USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 653 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 101 ASN :FLIP amide:sc= -0.403 F(o=-3.1,f=-1.1) USER MOD Set 1.2: A 108 HIS : no HD1:sc= -0.718 K(o=-1.1,f=-2!) USER MOD Set 2.1: A 72 CYS SG : rot 160:sc= 0.0889 USER MOD Set 2.2: A 93 THR OG1 : rot -160:sc= -0.13 USER MOD Set 3.1: A 56 THR OG1 : rot -11:sc= 0.0557 USER MOD Set 3.2: A 86 CYS SG : rot 2:sc= 0.26 USER MOD Set 4.1: A 81 ASN :FLIP amide:sc= 1.03 F(o=-0.05,f=2.3) USER MOD Set 4.2: A 85 THR OG1 : rot 91:sc= 1.24 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -163:sc=-0.00329 (180deg=-0.145) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.299 X(o=-0.3,f=-0.016) USER MOD Single : A 48 LYS NZ :NH3+ -118:sc= -0.648 (180deg=-1.06) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.944 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot 23:sc= 0.431 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot -22:sc= 0.678 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot -51:sc= 1.04 USER MOD Single : A 112 SER OG : rot -156:sc= 0.874 USER MOD Single : A 115 LYS NZ :NH3+ -129:sc= 0.0139! (180deg=-3.17!) USER MOD Single : A 120 MET CE :methyl -150:sc= -0.473 (180deg=-2.39!) USER MOD ----------------------------------------------------------------- ATOM 362 N PRO A 29 3.672 19.307 -1.355 1.00 0.00 N ATOM 363 CA PRO A 29 2.941 18.038 -1.286 1.00 0.00 C ATOM 364 C PRO A 29 1.481 18.230 -0.889 1.00 0.00 C ATOM 365 O PRO A 29 1.184 18.715 0.203 1.00 0.00 O ATOM 366 CB PRO A 29 3.691 17.255 -0.205 1.00 0.00 C ATOM 367 CG PRO A 29 4.323 18.299 0.649 1.00 0.00 C ATOM 368 CD PRO A 29 4.660 19.439 -0.272 1.00 0.00 C ATOM 0 HA PRO A 29 2.908 17.534 -2.252 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.012 16.628 0.373 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.440 16.594 -0.642 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.643 18.622 1.438 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.218 17.914 1.138 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.576 20.401 0.233 1.00 0.00 H new ATOM 0 HD3 PRO A 29 5.680 19.364 -0.648 1.00 0.00 H new ATOM 376 N ASP A 30 0.575 17.847 -1.781 1.00 0.00 N ATOM 377 CA ASP A 30 -0.855 17.976 -1.522 1.00 0.00 C ATOM 378 C ASP A 30 -1.518 16.605 -1.444 1.00 0.00 C ATOM 379 O ASP A 30 -1.893 16.011 -2.454 1.00 0.00 O ATOM 380 CB ASP A 30 -1.518 18.816 -2.615 1.00 0.00 C ATOM 381 CG ASP A 30 -2.717 19.589 -2.103 1.00 0.00 C ATOM 382 OD1 ASP A 30 -3.635 18.957 -1.539 1.00 0.00 O ATOM 383 OD2 ASP A 30 -2.738 20.827 -2.265 1.00 0.00 O ATOM 0 H ASP A 30 0.805 17.445 -2.690 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.983 18.476 -0.562 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.788 19.513 -3.026 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.831 18.164 -3.431 1.00 0.00 H new ATOM 388 N PRO A 31 -1.667 16.089 -0.214 1.00 0.00 N ATOM 389 CA PRO A 31 -2.285 14.782 0.026 1.00 0.00 C ATOM 390 C PRO A 31 -3.783 14.788 -0.259 1.00 0.00 C ATOM 391 O PRO A 31 -4.350 13.777 -0.673 1.00 0.00 O ATOM 392 CB PRO A 31 -2.025 14.535 1.514 1.00 0.00 C ATOM 393 CG PRO A 31 -1.877 15.895 2.104 1.00 0.00 C ATOM 394 CD PRO A 31 -1.243 16.742 1.036 1.00 0.00 C ATOM 0 HA PRO A 31 -1.875 14.011 -0.626 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -2.850 13.991 1.975 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.126 13.938 1.665 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.845 16.300 2.400 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.256 15.867 3.000 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.586 17.775 1.086 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.157 16.762 1.131 1.00 0.00 H new ATOM 402 N SER A 32 -4.419 15.934 -0.035 1.00 0.00 N ATOM 403 CA SER A 32 -5.852 16.070 -0.265 1.00 0.00 C ATOM 404 C SER A 32 -6.174 15.987 -1.754 1.00 0.00 C ATOM 405 O SER A 32 -7.315 15.734 -2.142 1.00 0.00 O ATOM 406 CB SER A 32 -6.358 17.397 0.304 1.00 0.00 C ATOM 407 OG SER A 32 -6.367 17.374 1.721 1.00 0.00 O ATOM 0 H SER A 32 -3.964 16.781 0.305 1.00 0.00 H new ATOM 0 HA SER A 32 -6.356 15.249 0.244 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.724 18.212 -0.046 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.364 17.595 -0.066 1.00 0.00 H new ATOM 0 HG SER A 32 -6.693 18.234 2.060 1.00 0.00 H new ATOM 413 N LYS A 33 -5.160 16.201 -2.585 1.00 0.00 N ATOM 414 CA LYS A 33 -5.331 16.149 -4.032 1.00 0.00 C ATOM 415 C LYS A 33 -5.099 14.736 -4.558 1.00 0.00 C ATOM 416 O LYS A 33 -5.454 14.419 -5.693 1.00 0.00 O ATOM 417 CB LYS A 33 -4.369 17.124 -4.716 1.00 0.00 C ATOM 418 CG LYS A 33 -4.680 18.583 -4.435 1.00 0.00 C ATOM 419 CD LYS A 33 -5.937 19.035 -5.160 1.00 0.00 C ATOM 420 CE LYS A 33 -6.665 20.125 -4.388 1.00 0.00 C ATOM 421 NZ LYS A 33 -7.328 19.591 -3.167 1.00 0.00 N ATOM 0 H LYS A 33 -4.210 16.412 -2.281 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.356 16.439 -4.261 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.352 16.908 -4.388 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.399 16.956 -5.793 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.805 18.729 -3.362 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.838 19.202 -4.745 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.674 19.404 -6.151 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.602 18.183 -5.303 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.957 20.904 -4.106 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.411 20.590 -5.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.036 20.274 -2.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.796 18.690 -3.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.616 19.436 -2.425 1.00 0.00 H new ATOM 435 N VAL A 34 -4.502 13.890 -3.724 1.00 0.00 N ATOM 436 CA VAL A 34 -4.225 12.510 -4.104 1.00 0.00 C ATOM 437 C VAL A 34 -5.491 11.661 -4.051 1.00 0.00 C ATOM 438 O VAL A 34 -6.029 11.395 -2.977 1.00 0.00 O ATOM 439 CB VAL A 34 -3.159 11.879 -3.189 1.00 0.00 C ATOM 440 CG1 VAL A 34 -2.994 10.400 -3.502 1.00 0.00 C ATOM 441 CG2 VAL A 34 -1.834 12.614 -3.330 1.00 0.00 C ATOM 0 H VAL A 34 -4.201 14.136 -2.781 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.848 12.533 -5.127 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.491 11.971 -2.155 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.237 9.971 -2.846 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.943 9.887 -3.345 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.684 10.280 -4.540 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.092 12.155 -2.677 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.493 12.555 -4.364 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.966 13.659 -3.051 1.00 0.00 H new ATOM 451 N LYS A 35 -5.961 11.238 -5.220 1.00 0.00 N ATOM 452 CA LYS A 35 -7.163 10.417 -5.309 1.00 0.00 C ATOM 453 C LYS A 35 -6.816 8.986 -5.707 1.00 0.00 C ATOM 454 O LYS A 35 -5.983 8.761 -6.584 1.00 0.00 O ATOM 455 CB LYS A 35 -8.141 11.017 -6.322 1.00 0.00 C ATOM 456 CG LYS A 35 -8.925 12.201 -5.783 1.00 0.00 C ATOM 457 CD LYS A 35 -10.071 12.578 -6.707 1.00 0.00 C ATOM 458 CE LYS A 35 -10.431 14.050 -6.577 1.00 0.00 C ATOM 459 NZ LYS A 35 -11.095 14.345 -5.278 1.00 0.00 N ATOM 0 H LYS A 35 -5.528 11.450 -6.119 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.634 10.398 -4.326 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.587 11.331 -7.207 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.840 10.244 -6.641 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -9.317 11.959 -4.795 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.259 13.055 -5.661 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.795 12.360 -7.739 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.943 11.967 -6.474 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.528 14.654 -6.669 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.091 14.336 -7.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.325 15.358 -5.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.970 13.788 -5.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.455 14.096 -4.497 1.00 0.00 H new ATOM 473 N ALA A 36 -7.462 8.023 -5.057 1.00 0.00 N ATOM 474 CA ALA A 36 -7.223 6.614 -5.346 1.00 0.00 C ATOM 475 C ALA A 36 -8.480 5.946 -5.892 1.00 0.00 C ATOM 476 O ALA A 36 -9.465 5.772 -5.173 1.00 0.00 O ATOM 477 CB ALA A 36 -6.741 5.894 -4.096 1.00 0.00 C ATOM 0 H ALA A 36 -8.154 8.193 -4.327 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.448 6.551 -6.110 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.566 4.843 -4.326 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.813 6.349 -3.749 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.498 5.974 -3.316 1.00 0.00 H new ATOM 483 N HIS A 37 -8.440 5.574 -7.167 1.00 0.00 N ATOM 484 CA HIS A 37 -9.577 4.924 -7.810 1.00 0.00 C ATOM 485 C HIS A 37 -9.113 3.779 -8.705 1.00 0.00 C ATOM 486 O HIS A 37 -8.122 3.901 -9.423 1.00 0.00 O ATOM 487 CB HIS A 37 -10.374 5.938 -8.631 1.00 0.00 C ATOM 488 CG HIS A 37 -9.520 6.807 -9.502 1.00 0.00 C ATOM 489 ND1 HIS A 37 -9.435 6.651 -10.869 1.00 0.00 N ATOM 490 CD2 HIS A 37 -8.711 7.848 -9.193 1.00 0.00 C ATOM 491 CE1 HIS A 37 -8.609 7.556 -11.363 1.00 0.00 C ATOM 492 NE2 HIS A 37 -8.157 8.296 -10.367 1.00 0.00 N ATOM 0 H HIS A 37 -7.633 5.711 -7.776 1.00 0.00 H new ATOM 0 HA HIS A 37 -10.219 4.515 -7.030 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -11.091 5.405 -9.255 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -10.949 6.570 -7.954 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -8.534 8.251 -8.207 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -8.348 7.671 -12.405 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -7.503 9.074 -10.455 1.00 0.00 H new ATOM 501 N GLY A 38 -9.838 2.665 -8.656 1.00 0.00 N ATOM 502 CA GLY A 38 -9.484 1.514 -9.467 1.00 0.00 C ATOM 503 C GLY A 38 -10.128 0.235 -8.969 1.00 0.00 C ATOM 504 O GLY A 38 -10.821 0.219 -7.952 1.00 0.00 O ATOM 0 H GLY A 38 -10.663 2.539 -8.070 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.788 1.693 -10.498 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.401 1.395 -9.470 1.00 0.00 H new ATOM 508 N PRO