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.653 -7.668 -20.127 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.772 -9.492 -21.389 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.386 -10.632 -20.115 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.206 -8.207 -19.788 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.757 -9.852 -20.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.802 -9.395 -17.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.511 -10.466 -17.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.206 -8.816 -17.722 1.00 0.00 H new ATOM 485 N GLN A 31 -4.084 -9.378 -18.278 1.00 0.00 N ATOM 486 CA GLN A 31 -3.499 -9.467 -16.911 1.00 0.00 C ATOM 487 C GLN A 31 -2.281 -8.520 -16.661 1.00 0.00 C ATOM 488 O GLN A 31 -2.290 -7.860 -15.626 1.00 0.00 O ATOM 489 CB GLN A 31 -3.057 -10.924 -16.600 1.00 0.00 C ATOM 490 CG GLN A 31 -2.409 -11.177 -15.218 1.00 0.00 C ATOM 491 CD GLN A 31 -0.875 -11.147 -15.315 1.00 0.00 C ATOM 492 OE1 GLN A 31 -0.288 -11.988 -16.007 1.00 0.00 O ATOM 493 NE2 GLN A 31 -0.222 -10.176 -14.612 1.00 0.00 N ATOM 0 H GLN A 31 -4.093 -10.269 -18.774 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.299 -9.143 -16.246 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.930 -11.570 -16.689 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -2.350 -11.236 -17.369 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -2.747 -10.420 -14.510 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.734 -12.143 -14.831 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.752 -9.505 -14.056 1.00 0.00 H new ATOM 0 HE22 GLN A 31 0.796 -10.121 -14.643 1.00 0.00 H new ATOM 502 N GLU A 32 -1.279 -8.414 -17.561 1.00 0.00 N ATOM 503 CA GLU A 32 -0.153 -7.431 -17.430 1.00 0.00 C ATOM 504 C GLU A 32 -0.591 -5.953 -17.177 1.00 0.00 C ATOM 505 O GLU A 32 -0.203 -5.358 -16.165 1.00 0.00 O ATOM 506 CB GLU A 32 0.748 -7.426 -18.689 1.00 0.00 C ATOM 507 CG GLU A 32 1.646 -8.669 -18.814 1.00 0.00 C ATOM 508 CD GLU A 32 2.468 -8.564 -20.099 1.00 0.00 C ATOM 509 OE1 GLU A 32 1.852 -8.359 -21.179 1.00 0.00 O ATOM 510 OE2 GLU A 32 3.719 -8.679 -20.015 1.00 0.00 O ATOM 0 H GLU A 32 -1.217 -8.997 -18.396 1.00 0.00 H new ATOM 0 HA GLU A 32 0.383 -7.782 -16.548 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.118 -7.354 -19.575 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.376 -6.535 -18.671 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.306 -8.744 -17.950 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.037 -9.573 -18.830 1.00 0.00 H new ATOM 517 N ILE A 33 -1.419 -5.370 -18.063 1.00 0.00 N ATOM 518 CA ILE A 33 -1.854 -3.946 -17.931 1.00 0.00 C ATOM 519 C ILE A 33 -2.785 -3.706 -16.691 1.00 0.00 C ATOM 520 O ILE A 33 -2.518 -2.727 -15.982 1.00 0.00 O ATOM 521 CB ILE A 33 -2.520 -3.424 -19.218 1.00 0.00 C ATOM 522 CG1 ILE A 33 -1.477 -3.138 -20.333 1.00 0.00 C ATOM 523 CG2 ILE A 33 -3.335 -2.134 -18.964 1.00 0.00 C ATOM 524 CD1 ILE A 33 -1.041 -4.353 -21.153 1.00 0.00 C ATOM 0 H ILE A 33 -1.804 -5.850 -18.877 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.941 -3.374 -17.765 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.193 -4.216 -19.547 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.892 -2.393 -21.012 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.593 -2.695 -19.875 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.788 -1.800 -19.898 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.118 -2.336 -18.233 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.674 -1.356 -18.582 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.313 -4.044 -21.903 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.590 -5.094 -20.493 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.909 -4.788 -21.648 1.00 0.00 H new ATOM 536 N ARG A 34 -3.838 -4.525 -16.380 1.00 0.00 N ATOM 537 CA ARG A 34 -4.587 -4.303 -15.109 1.00 0.00 C ATOM 538 C ARG A 34 -3.732 -4.657 -13.852 1.00 0.00 C ATOM 539 O ARG A 34 -3.763 -3.837 -12.933 1.00 0.00 O ATOM 540 CB ARG A 34 -5.975 -4.988 -14.981 1.00 0.00 C ATOM 541 CG ARG A 34 -6.725 -4.439 -13.747 1.00 0.00 C ATOM 542 CD ARG A 34 -8.179 -4.873 -13.541 1.00 0.00 C ATOM 543 NE ARG A 34 -8.630 -4.190 -12.279 1.00 0.00 N ATOM 544 CZ ARG A 34 -9.839 -4.372 -11.665 1.00 0.00 C ATOM 545 NH1 ARG A 34 -10.787 -5.198 -12.192 1.00 0.00 N ATOM 546 NH2 ARG A 34 -10.067 -3.697 -10.500 1.00 0.00 N ATOM 0 H ARG A 34 -4.170 -5.299 -16.956 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.791 -3.233 -15.156 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.562 -4.810 -15.882 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.850 -6.067 -14.890 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.162 -4.725 -12.859 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -6.705 -3.350 -13.801 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -8.799 -4.580 -14.388 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.255 -5.956 -13.449 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.979 -3.536 -11.844 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -10.602 -5.696 -13.063 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -11.681 -5.318 -11.716 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -9.348 -3.083 -10.117 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -10.956 -3.807 -10.013 1.00 0.00 H new ATOM 560 N GLU A 35 -2.970 -5.775 -13.769 1.00 0.00 N ATOM 561 CA GLU A 35 -2.080 -6.045 -12.599 1.00 0.00 C ATOM 562 C GLU A 35 -1.127 -4.866 -12.246 1.00 0.00 C ATOM 563 O GLU A 35 -1.189 -4.429 -11.099 1.00 0.00 O ATOM 564 CB GLU A 35 -1.249 -7.338 -12.798 1.00 0.00 C ATOM 565 CG GLU A 35 -0.370 -7.795 -11.612 1.00 0.00 C ATOM 566 CD GLU A 35 1.025 -7.172 -11.680 1.00 0.00 C ATOM 567 OE1 GLU A 35 1.697 -7.360 -12.729 1.00 0.00 O ATOM 568 OE2 GLU A 35 1.434 -6.510 -10.691 1.00 0.00 O ATOM 0 H GLU A 35 -2.949 -6.500 -14.486 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.760 -6.173 -11.757 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.936 -8.148 -13.043 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.603 -7.196 -13.664 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.849 -7.517 -10.673 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.286 -8.882 -11.617 1.00 0.00 H new ATOM 575 N ALA A 36 -0.364 -4.283 -13.195 1.00 0.00 N ATOM 576 CA ALA A 36 0.507 -3.122 -12.863 1.00 0.00 C ATOM 577 C ALA A 36 -0.224 -1.764 -12.589 1.00 0.00 C ATOM 578 O ALA A 36 0.052 -1.123 -11.563 1.00 0.00 O ATOM 579 CB ALA A 36 1.517 -2.848 -13.988 1.00 0.00 C ATOM 0 H ALA A 36 -0.328 -4.581 -14.170 1.00 0.00 H new ATOM 0 HA ALA A 36 0.977 -3.439 -11.932 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.140 -1.995 -13.718 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.147 -3.726 -14.133 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.982 -2.629 -14.912 1.00 0.00 H new ATOM 585 N PHE A 37 -1.134 -1.296 -13.475 1.00 0.00 N ATOM 586 CA PHE A 37 -1.818 0.017 -13.261 1.00 0.00 C ATOM 587 C PHE A 37 -2.756 0.026 -12.014 1.00 0.00 C ATOM 588 O PHE A 37 -2.676 0.975 -11.236 1.00 0.00 O ATOM 589 CB PHE A 37 -2.677 0.394 -14.496 1.00 0.00 C ATOM 590 CG PHE A 37 -2.891 1.882 -14.586 1.00 0.00 C ATOM 591 CD1 PHE A 37 -3.873 2.536 -13.815 1.00 0.00 C ATOM 592 CD2 PHE A 37 -2.104 2.645 -15.465 1.00 0.00 C ATOM 593 CE1 PHE A 37 -4.035 3.923 -13.895 1.00 0.00 C ATOM 594 CE2 PHE A 37 -2.286 4.025 -15.568 1.00 0.00 C ATOM 595 CZ PHE A 37 -3.234 4.666 -14.769 1.00 0.00 C ATOM 0 H PHE A 37 -1.412 -1.787 -14.325 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.017 0.739 -13.100 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.187 0.040 -15.403 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.641 -0.110 -14.437 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -4.506 1.961 -13.156 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.351 2.159 -16.067 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.775 4.418 -13.285 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.693 4.597 -16.266 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.350 5.738 -14.826 1.00 0.00 H new ATOM 605 N ASP A 38 -3.581 -1.018 -11.791 1.00 0.00 N ATOM 606 CA ASP A 38 -4.342 -1.188 -10.519 1.00 0.00 C ATOM 607 C ASP A 38 -3.406 -1.376 -9.254 1.00 0.00 C ATOM 608 O ASP A 38 -3.752 -0.856 -8.195 1.00 0.00 O ATOM 609 CB ASP A 38 -5.273 -2.428 -10.649 1.00 0.00 C ATOM 610 CG ASP A 38 -6.494 -2.416 -9.727 1.00 0.00 C ATOM 611 OD1 ASP A 38 -6.328 -2.489 -8.486 1.00 0.00 O ATOM 612 OD2 ASP A 38 -7.631 -2.393 -10.280 1.00 0.00 O ATOM 0 H ASP A 38 -3.743 -1.761 -12.471 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.915 -0.274 -10.362 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.616 -2.500 -11.681 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.689 -3.325 -10.444 1.00 0.00 H new ATOM 617 N LEU A 39 -2.205 -2.026 -9.322 1.00 0.00 N ATOM 618 CA LEU A 39 -1.200 -2.026 -8.217 1.00 0.00 C ATOM 619 C LEU A 39 -0.854 -0.597 -7.677 1.00 0.00 C ATOM 620 O LEU A 39 -0.919 -0.340 -6.471 1.00 0.00 O ATOM 621 CB LEU A 39 0.110 -2.763 -8.600 1.00 0.00 C ATOM 622 CG LEU A 39 1.169 -2.928 -7.481 1.00 0.00 C ATOM 623 CD1 LEU A 39 0.619 -3.641 -6.229 1.00 0.00 C ATOM 624 CD2 LEU A 39 2.411 -3.663 -8.026 1.00 0.00 C ATOM 0 H LEU A 39 -1.910 -2.560 -10.139 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.692 -2.574 -7.413 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.153 -3.755 -8.968 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.572 -2.227 -9.429 1.00 0.00 H new ATOM 0 HG LEU A 39 1.452 -1.925 -7.163 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.409 -3.726 -5.482 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.210 -3.065 -5.817 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.269 -4.637 -6.502 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.147 -3.772 -7.230 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.120 -4.649 -8.389 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.844 -3.088 -8.844 1.00 0.00 H new ATOM 636 N PHE A 40 -0.431 0.289 -8.595 1.00 0.00 N ATOM 637 CA PHE A 40 -0.030 1.681 -8.265 1.00 0.00 C ATOM 638 C PHE A 40 -1.237 2.668 -8.096 1.00 0.00 C ATOM 639 O PHE A 40 -1.206 3.500 -7.183 1.00 0.00 O ATOM 640 CB PHE A 40 1.036 2.233 -9.226 1.00 0.00 C ATOM 641 CG PHE A 40 2.267 1.379 -9.047 1.00 0.00 C ATOM 642 CD1 PHE A 40 3.061 1.523 -7.894 1.00 0.00 C ATOM 643 CD2 PHE A 40 2.583 0.356 -9.958 1.00 0.00 C ATOM 644 CE1 PHE A 40 4.134 0.657 -7.650 1.00 0.00 C ATOM 645 CE2 PHE A 40 3.642 -0.524 -9.706 1.00 0.00 C ATOM 646 CZ PHE A 40 4.416 -0.376 -8.551 1.00 0.00 C ATOM 0 H PHE A 40 -0.355 0.067 -9.588 1.00 0.00 H new ATOM 0 HA PHE A 40 0.431 1.613 -7.280 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.685 2.194 -10.257 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.254 3.277 -9.003 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.840 2.311 -7.189 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.002 0.248 -10.862 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.743 0.786 -6.768 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.861 -1.318 -10.404 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.230 -1.058 -8.355 1.00 0.00 H new ATOM 656 N ASP A 41 -2.296 2.567 -8.921 1.00 0.00 N ATOM 657 CA ASP A 41 -3.579 3.290 -8.730 1.00 0.00 C ATOM 658 C ASP A 41 -4.737 2.286 -8.387 1.00 0.00 C ATOM 659 O ASP A 41 -5.503 1.866 -9.260 1.00 0.00 O ATOM 660 CB ASP A 41 -3.951 4.087 -10.014 1.00 0.00 C ATOM 661 CG ASP A 41 -5.110 5.068 -9.837 1.00 0.00 C ATOM 662 OD1 ASP A 41 -5.656 5.213 -8.710 1.00 0.00 O ATOM 663 OD2 ASP A 41 -5.466 5.728 -10.850 1.00 0.00 O ATOM 0 H ASP A 41 -2.290 1.975 -9.751 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.452 3.984 -7.899 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.073 4.638 -10.351 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.207 3.381 -10.804 1.00 0.00 H new ATOM 668 N ALA A 42 -4.865 1.912 -7.097 1.00 0.00 N ATOM 669 CA ALA A 42 -5.883 0.905 -6.648 1.00 0.00 C ATOM 670 C ALA A 42 -7.324 1.454 -6.374 1.00 0.00 C ATOM 671 O ALA A 42 -8.302 0.740 -6.610 1.00 0.00 O ATOM 672 CB ALA A 42 -5.430 0.206 -5.352 1.00 0.00 C ATOM 0 H ALA A 42 -4.286 2.282 -6.343 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.945 0.229 -7.501 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.184 -0.519 -5.047 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.484 -0.306 -5.527 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.301 0.948 -4.564 1.00 0.00 H new ATOM 678 N ASP A 43 -7.466 2.699 -5.882 1.00 0.00 N ATOM 679 CA ASP A 43 -8.777 3.402 -5.785 1.00 0.00 C ATOM 680 C ASP A 43 -9.451 3.759 -7.166 1.00 0.00 C ATOM 681 O ASP A 43 -10.671 3.629 -7.301 1.00 0.00 O ATOM 682 CB ASP A 43 -8.592 4.719 -4.979 1.00 0.00 C ATOM 683 CG ASP A 43 -9.926 5.344 -4.563 1.00 0.00 C ATOM 684 OD1 ASP A 43 -10.688 4.669 -3.821 1.00 0.00 O ATOM 685 OD2 ASP A 43 -10.184 6.509 -4.967 1.00 0.00 O ATOM 0 H ASP A 43 -6.681 3.253 -5.539 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.446 2.697 -5.291 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.996 4.516 -4.089 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.032 5.434 -5.581 1.00 0.00 H new ATOM 690 N GLY A 44 -8.673 4.196 -8.174 1.00 0.00 N ATOM 691 CA GLY A 44 -9.200 4.657 -9.486 1.00 0.00 C ATOM 692 C GLY A 44 -9.174 6.189 -9.646 1.00 0.00 C ATOM 693 O GLY A 44 -10.226 6.822 -9.765 1.00 0.00 O ATOM 0 H GLY A 44 -7.656 4.242 -8.108 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.613 4.205 -10.285 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.224 4.303 -9.603 1.00 0.00 H new ATOM 697 N THR A 45 -7.969 6.773 -9.656 1.00 0.00 N ATOM 698 CA THR A 45 -7.768 8.249 -9.585 1.00 0.00 C ATOM 699 C THR A 45 -7.388 8.854 -10.974 1.00 0.00 C ATOM 700 O THR A 45 -8.080 9.768 -11.434 1.00 0.00 O ATOM 701 CB THR A 45 -6.757 8.637 -8.510 1.00 0.00 C ATOM 702 OG1 THR A 45 -5.489 8.006 -8.675 1.00 0.00 O ATOM 703 CG2 THR A 45 -7.329 8.269 -7.124 1.00 0.00 C ATOM 0 H THR A 45 -7.097 6.246 -9.713 1.00 0.00 H new ATOM 0 HA THR A 45 -8.726 8.681 -9.296 1.00 0.00 H new ATOM 0 HB THR A 45 -6.592 9.711 -8.599 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.583 7.041 -8.536 1.00 0.00 H new ATOM 0 HG21 THR A 45 -6.612 8.543 -6.350 1.00 0.00 H new ATOM 0 HG22 THR A 45 -8.263 8.807 -6.961 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.517 7.196 -7.081 1.00 0.00 H new ATOM 711 N GLY A 46 -6.307 8.393 -11.632 1.00 0.00 N ATOM 712 CA GLY A 46 -5.887 8.965 -12.938 1.00 0.00 C ATOM 713 C GLY A 46 -4.512 8.503 -13.440 1.00 0.00 C ATOM 714 O GLY A 46 -4.453 7.829 -14.470 1.00 0.00 O ATOM 0 H GLY A 46 -5.712 7.637 -11.292 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.635 8.707 -13.687 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.880 10.052 -12.855 1.00 0.00 H new ATOM 718 N THR A 47 -3.425 8.936 -12.776 1.00 0.00 N ATOM 719 CA THR A 47 -2.040 8.734 -13.300 1.00 0.00 C ATOM 720 C THR A 47 -1.125 7.883 -12.368 1.00 0.00 C ATOM 721 O THR A 47 -1.132 7.973 -11.138 1.00 0.00 O ATOM 722 CB THR A 47 -1.307 10.030 -13.647 1.00 0.00 C ATOM 723 OG1 THR A 47 -1.189 10.906 -12.528 1.00 0.00 O ATOM 724 CG2 THR A 47 -2.074 10.749 -14.778 1.00 0.00 C ATOM 0 H THR A 47 -3.466 9.425 -11.882 1.00 0.00 H new ATOM 0 HA THR A 47 -2.218 8.177 -14.220 1.00 0.00 H new ATOM 0 HB THR A 47 -0.297 9.768 -13.963 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.279 10.855 -12.167 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.560 11.676 -15.034 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.118 10.104 -15.655 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.086 10.976 -14.444 1.00 0.00 H new ATOM 732 N ILE A 48 -0.293 7.087 -13.050 1.00 0.00 N ATOM 733 CA ILE A 48 0.839 6.331 -12.453 1.00 0.00 C ATOM 734 C ILE A 48 2.075 7.048 -13.102 1.00 0.00 C ATOM 735 O ILE A 48 2.209 7.158 -14.327 1.00 0.00 O ATOM 736 CB ILE A 48 0.841 4.832 -12.811 1.00 0.00 C ATOM 737 CG1 ILE A 48 2.084 4.105 -12.243 1.00 0.00 C ATOM 738 CG2 ILE A 48 0.709 4.594 -14.332 1.00 0.00 C ATOM 739 CD1 ILE A 48 2.208 2.636 -12.667 1.00 0.00 C ATOM 0 H ILE A 48 -0.381 6.940 -14.056 1.00 0.00 H new ATOM 0 HA ILE A 48 0.811 6.338 -11.363 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.041 4.402 -12.337 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.979 4.639 -12.561 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.053 