USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 833 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 32 THR OG1 : rot -110:sc= 0.951 USER MOD Set 1.2: A 95 LYS NZ :NH3+ -136:sc= 1.38 (180deg=-2.38!) USER MOD Set 2.1: A 28 LYS NZ :NH3+ 169:sc= 1.14 (180deg=0) USER MOD Set 2.2: A 89 THR OG1 : rot -34:sc= 1.34 USER MOD Set 3.1: A 47 THR OG1 : rot 180:sc= 0.0127 USER MOD Set 3.2: A 71 GLN : amide:sc= 0.297 K(o=0.31,f=-0.26) USER MOD Single : A 25 GLN : amide:sc= -0.243 K(o=-0.24,f=-0.75) USER MOD Single : A 29 LYS NZ :NH3+ 179:sc= 1.17 (180deg=1.1) USER MOD Single : A 38 THR OG1 : rot 52:sc= -2.08! USER MOD Single : A 39 LYS NZ :NH3+ -132:sc= -0.843 (180deg=-3.13!) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ -165:sc= -0.0655 (180deg=-0.34) USER MOD Single : A 45 LYS NZ :NH3+ 162:sc= -0.0414 (180deg=-0.32) USER MOD Single : A 49 HIS : no HE2:sc= 0.388 K(o=0.64,f=-4.4!) USER MOD Single : A 50 TYR OH : rot 171:sc= -0.252 USER MOD Single : A 58 LYS NZ :NH3+ -111:sc= 0.406 (180deg=-1.51!) USER MOD Single : A 59 GLN : amide:sc= 0.645 K(o=0.65,f=0) USER MOD Single : A 62 SER OG : rot 52:sc= 0.0411 USER MOD Single : A 63 SER OG : rot -1:sc= 0.541 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 167:sc=-0.00885 (180deg=-0.17) USER MOD Single : A 85 GLN : amide:sc= 0.317 X(o=0.32,f=0) USER MOD Single : A 90 MET CE :methyl 170:sc= -2.43! (180deg=-2.65!) USER MOD Single : A 91 THR OG1 : rot -140:sc= 0 USER MOD Single : A 99 THR OG1 : rot -160:sc= -0.371 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 345 N GLN A 25 -17.941 -0.479 -34.403 1.00 52.11 N ATOM 346 CA GLN A 25 -16.648 -0.209 -33.784 1.00 33.31 C ATOM 347 C GLN A 25 -15.729 0.513 -34.756 1.00 11.54 C ATOM 348 O GLN A 25 -15.968 0.520 -35.965 1.00 33.33 O ATOM 349 CB GLN A 25 -15.988 -1.517 -33.316 1.00 24.32 C ATOM 350 CG GLN A 25 -16.641 -2.129 -32.085 1.00 62.34 C ATOM 351 CD GLN A 25 -16.564 -1.216 -30.873 1.00 50.24 C ATOM 352 OE1 GLN A 25 -15.619 -0.441 -30.720 1.00 54.31 O ATOM 353 NE2 GLN A 25 -17.564 -1.287 -30.015 1.00 0.52 N ATOM 0 HA GLN A 25 -16.816 0.431 -32.917 1.00 33.31 H new ATOM 0 HB2 GLN A 25 -16.020 -2.241 -34.130 1.00 24.32 H new ATOM 0 HB3 GLN A 25 -14.937 -1.326 -33.101 1.00 24.32 H new ATOM 0 HG2 GLN A 25 -17.686 -2.350 -32.304 1.00 62.34 H new ATOM 0 HG3 GLN A 25 -16.156 -3.077 -31.853 1.00 62.34 H new ATOM 0 HE21 GLN A 25 -18.329 -1.942 -30.177 1.00 0.52 H new ATOM 0 HE22 GLN A 25 -17.572 -0.687 -29.190 1.00 0.52 H new ATOM 362 N LEU A 26 -14.674 1.109 -34.217 1.00 30.13 N ATOM 363 CA LEU A 26 -13.702 1.831 -35.018 1.00 12.14 C ATOM 364 C LEU A 26 -12.295 1.608 -34.465 1.00 51.43 C ATOM 365 O LEU A 26 -11.916 2.196 -33.451 1.00 61.15 O ATOM 366 CB LEU A 26 -14.038 3.333 -35.036 1.00 71.53 C ATOM 367 CG LEU A 26 -13.079 4.218 -35.852 1.00 4.02 C ATOM 368 CD1 LEU A 26 -13.075 3.807 -37.321 1.00 1.33 C ATOM 369 CD2 LEU A 26 -13.456 5.689 -35.707 1.00 14.44 C ATOM 0 H LEU A 26 -14.471 1.104 -33.217 1.00 30.13 H new ATOM 0 HA LEU A 26 -13.739 1.454 -36.040 1.00 12.14 H new ATOM 0 HB2 LEU A 26 -15.045 3.457 -35.433 1.00 71.53 H new ATOM 0 HB3 LEU A 26 -14.054 3.696 -34.008 1.00 71.53 H new ATOM 0 HG LEU A 26 -12.072 4.079 -35.460 1.00 4.02 H new ATOM 0 HD11 LEU A 26 -12.390 4.447 -37.876 1.00 1.33 H new ATOM 0 HD12 LEU A 26 -12.753 2.769 -37.408 1.00 1.33 H new ATOM 0 HD13 LEU A 26 -14.080 3.910 -37.730 1.00 1.33 H new ATOM 0 HD21 LEU A 26 -12.768 6.300 -36.290 1.00 14.44 H new ATOM 0 HD22 LEU A 26 -14.473 5.841 -36.069 1.00 14.44 H new ATOM 0 HD23 LEU A 26 -13.398 5.978 -34.658 1.00 14.44 H new ATOM 381 N GLU A 27 -11.539 0.735 -35.123 1.00 2.20 N ATOM 382 CA GLU A 27 -10.137 0.515 -34.784 1.00 14.02 C ATOM 383 C GLU A 27 -9.264 0.727 -36.012 1.00 65.33 C ATOM 384 O GLU A 27 -9.204 -0.117 -36.907 1.00 60.33 O ATOM 385 CB GLU A 27 -9.898 -0.887 -34.202 1.00 53.11 C ATOM 386 CG GLU A 27 -10.461 -1.078 -32.796 1.00 1.14 C ATOM 387 CD GLU A 27 -9.865 -2.286 -32.089 1.00 4.22 C ATOM 388 OE1 GLU A 27 -8.767 -2.152 -31.501 1.00 43.34 O ATOM 389 OE2 GLU A 27 -10.477 -3.370 -32.121 1.00 35.30 O ATOM 0 H GLU A 27 -11.876 0.165 -35.899 1.00 2.20 H new ATOM 0 HA GLU A 27 -9.867 1.239 -34.015 1.00 14.02 H new ATOM 0 HB2 GLU A 27 -10.346 -1.626 -34.866 1.00 53.11 H new ATOM 0 HB3 GLU A 27 -8.826 -1.084 -34.183 1.00 53.11 H new ATOM 0 HG2 GLU A 27 -10.266 -0.183 -32.205 1.00 1.14 H new ATOM 0 HG3 GLU A 27 -11.543 -1.192 -32.854 1.00 1.14 H new ATOM 396 N LYS A 28 -8.621 1.885 -36.056 1.00 20.23 N ATOM 397 CA LYS A 28 -7.683 2.227 -37.115 1.00 1.42 C ATOM 398 C LYS A 28 -6.276 2.315 -36.529 1.00 24.22 C ATOM 399 O LYS A 28 -5.971 3.227 -35.761 1.00 43.22 O ATOM 400 CB LYS A 28 -8.089 3.554 -37.779 1.00 13.42 C ATOM 401 CG LYS A 28 -8.444 4.658 -36.782 1.00 53.12 C ATOM 402 