A 39 -9.900 -0.869 -9.697 1.00 0.00 N ATOM 509 CA PRO A 39 -10.455 -2.179 -9.343 1.00 0.00 C ATOM 510 C PRO A 39 -9.817 -2.758 -8.085 1.00 0.00 C ATOM 511 O PRO A 39 -10.509 -3.255 -7.198 1.00 0.00 O ATOM 512 CB PRO A 39 -10.121 -3.046 -10.559 1.00 0.00 C ATOM 513 CG PRO A 39 -8.927 -2.397 -11.170 1.00 0.00 C ATOM 514 CD PRO A 39 -9.083 -0.923 -10.920 1.00 0.00 C ATOM 0 HA PRO A 39 -11.521 -2.124 -9.121 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -9.906 -4.074 -10.266 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.954 -3.082 -11.261 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.007 -2.773 -10.723 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.872 -2.608 -12.238 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.118 -0.435 -10.781 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -9.575 -0.424 -11.755 1.00 0.00 H new ATOM 522 N GLY A 40 -8.491 -2.690 -8.014 1.00 0.00 N ATOM 523 CA GLY A 40 -7.781 -3.211 -6.860 1.00 0.00 C ATOM 524 C GLY A 40 -8.364 -2.718 -5.550 1.00 0.00 C ATOM 525 O GLY A 40 -8.181 -3.344 -4.506 1.00 0.00 O ATOM 0 H GLY A 40 -7.896 -2.283 -8.735 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.811 -4.300 -6.880 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.732 -2.919 -6.920 1.00 0.00 H new ATOM 529 N LEU A 41 -9.065 -1.591 -5.604 1.00 0.00 N ATOM 530 CA LEU A 41 -9.675 -1.012 -4.412 1.00 0.00 C ATOM 531 C LEU A 41 -10.991 -1.708 -4.081 1.00 0.00 C ATOM 532 O LEU A 41 -11.307 -1.936 -2.913 1.00 0.00 O ATOM 533 CB LEU A 41 -9.914 0.485 -4.613 1.00 0.00 C ATOM 534 CG LEU A 41 -8.720 1.293 -5.123 1.00 0.00 C ATOM 535 CD1 LEU A 41 -9.146 2.708 -5.483 1.00 0.00 C ATOM 536 CD2 LEU A 41 -7.609 1.317 -4.083 1.00 0.00 C ATOM 0 H LEU A 41 -9.225 -1.060 -6.460 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.989 -1.155 -3.577 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -10.738 0.610 -5.315 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.237 0.912 -3.663 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.338 0.811 -6.023 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.283 3.267 -5.844 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.907 2.672 -6.263 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.554 3.201 -4.601 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.767 1.896 -4.463 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.979 1.774 -3.165 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.283 0.298 -3.875 1.00 0.00 H new ATOM 548 N GLU A 42 -11.754 -2.046 -5.116 1.00 0.00 N ATOM 549 CA GLU A 42 -13.035 -2.718 -4.934 1.00 0.00 C ATOM 550 C GLU A 42 -12.833 -4.196 -4.615 1.00 0.00 C ATOM 551 O GLU A 42 -13.564 -4.774 -3.811 1.00 0.00 O ATOM 552 CB GLU A 42 -13.897 -2.569 -6.190 1.00 0.00 C ATOM 553 CG GLU A 42 -14.253 -1.128 -6.516 1.00 0.00 C ATOM 554 CD GLU A 42 -14.550 -0.920 -7.989 1.00 0.00 C ATOM 555 OE1 GLU A 42 -13.669 -1.226 -8.819 1.00 0.00 O ATOM 556 OE2 GLU A 42 -15.661 -0.451 -8.310 1.00 0.00 O ATOM 0 H GLU A 42 -11.507 -1.865 -6.089 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.546 -2.249 -4.093 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.368 -3.004 -7.038 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.816 -3.141 -6.060 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.121 -0.830 -5.928 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -13.430 -0.478 -6.220 1.00 0.00 H new ATOM 563 N GLY A 43 -11.835 -4.803 -5.251 1.00 0.00 N ATOM 564 CA GLY A 43 -11.555 -6.208 -5.022 1.00 0.00 C ATOM 565 C GLY A 43 -10.961 -6.886 -6.241 1.00 0.00 C ATOM 566 O GLY A 43 -10.700 -6.240 -7.254 1.00 0.00 O ATOM 0 H GLY A 43 -11.216 -4.346 -5.921 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.866 -6.306 -4.183 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.476 -6.718 -4.739 1.00 0.00 H new ATOM 570 N GLY A 44 -10.744 -8.195 -6.141 1.00 0.00 N ATOM 571 CA GLY A 44 -10.176 -8.939 -7.250 1.00 0.00 C ATOM 572 C GLY A 44 -10.285 -10.438 -7.058 1.00 0.00 C ATOM 573 O GLY A 44 -11.386 -10.980 -6.946 1.00 0.00 O ATOM 0 H GLY A 44 -10.951 -8.752 -5.312 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.684 -8.656 -8.172 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.127 -8.666 -7.368 1.00 0.00 H new ATOM 577 N LEU A 45 -9.141 -11.113 -7.021 1.00 0.00 N ATOM 578 CA LEU A 45 -9.111 -12.560 -6.842 1.00 0.00 C ATOM 579 C LEU A 45 -7.830 -12.996 -6.138 1.00 0.00 C ATOM 580 O LEU A 45 -6.778 -12.378 -6.303 1.00 0.00 O ATOM 581 CB LEU A 45 -9.227 -13.263 -8.196 1.00 0.00 C ATOM 582 CG LEU A 45 -10.521 -13.016 -8.972 1.00 0.00 C ATOM 583 CD1 LEU A 45 -10.352 -13.410 -10.431 1.00 0.00 C ATOM 584 CD2 LEU A 45 -11.675 -13.782 -8.341 1.00 0.00 C ATOM 0 H LEU A 45 -8.222 -10.681 -7.113 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.960 -12.842 -6.219 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.388 -12.950 -8.818 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.122 -14.336 -8.036 1.00 0.00 H new ATOM 0 HG LEU A 45 -10.751 -11.951 -8.929 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -11.283 -13.227 -10.967 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.554 -12.818 -10.878 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.098 -14.468 -10.495 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -12.588 -13.595 -8.906 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.453 -14.849 -8.353 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.811 -13.451 -7.311 1.00 0.00 H new ATOM 596 N VAL A 46 -7.926 -14.065 -5.354 1.00 0.00 N ATOM 597 CA VAL A 46 -6.774 -14.586 -4.628 1.00 0.00 C ATOM 598 C VAL A 46 -5.681 -15.045 -5.586 1.00 0.00 C ATOM 599 O VAL A 46 -5.964 -15.599 -6.648 1.00 0.00 O ATOM 600 CB VAL A 46 -7.171 -15.764 -3.717 1.00 0.00 C ATOM 601 CG1 VAL A 46 -5.978 -16.230 -2.897 1.00 0.00 C ATOM 602 CG2 VAL A 46 -8.329 -15.371 -2.813 1.00 0.00 C ATOM 0 H VAL A 46 -8.790 -14.587 -5.205 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.394 -13.771 -4.012 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.496 -16.593 -4.345 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.277 -17.062 -2.260 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.181 -16.554 -3.566 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.620 -15.409 -2.277 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.596 -16.215 -2.177 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.034 -14.526 -2.191 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.188 -15.090 -3.423 1.00 0.00 H new ATOM 612 N GLY A 47 -4.430 -14.810 -5.204 1.00 0.00 N ATOM 613 CA GLY A 47 -3.312 -15.206 -6.040 1.00 0.00 C ATOM 614 C GLY A 47 -3.338 -14.534 -7.398 1.00 0.00 C ATOM 615 O GLY A 47 -2.619 -14.937 -8.313 1.00 0.00 O ATOM 0 H GLY A 47 -4.170 -14.352 -4.330 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.379 -14.960 -5.534 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.327 -16.288 -6.173 1.00 0.00 H new ATOM 619 N LYS A 48 -4.169 -13.507 -7.533 1.00 0.00 N ATOM 620 CA LYS A 48 -4.288 -12.776 -8.789 1.00 0.00 C ATOM 621 C LYS A 48 -3.821 -11.333 -8.626 1.00 0.00 C ATOM 622 O LYS A 48 -3.946 -10.732 -7.558 1.00 0.00 O ATOM 623 CB LYS A 48 -5.736 -12.802 -9.283 1.00 0.00 C ATOM 624 CG LYS A 48 -6.050 -13.983 -10.185 1.00 0.00 C ATOM 625 CD LYS A 48 -7.145 -13.646 -11.183 1.00 0.00 C ATOM 626 CE LYS A 48 -6.569 -13.078 -12.471 1.00 0.00 C ATOM 627 NZ LYS A 48 -6.445 -11.595 -12.416 1.00 0.00 N ATOM 0 H LYS A 48 -4.772 -13.161 -6.786 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.650 -13.264 -9.526 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.404 -12.825 -8.422 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.944 -11.878 -9.823 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.149 -14.283 -10.720 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.359 -14.834 -9.578 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.724 -14.542 -11.406 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.832 -12.924 -10.741 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.589 -13.518 -12.656 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.207 -13.358 -13.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.043 -11.169 -13.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.751 -11.255 -11.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.454 -11.323 -12.575 1.00 0.00 H new ATOM 641 N PRO A 49 -3.270 -10.762 -9.707 1.00 0.00 N ATOM 642 CA PRO A 49 -2.775 -9.383 -9.709 1.00 0.00 C ATOM 643 C PRO A 49 -3.905 -8.362 -9.624 1.00 0.00 C ATOM 644 O PRO A 49 -4.884 -8.442 -10.365 1.00 0.00 O ATOM 645 CB PRO A 49 -2.050 -9.267 -11.052 1.00 0.00 C ATOM 646 CG PRO A 49 -2.700 -10.287 -11.922 1.00 0.00 C ATOM 647 CD PRO A 49 -3.089 -11.420 -11.012 1.00 0.00 C ATOM 0 HA PRO A 49 -2.140 -9.177 -8.848 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -2.151 -8.266 -11.472 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.983 -9.461 -10.944 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.574 -9.872 -12.424 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.017 -10.628 -12.700 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.004 -11.908 -11.346 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.315 -12.187 -10.972 1.00 0.00 H new ATOM 655 N ALA A 50 -3.762 -7.402 -8.715 1.00 0.00 N ATOM 656 CA ALA A 50 -4.769 -6.364 -8.536 1.00 0.00 C ATOM 657 C ALA A 50 -4.120 -5.001 -8.322 1.00 0.00 C ATOM 658 O ALA A 50 -3.470 -4.766 -7.304 1.00 0.00 O ATOM 659 CB ALA A 50 -5.678 -6.707 -7.365 1.00 0.00 C ATOM 0 H ALA A 50 -2.959 -7.322 -8.092 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.369 -6.313 -9.445 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.425 -5.923 -7.243 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.177 -7.657 -7.558 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.084 -6.787 -6.455 1.00 0.00 H new ATOM 665 N GLU A 51 -4.301 -4.106 -9.289 1.00 0.00 N ATOM 666 CA GLU A 51 -3.732 -2.766 -9.206 1.00 0.00 C ATOM 667 C GLU A 51 -4.819 -1.704 -9.333 1.00 0.00 C ATOM 668 O GLU A 51 -5.960 -2.005 -9.685 1.00 0.00 O ATOM 669 CB GLU A 51 -2.679 -2.567 -10.298 1.00 0.00 C ATOM 670 CG GLU A 51 -3.038 -3.229 -11.618 1.00 0.00 C ATOM 671 CD GLU