4.155 -11.155 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.715 3.523 -14.535 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.227 5.025 -14.688 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.545 5.066 -14.848 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.106 2.204 -12.225 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.333 2.083 -12.325 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.273 2.575 -13.753 1.00 0.00 H new ATOM 751 N ASP A 49 2.967 7.565 -12.254 1.00 0.00 N ATOM 752 CA ASP A 49 4.076 8.470 -12.693 1.00 0.00 C ATOM 753 C ASP A 49 5.425 7.661 -12.826 1.00 0.00 C ATOM 754 O ASP A 49 5.530 6.494 -12.437 1.00 0.00 O ATOM 755 CB ASP A 49 4.293 9.668 -11.731 1.00 0.00 C ATOM 756 CG ASP A 49 3.209 10.735 -11.930 1.00 0.00 C ATOM 757 OD1 ASP A 49 1.996 10.404 -11.852 1.00 0.00 O ATOM 758 OD2 ASP A 49 3.596 11.913 -12.158 1.00 0.00 O ATOM 0 H ASP A 49 2.958 7.382 -11.251 1.00 0.00 H new ATOM 0 HA ASP A 49 3.780 8.873 -13.661 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.279 9.318 -10.699 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.276 10.106 -11.905 1.00 0.00 H new ATOM 763 N VAL A 50 6.468 8.255 -13.444 1.00 0.00 N ATOM 764 CA VAL A 50 7.736 7.535 -13.839 1.00 0.00 C ATOM 765 C VAL A 50 8.483 6.733 -12.725 1.00 0.00 C ATOM 766 O VAL A 50 9.025 5.678 -13.060 1.00 0.00 O ATOM 767 CB VAL A 50 8.750 8.445 -14.528 1.00 0.00 C ATOM 768 CG1 VAL A 50 8.328 8.626 -16.000 1.00 0.00 C ATOM 769 CG2 VAL A 50 8.885 9.792 -13.783 1.00 0.00 C ATOM 0 H VAL A 50 6.472 9.245 -13.691 1.00 0.00 H new ATOM 0 HA VAL A 50 7.335 6.795 -14.531 1.00 0.00 H new ATOM 0 HB VAL A 50 9.739 7.988 -14.503 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.043 9.274 -16.506 1.00 0.00 H new ATOM 0 HG12 VAL A 50 8.306 7.655 -16.494 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.337 9.077 -16.041 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.614 10.420 -14.296 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.919 10.297 -13.766 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.218 9.611 -12.761 1.00 0.00 H new ATOM 779 N LYS A 51 8.536 7.156 -11.447 1.00 0.00 N ATOM 780 CA LYS A 51 9.053 6.285 -10.341 1.00 0.00 C ATOM 781 C LYS A 51 8.267 4.921 -10.193 1.00 0.00 C ATOM 782 O LYS A 51 8.836 3.833 -10.373 1.00 0.00 O ATOM 783 CB LYS A 51 9.259 7.011 -8.979 1.00 0.00 C ATOM 784 CG LYS A 51 8.082 7.789 -8.351 1.00 0.00 C ATOM 785 CD LYS A 51 7.743 9.143 -9.004 1.00 0.00 C ATOM 786 CE LYS A 51 6.819 10.041 -8.157 1.00 0.00 C ATOM 787 NZ LYS A 51 5.440 9.512 -8.074 1.00 0.00 N ATOM 0 H LYS A 51 8.234 8.082 -11.144 1.00 0.00 H new ATOM 0 HA LYS A 51 10.059 6.023 -10.668 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.581 6.263 -8.255 1.00 0.00 H new ATOM 0 HB3 LYS A 51 10.085 7.711 -9.103 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.194 7.158 -8.388 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.307 7.962 -7.299 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.671 9.680 -9.202 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.268 8.960 -9.968 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.230 10.135 -7.152 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.796 11.042 -8.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.764 10.303 -8.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.254 8.898 -8.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.331 8.963 -7.197 1.00 0.00 H new ATOM 801 N GLU A 52 6.952 5.020 -9.935 1.00 0.00 N ATOM 802 CA GLU A 52 5.991 3.883 -9.969 1.00 0.00 C ATOM 803 C GLU A 52 6.004 3.068 -11.309 1.00 0.00 C ATOM 804 O GLU A 52 6.125 1.846 -11.251 1.00 0.00 O ATOM 805 CB GLU A 52 4.530 4.328 -9.737 1.00 0.00 C ATOM 806 CG GLU A 52 4.245 4.980 -8.367 1.00 0.00 C ATOM 807 CD GLU A 52 4.663 6.444 -8.325 1.00 0.00 C ATOM 808 OE1 GLU A 52 4.839 7.063 -9.408 1.00 0.00 O ATOM 809 OE2 GLU A 52 4.841 6.984 -7.198 1.00 0.00 O ATOM 0 H GLU A 52 6.510 5.906 -9.691 1.00 0.00 H new ATOM 0 HA GLU A 52 6.340 3.247 -9.155 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.255 5.034 -10.520 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.881 3.459 -9.849 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.181 4.902 -8.144 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.775 4.431 -7.589 1.00 0.00 H new ATOM 816 N LEU A 53 5.938 3.711 -12.499 1.00 0.00 N ATOM 817 CA LEU A 53 6.078 3.012 -13.809 1.00 0.00 C ATOM 818 C LEU A 53 7.432 2.240 -14.048 1.00 0.00 C ATOM 819 O LEU A 53 7.417 1.164 -14.649 1.00 0.00 O ATOM 820 CB LEU A 53 5.880 4.005 -14.980 1.00 0.00 C ATOM 821 CG LEU A 53 5.615 3.355 -16.360 1.00 0.00 C ATOM 822 CD1 LEU A 53 4.282 2.580 -16.407 1.00 0.00 C ATOM 823 CD2 LEU A 53 5.678 4.410 -17.478 1.00 0.00 C ATOM 0 H LEU A 53 5.788 4.716 -12.584 1.00 0.00 H new ATOM 0 HA LEU A 53 5.298 2.252 -13.773 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.045 4.663 -14.740 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.768 4.633 -15.057 1.00 0.00 H new ATOM 0 HG LEU A 53 6.406 2.623 -16.523 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.148 2.146 -17.398 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.297 1.785 -15.661 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.458 3.261 -16.195 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.489 3.933 -18.440 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.923 5.176 -17.299 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.666 4.870 -17.489 1.00 0.00 H new ATOM 835 N LYS A 54 8.585 2.745 -13.571 1.00 0.00 N ATOM 836 CA LYS A 54 9.877 1.992 -13.554 1.00 0.00 C ATOM 837 C LYS A 54 9.853 0.677 -12.704 1.00 0.00 C ATOM 838 O LYS A 54 10.158 -0.399 -13.238 1.00 0.00 O ATOM 839 CB LYS A 54 11.060 2.855 -13.055 1.00 0.00 C ATOM 840 CG LYS A 54 11.469 3.935 -14.070 1.00 0.00 C ATOM 841 CD LYS A 54 12.330 5.053 -13.462 1.00 0.00 C ATOM 842 CE LYS A 54 12.572 6.201 -14.453 1.00 0.00 C ATOM 843 NZ LYS A 54 13.286 7.337 -13.824 1.00 0.00 N ATOM 0 H LYS A 54 8.659 3.686 -13.184 1.00 0.00 H new ATOM 0 HA LYS A 54 10.017 1.720 -14.600 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.787 3.331 -12.113 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.915 2.211 -12.850 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.020 3.466 -14.885 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.570 4.374 -14.503 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.840 5.442 -12.570 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.288 4.640 -13.145 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.151 5.833 -15.300 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.616 6.547 -14.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.429 8.090 -14.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.722 7.706 -13.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.209 7.014 -13.471 1.00 0.00 H new ATOM 857 N VAL A 55 9.465 0.735 -11.409 1.00 0.00 N ATOM 858 CA VAL A 55 9.207 -0.517 -10.605 1.00 0.00 C ATOM 859 C VAL A 55 8.043 -1.421 -11.162 1.00 0.00 C ATOM 860 O VAL A 55 8.124 -2.653 -11.077 1.00 0.00 O ATOM 861 CB VAL A 55 9.046 -0.266 -9.112 1.00 0.00 C ATOM 862 CG1 VAL A 55 10.386 0.271 -8.566 1.00 0.00 C ATOM 863 CG2 VAL A 55 7.889 0.706 -8.824 1.00 0.00 C ATOM 0 H VAL A 55 9.322 1.604 -10.895 1.00 0.00 H new ATOM 0 HA VAL A 55 10.125 -1.090 -10.734 1.00 0.00 H new ATOM 0 HB VAL A 55 8.792 -1.199 -8.609 1.00 0.00 H new ATOM 0 HG11 VAL A 55 10.294 0.458 -7.496 1.00 0.00 H new ATOM 0 HG12 VAL A 55 11.171 -0.465 -8.739 1.00 0.00 H new ATOM 0 HG13 VAL A 55 10.641 1.200 -9.076 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.804 0.862 -7.749 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.084 1.660 -9.314 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.958 0.286 -9.205 1.00 0.00 H new ATOM 873 N ALA A 56 7.009 -0.818 -11.777 1.00 0.00 N ATOM 874 CA ALA A 56 5.956 -1.549 -12.539 1.00 0.00 C ATOM 875 C ALA A 56 6.484 -2.395 -13.743 1.00 0.00 C ATOM 876 O ALA A 56 6.121 -3.566 -13.861 1.00 0.00 O ATOM 877 CB ALA A 56 4.887 -0.605 -13.121 1.00 0.00 C ATOM 0 H ALA A 56 6.872 0.193 -11.765 1.00 0.00 H new ATOM 0 HA ALA A 56 5.541 -2.216 -11.783 