A 51 -1.896 -3.200 -12.615 1.00 0.00 C ATOM 672 OE1 GLU A 51 -1.460 -2.091 -12.987 1.00 0.00 O ATOM 673 OE2 GLU A 51 -1.438 -4.288 -13.023 1.00 0.00 O ATOM 0 H GLU A 51 -4.837 -4.285 -10.138 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.258 -2.660 -8.230 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.537 -1.499 -10.464 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.726 -2.965 -9.949 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.329 -4.263 -11.434 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.904 -2.726 -12.049 1.00 0.00 H new ATOM 680 N PHE A 52 -4.458 -0.458 -9.042 1.00 0.00 N ATOM 681 CA PHE A 52 -5.402 0.650 -9.122 1.00 0.00 C ATOM 682 C PHE A 52 -4.742 1.884 -9.730 1.00 0.00 C ATOM 683 O PHE A 52 -3.555 1.871 -10.056 1.00 0.00 O ATOM 684 CB PHE A 52 -5.949 0.983 -7.732 1.00 0.00 C ATOM 685 CG PHE A 52 -4.914 0.908 -6.647 1.00 0.00 C ATOM 686 CD1 PHE A 52 -4.530 -0.315 -6.121 1.00 0.00 C ATOM 687 CD2 PHE A 52 -4.324 2.060 -6.152 1.00 0.00 C ATOM 688 CE1 PHE A 52 -3.577 -0.388 -5.122 1.00 0.00 C ATOM 689 CE2 PHE A 52 -3.371 1.993 -5.154 1.00 0.00 C ATOM 690 CZ PHE A 52 -2.998 0.768 -4.637 1.00 0.00 C ATOM 0 H PHE A 52 -3.518 -0.191 -8.749 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.227 0.346 -9.766 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.374 1.986 -7.749 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.762 0.296 -7.496 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.981 -1.222 -6.496 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.612 3.021 -6.551 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.286 -1.348 -4.722 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.918 2.898 -4.778 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.255 0.714 -3.855 1.00 0.00 H new ATOM 700 N THR A 53 -5.521 2.951 -9.881 1.00 0.00 N ATOM 701 CA THR A 53 -5.015 4.193 -10.452 1.00 0.00 C ATOM 702 C THR A 53 -4.969 5.300 -9.405 1.00 0.00 C ATOM 703 O THR A 53 -5.973 5.598 -8.758 1.00 0.00 O ATOM 704 CB THR A 53 -5.879 4.659 -11.638 1.00 0.00 C ATOM 705 OG1 THR A 53 -6.102 3.570 -12.540 1.00 0.00 O ATOM 706 CG2 THR A 53 -5.209 5.808 -12.377 1.00 0.00 C ATOM 0 H THR A 53 -6.505 2.980 -9.615 1.00 0.00 H new ATOM 0 HA THR A 53 -4.005 3.990 -10.807 1.00 0.00 H new ATOM 0 HB THR A 53 -6.835 5.008 -11.247 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.654 3.875 -13.290 1.00 0.00 H new ATOM 0 HG21 THR A 53 -5.838 6.120 -13.211 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.068 6.646 -11.695 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.240 5.482 -12.756 1.00 0.00 H new ATOM 714 N ILE A 54 -3.798 5.907 -9.244 1.00 0.00 N ATOM 715 CA ILE A 54 -3.622 6.983 -8.276 1.00 0.00 C ATOM 716 C ILE A 54 -3.286 8.298 -8.971 1.00 0.00 C ATOM 717 O ILE A 54 -2.430 8.343 -9.855 1.00 0.00 O ATOM 718 CB ILE A 54 -2.511 6.652 -7.262 1.00 0.00 C ATOM 719 CG1 ILE A 54 -2.830 5.346 -6.531 1.00 0.00 C ATOM 720 CG2 ILE A 54 -2.344 7.793 -6.269 1.00 0.00 C ATOM 721 CD1 ILE A 54 -1.671 4.809 -5.721 1.00 0.00 C ATOM 0 H ILE A 54 -2.957 5.672 -9.771 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.568 7.087 -7.744 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.573 6.525 -7.802 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.681 5.508 -5.870 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.132 4.595 -7.261 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.555 7.545 -5.559 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.077 8.705 -6.804 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.280 7.948 -5.732 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.968 3.882 -5.230 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.825 4.615 -6.381 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.383 5.542 -4.968 1.00 0.00 H new ATOM 733 N ASP A 55 -3.963 9.366 -8.564 1.00 0.00 N ATOM 734 CA ASP A 55 -3.734 10.683 -9.145 1.00 0.00 C ATOM 735 C ASP A 55 -2.805 11.512 -8.264 1.00 0.00 C ATOM 736 O ASP A 55 -3.216 12.033 -7.226 1.00 0.00 O ATOM 737 CB ASP A 55 -5.062 11.416 -9.339 1.00 0.00 C ATOM 738 CG ASP A 55 -4.879 12.913 -9.500 1.00 0.00 C ATOM 739 OD1 ASP A 55 -4.508 13.349 -10.609 1.00 0.00 O ATOM 740 OD2 ASP A 55 -5.107 13.648 -8.516 1.00 0.00 O ATOM 0 H ASP A 55 -4.675 9.345 -7.834 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.258 10.547 -10.116 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.568 11.018 -10.219 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.709 11.222 -8.484 1.00 0.00 H new ATOM 745 N THR A 56 -1.549 11.630 -8.683 1.00 0.00 N ATOM 746 CA THR A 56 -0.561 12.393 -7.931 1.00 0.00 C ATOM 747 C THR A 56 0.146 13.407 -8.823 1.00 0.00 C ATOM 748 O THR A 56 1.303 13.758 -8.588 1.00 0.00 O ATOM 749 CB THR A 56 0.492 11.470 -7.288 1.00 0.00 C ATOM 750 OG1 THR A 56 1.222 10.777 -8.306 1.00 0.00 O ATOM 751 CG2 THR A 56 -0.167 10.465 -6.356 1.00 0.00 C ATOM 0 H THR A 56 -1.192 11.207 -9.540 1.00 0.00 H new ATOM 0 HA THR A 56 -1.101 12.919 -7.144 1.00 0.00 H new ATOM 0 HB THR A 56 1.177 12.086 -6.706 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.780 10.907 -9.171 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.596 9.824 -5.914 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.698 10.996 -5.566 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.872 9.854 -6.920 1.00 0.00 H new ATOM 759 N LYS A 57 -0.557 13.877 -9.848 1.00 0.00 N ATOM 760 CA LYS A 57 0.002 14.853 -10.776 1.00 0.00 C ATOM 761 C LYS A 57 -0.104 16.265 -10.209 1.00 0.00 C ATOM 762 O LYS A 57 0.869 17.018 -10.206 1.00 0.00 O ATOM 763 CB LYS A 57 -0.719 14.778 -12.123 1.00 0.00 C ATOM 764 CG LYS A 57 -2.212 15.045 -12.030 1.00 0.00 C ATOM 765 CD LYS A 57 -2.920 14.713 -13.333 1.00 0.00 C ATOM 766 CE LYS A 57 -2.864 13.223 -13.634 1.00 0.00 C ATOM 767 NZ LYS A 57 -3.736 12.857 -14.784 1.00 0.00 N ATOM 0 H LYS A 57 -1.515 13.598 -10.057 1.00 0.00 H new ATOM 0 HA LYS A 57 1.056 14.616 -10.921 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.271 15.500 -12.806 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.561 13.790 -12.555 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.639 14.452 -11.221 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.380 16.092 -11.780 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.960 15.035 -13.276 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.459 15.268 -14.150 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.836 12.935 -13.852 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.172 12.662 -12.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.670 11.834 -14.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.721 13.109 -14.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.426 13.373 -15.632 1.00 0.00 H new ATOM 781 N GLY A 58 -1.292 16.618 -9.727 1.00 0.00 N ATOM 782 CA GLY A 58 -1.502 17.938 -9.162 1.00 0.00 C ATOM 783 C GLY A 58 -1.378 17.949 -7.652 1.00 0.00 C ATOM 784 O GLY A 58 -1.936 18.818 -6.983 1.00 0.00 O ATOM 0 H GLY A 58 -2.113 16.013 -9.718 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.777 18.632 -9.588 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.491 18.298 -9.445 1.00 0.00 H new ATOM 788 N ALA A 59 -0.646 16.980 -7.112 1.00 0.00 N ATOM 789 CA ALA A 59 -0.451 16.882 -5.671 1.00 0.00 C ATOM 790 C ALA A 59 0.868 17.522 -5.251 1.00 0.00 C ATOM 791 O ALA A 59 0.929 18.249 -4.261 1.00 0.00 O ATOM 792 CB ALA A 59 -0.498 15.426 -5.230 1.00 0.00 C ATOM 0 H ALA A 59 -0.178 16.252 -7.651 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.260 17.425 -5.182 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.351 15.368 -4.152 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.467 14.999 -5.488 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.290 14.867 -5.734 1.00 0.00 H new ATOM 798 N GLY A 60 1.924 17.245 -6.011 1.00 0.00 N ATOM 799 CA GLY A 60 3.228 17.801 -5.701 1.00 0.00 C ATOM 800 C GLY A 60 4.343 16.786 -5.855 1.00 0.00 C ATOM 801 O GLY A 60 4.368 16.022 -6.821 1.00 0.00 O ATOM 0 H GLY A 60 1.899 16.645 -6.836 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.422 18.651 -6.355 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.224 18.180 -4.679 1.00 0.00 H new ATOM 805 N THR A 61 5.270 16.777 -4.902 1.00 0.00 N ATOM 806 CA THR A 61 6.394 15.851 -4.938 1.00 0.00 C ATOM 807 C THR A 61 6.907 15.553 -3.534 1.00 0.00 C ATOM 808 O THR A 61 7.462 16.426 -2.868 1.00 0.00 O ATOM 809 CB THR A 61 7.552 16.406 -5.788 1.00 0.00 C ATOM 810 OG1 THR A 61 7.071 16.790 -7.082 1.00 0.00 O ATOM 811 CG2 THR A 61 8.657 15.371 -5.939 1.00 0.00 C ATOM 0 H THR A 61 5.264 17.401 -4.095 1.00 0.00 H new ATOM 0 HA THR A 61 6.029 14.929 -5.391 1.00 0.00 H new ATOM 0 HB THR A 61 7.960 17.279 -5.279 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.813 17.143 -7.615 1.00 0.00 H new ATOM 0 HG21 THR A 61 9.464 15.786 -6.543 1.00 0.00 H new ATOM 0 HG22 THR A 61 9.041 15.103 -4.955 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.258 14.482 -6.427 1.00 0.00 H new ATOM 819 N GLY A 62 6.717 14.315 -3.089 1.00 0.00 N ATOM 820 CA GLY A 62 7.167 13.924 -1.766 1.00 0.00 C ATOM 821 C GLY A 62 7.322 12.423 -1.626 1.00 0.00 C ATOM 822 O GLY A 62 7.690 11.739 -2.580 1.00 0.00 O ATOM 0 H GLY A 62 6.259 13.575 -3.621 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.121 14.406 -1.553 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.455 14.283 -1.023 1.00 0.00 H new ATOM 826 N GLY A 63 7.043 11.910 -0.432 1.00 0.00 N ATOM 827 CA GLY A 63 7.162 10.483 -0.191 1.00 0.00 C ATOM 828 C GLY A 63 5.835 9.842 0.164 1.00 0.00 C ATOM 829 O GLY A 63 5.250 10.146 1.204 1.00 0.00 O ATOM 0 H GLY A 63 6.737 12.456 0.373 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.569 10.000 -1.080 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.872 10.312 0.618 1.00 0.00 H new ATOM 833 N LEU A 64 5.358 8.955 -0.702 1.00 0.00 N ATOM 834 CA LEU A 64 4.090 8.271 -0.476 1.00 0.00 C ATOM 835 C LEU A 64 4.317 6.892 0.136 1.00 0.00 C ATOM 836 O LEU A 64 5.116 6.103 -0.366 1.00 0.00 O ATOM 837 CB LEU A 64 3.318 8.137 -1.789 1.00 0.00 C ATOM 838 CG LEU A 64 1.933 7.497 -1.692 1.00 0.00 C ATOM 839 CD1 LEU A 64 0.876 8.552 -1.405 1.00 0.00 C ATOM 840 CD2 LEU A 64 1.603 6.742 -2.972 1.00 0.00 