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.145 -1.188 -13.666 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.399 -0.064 -12.310 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.359 0.106 -13.799 1.00 0.00 H new ATOM 883 N MET A 57 7.371 -1.830 -14.587 1.00 0.00 N ATOM 884 CA MET A 57 8.106 -2.601 -15.635 1.00 0.00 C ATOM 885 C MET A 57 9.095 -3.678 -15.079 1.00 0.00 C ATOM 886 O MET A 57 9.265 -4.701 -15.748 1.00 0.00 O ATOM 887 CB MET A 57 8.868 -1.642 -16.569 1.00 0.00 C ATOM 888 CG MET A 57 8.042 -1.150 -17.780 1.00 0.00 C ATOM 889 SD MET A 57 6.438 -0.370 -17.424 1.00 0.00 S ATOM 890 CE MET A 57 6.214 0.215 -19.126 1.00 0.00 C ATOM 0 H MET A 57 7.603 -0.837 -14.570 1.00 0.00 H new ATOM 0 HA MET A 57 7.336 -3.147 -16.181 1.00 0.00 H new ATOM 0 HB2 MET A 57 9.198 -0.778 -15.993 1.00 0.00 H new ATOM 0 HB3 MET A 57 9.764 -2.143 -16.934 1.00 0.00 H new ATOM 0 HG2 MET A 57 8.649 -0.436 -18.337 1.00 0.00 H new ATOM 0 HG3 MET A 57 7.866 -2.001 -18.438 1.00 0.00 H new ATOM 0 HE1 MET A 57 5.286 0.783 -19.196 1.00 0.00 H new ATOM 0 HE2 MET A 57 7.053 0.853 -19.405 1.00 0.00 H new ATOM 0 HE3 MET A 57 6.168 -0.639 -19.801 1.00 0.00 H new ATOM 900 N ARG A 58 9.738 -3.509 -13.900 1.00 0.00 N ATOM 901 CA ARG A 58 10.504 -4.624 -13.250 1.00 0.00 C ATOM 902 C ARG A 58 9.587 -5.866 -12.910 1.00 0.00 C ATOM 903 O ARG A 58 9.948 -6.983 -13.289 1.00 0.00 O ATOM 904 CB ARG A 58 11.180 -4.204 -11.926 1.00 0.00 C ATOM 905 CG ARG A 58 12.171 -3.041 -12.079 1.00 0.00 C ATOM 906 CD ARG A 58 12.782 -2.621 -10.736 1.00 0.00 C ATOM 907 NE ARG A 58 13.586 -1.370 -10.938 1.00 0.00 N ATOM 908 CZ ARG A 58 14.192 -0.704 -9.905 1.00 0.00 C ATOM 909 NH1 ARG A 58 14.101 -1.172 -8.627 1.00 0.00 N ATOM 910 NH2 ARG A 58 14.894 0.440 -10.161 1.00 0.00 N ATOM 0 H ARG A 58 9.749 -2.632 -13.379 1.00 0.00 H new ATOM 0 HA ARG A 58 11.260 -4.889 -13.990 1.00 0.00 H new ATOM 0 HB2 ARG A 58 10.409 -3.921 -11.209 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.704 -5.063 -11.508 1.00 0.00 H new ATOM 0 HG2 ARG A 58 12.968 -3.332 -12.764 1.00 0.00 H new ATOM 0 HG3 ARG A 58 11.661 -2.188 -12.527 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.995 -2.449 -10.001 1.00 0.00 H new ATOM 0 HD3 ARG A 58 13.415 -3.417 -10.345 1.00 0.00 H new ATOM 0 HE ARG A 58 13.686 -1.000 -11.883 1.00 0.00 H new ATOM 0 HH11 ARG A 58 13.578 -2.026 -8.433 1.00 0.00 H new ATOM 0 HH12 ARG A 58 14.556 -0.668 -7.866 1.00 0.00 H new ATOM 0 HH21 ARG A 58 14.964 0.793 -11.116 1.00 0.00 H new ATOM 0 HH22 ARG A 58 15.348 0.941 -9.398 1.00 0.00 H new ATOM 924 N ALA A 59 8.413 -5.691 -12.252 1.00 0.00 N ATOM 925 CA ALA A 59 7.406 -6.784 -12.097 1.00 0.00 C ATOM 926 C ALA A 59 6.695 -7.287 -13.409 1.00 0.00 C ATOM 927 O ALA A 59 6.624 -8.499 -13.625 1.00 0.00 O ATOM 928 CB ALA A 59 6.277 -6.351 -11.141 1.00 0.00 C ATOM 0 H ALA A 59 8.137 -4.809 -11.820 1.00 0.00 H new ATOM 0 HA ALA A 59 8.012 -7.608 -11.721 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.554 -7.161 -11.041 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.698 -6.118 -10.163 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.780 -5.468 -11.542 1.00 0.00 H new ATOM 934 N LEU A 60 6.176 -6.390 -14.273 1.00 0.00 N ATOM 935 CA LEU A 60 5.454 -6.761 -15.530 1.00 0.00 C ATOM 936 C LEU A 60 6.344 -7.281 -16.688 1.00 0.00 C ATOM 937 O LEU A 60 5.932 -8.213 -17.374 1.00 0.00 O ATOM 938 CB LEU A 60 4.733 -5.480 -16.033 1.00 0.00 C ATOM 939 CG LEU A 60 3.723 -5.595 -17.202 1.00 0.00 C ATOM 940 CD1 LEU A 60 2.727 -4.425 -17.126 1.00 0.00 C ATOM 941 CD2 LEU A 60 4.348 -5.618 -18.611 1.00 0.00 C ATOM 0 H LEU A 60 6.241 -5.383 -14.127 1.00 0.00 H new ATOM 0 HA LEU A 60 4.790 -7.586 -15.272 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.205 -5.045 -15.184 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.501 -4.766 -16.331 1.00 0.00 H new ATOM 0 HG LEU A 60 3.239 -6.563 -17.072 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.014 -4.501 -17.947 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.193 -4.463 -16.176 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.268 -3.481 -17.201 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.558 -5.701 -19.358 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.908 -4.698 -18.776 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.020 -6.472 -18.697 1.00 0.00 H new ATOM 953 N GLY A 61 7.499 -6.647 -16.962 1.00 0.00 N ATOM 954 CA GLY A 61 8.327 -6.909 -18.165 1.00 0.00 C ATOM 955 C GLY A 61 8.614 -8.374 -18.557 1.00 0.00 C ATOM 956 O GLY A 61 8.296 -8.766 -19.679 1.00 0.00 O ATOM 0 H GLY A 61 7.892 -5.930 -16.352 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.840 -6.428 -19.014 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.286 -6.410 -18.023 1.00 0.00 H new ATOM 960 N PHE A 62 9.223 -9.143 -17.636 1.00 0.00 N ATOM 961 CA PHE A 62 9.490 -10.609 -17.793 1.00 0.00 C ATOM 962 C PHE A 62 10.596 -10.870 -18.860 1.00 0.00 C ATOM 963 O PHE A 62 10.461 -10.438 -20.012 1.00 0.00 O ATOM 964 CB PHE A 62 8.275 -11.514 -18.164 1.00 0.00 C ATOM 965 CG PHE A 62 7.099 -11.377 -17.230 1.00 0.00 C ATOM 966 CD1 PHE A 62 7.250 -11.409 -15.831 1.00 0.00 C ATOM 967 CD2 PHE A 62 5.801 -11.268 -17.766 1.00 0.00 C ATOM 968 CE1 PHE A 62 6.133 -11.309 -14.992 1.00 0.00 C ATOM 969 CE2 PHE A 62 4.685 -11.166 -16.929 1.00 0.00 C ATOM 970 CZ PHE A 62 4.851 -11.181 -15.540 1.00 0.00 C ATOM 0 H PHE A 62 9.553 -8.771 -16.745 1.00 0.00 H new ATOM 0 HA PHE A 62 9.795 -10.893 -16.786 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.951 -11.273 -19.177 1.00 0.00 H new ATOM 0 HB3 PHE A 62 8.600 -12.555 -18.172 1.00 0.00 H new ATOM 0 HD1 PHE A 62 8.235 -11.512 -15.401 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.666 -11.263 -18.837 1.00 0.00 H new ATOM 0 HE1 PHE A 62 6.261 -11.331 -13.920 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.696 -11.076 -17.354 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.992 -11.094 -14.892 1.00 0.00 H new ATOM 980 N GLU A 63 11.632 -11.662 -18.535 1.00 0.00 N ATOM 981 CA GLU A 63 12.798 -11.795 -19.502 1.00 0.00 C ATOM 982 C GLU A 63 12.559 -12.354 -20.950 1.00 0.00 C ATOM 983 O GLU A 63 13.441 -12.009 -21.750 1.00 0.00 O ATOM 984 CB GLU A 63 13.926 -12.651 -18.880 1.00 0.00 C ATOM 985 CG GLU A 63 14.379 -12.137 -17.502 1.00 0.00 C ATOM 986 CD GLU A 63 15.552 -12.983 -17.012 1.00 0.00 C ATOM 987 OE1 GLU A 63 16.617 -12.963 -17.685 1.00 0.00 O ATOM 988 OE2 GLU A 63 15.396 -13.659 -15.961 1.00 0.00 O ATOM 0 H GLU A 63 11.712 -12.200 -17.672 1.00 0.00 H new ATOM 0 HA GLU A 63 13.041 -10.743 -19.651 1.00 0.00 H new ATOM 0 HB2 GLU A 63 13.582 -13.681 -18.783 1.00 0.00 H new ATOM 0 HB3 GLU A 63 14.781 -12.663 -19.556 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.674 -11.090 -17.570 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.554 -12.191 -16.791 1.00 0.00 H new ATOM 995 N PRO A 64 11.521 -13.090 -21.439 1.00 0.00 N ATOM 996 CA PRO A 64 11.334 -13.331 -22.902 1.00 0.00 C ATOM 997 C PRO A 64 11.593 -12.155 -23.934 1.00 0.00 C ATOM 998 O PRO A 64 12.069 -12.409 -25.044 1.00 0.00 O ATOM 999 CB PRO A 64 9.913 -13.886 -22.985 1.00 0.00 C ATOM 1000 CG PRO A 64 9.765 -14.672 -21.674 1.00 0.00 C ATOM 1001 CD PRO A 64 10.526 -13.815 -20.653 1.00 0.00 C ATOM 0 HA PRO A 64 12.127 -13.998 -23.240 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.173 -13.089 -23.062 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.782 -14.528 -23.856 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.718 -14.793 -21.395 1.00 0.00 H new ATOM 0 HG3 PRO A 64 10.191 -15.672 -21.755 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.856 -13.129 -20.135 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.999 -14.435 -19.891 1.00 0.00 H new ATOM 1009 N LYS A 65 11.210 -10.907 -23.591 1.00 0.00 N ATOM 1010 CA LYS A 65 11.290 -9.723 -24.490 1.00 0.00 C ATOM 1011 C LYS A 65 12.610 -8.903 -24.320 1.00 0.00 C ATOM 1012 O LYS A 65 13.213 -8.859 -23.244 1.00 0.00 O ATOM 1013 CB LYS A 65 10.027 -8.818 -24.459 1.00 0.00 C ATOM 1014 CG LYS A 65 9.323 -8.606 -23.103 1.00 0.00 C ATOM 1015 CD LYS A 65 9.656 -7.310 -22.341 1.00 0.00 C ATOM 1016 CE LYS A 65 10.976 -7.328 -21.559 1.00 0.00 C ATOM 1017 NZ LYS A 65 11.011 -6.256 -20.540 1.00 0.00 N ATOM 0 H LYS A 65 10.831 -10.684 -22.671 1.00 0.00 H new ATOM 0 HA LYS A 65 11.320 -10.150 -25.493 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.308 -7.839 -24.846 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.298 -9.238 -25.152 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.246 -8.633 -23.272 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.566 -9.451 -22.459 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.687 -6.487 -23.055 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.844 -7.098 -21.645 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.102 -8.297 -21.075 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.811 -7.205 -22.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.701 -6.501 -19.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.288 -5.359 -20.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.069 -6.153 -20.112 1.00 0.00 H new ATOM 1031 N LYS A 66 13.070 -8.255 -25.409 1.00 0.00 N ATOM 1032 CA LYS A 66 14.392 -7.562 -25.431 1.00 0.00 C ATOM 1033 C LYS A 66 14.372 -6.152 -24.754 1.00 0.00 C ATOM 1034 O LYS A 66 14.990 -6.005 -23.697 1.00 0.00 O ATOM 1035 CB LYS A 66 14.956 -7.432 -26.871 1.00 0.00 C ATOM 1036 CG LYS A 66 16.409 -6.922 -26.964 1.00 0.00 C ATOM 1037 CD LYS A 66 17.438 -7.821 -26.253 1.00 0.00 C ATOM 1038 CE LYS A 66 18.884 -7.337 -26.430 1.00 0.00 C ATOM 1039 NZ LYS A 66 19.835 -8.216 -25.708 1.00 0.00 N ATOM 0 H LYS A 66 12.554 -8.192 -26.287 1.00 0.00 H new ATOM 0 HA LYS A 66 15.049 -8.202 -24.841 1.00 0.00 H new ATOM 0 HB2 LYS A 66 14.898 -8.406 -27.356 1.00 0.00 H new ATOM 0 HB3 LYS A 66 14.314 -6.756 -27.436 1.00 0.00 H new ATOM 0 HG2 LYS A 66 16.685 -6.833 -28.015 1.00 0.00 H new ATOM 0 HG3 LYS A 66 16.459 -5.921 -26.535 1.00 0.00 H new ATOM 0 HD2 LYS A 66 17.202 -7.862 -25.190 1.00 0.00 H new ATOM 0 HD3 LYS A 66 17.351 -8.837 -26.638 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.136 -7.317 -27.490 1.00 0.00 H new ATOM 0 HE3 LYS A 66 18.976 -6.316 -26.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 20.804 -7.865 -25.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 19.607 -8.215 -24.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 19.762 -9.185 -26.078 1.00 0.00 H new ATOM 1053 N GLU A 67 13.736 -5.122 -25.352 1.00 0.00 N ATOM 1054 CA GLU A 67 13.775 -3.735 -24.808 1.00 0.00 C ATOM 1055 C GLU A 67 12.483 -2.930 -25.173 1.00 0.00 C ATOM 1056 O GLU A 67 12.177 -2.657 -26.341 1.00 0.00 O ATOM 1057 CB GLU A 67 15.046 -2.969 -25.265 1.00 0.00 C ATOM 1058 CG GLU A 67 15.377 -1.695 -24.460 1.00 0.00 C ATOM 1059 CD GLU A 67 14.624 -0.492 -25.012 1.00 0.00 C ATOM 1060 OE1 GLU A 67 14.932 -0.080 -26.163 1.00 0.00 O ATOM 1061 OE2 GLU A 67 13.727 0.035 -24.302 1.00 0.00 O ATOM 0 H GLU A 67 13.190 -5.217 -26.208 1.00 0.00 H new ATOM 0 HA GLU A 67 13.815 -3.829 -23.723 1.00 0.00 H new ATOM 0 HB2 GLU A 67 15.898 -3.646 -25.207 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.927 -2.695 -26.313 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.115 -1.844 -23.412 1.00 0.00 H new ATOM 0 HG3 GLU A 67 16.450 -1.506 -24.496 1.00 0.00 H new ATOM 1068 N GLU A 68 11.777 -2.512 -24.122 1.00 0.00 N ATOM 1069 CA GLU A 68 10.635 -1.557 -24.156 1.00 0.00 C ATOM 1070 C GLU A 68 10.767 -0.437 -23.061 1.00 0.00 C ATOM 1071 O GLU A 68 10.408 0.708 -23.350 1.00 0.00 O ATOM 1072 CB GLU A 68 9.240 -2.233 -24.026 1.00 0.00 C ATOM 1073 CG GLU A 68 9.219 -3.667 -23.459 1.00 0.00 C ATOM 1074 CD GLU A 68 9.712 -3.732 -22.020 1.00 0.00 C ATOM 1075 OE1 GLU A 68 10.953 -3.868 -21.822 1.00 0.00 O ATOM 1076 OE2 GLU A 68 8.870 -3.697 -21.088 1.00 0.00 O ATOM 0 H GLU A 68 11.983 -2.835 -23.177 1.00 0.00 H new ATOM 0 HA GLU A 68 10.692 -1.108 -25.148 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.615 -1.606 -23.390 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.776 -2.249 -25.012 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.203 -4.060 -23.510 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.841 -4.310 -24.082 1.00 0.00 H new ATOM 1083 N ILE A 69 11.259 -0.711 -21.828 1.00 0.00 N ATOM 1084 CA ILE A 69 11.295 0.306 -20.719 1.00 0.00 C ATOM 1085 C ILE A 69 12.286 1.509 -20.951 1.00 0.00 C ATOM 1086 O ILE A 69 11.999 2.599 -20.448 1.00 0.00 O ATOM 1087 CB ILE A 69 11.628 -0.357 -19.361 1.00 0.00 C ATOM 1088 CG1 ILE A 69 13.120 -0.400 -18.915 1.00 0.00 C ATOM 1089 CG2 ILE A 69 11.112 -1.808 -19.384 1.00 0.00 C ATOM 1090 CD1 ILE A 69 13.568 0.773 -18.030 1.00 0.00 C ATOM 0 H ILE A 69 11.638 -1.621 -21.565 1.00 0.00 H new ATOM 0 HA ILE A 69 10.288 0.724 -20.711 1.00 0.00 H new ATOM 0 HB ILE A 69 11.139 0.292 -18.634 1.00 0.00 H new ATOM 0 HG12 ILE A 69 13.295 -1.330 -18.375 1.00 0.00 H new ATOM 0 HG13 ILE A 69 13.749 -0.425 -19.805 1.00 0.00 H new ATOM 0 HG21 ILE A 69 11.339 -2.290 -18.433 1.00 0.00 H new ATOM 0 HG22 ILE A 69 10.034 -1.808 -19.543 1.00 0.00 H new ATOM 0 HG23 ILE A 69 11.598 -2.354 -20.193 1.00 0.00 H new ATOM 0 HD11 ILE A 69 14.620 0.653 -17.772 1.00 0.00 H new ATOM 0 HD12 ILE A 69 13.431 1.710 -18.571 1.00 0.00 H new ATOM 0 HD13 ILE A 69 12.971 0.790 -17.118 1.00 0.00 H new ATOM 1102 N LYS A 70 13.416 1.365 -21.673 1.00 0.00 N ATOM 1103 CA LYS A 70 14.251 2.537 -22.089 1.00 0.00 C ATOM 1104 C LYS A 70 13.494 3.451 -23.113 1.00 0.00 C ATOM 1105 O LYS A 70 13.501 4.677 -22.949 1.00 0.00 O ATOM 1106 CB LYS A 70 15.638 2.180 -22.676 1.00 0.00 C ATOM 1107 CG LYS A 70 16.564 3.406 -22.799 1.00 0.00 C ATOM 1108 CD LYS A 70 17.903 3.114 -23.493 1.00 0.00 C ATOM 1109 CE LYS A 70 18.825 4.343 -23.581 1.00 0.00 C ATOM 1110 NZ LYS A 70 18.187 5.463 -24.319 1.00 0.00 N ATOM 0 H LYS A 70 13.778 0.463 -21.983 1.00 0.00 H new ATOM 0 HA LYS A 70 14.430 3.069 -21.155 1.00 0.00 H new ATOM 0 HB2 LYS A 70 16.115 1.432 -22.043 1.00 0.00 H new ATOM 0 HB3 LYS A 70 15.507 1.729 -23.659 1.00 0.00 H new ATOM 0 HG2 LYS A 70 16.043 4.187 -23.353 1.00 0.00 H new ATOM 0 HG3 LYS A 70 16.762 3.800 -21.802 1.00 0.00 H new ATOM 0 HD2 LYS A 70 18.418 2.320 -22.953 1.00 0.00 H new ATOM 0 HD3 LYS A 70 17.709 2.741 -24.499 1.00 0.00 H new ATOM 0 HE2 LYS A 70 19.087 4.673 -22.576 1.00 0.00 H new ATOM 0 HE3 LYS A 70 19.755 4.064 -24.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 18.885 6.219 -24.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.838 5.120 -25.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 17.391 5.836 -23.763 1.00 0.00 H new ATOM 1124 N LYS A 71 12.827 2.847 -24.119 1.00 0.00 N ATOM 1125 CA LYS A 71 11.884 3.557 -25.030 1.00 0.00 C ATOM 1126 C LYS A 71 10.708 4.247 -24.261 1.00 0.00 C ATOM 1127 O LYS A 71 10.443 5.416 -24.524 1.00 0.00 O ATOM 1128 CB LYS A 71 11.210 2.630 -26.072 1.00 0.00 C ATOM 1129 CG LYS A 71 12.196 1.874 -26.973 1.00 0.00 C ATOM 1130 CD LYS A 71 11.483 0.944 -27.970 1.00 0.00 C ATOM 1131 CE LYS A 71 12.431 0.162 -28.891 1.00 0.00 C ATOM 1132 NZ LYS A 71 13.257 -0.811 -28.143 1.00 0.00 N ATOM 0 H LYS A 71 12.922 1.853 -24.328 1.00 0.00 H new ATOM 0 HA LYS A 71 12.523 4.288 -25.525 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.586 1.906 -25.548 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.548 3.227 -26.698 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.806 2.591 -27.522 1.00 0.00 H new ATOM 0 HG3 LYS A 71 12.874 1.287 -26.353 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.869 0.236 -27.414 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.807 1.538 -28.584 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.849 -0.364 -29.648 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.082 0.860 -29.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.729 -1.452 -28.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.974 -0.303 -27.