C ATOM 0 H LEU A 64 5.830 8.693 -1.567 1.00 0.00 H new ATOM 0 HA LEU A 64 3.504 8.867 0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.207 9.130 -2.225 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.920 7.550 -2.482 1.00 0.00 H new ATOM 0 HG LEU A 64 1.940 6.786 -0.866 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.103 8.078 -1.339 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.103 9.047 -0.461 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.869 9.288 -2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.614 6.293 -2.885 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.615 7.433 -3.815 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.344 5.959 -3.134 1.00 0.00 H new ATOM 852 N GLY A 65 3.607 6.608 1.224 1.00 0.00 N ATOM 853 CA GLY A 65 3.744 5.324 1.885 1.00 0.00 C ATOM 854 C GLY A 65 2.547 4.423 1.655 1.00 0.00 C ATOM 855 O GLY A 65 1.410 4.803 1.939 1.00 0.00 O ATOM 0 H GLY A 65 2.939 7.245 1.659 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.644 4.827 1.523 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.876 5.482 2.955 1.00 0.00 H new ATOM 859 N LEU A 66 2.800 3.226 1.138 1.00 0.00 N ATOM 860 CA LEU A 66 1.734 2.268 0.868 1.00 0.00 C ATOM 861 C LEU A 66 1.960 0.970 1.638 1.00 0.00 C ATOM 862 O LEU A 66 2.963 0.284 1.440 1.00 0.00 O ATOM 863 CB LEU A 66 1.651 1.976 -0.631 1.00 0.00 C ATOM 864 CG LEU A 66 0.316 1.428 -1.136 1.00 0.00 C ATOM 865 CD1 LEU A 66 -0.704 2.548 -1.274 1.00 0.00 C ATOM 866 CD2 LEU A 66 0.502 0.707 -2.463 1.00 0.00 C ATOM 0 H LEU A 66 3.734 2.896 0.897 1.00 0.00 H new ATOM 0 HA LEU A 66 0.793 2.707 1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.871 2.896 -1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.434 1.261 -0.885 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.059 0.711 -0.406 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.648 2.138 -1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.860 3.019 -0.304 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.336 3.290 -1.983 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.459 0.324 -2.807 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.901 1.402 -3.202 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.197 -0.122 -2.332 1.00 0.00 H new ATOM 878 N THR A 67 1.019 0.638 2.517 1.00 0.00 N ATOM 879 CA THR A 67 1.114 -0.577 3.316 1.00 0.00 C ATOM 880 C THR A 67 -0.207 -1.337 3.320 1.00 0.00 C ATOM 881 O THR A 67 -1.275 -0.746 3.480 1.00 0.00 O ATOM 882 CB THR A 67 1.518 -0.264 4.769 1.00 0.00 C ATOM 883 OG1 THR A 67 0.784 0.868 5.248 1.00 0.00 O ATOM 884 CG2 THR A 67 3.011 0.014 4.868 1.00 0.00 C ATOM 0 H THR A 67 0.182 1.194 2.693 1.00 0.00 H new ATOM 0 HA THR A 67 1.885 -1.197 2.858 1.00 0.00 H new ATOM 0 HB THR A 67 1.285 -1.134 5.383 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.045 1.060 6.173 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.273 0.232 5.903 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.567 -0.860 4.530 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.264 0.869 4.242 1.00 0.00 H new ATOM 892 N VAL A 68 -0.129 -2.652 3.144 1.00 0.00 N ATOM 893 CA VAL A 68 -1.319 -3.494 3.129 1.00 0.00 C ATOM 894 C VAL A 68 -1.621 -4.042 4.519 1.00 0.00 C ATOM 895 O VAL A 68 -0.924 -4.928 5.013 1.00 0.00 O ATOM 896 CB VAL A 68 -1.162 -4.671 2.148 1.00 0.00 C ATOM 897 CG1 VAL A 68 -2.340 -5.627 2.268 1.00 0.00 C ATOM 898 CG2 VAL A 68 -1.022 -4.160 0.722 1.00 0.00 C ATOM 0 H VAL A 68 0.747 -3.158 3.010 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.147 -2.866 2.801 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.254 -5.217 2.405 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.212 -6.452 1.567 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.389 -6.018 3.284 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.264 -5.096 2.038 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.912 -5.005 0.042 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.910 -3.589 0.451 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.143 -3.519 0.650 1.00 0.00 H new ATOM 908 N GLU A 69 -2.666 -3.510 5.146 1.00 0.00 N ATOM 909 CA GLU A 69 -3.060 -3.946 6.480 1.00 0.00 C ATOM 910 C GLU A 69 -4.134 -5.028 6.403 1.00 0.00 C ATOM 911 O GLU A 69 -5.309 -4.770 6.659 1.00 0.00 O ATOM 912 CB GLU A 69 -3.573 -2.759 7.298 1.00 0.00 C ATOM 913 CG GLU A 69 -2.474 -1.817 7.759 1.00 0.00 C ATOM 914 CD GLU A 69 -1.613 -2.416 8.854 1.00 0.00 C ATOM 915 OE1 GLU A 69 -1.620 -3.657 9.002 1.00 0.00 O ATOM 916 OE2 GLU A 69 -0.934 -1.646 9.564 1.00 0.00 O ATOM 0 H GLU A 69 -3.255 -2.777 4.751 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.182 -4.364 6.972 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.292 -2.200 6.699 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.108 -3.134 8.170 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.844 -1.556 6.909 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.922 -0.891 8.120 1.00 0.00 H new ATOM 923 N GLY A 70 -3.720 -6.241 6.049 1.00 0.00 N ATOM 924 CA GLY A 70 -4.658 -7.343 5.944 1.00 0.00 C ATOM 925 C GLY A 70 -4.323 -8.481 6.888 1.00 0.00 C ATOM 926 O GLY A 70 -3.436 -8.373 7.735 1.00 0.00 O ATOM 0 H GLY A 70 -2.752 -6.480 5.833 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.664 -6.982 6.158 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.664 -7.715 4.919 1.00 0.00 H new ATOM 930 N PRO A 71 -5.045 -9.603 6.749 1.00 0.00 N ATOM 931 CA PRO A 71 -4.838 -10.786 7.589 1.00 0.00 C ATOM 932 C PRO A 71 -3.516 -11.484 7.291 1.00 0.00 C ATOM 933 O PRO A 71 -3.082 -12.358 8.043 1.00 0.00 O ATOM 934 CB PRO A 71 -6.016 -11.692 7.220 1.00 0.00 C ATOM 935 CG PRO A 71 -6.395 -11.278 5.840 1.00 0.00 C ATOM 936 CD PRO A 71 -6.118 -9.802 5.761 1.00 0.00 C ATOM 0 HA PRO A 71 -4.793 -10.532 8.648 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -5.732 -12.744 7.254 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -6.847 -11.564 7.914 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -5.816 -11.824 5.096 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.446 -11.489 5.644 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -5.803 -9.505 4.761 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -7.003 -9.214 6.004 1.00 0.00 H new ATOM 944 N CYS A 72 -2.879 -11.093 6.193 1.00 0.00 N ATOM 945 CA CYS A 72 -1.605 -11.682 5.797 1.00 0.00 C ATOM 946 C CYS A 72 -0.720 -10.649 5.107 1.00 0.00 C ATOM 947 O CYS A 72 -1.158 -9.536 4.819 1.00 0.00 O ATOM 948 CB CYS A 72 -1.838 -12.874 4.867 1.00 0.00 C ATOM 949 SG CYS A 72 -0.549 -14.139 4.953 1.00 0.00 S ATOM 0 H CYS A 72 -3.224 -10.370 5.561 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.096 -12.027 6.697 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -2.797 -13.330 5.112 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -1.910 -12.512 3.841 1.00 0.00 H new ATOM 0 HG CYS A 72 -1.011 -15.262 4.488 1.00 0.00 H new ATOM 955 N GLU A 73 0.529 -11.026 4.848 1.00 0.00 N ATOM 956 CA GLU A 73 1.476 -10.130 4.195 1.00 0.00 C ATOM 957 C GLU A 73 1.451 -10.321 2.681 1.00 0.00 C ATOM 958 O GLU A 73 2.135 -11.191 2.144 1.00 0.00 O ATOM 959 CB GLU A 73 2.890 -10.371 4.727 1.00 0.00 C ATOM 960 CG GLU A 73 3.960 -9.584 3.990 1.00 0.00 C ATOM 961 CD GLU A 73 5.334 -9.741 4.614 1.00 0.00 C ATOM 962 OE1 GLU A 73 5.483 -9.410 5.809 1.00 0.00 O ATOM 963 OE2 GLU A 73 6.258 -10.195 3.908 1.00 0.00 O ATOM 0 H GLU A 73 0.908 -11.944 5.080 1.00 0.00 H new ATOM 0 HA GLU A 73 1.181 -9.105 4.419 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.921 -10.108 5.784 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.119 -11.434 4.656 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.997 -9.913 2.951 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.688 -8.529 3.981 1.00 0.00 H new ATOM 970 N ALA A 74 0.656 -9.502 2.000 1.00 0.00 N ATOM 971 CA ALA A 74 0.543 -9.579 0.549 1.00 0.00 C ATOM 972 C ALA A 74 1.592 -8.707 -0.131 1.00 0.00 C ATOM 973 O ALA A 74 1.765 -7.539 0.217 1.00 0.00 O ATOM 974 CB ALA A 74 -0.854 -9.169 0.107 1.00 0.00 C ATOM 0 H ALA A 74 0.081 -8.778 2.430 1.00 0.00 H new ATOM 0 HA ALA A 74 0.719 -10.612 0.250 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.925 -9.231 -0.979 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.589 -9.837 0.557 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.051 -8.145 0.426 1.00 0.00 H new ATOM 980 N LYS A 75 2.293 -9.283 -1.103 1.00 0.00 N ATOM 981 CA LYS A 75 3.326 -8.558 -1.833 1.00 0.00 C ATOM 982 C LYS A 75 2.744 -7.331 -2.527 1.00 0.00 C ATOM 983 O LYS A 75 1.582 -7.330 -2.934 1.00 0.00 O ATOM 984 CB LYS A 75 3.988 -9.475 -2.865 1.00 0.00 C ATOM 985 CG LYS A 75 5.430 -9.108 -3.169 1.00 0.00 C ATOM 986 CD LYS A 75 6.142 -10.220 -3.921 1.00 0.00 C ATOM 987 CE LYS A 75 6.549 -11.351 -2.989 1.00 0.00 C ATOM 988 NZ LYS A 75 6.739 -12.633 -3.723 1.00 0.00 N ATOM 0 H LYS A 75 2.164 -10.249 -1.403 1.00 0.00 H new ATOM 0 HA LYS A 75 4.077 -8.225 -1.116 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.952 -10.502 -2.502 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.411 -9.444 -3.789 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.456 -8.193 -3.760 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.958 -8.901 -2.238 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.489 -10.608 -4.703 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.027 -9.818 -4.415 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.474 -11.085 -2.477 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.786 -11.482 -2.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.016 -13.379 -3.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.849 -12.900 -4.