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.650 -1.363 -27.504 1.00 0.00 H new ATOM 1146 N MET A 72 10.028 3.562 -23.315 1.00 0.00 N ATOM 1147 CA MET A 72 8.885 4.139 -22.552 1.00 0.00 C ATOM 1148 C MET A 72 9.259 5.396 -21.686 1.00 0.00 C ATOM 1149 O MET A 72 8.623 6.442 -21.844 1.00 0.00 O ATOM 1150 CB MET A 72 8.256 3.086 -21.611 1.00 0.00 C ATOM 1151 CG MET A 72 6.787 3.389 -21.276 1.00 0.00 C ATOM 1152 SD MET A 72 5.683 3.306 -22.719 1.00 0.00 S ATOM 1153 CE MET A 72 5.762 1.516 -23.040 1.00 0.00 C ATOM 0 H MET A 72 10.249 2.601 -23.056 1.00 0.00 H new ATOM 0 HA MET A 72 8.178 4.456 -23.318 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.322 2.103 -22.077 1.00 0.00 H new ATOM 0 HB3 MET A 72 8.833 3.040 -20.687 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.441 2.682 -20.522 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.721 4.383 -20.834 1.00 0.00 H new ATOM 0 HE1 MET A 72 4.932 1.225 -23.684 1.00 0.00 H new ATOM 0 HE2 MET A 72 6.704 1.276 -23.532 1.00 0.00 H new ATOM 0 HE3 MET A 72 5.697 0.974 -22.097 1.00 0.00 H new ATOM 1163 N ILE A 73 10.310 5.338 -20.830 1.00 0.00 N ATOM 1164 CA ILE A 73 10.789 6.526 -20.043 1.00 0.00 C ATOM 1165 C ILE A 73 11.339 7.682 -20.960 1.00 0.00 C ATOM 1166 O ILE A 73 10.961 8.836 -20.770 1.00 0.00 O ATOM 1167 CB ILE A 73 11.805 6.139 -18.973 1.00 0.00 C ATOM 1168 CG1 ILE A 73 11.280 4.976 -18.083 1.00 0.00 C ATOM 1169 CG2 ILE A 73 12.182 7.374 -18.119 1.00 0.00 C ATOM 1170 CD1 ILE A 73 9.978 5.262 -17.321 1.00 0.00 C ATOM 0 H ILE A 73 10.848 4.488 -20.660 1.00 0.00 H new ATOM 0 HA ILE A 73 9.909 6.917 -19.532 1.00 0.00 H new ATOM 0 HB ILE A 73 12.704 5.779 -19.473 1.00 0.00 H new ATOM 0 HG12 ILE A 73 11.127 4.100 -18.713 1.00 0.00 H new ATOM 0 HG13 ILE A 73 12.054 4.717 -17.360 1.00 0.00 H new ATOM 0 HG21 ILE A 73 12.908 7.083 -17.359 1.00 0.00 H new ATOM 0 HG22 ILE A 73 12.616 8.141 -18.760 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.288 7.768 -17.635 1.00 0.00 H new ATOM 0 HD11 ILE A 73 9.701 4.387 -16.733 1.00 0.00 H new ATOM 0 HD12 ILE A 73 10.124 6.114 -16.657 1.00 0.00 H new ATOM 0 HD13 ILE A 73 9.183 5.488 -18.031 1.00 0.00 H new ATOM 1182 N SER A 74 12.167 7.372 -21.977 1.00 0.00 N ATOM 1183 CA SER A 74 12.642 8.364 -22.995 1.00 0.00 C ATOM 1184 C SER A 74 11.549 9.061 -23.885 1.00 0.00 C ATOM 1185 O SER A 74 11.739 10.197 -24.328 1.00 0.00 O ATOM 1186 CB SER A 74 13.654 7.745 -23.991 1.00 0.00 C ATOM 1187 OG SER A 74 14.713 7.079 -23.307 1.00 0.00 O ATOM 0 H SER A 74 12.532 6.431 -22.127 1.00 0.00 H new ATOM 0 HA SER A 74 13.081 9.121 -22.346 1.00 0.00 H new ATOM 0 HB2 SER A 74 13.140 7.040 -24.644 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.065 8.528 -24.628 1.00 0.00 H new ATOM 0 HG SER A 74 14.463 6.145 -23.147 1.00 0.00 H new ATOM 1193 N GLU A 75 10.472 8.344 -24.256 1.00 0.00 N ATOM 1194 CA GLU A 75 9.349 8.855 -25.079 1.00 0.00 C ATOM 1195 C GLU A 75 8.318 9.689 -24.256 1.00 0.00 C ATOM 1196 O GLU A 75 7.755 10.659 -24.773 1.00 0.00 O ATOM 1197 CB GLU A 75 8.622 7.631 -25.689 1.00 0.00 C ATOM 1198 CG GLU A 75 7.498 7.897 -26.701 1.00 0.00 C ATOM 1199 CD GLU A 75 7.065 6.544 -27.262 1.00 0.00 C ATOM 1200 OE1 GLU A 75 6.567 5.694 -26.474 1.00 0.00 O ATOM 1201 OE2 GLU A 75 7.261 6.306 -28.483 1.00 0.00 O ATOM 0 H GLU A 75 10.351 7.368 -23.987 1.00 0.00 H new ATOM 0 HA GLU A 75 9.761 9.518 -25.840 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.370 7.006 -26.176 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.203 7.047 -24.869 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.659 8.400 -26.221 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.847 8.551 -27.500 1.00 0.00 H new ATOM 1208 N ILE A 76 8.008 9.236 -23.027 1.00 0.00 N ATOM 1209 CA ILE A 76 7.066 9.885 -22.095 1.00 0.00 C ATOM 1210 C ILE A 76 7.604 11.107 -21.251 1.00 0.00 C ATOM 1211 O ILE A 76 6.787 11.841 -20.685 1.00 0.00 O ATOM 1212 CB ILE A 76 6.285 8.955 -21.170 1.00 0.00 C ATOM 1213 CG1 ILE A 76 7.113 8.466 -19.952 1.00 0.00 C ATOM 1214 CG2 ILE A 76 5.652 7.840 -22.035 1.00 0.00 C ATOM 1215 CD1 ILE A 76 6.403 7.406 -19.109 1.00 0.00 C ATOM 0 H ILE A 76 8.417 8.384 -22.644 1.00 0.00 H new ATOM 0 HA ILE A 76 6.381 10.289 -22.840 1.00 0.00 H new ATOM 0 HB ILE A 76 5.474 9.499 -20.685 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.060 8.060 -20.308 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.351 9.321 -19.319 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.087 7.161 -21.397 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.983 8.286 -22.771 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.439 7.286 -22.548 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.044 7.114 -18.277 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.469 7.814 -18.722 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.190 6.533 -19.726 1.00 0.00 H new ATOM 1227 N ASP A 77 8.916 11.273 -21.089 1.00 0.00 N ATOM 1228 CA ASP A 77 9.526 12.283 -20.169 1.00 0.00 C ATOM 1229 C ASP A 77 10.164 13.444 -21.004 1.00 0.00 C ATOM 1230 O ASP A 77 11.290 13.333 -21.500 1.00 0.00 O ATOM 1231 CB ASP A 77 10.596 11.594 -19.282 1.00 0.00 C ATOM 1232 CG ASP A 77 10.846 12.357 -17.991 1.00 0.00 C ATOM 1233 OD1 ASP A 77 11.498 13.431 -18.038 1.00 0.00 O ATOM 1234 OD2 ASP A 77 10.348 11.883 -16.933 1.00 0.00 O ATOM 0 H ASP A 77 9.608 10.714 -21.589 1.00 0.00 H new ATOM 0 HA ASP A 77 8.755 12.705 -19.525 1.00 0.00 H new ATOM 0 HB2 ASP A 77 10.273 10.580 -19.047 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.529 11.510 -19.839 1.00 0.00 H new ATOM 1239 N LYS A 78 9.404 14.540 -21.222 1.00 0.00 N ATOM 1240 CA LYS A 78 9.798 15.624 -22.178 1.00 0.00 C ATOM 1241 C LYS A 78 9.461 17.073 -21.713 1.00 0.00 C ATOM 1242 O LYS A 78 10.347 17.931 -21.733 1.00 0.00 O ATOM 1243 CB LYS A 78 9.100 15.441 -23.548 1.00 0.00 C ATOM 1244 CG LYS A 78 9.661 14.265 -24.363 1.00 0.00 C ATOM 1245 CD LYS A 78 8.781 13.881 -25.558 1.00 0.00 C ATOM 1246 CE LYS A 78 9.430 12.799 -26.432 1.00 0.00 C ATOM 1247 NZ LYS A 78 8.413 12.091 -27.243 1.00 0.00 N ATOM 0 H LYS A 78 8.513 14.707 -20.754 1.00 0.00 H new ATOM 0 HA LYS A 78 10.882 15.522 -22.238 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.033 15.286 -23.387 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.205 16.358 -24.127 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.657 14.523 -24.722 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.772 13.400 -23.710 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.817 13.524 -25.197 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.587 14.766 -26.163 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.172 13.254 -27.089 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.958 12.085 -25.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.881 11.580 -28.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.900 11.414 -26.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.742 12.781 -27.638 1.00 0.00 H new ATOM 1261 N GLU A 79 8.199 17.366 -21.356 1.00 0.00 N ATOM 1262 CA GLU A 79 7.723 18.762 -21.108 1.00 0.00 C ATOM 1263 C GLU A 79 7.856 19.147 -19.600 1.00 0.00 C ATOM 1264 O GLU A 79 8.509 20.136 -19.256 1.00 0.00 O ATOM 1265 CB GLU A 79 6.240 18.942 -21.519 1.00 0.00 C ATOM 1266 CG GLU A 79 5.908 18.423 -22.934 1.00 0.00 C ATOM 1267 CD GLU A 79 6.777 19.116 -23.981 1.00 0.00 C ATOM 1268 OE1 GLU A 79 6.705 20.371 -24.073 1.00 0.00 O ATOM 1269 OE2 GLU A 79 7.522 18.398 -24.700 1.00 0.00 O ATOM 0 H GLU A 79 7.476 16.658 -21.229 1.00 0.00 H new ATOM 0 HA GLU A 79 8.353 19.411 -21.716 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.609 18.424 -20.797 1.00 0.00 H new ATOM 0 HB3 GLU A 79 5.985 20.000 -21.463 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.067 17.346 -22.978 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.855 18.599 -23.154 1.00 0.00 H new ATOM 1276 N GLY A 80 7.242 18.346 -18.708 1.00 0.00 N ATOM 1277 CA GLY A 80 7.451 18.446 -17.245 1.00 0.00 C ATOM 1278 C GLY A 80 7.660 17.103 -16.499 1.00 0.00 C ATOM 1279 O GLY A 80 7.194 16.962 -15.367 1.00 0.00 O ATOM 0 H GLY A 80 6.588 17.612 -18.978 1.00 0.00 H new ATOM 0 HA2 GLY A 80 8.319 19.079 -17.064 1.00 0.00 H new ATOM 0 HA3 GLY A 80 6.590 18.952 -16.808 1.00 0.00 H new ATOM 1283 N THR A 81 8.350 16.135 -17.131 1.00 0.00 N ATOM 1284 CA THR A 81 8.575 14.740 -16.635 1.00 0.00 C ATOM 1285 C THR A 81 7.288 13.867 -16.802 1.00 0.00 C ATOM 1286 O THR A 81 6.148 14.348 -16.816 1.00 0.00 O ATOM 1287 CB THR A 81 9.259 14.560 -15.275 1.00 0.00 C ATOM 1288 OG1 THR A 81 8.427 14.924 -14.178 1.00 0.00 O ATOM 1289 CG2 THR A 81 10.565 15.380 -15.233 1.00 0.00 C ATOM 0 H THR A 81 8.788 16.297 -18.038 1.00 0.00 H new ATOM 0 HA THR A 81 9.353 14.362 -17.298 1.00 0.00 H new ATOM 0 HB THR A 81 9.475 13.497 -15.170 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.093 15.836 -14.310 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.046 15.248 -14.264 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.235 15.037 -16.021 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.337 16.435 -15.384 1.00 0.00 H new ATOM 1297 N GLY A 82 7.505 12.557 -16.981 1.00 0.00 N ATOM 1298 CA GLY A 82 6.452 11.599 -17.372 1.00 0.00 C ATOM 1299 C GLY A 82 5.400 11.215 -16.312 1.00 0.00 C ATOM 1300 O GLY A 82 5.668 10.669 -15.241 1.00 0.00 O ATOM 0 H GLY A 82 8.421 12.125 -16.859 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.925 12.013 -18.232 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.940 10.684 -17.707 1.00 0.00 H new ATOM 1304 N LYS A 83 4.173 11.483 -16.732 1.00 0.00 N ATOM 1305 CA LYS A 83 2.929 11.032 -16.046 1.00 0.00 C ATOM 1306 C LYS A 83 2.071 10.235 -17.073 1.00 0.00 C ATOM 1307 O LYS A 83 1.821 10.680 -18.199 1.00 0.00 O ATOM 1308 CB LYS A 83 2.045 12.095 -15.339 1.00 0.00 C ATOM 1309 CG LYS A 83 1.667 13.365 -16.127 1.00 0.00 C ATOM 1310 CD LYS A 83 2.775 14.427 -16.270 1.00 0.00 C ATOM 1311 CE LYS A 83 3.367 14.899 -14.930 1.00 0.00 C ATOM 1312 NZ LYS A 83 4.452 15.879 -15.149 1.00 0.00 N ATOM 0 H LYS A 83 3.989 12.029 -17.574 1.00 0.00 H new ATOM 0 HA LYS A 83 3.289 10.433 -15.209 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.121 11.607 -15.029 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.561 12.407 -14.431 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.346 13.067 -17.125 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.808 13.828 -15.641 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.577 14.020 -16.886 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.371 15.289 -16.801 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.583 15.348 -14.320 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.751 14.043 -14.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.881 16.132 -14.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.176 15.463 -15.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.063 16.733 -15.597 1.00 0.00 H new ATOM 1326 N MET A 84 1.670 9.025 -16.666 1.00 0.00 N ATOM 1327 CA MET A 84 0.944 8.067 -17.532 1.00 0.00 C ATOM 1328 C MET A 84 -0.501 7.843 -17.022 1.00 0.00 C ATOM 1329 O MET A 84 -0.676 7.405 -15.883 1.00 0.00 O ATOM 1330 CB MET A 84 1.701 6.721 -17.606 1.00 0.00 C ATOM 1331 CG MET A 84 1.123 5.717 -18.612 1.00 0.00 C ATOM 1332 SD MET A 84 2.228 4.326 -18.971 1.00 0.00 S ATOM 1333 CE MET A 84 3.251 5.194 -20.192 1.00 0.00 C ATOM 0 H MET A 84 1.837 8.674 -15.723 1.00 0.00 H new ATOM 0 HA MET A 84 0.890 8.493 -18.534 1.00 0.00 H new ATOM 0 HB2 MET A 84 2.741 6.918 -17.866 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.701 6.264 -16.616 1.00 0.00 H new ATOM 0 HG2 MET A 84 0.180 5.330 -18.225 1.00 0.00 H new ATOM 0 HG3 MET A 84 0.896 6.238 -19.542 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.916 4.482 -20.681 1.00 0.00 H new ATOM 0 HE2 MET A 84 2.609 5.662 -20.938 1.00 0.00 H new ATOM 0 HE3 MET A 84 3.843 5.960 -19.692 1.00 0.00 H new ATOM 1343 N ASN A 85 -1.511 7.997 -17.891 1.00 0.00 N ATOM 1344 CA ASN A 85 -2.901 7.585 -17.555 1.00 0.00 C ATOM 1345 C ASN A 85 -3.186 6.181 -18.193 1.00 0.00 C ATOM 1346 O ASN A 85 -2.386 5.630 -18.959 1.00 0.00 O ATOM 1347 CB ASN A 85 -4.020 8.629 -17.893 1.00 0.00 C ATOM 1348 CG ASN A 85 -4.729 8.484 -19.257 1.00 0.00 C ATOM 1349 OD1 ASN A 85 -5.841 7.944 -19.311 1.00 0.00 O ATOM 1350 ND2 ASN A 85 -4.086 8.960 -20.358 1.00 0.00 N ATOM 0 H ASN A 85 -1.404 8.398 -18.823 1.00 0.00 H new ATOM 0 HA ASN A 85 -2.950 7.524 -16.468 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -4.778 8.578 -17.111 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -3.579 9.625 -17.845 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -4.521 8.879 -21.277 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -3.170 9.398 -20.264 1.00 0.00 H new ATOM 1357 N PHE A 86 -4.324 5.552 -17.846 1.00 0.00 N ATOM 1358 CA PHE A 86 -4.626 4.179 -18.368 1.00 0.00 C ATOM 1359 C PHE A 86 -4.874 4.133 -19.915 1.00 0.00 C ATOM 1360 O PHE A 86 -4.468 3.150 -20.540 1.00 0.00 O ATOM 1361 CB PHE A 86 -5.897 3.625 -17.660 1.00 0.00 C ATOM 1362 CG PHE A 86 -6.141 2.156 -17.921 1.00 0.00 C ATOM 1363 CD1 PHE A 86 -5.532 1.185 -17.110 1.00 0.00 C ATOM 1364 CD2 PHE A 86 -6.989 1.733 -18.961 1.00 0.00 C ATOM 1365 CE1 PHE A 86 -5.763 -0.178 -17.327 1.00 0.00 C ATOM 1366 CE2 PHE A 86 -7.214 0.370 -19.190 1.00 0.00 C ATOM 1367 CZ PHE A 86 -6.602 -0.587 -18.370 1.00 0.00 C ATOM 0 H PHE A 86 -5.036 5.944 -17.229 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.744 3.574 -18.158 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.803 3.784 -16.586 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.765 4.194 -17.992 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.877 1.494 -16.309 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.471 2.467 -19.589 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -5.294 -0.914 -16.690 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.859 0.057 -19.998 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.777 -1.639 -18.542 1.00 0.00 H new ATOM 1377 N GLY A 87 -5.485 5.164 -20.538 1.00 0.00 N ATOM 1378 CA GLY A 87 -5.537 5.273 -22.024 1.00 0.00 C ATOM 1379 C GLY A 87 -4.131 5.324 -22.706 1.00 0.00 C ATOM 1380 O GLY A 87 -3.913 4.616 -23.694 1.00 0.00 O ATOM 0 H GLY A 87 -5.947 5.929 -20.046 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.092 4.423 -22.421 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.093 6.171 -22.293 1.00 0.00 H new ATOM 1384 N ASP A 88 -3.171 6.096 -22.137 1.00 0.00 N ATOM 1385 CA ASP A 88 -1.735 6.068 -22.542 1.00 0.00 C ATOM 1386 C ASP A 88 -1.108 4.639 -22.369 1.00 0.00 C ATOM 1387 O ASP A 88 -0.612 4.078 -23.347 1.00 0.00 O ATOM 1388 CB ASP A 88 -0.804 6.985 -21.703 1.00 0.00 C ATOM 1389 CG ASP A 88 -1.228 8.449 -21.709 1.00 0.00 C ATOM 1390 OD1 ASP A 88 -1.465 9.005 -22.811 1.00 0.00 O ATOM 1391 OD2 ASP A 88 -1.325 9.025 -20.589 1.00 0.00 O ATOM 0 H ASP A 88 -3.366 6.756 -21.385 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.776 6.406 -23.577 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.783 6.625 -20.674 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.213 6.908 -22.088 1.00 0.00 H new ATOM 1396 N PHE A 89 -1.189 4.042 -21.152 1.00 0.00 N ATOM 1397 CA PHE A 89 -0.695 2.664 -20.861 1.00 0.00 C ATOM 1398 C PHE A 89 -1.240 1.537 -21.789 1.00 0.00 C ATOM 1399 O PHE A 89 -0.457 0.748 -22.320 1.00 0.00 O ATOM 1400 CB PHE A 89 -0.977 2.282 -19.381 1.00 0.00 C ATOM 1401 CG PHE A 89 -0.130 1.149 -18.834 1.00 0.00 C ATOM 1402 CD1 PHE A 89 1.235 0.985 -19.153 1.00 0.00 C ATOM 1403 CD2 PHE A 89 -0.698 0.286 -17.883 1.00 0.00 C ATOM 1404 CE1 PHE A 89 2.006 0.009 -18.511 1.00 0.00 C ATOM 1405 CE2 PHE A 89 0.068 -0.697 -17.248 1.00 0.00 C ATOM 1406 CZ PHE A 89 1.424 -0.832 -17.560 1.00 0.00 C ATOM 0 H PHE A 89 -1.600 4.502 -20.340 1.00 0.00 H new ATOM 0 HA PHE A 89 0.375 2.721 -21.062 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.822 3.164 -18.759 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.028 2.007 -19.287 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.689 1.619 -19.900 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.745 0.383 -17.637 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.054 -0.094 -18.752 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.387 -1.350 -16.518 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.020 -1.585 -17.067 1.00 0.00 H new ATOM 1416 N LEU A 90 -2.567 1.481 -21.988 1.00 0.00 N ATOM 1417 CA LEU A 90 -3.220 0.498 -22.888 1.00 0.00 C ATOM 1418 C LEU A 90 -2.812 0.638 -24.395 1.00 0.00 C ATOM 1419 O LEU A 90 -2.335 -0.340 -24.981 1.00 0.00 O ATOM 1420 CB LEU A 90 -4.761 0.617 -22.780 1.00 0.00 C ATOM 1421 CG LEU A 90 -5.541 -0.650 -23.191 1.00 0.00 C ATOM 1422 CD1 LEU A 90 -5.332 -1.789 -22.175 1.00 0.00 C ATOM 1423 CD2 LEU A 90 -7.042 -0.338 -23.365 1.00 0.00 C ATOM 0 H LEU A 90 -3.224 2.114 -21.532 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.873 -0.479 -22.552 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.020 0.868 -21.751 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.091 1.448 -23.404 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.149 -0.985 -24.151 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.894 -2.667 -22.492 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.272 -2.037 -22.119 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.682 -1.470 -21.193 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.571 -1.246 -23.655 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -7.448 0.034 -22.424 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.169 0.419 -24.139 1.00 0.00 H new ATOM 1435 N THR A 91 -2.916 1.844 -24.995 1.00 0.00 N ATOM 1436 CA THR A 91 -2.447 2.099 -26.395 1.00 0.00 C ATOM 1437 C THR A 91 -0.909 1.881 -26.595 1.00 0.00 C ATOM 1438 O THR A 91 -0.517 1.110 -27.479 1.00 0.00 O ATOM 1439 CB THR A 91 -2.868 3.451 -26.959 1.00 0.00 C ATOM 1440 OG1 THR A 91 -2.370 4.542 -26.193 1.00 0.00 O ATOM 1441 CG2 THR A 91 -4.410 3.513 -26.985 1.00 0.00 C ATOM 0 H THR A 91 -3.319 2.663 -24.540 1.00 0.00 H new ATOM 0 HA THR A 91 -2.967 1.335 -26.973 1.00 0.00 H new ATOM 0 HB THR A 91 -2.449 3.541 -27.961 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.874 4.610 -25.355 1.00 0.00 H new ATOM 0 HG21 THR A 91 -4.729 4.475 -27.386 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.796 2.711 -27.615 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.796 3.396 -25.972 1.00 0.00 H new ATOM 1449 N VAL A 92 -0.040 2.518 -25.779 1.00 0.00 N ATOM 1450 CA VAL A 92 1.443 2.397 -25.928 1.00 0.00 C ATOM 1451 C VAL A 92 2.012 0.972 -25.610 1.00 0.00 C ATOM 1452 O VAL A 92 2.791 0.467 -26.418 1.00 0.00 O ATOM 1453 CB VAL A 92 2.192 3.502 -25.177 1.00 0.00 C ATOM 1454 CG1 VAL A 92 2.326 3.223 -23.664 1.00 0.00 C ATOM 1455 CG2 VAL A 92 3.564 3.739 -25.839 1.00 0.00 C ATOM 0 H VAL A 92 -0.331 3.122 -25.010 1.00 0.00 H new ATOM 0 HA VAL A 92 1.630 2.541 -26.992 1.00 0.00 H new ATOM 0 HB VAL A 92 1.598 4.413 -25.250 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.866 4.042 -23.189 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.334 3.137 -23.221 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.873 2.292 -23.513 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.095 4.526 -25.303 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.148 2.819 -25.806 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.420 4.040 -26.877 1.00 0.00 H new ATOM 1465 N MET A 93 1.635 0.311 -24.494 1.00 0.00 N ATOM 1466 CA MET A 93 2.079 -1.089 -24.203 1.00 0.00 C ATOM 1467 C MET A 93 1.540 -2.163 -25.209 1.00 0.00 C ATOM 1468 O MET A 93 2.350 -3.004 -25.601 1.00 0.00 O ATOM 1469 CB MET A 93 1.744 -1.537 -22.764 1.00 0.00 C ATOM 1470 CG MET A 93 2.351 -2.901 -22.385 1.00 0.00 C ATOM 1471 SD MET A 93 2.393 -3.219 -20.598 1.00 0.00 S ATOM 1472 CE MET A 93 3.954 -2.343 -20.301 1.00 0.00 C ATOM 0 H MET A 93 1.029 0.712 -23.778 1.00 0.00 H new ATOM 0 HA MET A 93 3.161 -1.038 -24.324 1.00 0.00 H new ATOM 0 HB2 MET A 93 2.103 -0.782 -22.065 1.00 0.00 H new ATOM 0 HB3 MET A 93 0.661 -1.587 -22.651 1.00 0.00 H new ATOM 0 HG2 MET A 93 1.777 -3.690 -22.871 1.00 0.00 H new ATOM 0 HG3 MET A 93 3.366 -2.957 -22.778 1.00 0.00 H new ATOM 0 HE1 MET A 93 4.214 -2.411 -19.245 1.00 0.00 H new ATOM 0 HE2 MET A 93 4.745 -2.795 -20.900 1.00 0.00 H new ATOM 0 HE3 MET A 93 3.842 -1.295 -20.580 1.00 0.00 H new ATOM 1482 N THR A 94 0.263 -2.145 -25.675 1.00 0.00 N ATOM 1483 CA THR A 94 -0.173 -3.041 -26.802 1.00 0.00 C ATOM 1484 C THR A 94 0.666 -2.787 -28.112 1.00 0.00 C ATOM 1485 O THR A 94 1.302 -3.730 -28.588 1.00 0.00 O ATOM 1486 CB THR A 94 -1.663 -3.117 -27.095 1.00 0.00 C ATOM 1487 OG1 THR A 94 -2.212 -1.894 -27.570 1.00 0.00 O ATOM 1488 CG2 THR A 94 -2.410 -3.568 -25.822 1.00 0.00 C ATOM 0 H THR A 94 -0.471 -1.541 -25.306 1.00 0.00 H new ATOM 0 HA THR A 94 0.049 -4.036 -26.415 1.00 0.00 H new ATOM 0 HB THR A 94 -1.792 -3.843 -27.898 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.316 -1.270 -26.822 1.00 0.00 H new ATOM 0 HG21 THR A 94 -3.479 -3.624 -26.028 1.00 0.00 H new ATOM 0 HG22 THR A 94 -2.048 -4.549 -25.516 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.232 -2.850 -25.022 1.00 0.00 H new ATOM 1496 N GLN A 95 0.753 -1.538 -28.641 1.00 0.00 N ATOM 1497 CA GLN A 95 1.625 -1.212 -29.809 1.00 0.00 C ATOM 1498 C GLN A 95 3.165 -1.501 -29.649 1.00 0.00 C ATOM 1499 O GLN A 95 3.795 -1.921 -30.623 1.00 0.00 O ATOM 1500 CB GLN A 95 1.480 0.294 -30.148 1.00 0.00 C ATOM 1501 CG GLN A 95 2.072 0.711 -31.507 1.00 0.00 C ATOM 1502 CD GLN A 95 1.866 2.216 -31.719 1.00 0.00 C ATOM 1503 OE1 GLN A 95 1.503 2.951 -30.794 1.00 0.00 O ATOM 1504 NE2 GLN A 95 2.119 2.680 -32.979 1.00 0.00 N ATOM 0 H GLN A 95 0.232 -0.739 -28.280 1.00 0.00 H new ATOM 0 HA GLN A 95 1.271 -1.883 -30.592 1.00 0.00 H new ATOM 0 HB2 GLN A 95 0.422 0.555 -30.133 1.00 0.00 H new ATOM 0 HB3 GLN A 95 1.963 0.877 -29.363 1.00 0.00 H new ATOM 0 HG2 GLN A 95 3.135 0.471 -31.541 1.00 0.00 H new ATOM 0 HG3 GLN A 95 1.593 0.152 -32.311 1.00 0.00 H new ATOM 0 HE21 GLN A 95 2.417 2.034 -33.710 1.00 0.00 H new ATOM 0 HE22 GLN A 95 2.010 3.672 -33.188 1.00 0.00 H new ATOM 1513 N LYS A 96 3.779 -1.277 -28.467 1.00 0.00 N ATOM 1514 CA LYS A 96 5.198 -1.663 -28.210 1.00 0.00 C ATOM 1515 C LYS A 96 5.449 -3.207 -28.046 1.00 0.00 C ATOM 1516 O LYS A 96 6.411 -3.700 -28.640 1.00 0.00 O ATOM 1517 CB LYS A 96 5.767 -0.952 -26.946 1.00 0.00 C ATOM 1518 CG LYS A 96 7.206 -0.423 -27.106 1.00 0.00 C ATOM 1519 CD LYS A 96 7.307 0.899 -27.899 1.00 0.00 C ATOM 1520 CE LYS A 96 6.880 2.137 -27.086 1.00 0.00 C ATOM 1521 NZ LYS A 96 6.846 3.368 -27.910 1.00 0.00 N ATOM 0 H LYS A 96 3.321 -0.832 -27.672 1.00 0.00 H new ATOM 0 HA LYS A 96 5.715 -1.339 -29.113 1.00 0.00 H new ATOM 0 HB2 LYS A 96 5.113 -0.119 -26.688 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.740 -1.650 -26.109 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.639 -0.275 -26.117 1.00 0.00 H new ATOM 0 HG3 LYS A 96 7.807 -1.182 -27.607 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.334 1.033 -28.237 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.684 0.827 -28.791 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.894 1.963 -26.656 1.00 0.00 H new ATOM 0 HE3 LYS A 96 7.570 2.278 -26.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 6.505 4.163 -27.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 7.803 3.579 -28.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.206 3.227 -28.718 1.00 0.00 H new ATOM 1535 N MET A 97 4.662 -3.953 -27.239 1.00 0.00 N ATOM 1536 CA MET A 97 4.855 -5.426 -27.059 1.00 0.00 C ATOM 1537 C MET A 97 4.271 -6.343 -28.191 1.00 0.00 C ATOM 1538 O MET A 97 5.041 -7.113 -28.770 1.00 0.00 O ATOM 1539 CB MET A 97 4.289 -5.919 -25.708 1.00 0.00 C ATOM 1540 CG MET A 97 5.037 -5.324 -24.501 1.00 0.00 C ATOM 1541 SD MET A 97 4.512 -6.019 -22.902 1.00 0.00 S ATOM 1542 CE MET A 97 5.975 -5.465 -21.978 1.00 0.00 C ATOM 0 H MET A 97 3.887 -3.569 -26.699 1.00 0.00 H new ATOM 0 HA MET A 97 5.940 -5.527 -27.100 1.00 0.00 H new ATOM 0 HB2 MET A 97 3.233 -5.656 -25.643 1.00 0.00 H new ATOM 0 HB3 MET A 97 4.349 -7.007 -25.668 1.00 0.00 H new ATOM 0 HG2 MET A 97 6.106 -5.493 -24.628 1.00 0.00 H new ATOM 0 HG3 MET A 97 4.885 -4.245 -24.486 1.00 0.00 H new ATOM 0 HE1 MET A 97 5.906 -5.810 -20.946 1.00 0.00 H new ATOM 0 HE2 MET A 97 6.873 -5.876 -22.438 1.00 0.00 H new ATOM 0 HE3 MET A 97 6.025 -4.376 -21.994 1.00 0.00 H new ATOM 1552 N SER A 98 2.950 -6.331 -28.461 1.00 0.00 N ATOM 1553 CA SER A 98 2.326 -7.136 -29.547 1.00 0.00 C ATOM 1554 C SER A 98 2.459 -6.503 -30.959 1.00 0.00 C ATOM 1555 O SER A 98 1.827 -5.436 -31.176 1.00 0.00 O ATOM 1556 CB SER A 98 0.837 -7.467 -29.273 1.00 0.00 C ATOM 1557 OG SER A 98 0.111 -6.305 -28.896 1.00 0.00 O ATOM 1558 OXT SER A 98 3.158 -7.098 -31.820 1.00 0.00 O ATOM 0 H SER A 98 2.281 -5.766 -27.937 1.00 0.00 H new ATOM 0 HA SER A 98 2.901 -8.062 -29.543 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.389 -7.905 -30.165 1.00 0.00 H new ATOM 0 HB3 SER A 98 0.768 -8.214 -28.482 1.00 0.00 H new ATOM 0 HG SER A 98 0.680 -5.514 -29.005 1.00 0.00 H new