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.485 -12.516 -4.438 1.00 0.00 H new ATOM 1002 N ILE A 76 3.558 -6.290 -2.659 1.00 0.00 N ATOM 1003 CA ILE A 76 3.123 -5.058 -3.306 1.00 0.00 C ATOM 1004 C ILE A 76 4.155 -4.576 -4.321 1.00 0.00 C ATOM 1005 O ILE A 76 5.313 -4.341 -3.979 1.00 0.00 O ATOM 1006 CB ILE A 76 2.872 -3.940 -2.277 1.00 0.00 C ATOM 1007 CG1 ILE A 76 2.016 -4.464 -1.122 1.00 0.00 C ATOM 1008 CG2 ILE A 76 2.200 -2.749 -2.943 1.00 0.00 C ATOM 1009 CD1 ILE A 76 2.192 -3.684 0.163 1.00 0.00 C ATOM 0 H ILE A 76 4.522 -6.275 -2.327 1.00 0.00 H new ATOM 0 HA ILE A 76 2.189 -5.285 -3.820 1.00 0.00 H new ATOM 0 HB ILE A 76 3.831 -3.613 -1.875 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.967 -4.434 -1.415 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.266 -5.509 -0.940 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.029 -1.967 -2.203 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.843 -2.365 -3.735 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.246 -3.061 -3.369 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.555 -4.111 0.938 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.234 -3.735 0.480 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.914 -2.643 -0.002 1.00 0.00 H new ATOM 1021 N GLU A 77 3.724 -4.431 -5.570 1.00 0.00 N ATOM 1022 CA GLU A 77 4.611 -3.976 -6.635 1.00 0.00 C ATOM 1023 C GLU A 77 4.266 -2.551 -7.059 1.00 0.00 C ATOM 1024 O GLU A 77 3.307 -2.328 -7.799 1.00 0.00 O ATOM 1025 CB GLU A 77 4.521 -4.915 -7.840 1.00 0.00 C ATOM 1026 CG GLU A 77 5.451 -6.113 -7.749 1.00 0.00 C ATOM 1027 CD GLU A 77 5.314 -6.859 -6.437 1.00 0.00 C ATOM 1028 OE1 GLU A 77 5.774 -6.330 -5.403 1.00 0.00 O ATOM 1029 OE2 GLU A 77 4.749 -7.973 -6.443 1.00 0.00 O ATOM 0 H GLU A 77 2.768 -4.622 -5.869 1.00 0.00 H new ATOM 0 HA GLU A 77 5.631 -3.985 -6.252 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.495 -5.269 -7.938 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.753 -4.354 -8.745 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.242 -6.794 -8.574 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.482 -5.778 -7.866 1.00 0.00 H new ATOM 1036 N CYS A 78 5.053 -1.592 -6.584 1.00 0.00 N ATOM 1037 CA CYS A 78 4.830 -0.189 -6.912 1.00 0.00 C ATOM 1038 C CYS A 78 5.625 0.213 -8.151 1.00 0.00 C ATOM 1039 O CYS A 78 6.837 0.005 -8.217 1.00 0.00 O ATOM 1040 CB CYS A 78 5.220 0.701 -5.731 1.00 0.00 C ATOM 1041 SG CYS A 78 6.993 0.719 -5.374 1.00 0.00 S ATOM 0 H CYS A 78 5.851 -1.760 -5.971 1.00 0.00 H new ATOM 0 HA CYS A 78 3.769 -0.055 -7.124 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.891 1.720 -5.934 1.00 0.00 H new ATOM 0 HB3 CYS A 78 4.685 0.364 -4.843 1.00 0.00 H new ATOM 0 HG CYS A 78 7.654 0.376 -6.440 1.00 0.00 H new ATOM 1047 N SER A 79 4.934 0.787 -9.130 1.00 0.00 N ATOM 1048 CA SER A 79 5.575 1.213 -10.369 1.00 0.00 C ATOM 1049 C SER A 79 5.056 2.579 -10.807 1.00 0.00 C ATOM 1050 O SER A 79 3.900 2.924 -10.564 1.00 0.00 O ATOM 1051 CB SER A 79 5.329 0.184 -11.474 1.00 0.00 C ATOM 1052 OG SER A 79 6.248 0.351 -12.541 1.00 0.00 O ATOM 0 H SER A 79 3.931 0.968 -9.090 1.00 0.00 H new ATOM 0 HA SER A 79 6.647 1.292 -10.187 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.421 -0.822 -11.065 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.310 0.284 -11.848 1.00 0.00 H new ATOM 0 HG SER A 79 6.071 -0.320 -13.233 1.00 0.00 H new ATOM 1058 N ASP A 80 5.921 3.353 -11.454 1.00 0.00 N ATOM 1059 CA ASP A 80 5.552 4.682 -11.927 1.00 0.00 C ATOM 1060 C ASP A 80 5.177 4.648 -13.406 1.00 0.00 C ATOM 1061 O ASP A 80 5.615 3.768 -14.146 1.00 0.00 O ATOM 1062 CB ASP A 80 6.702 5.665 -11.702 1.00 0.00 C ATOM 1063 CG ASP A 80 7.039 5.836 -10.234 1.00 0.00 C ATOM 1064 OD1 ASP A 80 6.127 6.176 -9.451 1.00 0.00 O ATOM 1065 OD2 ASP A 80 8.214 5.628 -9.867 1.00 0.00 O ATOM 0 H ASP A 80 6.882 3.083 -11.663 1.00 0.00 H new ATOM 0 HA ASP A 80 4.684 5.015 -11.358 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.585 5.315 -12.236 1.00 0.00 H new ATOM 0 HB3 ASP A 80 6.436 6.633 -12.126 1.00 0.00 H new ATOM 1070 N ASN A 81 4.364 5.611 -13.828 1.00 0.00 N ATOM 1071 CA ASN A 81 3.929 5.690 -15.217 1.00 0.00 C ATOM 1072 C ASN A 81 4.677 6.794 -15.959 1.00 0.00 C ATOM 1073 O ASN A 81 5.180 6.584 -17.062 1.00 0.00 O ATOM 1074 CB ASN A 81 2.422 5.942 -15.288 1.00 0.00 C ATOM 1075 CG ASN A 81 1.620 4.842 -14.621 1.00 0.00 C ATOM 1076 OD1 ASN A 81 0.790 5.218 -13.654 1.00 0.00 O flip ATOM 1077 ND2 ASN A 81 1.744 3.668 -14.971 1.00 0.00 N flip ATOM 0 H ASN A 81 3.993 6.347 -13.228 1.00 0.00 H new ATOM 0 HA ASN A 81 4.154 4.737 -15.697 1.00 0.00 H new ATOM 0 HB2 ASN A 81 2.193 6.895 -14.811 1.00 0.00 H new ATOM 0 HB3 ASN A 81 2.119 6.027 -16.332 1.00 0.00 H new ATOM 0 HD21 ASN A 81 2.394 3.425 -15.719 1.00 0.00 H new ATOM 0 HD22 ASN A 81 1.197 2.939 -14.513 1.00 0.00 H new ATOM 1084 N GLY A 82 4.745 7.971 -15.345 1.00 0.00 N ATOM 1085 CA GLY A 82 5.433 9.090 -15.961 1.00 0.00 C ATOM 1086 C GLY A 82 4.480 10.181 -16.408 1.00 0.00 C ATOM 1087 O GLY A 82 4.910 11.240 -16.867 1.00 0.00 O ATOM 0 H GLY A 82 4.336 8.169 -14.432 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.150 9.506 -15.253 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.002 8.734 -16.820 1.00 0.00 H new ATOM 1091 N ASP A 83 3.184 9.924 -16.274 1.00 0.00 N ATOM 1092 CA ASP A 83 2.167 10.892 -16.668 1.00 0.00 C ATOM 1093 C ASP A 83 1.592 11.603 -15.447 1.00 0.00 C ATOM 1094 O ASP A 83 0.688 12.428 -15.566 1.00 0.00 O ATOM 1095 CB ASP A 83 1.047 10.200 -17.446 1.00 0.00 C ATOM 1096 CG ASP A 83 1.576 9.288 -18.535 1.00 0.00 C ATOM 1097 OD1 ASP A 83 2.071 9.808 -19.557 1.00 0.00 O ATOM 1098 OD2 ASP A 83 1.496 8.053 -18.366 1.00 0.00 O ATOM 0 H ASP A 83 2.812 9.053 -15.895 1.00 0.00 H new ATOM 0 HA ASP A 83 2.638 11.636 -17.311 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.434 9.620 -16.756 1.00 0.00 H new ATOM 0 HB3 ASP A 83 0.398 10.954 -17.891 1.00 0.00 H new ATOM 1103 N GLY A 84 2.123 11.276 -14.273 1.00 0.00 N ATOM 1104 CA GLY A 84 1.649 11.891 -13.047 1.00 0.00 C ATOM 1105 C GLY A 84 0.801 10.949 -12.216 1.00 0.00 C ATOM 1106 O GLY A 84 0.154 11.367 -11.255 1.00 0.00 O ATOM 0 H GLY A 84 2.873 10.596 -14.149 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.503 12.222 -12.457 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.067 12.779 -13.291 1.00 0.00 H new ATOM 1110 N THR A 85 0.802 9.672 -12.586 1.00 0.00 N ATOM 1111 CA THR A 85 0.026 8.668 -11.869 1.00 0.00 C ATOM 1112 C THR A 85 0.915 7.533 -11.375 1.00 0.00 C ATOM 1113 O THR A 85 2.123 7.530 -11.616 1.00 0.00 O ATOM 1114 CB THR A 85 -1.089 8.083 -12.756 1.00 0.00 C ATOM 1115 OG1 THR A 85 -0.517 7.429 -13.894 1.00 0.00 O ATOM 1116 CG2 THR A 85 -2.043 9.174 -13.218 1.00 0.00 C ATOM 0 H THR A 85 1.332 9.309 -13.378 1.00 0.00 H new ATOM 0 HA THR A 85 -0.425 9.170 -11.013 1.00 0.00 H new ATOM 0 HB THR A 85 -1.650 7.359 -12.165 1.00 0.00 H new ATOM 0 HG1 THR A 85 -0.363 6.484 -13.685 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.821 8.736 -13.843 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.499 9.650 -12.350 1.00 0.00 H new ATOM 0 HG23 THR A 85 -1.493 9.919 -13.793 1.00 0.00 H new ATOM 1124 N CYS A 86 0.312 6.572 -10.685 1.00 0.00 N ATOM 1125 CA CYS A 86 1.051 5.431 -10.157 1.00 0.00 C ATOM 1126 C CYS A 86 0.189 4.172 -10.170 1.00 0.00 C ATOM 1127 O CYS A 86 -0.983 4.206 -9.793 1.00 0.00 O ATOM 1128 CB CYS A 86 1.530 5.721 -8.735 1.00 0.00 C ATOM 1129 SG CYS A 86 2.765 7.037 -8.626 1.00 0.00 S ATOM 0 H CYS A 86 -0.687 6.560 -10.478 1.00 0.00 H new ATOM 0 HA CYS A 86 1.917 5.263 -10.797 1.00 0.00 H new ATOM 0 HB2 CYS A 86 0.671 5.992 -8.122 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.949 4.808 -8.311 1.00 0.00 H new ATOM 0 HG CYS A 86 2.986 7.523 -9.811 1.00 0.00 H new ATOM 1135 N SER A 87 0.776 3.063 -10.607 1.00 0.00 N ATOM 1136 CA SER A 87 0.061 1.794 -10.674 1.00 0.00 C ATOM 1137 C SER A 87 0.705 0.758 -9.758 1.00 0.00 C ATOM 1138 O SER A 87 1.756 0.201 -10.074 1.00 0.00 O ATOM 1139 CB SER A 87 0.035 1.274 -12.113 1.00 0.00 C ATOM 1140 OG SER A 87 -1.074 1.795 -12.824 1.00 0.00 O ATOM 0 H SER A 87 1.746 3.017 -10.920 1.00 0.00 H new ATOM 0 HA SER A 87 -0.962 1.964 -10.338 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.959 1.552 -12.620 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.011 0.185 -12.109 1.00 0.00 H new ATOM 0 HG SER A 87 -1.067 1.449 -13.741 1.00 0.00 H new ATOM 1146 N VAL A 88 0.066 0.505 -8.620 1.00 0.00 N ATOM 1147 CA VAL A 88 0.575 -0.465 -7.657 1.00 0.00 C ATOM 1148 C VAL A 88 -0.224 -1.762 -7.709 1.00 0.00 C ATOM 1149 O VAL A 88 -1.417 -1.781 -7.407 1.00 0.00 O ATOM 1150 CB VAL A 88 0.533 0.094 -6.223 1.00 0.00 C ATOM 1151 CG1 VAL A 88 1.200 -0.871 -5.254 1.00 0.00 C ATOM 1152 CG2 VAL A 88 1.195 1.463 -6.165 1.00 0.00 C ATOM 0 H VAL A 88 -0.805 0.958 -8.342 1.00 0.00 H new ATOM 0 HA VAL A 88 1.611 -0.669 -7.930 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.510 0.207 -5.926 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.161 -0.459 -4.246 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.678 -1.828 -5.276 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.240 -1.019 -5.545 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.156 1.843 -5.144 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.235 1.378 -6.481 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.669 2.150 -6.828 1.00 0.00 H new ATOM 1162 N SER A 89 0.442 -2.846 -8.095 1.00 0.00 N ATOM 1163 CA SER A 89 -0.207 -4.148 -8.190 1.00 0.00 C ATOM 1164 C SER A 89 0.165 -5.028 -7.001 1.00 0.00 C ATOM 1165 O SER A 89 1.344 -5.240 -6.715 1.00 0.00 O ATOM 1166 CB SER A 89 0.184 -4.842 -9.496 1.00 0.00 C ATOM 1167 OG SER A 89 1.593 -4.921 -9.629 1.00 0.00 O ATOM 0 H SER A 89 1.430 -2.848 -8.347 1.00 0.00 H new ATOM 0 HA SER A 89 -1.286 -3.991 -8.180 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.244 -5.844 -9.521 1.00 0.00 H new ATOM 0 HB3 SER A 89 -0.234 -4.296 -10.341 1.00 0.00 H new ATOM 0 HG SER A 89 1.817 -5.370 -10.471 1.00 0.00 H new ATOM 1173 N TYR A 90 -0.849 -5.539 -6.311 1.00 0.00 N ATOM 1174 CA TYR A 90 -0.630 -6.395 -5.151 1.00 0.00 C ATOM 1175 C TYR A 90 -1.183 -7.796 -5.395 1.00 0.00 C ATOM 1176 O TYR A 90 -2.142 -7.975 -6.148 1.00 0.00 O ATOM 1177 CB TYR A 90 -1.284 -5.785 -3.910 1.00 0.00 C ATOM 1178 CG TYR A 90 -2.795 -5.795 -3.955 1.00 0.00 C ATOM 1179 CD1 TYR A 90 -3.497 -4.773 -4.582 1.00 0.00 C ATOM 1180 CD2 TYR A 90 -3.520 -6.825 -3.370 1.00 0.00 C ATOM 1181 CE1 TYR A 90 -4.878 -4.778 -4.626 1.00 0.00 C ATOM 1182 CE2 TYR A 90 -4.901 -6.839 -3.410 1.00 0.00 C ATOM 1183 CZ TYR A 90 -5.575 -5.813 -4.038 1.00 0.00 C ATOM 1184 OH TYR A 90 -6.951 -5.822 -4.078 1.00 0.00 O ATOM 0 H TYR A 90 -1.831 -5.375 -6.535 1.00 0.00 H new ATOM 0 HA TYR A 90 0.445 -6.472 -4.986 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.952 -6.333 -3.028 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -0.939 -4.757 -3.796 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.954 -3.961 -5.043 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.995 -7.629 -2.875 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.409 -3.976 -5.118 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -5.449 -7.649 -2.952 1.00 0.00 H new ATOM 0 HH TYR A 90 -7.280 -4.911 -4.231 1.00 0.00 H new ATOM 1194 N LEU A 91 -0.574 -8.786 -4.753 1.00 0.00 N ATOM 1195 CA LEU A 91 -1.005 -10.172 -4.898 1.00 0.00 C ATOM 1196 C LEU A 91 -1.345 -10.781 -3.541 1.00 0.00 C ATOM 1197 O LEU A 91 -0.467 -11.139 -2.756 1.00 0.00 O ATOM 1198 CB LEU A 91 0.087 -10.997 -5.581 1.00 0.00 C ATOM 1199 CG LEU A 91 0.008 -11.083 -7.106 1.00 0.00 C ATOM 1200 CD1 LEU A 91 1.392 -11.292 -7.701 1.00 0.00 C ATOM 1201 CD2 LEU A 91 -0.932 -12.203 -7.529 1.00 0.00 C ATOM 0 H LEU A 91 0.220 -8.655 -4.127 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.902 -10.185 -5.517 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.055 -10.576 -5.310 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.056 -12.009 -5.178 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.389 -10.141 -7.484 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.316 -11.351 -8.787 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.036 -10.456 -7.427 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.817 -12.219 -7.316 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.976 -12.250 -8.617 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.565 -13.153 -7.140 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.929 -12.010 -7.133 1.00 0.00 H new ATOM 1213 N PRO A 92 -2.650 -10.905 -3.258 1.00 0.00 N ATOM 1214 CA PRO A 92 -3.136 -11.473 -1.997 1.00 0.00 C ATOM 1215 C PRO A 92 -2.873 -12.972 -1.898 1.00 0.00 C ATOM 1216 O PRO A 92 -2.467 -13.608 -2.871 1.00 0.00 O ATOM 1217 CB PRO A 92 -4.641 -11.197 -2.041 1.00 0.00 C ATOM 1218 CG PRO A 92 -4.966 -11.095 -3.491 1.00 0.00 C ATOM 1219 CD PRO A 92 -3.752 -10.499 -4.147 1.00 0.00 C ATOM 0 HA PRO A 92 -2.634 -11.038 -1.133 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.205 -11.999 -1.565 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.890 -10.276 -1.514 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.194 -12.075 -3.910 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.843 -10.468 -3.651 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -3.614 -10.881 -5.159 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.828 -9.414 -4.223 1.00 0.00 H new ATOM 1227 N THR A 93 -3.107 -13.532 -0.715 1.00 0.00 N ATOM 1228 CA THR A 93 -2.894 -14.956 -0.488 1.00 0.00 C ATOM 1229 C THR A 93 -4.211 -15.671 -0.207 1.00 0.00 C ATOM 1230 O THR A 93 -4.478 -16.741 -0.753 1.00 0.00 O ATOM 1231 CB THR A 93 -1.929 -15.200 0.688 1.00 0.00 C ATOM 1232 OG1 THR A 93 -2.541 -14.790 1.916 1.00 0.00 O ATOM 1233 CG2 THR A 93 -0.627 -14.440 0.485 1.00 0.00 C ATOM 0 H THR A 93 -3.444 -13.021 0.101 1.00 0.00 H new ATOM 0 HA THR A 93 -2.452 -15.358 -1.400 1.00 0.00 H new ATOM 0 HB THR A 93 -1.706 -16.266 0.732 1.00 0.00 H new ATOM 0 HG1 THR A 93 -1.848 -14.639 2.592 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.039 -14.627 1.327 1.00 0.00 H new ATOM 0 HG22 THR A 93 -0.150 -14.775 -0.436 1.00 0.00 H new ATOM 0 HG23 THR A 93 -0.836 -13.372 0.418 1.00 0.00 H new ATOM 1241 N LYS A 94 -5.032 -15.072 0.649 1.00 0.00 N ATOM 1242 CA LYS A 94 -6.324 -15.650 1.002 1.00 0.00 C ATOM 1243 C LYS A 94 -7.437 -14.616 0.868 1.00 0.00 C ATOM 1244 O LYS A 94 -7.223 -13.413 1.021 1.00 0.00 O ATOM 1245 CB LYS A 94 -6.288 -16.193 2.432 1.00 0.00 C ATOM 1246 CG LYS A 94 -6.546 -15.136 3.492 1.00 0.00 C ATOM 1247 CD LYS A 94 -6.209 -15.647 4.883 1.00 0.00 C ATOM 1248 CE LYS A 94 -7.004 -14.914 5.953 1.00 0.00 C ATOM 1249 NZ LYS A 94 -6.696 -15.424 7.318 1.00 0.00 N ATOM 0 H LYS A 94 -4.826 -14.186 1.111 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.528 -16.470 0.313 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.032 -16.983 2.530 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -5.314 -16.648 2.614 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.951 -14.249 3.275 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -7.593 -14.833 3.458 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.418 -16.715 4.940 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.143 -15.521 5.070 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.782 -13.848 5.905 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -8.070 -15.027 5.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.257 -14.900 8.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.932 -16.435 7.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.684 -15.293 7.517 1.00 0.00 H new ATOM 1263 N PRO A 95 -8.656 -15.093 0.576 1.00 0.00 N ATOM 1264 CA PRO A 95 -9.828 -14.227 0.417 1.00 0.00 C ATOM 1265 C PRO A 95 -10.278 -13.611 1.738 1.00 0.00 C ATOM 1266 O PRO A 95 -10.785 -14.306 2.617 1.00 0.00 O ATOM 1267 CB PRO A 95 -10.901 -15.176 -0.123 1.00 0.00 C ATOM 1268 CG PRO A 95 -10.489 -16.525 0.356 1.00 0.00 C ATOM 1269 CD PRO A 95 -8.985 -16.515 0.379 1.00 0.00 C ATOM 0 HA PRO A 95 -9.622 -13.379 -0.236 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.890 -14.909 0.249 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -10.950 -15.140 -1.211 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.893 -16.727 1.348 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.864 -17.306 -0.306 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.591 -17.134 1.185 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -8.566 -16.899 -0.551 1.00 0.00 H new ATOM 1277 N GLY A 96 -10.089 -12.302 1.870 1.00 0.00 N ATOM 1278 CA GLY A 96 -10.481 -11.615 3.087 1.00 0.00 C ATOM 1279 C GLY A 96 -10.726 -10.136 2.864 1.00 0.00 C ATOM 1280 O GLY A 96 -11.650 -9.755 2.147 1.00 0.00 O ATOM 0 H GLY A 96 -9.672 -11.705 1.156 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -11.386 -12.074 3.484 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -9.702 -11.742 3.839 1.00 0.00 H new ATOM 1284 N GLU A 97 -9.897 -9.300 3.482 1.00 0.00 N ATOM 1285 CA GLU A 97 -10.031 -7.854 3.349 1.00 0.00 C ATOM 1286 C GLU A 97 -8.674 -7.168 3.478 1.00 0.00 C ATOM 1287 O GLU A 97 -8.028 -7.237 4.524 1.00 0.00 O ATOM 1288 CB GLU A 97 -10.993 -7.310 4.408 1.00 0.00 C ATOM 1289 CG GLU A 97 -12.401 -7.869 4.296 1.00 0.00 C ATOM 1290 CD GLU A 97 -12.587 -9.145 5.094 1.00 0.00 C ATOM 1291 OE1 GLU A 97 -11.869 -9.325 6.099 1.00 0.00 O ATOM 1292 OE2 GLU A 97 -13.450 -9.963 4.713 1.00 0.00 O ATOM 0 H GLU A 97 -9.126 -9.599 4.079 1.00 0.00 H new ATOM 0 HA GLU A 97 -10.434 -7.641 2.359 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -10.598 -7.539 5.398 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -11.035 -6.224 4.325 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -13.114 -7.121 4.643 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -12.628 -8.064 3.248 1.00 0.00 H new ATOM 1299 N TYR A 98 -8.249 -6.506 2.408 1.00 0.00 N ATOM 1300 CA TYR A 98 -6.968 -5.810 2.399 1.00 0.00 C ATOM 1301 C TYR A 98 -7.170 -4.297 2.412 1.00 0.00 C ATOM 1302 O TYR A 98 -7.813 -3.737 1.524 1.00 0.00 O ATOM 1303 CB TYR A 98 -6.152 -6.215 1.170 1.00 0.00 C ATOM 1304 CG TYR A 98 -5.891 -7.702 1.080 1.00 0.00 C ATOM 1305 CD1 TYR A 98 -6.789 -8.547 0.439 1.00 0.00 C ATOM 1306 CD2 TYR A 98 -4.748 -8.261 1.637 1.00 0.00 C ATOM 1307 CE1 TYR A 98 -6.555 -9.906 0.355 1.00 0.00 C ATOM 1308 CE2 TYR A 98 -4.505 -9.619 1.556 1.00 0.00 C ATOM 1309 CZ TYR A 98 -5.412 -10.437 0.915 1.00 0.00 C ATOM 1310 OH TYR A 98 -5.174 -11.790 0.834 1.00 0.00 O ATOM 0 H TYR A 98 -8.773 -6.437 1.536 1.00 0.00 H new ATOM 0 HA TYR A 98 -6.423 -6.094 3.299 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -6.679 -5.892 0.272 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -5.198 -5.688 1.187 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -7.685 -8.134 -0.001 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -4.037 -7.624 2.142 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -7.263 -10.549 -0.146 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -3.610 -10.037 1.992 1.00 0.00 H new ATOM 0 HH TYR A 98 -5.966 -12.280 1.138 1.00 0.00 H new ATOM 1320 N PHE A 99 -6.617 -3.642 3.427 1.00 0.00 N ATOM 1321 CA PHE A 99 -6.735 -2.195 3.559 1.00 0.00 C ATOM 1322 C PHE A 99 -5.463 -1.499 3.083 1.00 0.00 C ATOM 1323 O PHE A 99 -4.426 -1.556 3.745 1.00 0.00 O ATOM 1324 CB PHE A 99 -7.024 -1.816 5.013 1.00 0.00 C ATOM 1325 CG PHE A 99 -8.426 -2.133 5.448 1.00 0.00 C ATOM 1326 CD1 PHE A 99 -8.810 -3.441 5.693 1.00 0.00 C ATOM 1327 CD2 PHE A 99 -9.360 -1.123 5.612 1.00 0.00 C ATOM 1328 CE1 PHE A 99 -10.100 -3.736 6.092 1.00 0.00 C ATOM 1329 CE2 PHE A 99 -10.651 -1.411 6.012 1.00 0.00 C ATOM 1330 CZ PHE A 99 -11.021 -2.720 6.253 1.00 0.00 C ATOM 0 H PHE A 99 -6.082 -4.091 4.171 1.00 0.00 H new ATOM 0 HA PHE A 99 -7.564 -1.865 2.933 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.323 -2.340 5.663 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -6.844 -0.749 5.145 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -8.093 -4.240 5.571 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -9.076 -0.098 5.425 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -10.387 -4.760 6.278 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -11.369 -0.614 6.136 1.00 0.00 H new ATOM 0 HZ PHE A 99 -12.029 -2.948 6.567 1.00 0.00 H new ATOM 1340 N VAL A 100 -5.550 -0.844 1.930 1.00 0.00 N ATOM 1341 CA VAL A 100 -4.407 -0.136 1.365 1.00 0.00 C ATOM 1342 C VAL A 100 -4.210 1.217 2.038 1.00 0.00 C ATOM 1343 O VAL A 100 -4.955 2.163 1.783 1.00 0.00 O ATOM 1344 CB VAL A 100 -4.573 0.076 -0.152 1.00 0.00 C ATOM 1345 CG1 VAL A 100 -3.360 0.792 -0.726 1.00 0.00 C ATOM 1346 CG2 VAL A 100 -4.800 -1.254 -0.854 1.00 0.00 C ATOM 0 H VAL A 100 -6.400 -0.789 1.369 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.530 -0.758 1.544 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.449 0.703 -0.321 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.495 0.933 -1.798 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.248 1.763 -0.243 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.466 0.194 -0.548 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.915 -1.085 -1.925 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -3.946 -1.908 -0.680 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.702 -1.723 -0.462 1.00 0.00 H new ATOM 1356 N ASN A 101 -3.202 1.302 2.900 1.00 0.00 N ATOM 1357 CA ASN A 101 -2.907 2.541 3.611 1.00 0.00 C ATOM 1358 C ASN A 101 -2.127 3.505 2.723 1.00 0.00 C ATOM 1359 O ASN A 101 -0.943 3.299 2.455 1.00 0.00 O ATOM 1360 CB ASN A 101 -2.111 2.245 4.884 1.00 0.00 C ATOM 1361 CG ASN A 101 -2.905 1.429 5.886 1.00 0.00 C ATOM 1362 OD1 ASN A 101 -3.043 0.135 5.618 1.00 0.00 O flip ATOM 1363 ND2 ASN A 101 -3.387 1.955 6.888 1.00 0.00 N flip ATOM 0 H ASN A 101 -2.576 0.528 3.123 1.00 0.00 H new ATOM 0 HA ASN A 101 -3.853 3.010 3.882 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -1.200 1.707 4.623 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -1.806 3.184 5.345 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -3.256 2.953 7.053 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -3.918 1.393 7.554 1.00 0.00 H new ATOM 1370 N ILE A 102 -2.799 4.558 2.270 1.00 0.00 N ATOM 1371 CA ILE A 102 -2.169 5.555 1.413 1.00 0.00 C ATOM 1372 C ILE A 102 -1.953 6.866 2.162 1.00 0.00 C ATOM 1373 O ILE A 102 -2.909 7.562 2.507 1.00 0.00 O ATOM 1374 CB ILE A 102 -3.012 5.830 0.154 1.00 0.00 C ATOM 1375 CG1 ILE A 102 -3.332 4.520 -0.568 1.00 0.00 C ATOM 1376 CG2 ILE A 102 -2.282 6.789 -0.774 1.00 0.00 C ATOM 1377 CD1 ILE A 102 -4.458 4.641 -1.571 1.00 0.00 C ATOM 0 H ILE A 102 -3.779 4.743 2.482 1.00 0.00 H new ATOM 0 HA ILE A 102 -1.204 5.147 1.112 1.00 0.00 H new ATOM 0 HB ILE A 102 -3.950 6.294 0.457 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.436 4.169 -1.080 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -3.594 3.762 0.171 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -2.891 6.973 -1.659 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -2.101 7.731 -0.255 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -1.330 6.351 -1.073 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -4.629 3.674 -2.044 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -5.366 4.962 -1.061 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -4.191 5.375 -2.332 1.00 0.00 H new ATOM 1389 N LEU A 103 -0.690 7.197 2.411 1.00 0.00 N ATOM 1390 CA LEU A 103 -0.347 8.426 3.118 1.00 0.00 C ATOM 1391 C LEU A 103 0.769 9.176 2.397 1.00 0.00 C ATOM 1392 O LEU A 103 1.783 8.588 2.020 1.00 0.00 O ATOM 1393 CB LEU A 103 0.080 8.110 4.553 1.00 0.00 C ATOM 1394 CG LEU A 103 0.732 6.745 4.773 1.00 0.00 C ATOM 1395 CD1 LEU A 103 2.229 6.820 4.513 1.00 0.00 C ATOM 1396 CD2 LEU A 103 0.459 6.245 6.184 1.00 0.00 C ATOM 0 H LEU A 103 0.113 6.632 2.134 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.232 9.062 3.140 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.777 8.881 4.882 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.798 8.179 5.196 1.00 0.00 H new ATOM 0 HG LEU A 103 0.296 6.038 4.067 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.676 5.839 4.675 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.404 7.134 3.484 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.681 7.541 5.194 1.00 0.00 H new ATOM 0 HD21 LEU A 103 0.931 5.272 6.323 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.867 6.952 6.906 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.616 6.152 6.335 1.00 0.00 H new ATOM 1408 N PHE A 104 0.575 10.477 2.211 1.00 0.00 N ATOM 1409 CA PHE A 104 1.566 11.308 1.536 1.00 0.00 C ATOM 1410 C PHE A 104 2.333 12.163 2.540 1.00 0.00 C ATOM 1411 O PHE A 104 1.777 13.080 3.142 1.00 0.00 O ATOM 1412 CB PHE A 104 0.888 12.205 0.498 1.00 0.00 C ATOM 1413 CG PHE A 104 1.781 12.568 -0.654 1.00 0.00 C ATOM 1414 CD1 PHE A 104 2.477 11.589 -1.344 1.00 0.00 C ATOM 1415 CD2 PHE A 104 1.924 13.889 -1.047 1.00 0.00 C ATOM 1416 CE1 PHE A 104 3.299 11.920 -2.405 1.00 0.00 C ATOM 1417 CE2 PHE A 104 2.744 14.226 -2.107 1.00 0.00 C ATOM 1418 CZ PHE A 104 3.433 13.241 -2.786 1.00 0.00 C ATOM 0 H PHE A 104 -0.258 10.979 2.518 1.00 0.00 H new ATOM 0 HA PHE A 104 2.273 10.650 1.031 1.00 0.00 H new ATOM 0 HB2 PHE A 104 0.002 11.699 0.115 1.00 0.00 H new ATOM 0 HB3 PHE A 104 0.548 13.118 0.986 1.00 0.00 H new ATOM 0 HD1 PHE A 104 2.376 10.555 -1.050 1.00 0.00 H new ATOM 0 HD2 PHE A 104 1.389 14.664 -0.519 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.836 11.147 -2.935 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.846 15.259 -2.404 1.00 0.00 H new ATOM 0 HZ PHE A 104 4.076 13.503 -3.614 1.00 0.00 H new ATOM 1428 N GLU A 105 3.615 11.854 2.714 1.00 0.00 N ATOM 1429 CA GLU A 105 4.458 12.594 3.646 1.00 0.00 C ATOM 1430 C GLU A 105 3.908 12.502 5.067 1.00 0.00 C ATOM 1431 O GLU A 105 3.813 13.506 5.772 1.00 0.00 O ATOM 1432 CB GLU A 105 4.562 14.060 3.221 1.00 0.00 C ATOM 1433 CG GLU A 105 5.321 14.264 1.921 1.00 0.00 C ATOM 1434 CD GLU A 105 6.038 15.599 1.867 1.00 0.00 C ATOM 1435 OE1 GLU A 105 5.724 16.476 2.699 1.00 0.00 O ATOM 1436 OE2 GLU A 105 6.914 15.766 0.993 1.00 0.00 O ATOM 0 H GLU A 105 4.091 11.098 2.223 1.00 0.00 H new ATOM 0 HA GLU A 105 5.452 12.148 3.630 1.00 0.00 H new ATOM 0 HB2 GLU A 105 3.558 14.471 3.114 1.00 0.00 H new ATOM 0 HB3 GLU A 105 5.055 14.625 4.012 1.00 0.00 H new ATOM 0 HG2 GLU A 105 6.047 13.461 1.799 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.626 14.195 1.084 1.00 0.00 H new ATOM 1443 N GLU A 106 3.548 11.291 5.479 1.00 0.00 N ATOM 1444 CA GLU A 106 3.007 11.069 6.815 1.00 0.00 C ATOM 1445 C GLU A 106 1.628 11.706 6.956 1.00 0.00 C ATOM 1446 O GLU A 106 1.235 12.128 8.043 1.00 0.00 O ATOM 1447 CB GLU A 106 3.954 11.637 7.874 1.00 0.00 C ATOM 1448 CG GLU A 106 5.418 11.332 7.608 1.00 0.00 C ATOM 1449 CD GLU A 106 6.291 11.549 8.828 1.00 0.00 C ATOM 1450 OE1 GLU A 106 5.865 11.168 9.938 1.00 0.00 O ATOM 1451 OE2 GLU A 106 7.400 12.102 8.673 1.00 0.00 O ATOM 0 H GLU A 106 3.621 10.449 4.908 1.00 0.00 H new ATOM 0 HA GLU A 106 2.909 9.994 6.965 1.00 0.00 H new ATOM 0 HB2 GLU A 106 3.820 12.718 7.927 1.00 0.00 H new ATOM 0 HB3 GLU A 106 3.679 11.234 8.849 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.515 10.298 7.276 1.00 0.00 H new ATOM 0 HG3 GLU A 106 5.775 11.963 6.794 1.00 0.00 H new ATOM 1458 N VAL A 107 0.897 11.771 5.848 1.00 0.00 N ATOM 1459 CA VAL A 107 -0.439 12.356 5.846 1.00 0.00 C ATOM 1460 C VAL A 107 -1.437 11.444 5.142 1.00 0.00 C ATOM 1461 O VAL A 107 -1.397 11.287 3.921 1.00 0.00 O ATOM 1462 CB VAL A 107 -0.448 13.735 5.161 1.00 0.00 C ATOM 1463 CG1 VAL A 107 -1.745 14.472 5.458 1.00 0.00 C ATOM 1464 CG2 VAL A 107 0.754 14.557 5.602 1.00 0.00 C ATOM 0 H VAL A 107 1.207 11.426 4.940 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.733 12.476 6.889 1.00 0.00 H new ATOM 0 HB VAL A 107 -0.382 13.585 4.083 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -1.732 15.444 4.965 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.588 13.889 5.088 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.846 14.612 6.534 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.731 15.528 5.108 1.00 0.00 H new ATOM 0 HG22 VAL A 107 0.722 14.698 6.682 1.00 0.00 H new ATOM 0 HG23 VAL A 107 1.671 14.034 5.332 1.00 0.00 H new ATOM 1474 N HIS A 108 -2.334 10.845 5.919 1.00 0.00 N ATOM 1475 CA HIS A 108 -3.345 9.949 5.369 1.00 0.00 C ATOM 1476 C HIS A 108 -4.260 10.692 4.400 1.00 0.00 C ATOM 1477 O HIS A 108 -4.926 11.657 4.776 1.00 0.00 O ATOM 1478 CB HIS A 108 -4.172 9.327 6.495 1.00 0.00 C ATOM 1479 CG HIS A 108 -3.622 8.027 6.995 1.00 0.00 C ATOM 1480 ND1 HIS A 108 -4.223 6.811 6.746 1.00 0.00 N ATOM 1481 CD2 HIS A 108 -2.519 7.757 7.731 1.00 0.00 C ATOM 1482 CE1 HIS A 108 -3.514 5.849 7.310 1.00 0.00 C ATOM 1483 NE2 HIS A 108 -2.474 6.397 7.913 1.00 0.00 N ATOM 0 H HIS A 108 -2.381 10.964 6.931 1.00 0.00 H new ATOM 0 HA HIS A 108 -2.834 9.156 4.823 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -4.228 10.031 7.325 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -5.191 9.169 6.142 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -1.807 8.477 8.105 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -3.745 4.794 7.283 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -1.754 5.892 8.430 1.00 0.00 H new ATOM 1492 N ILE A 109 -4.288 10.235 3.153 1.00 0.00 N ATOM 1493 CA ILE A 109 -5.121 10.856 2.131 1.00 0.00 C ATOM 1494 C ILE A 109 -6.602 10.655 2.432 1.00 0.00 C ATOM 1495 O ILE A 109 -7.006 9.678 3.063 1.00 0.00 O ATOM 1496 CB ILE A 109 -4.812 10.290 0.732 1.00 0.00 C ATOM 1497 CG1 ILE A 109 -5.255 8.829 0.640 1.00 0.00 C ATOM 1498 CG2 ILE A 109 -3.328 10.420 0.424 1.00 0.00 C ATOM 1499 CD1 ILE A 109 -5.513 8.363 -0.776 1.00 0.00 C ATOM 0 H ILE A 109 -3.743 9.437 2.826 1.00 0.00 H new ATOM 0 HA ILE A 109 -4.892 11.922 2.142 1.00 0.00 H new ATOM 0 HB ILE A 109 -5.368 10.866 -0.008 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -4.488 8.197 1.088 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -6.163 8.695 1.229 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -3.125 10.016 -0.568 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.041 11.471 0.453 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -2.753 9.866 1.166 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -5.823 7.318 -0.764 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -6.301 8.971 -1.221 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -4.601 8.464 -1.364 1.00 0.00 H new ATOM 1511 N PRO A 110 -7.434 11.601 1.970 1.00 0.00 N ATOM 1512 CA PRO A 110 -8.884 11.549 2.176 1.00 0.00 C ATOM 1513 C PRO A 110 -9.545 10.435 1.370 1.00 0.00 C ATOM 1514 O PRO A 110 -10.075 10.672 0.286 1.00 0.00 O ATOM 1515 CB PRO A 110 -9.361 12.918 1.687 1.00 0.00 C ATOM 1516 CG PRO A 110 -8.324 13.354 0.710 1.00 0.00 C ATOM 1517 CD PRO A 110 -7.022 12.793 1.210 1.00 0.00 C ATOM 0 HA PRO A 110 -9.141 11.339 3.214 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -10.343 12.851 1.219 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.449 13.624 2.512 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -8.550 12.984 -0.290 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -8.281 14.441 0.645 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.354 12.535 0.388 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.492 13.508 1.840 1.00 0.00 H new ATOM 1525 N GLY A 111 -9.509 9.220 1.909 1.00 0.00 N ATOM 1526 CA GLY A 111 -10.108 8.088 1.226 1.00 0.00 C ATOM 1527 C GLY A 111 -9.454 6.773 1.600 1.00 0.00 C ATOM 1528 O GLY A 111 -9.987 5.702 1.309 1.00 0.00 O ATOM 0 H GLY A 111 -9.076 9.000 2.806 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -11.170 8.043 1.466 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -10.031 8.235 0.149 1.00 0.00 H new ATOM 1532 N SER A 112 -8.295 6.853 2.245 1.00 0.00 N ATOM 1533 CA SER A 112 -7.564 5.659 2.654 1.00 0.00 C ATOM 1534 C SER A 112 -7.718 5.415 4.152 1.00 0.00 C ATOM 1535 O SER A 112 -7.974 6.331 4.934 1.00 0.00 O ATOM 1536 CB SER A 112 -6.083 5.795 2.297 1.00 0.00 C ATOM 1537 OG SER A 112 -5.345 6.336 3.379 1.00 0.00 O ATOM 0 H SER A 112 -7.842 7.732 2.496 1.00 0.00 H new ATOM 0 HA SER A 112 -7.982 4.806 2.120 1.00 0.00 H new ATOM 0 HB2 SER A 112 -5.679 4.819 2.029 1.00 0.00 H new ATOM 0 HB3 SER A 112 -5.974 6.436 1.422 1.00 0.00 H new ATOM 0 HG SER A 112 -4.528 6.758 3.039 1.00 0.00 H new ATOM 1543 N PRO A 113 -7.558 4.148 4.564 1.00 0.00 N ATOM 1544 CA PRO A 113 -7.254 3.049 3.643 1.00 0.00 C ATOM 1545 C PRO A 113 -8.432 2.709 2.737 1.00 0.00 C ATOM 1546 O PRO A 113 -9.532 3.234 2.909 1.00 0.00 O ATOM 1547 CB PRO A 113 -6.944 1.878 4.579 1.00 0.00 C ATOM 1548 CG PRO A 113 -7.678 2.193 5.836 1.00 0.00 C ATOM 1549 CD PRO A 113 -7.663 3.692 5.960 1.00 0.00 C ATOM 0 HA PRO A 113 -6.438 3.299 2.965 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -7.277 0.932 4.153 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -5.873 1.787 4.758 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -8.700 1.815 5.797 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -7.198 1.725 6.696 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -8.569 4.065 6.438 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -6.821 4.037 6.560 1.00 0.00 H new ATOM 1557 N PHE A 114 -8.194 1.828 1.771 1.00 0.00 N ATOM 1558 CA PHE A 114 -9.237 1.418 0.837 1.00 0.00 C ATOM 1559 C PHE A 114 -9.519 -0.077 0.959 1.00 0.00 C ATOM 1560 O PHE A 114 -8.832 -0.901 0.355 1.00 0.00 O ATOM 1561 CB PHE A 114 -8.826 1.756 -0.598 1.00 0.00 C ATOM 1562 CG PHE A 114 -8.939 3.217 -0.925 1.00 0.00 C ATOM 1563 CD1 PHE A 114 -7.976 4.114 -0.491 1.00 0.00 C ATOM 1564 CD2 PHE A 114 -10.007 3.694 -1.667 1.00 0.00 C ATOM 1565 CE1 PHE A 114 -8.076 5.460 -0.791 1.00 0.00 C ATOM 1566 CE2 PHE A 114 -10.113 5.039 -1.970 1.00 0.00 C ATOM 1567 CZ PHE A 114 -9.147 5.923 -1.530 1.00 0.00 C ATOM 0 H PHE A 114 -7.289 1.384 1.614 1.00 0.00 H new ATOM 0 HA PHE A 114 -10.148 1.963 1.085 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -7.797 1.435 -0.758 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -9.449 1.188 -1.289 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -7.137 3.757 0.089 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -10.766 3.008 -2.013 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -7.318 6.148 -0.448 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -10.950 5.398 -2.550 1.00 0.00 H new ATOM 0 HZ PHE A 114 -9.229 6.974 -1.763 1.00 0.00 H new ATOM 1577 N LYS A 115 -10.535 -0.418 1.744 1.00 0.00 N ATOM 1578 CA LYS A 115 -10.911 -1.813 1.946 1.00 0.00 C ATOM 1579 C LYS A 115 -11.299 -2.469 0.625 1.00 0.00 C ATOM 1580 O LYS A 115 -12.236 -2.033 -0.043 1.00 0.00 O ATOM 1581 CB LYS A 115 -12.073 -1.910 2.937 1.00 0.00 C ATOM 1582 CG LYS A 115 -12.618 -3.319 3.098 1.00 0.00 C ATOM 1583 CD LYS A 115 -13.720 -3.609 2.093 1.00 0.00 C ATOM 1584 CE LYS A 115 -14.842 -2.585 2.185 1.00 0.00 C ATOM 1585 NZ LYS A 115 -14.662 -1.476 1.209 1.00 0.00 N ATOM 0 H LYS A 115 -11.113 0.252 2.251 1.00 0.00 H new ATOM 0 HA LYS A 115 -10.049 -2.341 2.353 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -11.742 -1.544 3.909 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -12.878 -1.254 2.606 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -11.810 -4.039 2.971 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -13.004 -3.448 4.109 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -13.305 -3.606 1.085 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -14.121 -4.607 2.269 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -15.798 -3.076 2.004 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -14.880 -2.177 3.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -14.741 -0.564 1.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -13.723 -1.551 0.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -15.396 -1.537 0.475 1.00 0.00 H new ATOM 1599 N ALA A 116 -10.573 -3.518 0.255 1.00 0.00 N ATOM 1600 CA ALA A 116 -10.844 -4.236 -0.985 1.00 0.00 C ATOM 1601 C ALA A 116 -11.274 -5.672 -0.705 1.00 0.00 C ATOM 1602 O ALA A 116 -10.529 -6.447 -0.104 1.00 0.00 O ATOM 1603 CB ALA A 116 -9.617 -4.216 -1.885 1.00 0.00 C ATOM 0 H ALA A 116 -9.792 -3.890 0.796 1.00 0.00 H new ATOM 0 HA ALA A 116 -11.664 -3.732 -1.496 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -9.833 -4.756 -2.807 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -9.356 -3.184 -2.121 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -8.782 -4.694 -1.372 1.00 0.00 H new ATOM 1609 N ASP A 117 -12.479 -6.019 -1.143 1.00 0.00 N ATOM 1610 CA ASP A 117 -13.008 -7.363 -0.939 1.00 0.00 C ATOM 1611 C ASP A 117 -12.485 -8.320 -2.006 1.00 0.00 C ATOM 1612 O ASP A 117 -12.827 -8.201 -3.182 1.00 0.00 O ATOM 1613 CB ASP A 117 -14.537 -7.341 -0.963 1.00 0.00 C ATOM 1614 CG ASP A 117 -15.131 -6.960 0.379 1.00 0.00 C ATOM 1615 OD1 ASP A 117 -14.758 -7.588 1.392 1.00 0.00 O ATOM 1616 OD2 ASP A 117 -15.970 -6.036 0.417 1.00 0.00 O ATOM 0 H ASP A 117 -13.108 -5.389 -1.641 1.00 0.00 H new ATOM 0 HA ASP A 117 -12.672 -7.715 0.036 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -14.876 -6.634 -1.721 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -14.907 -8.324 -1.255 1.00 0.00 H new ATOM 1621 N ILE A 118 -11.653 -9.268 -1.586 1.00 0.00 N ATOM 1622 CA ILE A 118 -11.083 -10.245 -2.505 1.00 0.00 C ATOM 1623 C ILE A 118 -11.863 -11.554 -2.468 1.00 0.00 C ATOM 1624 O ILE A 118 -12.094 -12.121 -1.401 1.00 0.00 O ATOM 1625 CB ILE A 118 -9.606 -10.531 -2.176 1.00 0.00 C ATOM 1626 CG1 ILE A 118 -8.768 -9.263 -2.346 1.00 0.00 C ATOM 1627 CG2 ILE A 118 -9.073 -11.648 -3.062 1.00 0.00 C ATOM 1628 CD1 ILE A 118 -8.649 -8.805 -3.783 1.00 0.00 C ATOM 0 H ILE A 118 -11.359 -9.380 -0.616 1.00 0.00 H new ATOM 0 HA ILE A 118 -11.148 -9.815 -3.504 1.00 0.00 H new ATOM 0 HB ILE A 118 -9.536 -10.853 -1.137 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -9.211 -8.462 -1.754 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -7.770 -9.441 -1.946 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -8.028 -11.839 -2.818 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -9.656 -12.554 -2.896 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -9.153 -11.352 -4.108 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -8.041 -7.901 -3.828 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -8.178 -9.588 -4.377 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -9.642 -8.595 -4.181 1.00 0.00 H new ATOM 1640 N GLU A 119 -12.266 -12.030 -3.643 1.00 0.00 N ATOM 1641 CA GLU A 119 -13.020 -13.274 -3.745 1.00 0.00 C ATOM 1642 C GLU A 119 -12.149 -14.393 -4.308 1.00 0.00 C ATOM 1643 O GLU A 119 -11.075 -14.143 -4.855 1.00 0.00 O ATOM 1644 CB GLU A 119 -14.253 -13.078 -4.629 1.00 0.00 C ATOM 1645 CG GLU A 119 -15.275 -12.118 -4.044 1.00 0.00 C ATOM 1646 CD GLU A 119 -16.416 -11.827 -5.000 1.00 0.00 C ATOM 1647 OE1 GLU A 119 -17.279 -12.712 -5.179 1.00 0.00 O ATOM 1648 OE2 GLU A 119 -16.446 -10.716 -5.568 1.00 0.00 O ATOM 0 H GLU A 119 -12.083 -11.573 -4.536 1.00 0.00 H new ATOM 0 HA GLU A 119 -13.342 -13.557 -2.743 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -13.936 -12.708 -5.604 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -14.728 -14.045 -4.795 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -15.677 -12.538 -3.122 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -14.780 -11.183 -3.779 1.00 0.00 H new ATOM 1655 N MET A 120 -12.620 -15.628 -4.170 1.00 0.00 N ATOM 1656 CA MET A 120 -11.885 -16.786 -4.665 1.00 0.00 C ATOM 1657 C MET A 120 -12.169 -17.017 -6.146 1.00 0.00 C ATOM 1658 O MET A 120 -13.298 -16.877 -6.615 1.00 0.00 O ATOM 1659 CB MET A 120 -12.256 -18.035 -3.862 1.00 0.00 C ATOM 1660 CG MET A 120 -11.622 -18.079 -2.481 1.00 0.00 C ATOM 1661 SD MET A 120 -11.489 -19.756 -1.832 1.00 0.00 S ATOM 1662 CE MET A 120 -9.878 -19.690 -1.051 1.00 0.00 C ATOM 0 H MET A 120 -13.507 -15.853 -3.720 1.00 0.00 H new ATOM 0 HA MET A 120 -10.820 -16.588 -4.543 1.00 0.00 H new ATOM 0 HB2 MET A 120 -13.340 -18.081 -3.757 1.00 0.00 H new ATOM 0 HB3 MET A 120 -11.952 -18.920 -4.421 1.00 0.00 H new ATOM 0 HG2 MET A 120 -10.629 -17.631 -2.527 1.00 0.00 H new ATOM 0 HG3 MET A 120 -12.213 -17.473 -1.794 1.00 0.00 H new ATOM 0 HE1 MET A 120 -9.419 -20.678 -1.080 1.00 0.00 H new ATOM 0 HE2 MET A 120 -9.245 -18.980 -1.583 1.00 0.00 H new ATOM 0 HE3 MET A 120 -9.989 -19.372 -0.014 1.00 0.00 H new ATOM 1672 N PRO A 121 -11.121 -17.379 -6.901 1.00 0.00 N ATOM 1673 CA PRO A 121 -11.233 -17.638 -8.340 1.00 0.00 C ATOM 1674 C PRO A 121 -12.015 -18.912 -8.641 1.00 0.00 C ATOM 1675 O PRO A 121 -12.013 -19.855 -7.849 1.00 0.00 O ATOM 1676 CB PRO A 121 -9.777 -17.785 -8.788 1.00 0.00 C ATOM 1677 CG PRO A 121 -9.046 -18.223 -7.566 1.00 0.00 C ATOM 1678 CD PRO A 121 -9.746 -17.565 -6.408 1.00 0.00 C ATOM 0 HA PRO A 121 -11.774 -16.845 -8.856 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -9.682 -18.517 -9.590 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -9.383 -16.843 -9.168 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -9.065 -19.308 -7.468 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -7.998 -17.925 -7.610 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -9.720 -18.190 -5.515 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -9.281 -16.615 -6.145 1.00 0.00 H new