CD LYS A 28 -8.791 5.976 -37.473 1.00 50.34 C ATOM 403 CE LYS A 28 -7.600 6.552 -38.227 1.00 71.00 C ATOM 404 NZ LYS A 28 -7.892 7.903 -38.776 1.00 31.34 N ATOM 0 H LYS A 28 -8.736 2.617 -35.355 1.00 20.23 H new ATOM 0 HA LYS A 28 -7.698 1.453 -37.883 1.00 1.42 H new ATOM 0 HB2 LYS A 28 -7.271 3.898 -38.412 1.00 13.42 H new ATOM 0 HB3 LYS A 28 -8.944 3.377 -38.431 1.00 13.42 H new ATOM 0 HG2 LYS A 28 -9.289 4.336 -36.173 1.00 53.12 H new ATOM 0 HG3 LYS A 28 -7.605 4.816 -36.104 1.00 53.12 H new ATOM 0 HD2 LYS A 28 -9.617 5.816 -38.166 1.00 50.34 H new ATOM 0 HD3 LYS A 28 -9.133 6.696 -36.730 1.00 50.34 H new ATOM 0 HE2 LYS A 28 -6.741 6.610 -37.559 1.00 71.00 H new ATOM 0 HE3 LYS A 28 -7.326 5.881 -39.041 1.00 71.00 H new ATOM 0 HZ1 LYS A 28 -7.011 8.337 -39.117 1.00 31.34 H new ATOM 0 HZ2 LYS A 28 -8.564 7.819 -39.565 1.00 31.34 H new ATOM 0 HZ3 LYS A 28 -8.306 8.499 -38.031 1.00 31.34 H new ATOM 418 N LYS A 29 -5.428 1.355 -36.875 1.00 10.31 N ATOM 419 CA LYS A 29 -4.082 1.279 -36.317 1.00 4.51 C ATOM 420 C LYS A 29 -3.066 1.653 -37.389 1.00 32.22 C ATOM 421 O LYS A 29 -2.874 0.912 -38.350 1.00 50.14 O ATOM 422 CB LYS A 29 -3.808 -0.148 -35.807 1.00 34.44 C ATOM 423 CG LYS A 29 -4.914 -0.715 -34.911 1.00 63.44 C ATOM 424 CD LYS A 29 -5.061 0.070 -33.607 1.00 73.32 C ATOM 425 CE LYS A 29 -6.264 -0.395 -32.789 1.00 34.34 C ATOM 426 NZ LYS A 29 -6.172 -1.828 -32.407 1.00 5.41 N ATOM 0 H LYS A 29 -5.649 0.615 -37.542 1.00 10.31 H new ATOM 0 HA LYS A 29 -3.996 1.975 -35.482 1.00 4.51 H new ATOM 0 HB2 LYS A 29 -3.674 -0.809 -36.663 1.00 34.44 H new ATOM 0 HB3 LYS A 29 -2.869 -0.150 -35.253 1.00 34.44 H new ATOM 0 HG2 LYS A 29 -5.861 -0.699 -35.451 1.00 63.44 H new ATOM 0 HG3 LYS A 29 -4.695 -1.758 -34.682 1.00 63.44 H new ATOM 0 HD2 LYS A 29 -4.154 -0.042 -33.013 1.00 73.32 H new ATOM 0 HD3 LYS A 29 -5.165 1.131 -33.833 1.00 73.32 H new ATOM 0 HE2 LYS A 29 -6.344 0.214 -31.888 1.00 34.34 H new ATOM 0 HE3 LYS A 29 -7.175 -0.233 -33.365 1.00 34.34 H new ATOM 0 HZ1 LYS A 29 -7.003 -2.090 -31.839 1.00 5.41 H new ATOM 0 HZ2 LYS A 29 -6.140 -2.415 -33.265 1.00 5.41 H new ATOM 0 HZ3 LYS A 29 -5.309 -1.984 -31.849 1.00 5.41 H new ATOM 440 N VAL A 30 -2.428 2.808 -37.232 1.00 1.11 N ATOM 441 CA VAL A 30 -1.455 3.283 -38.210 1.00 62.04 C ATOM 442 C VAL A 30 -0.210 2.399 -38.184 1.00 61.23 C ATOM 443 O VAL A 30 0.584 2.457 -37.243 1.00 52.32 O ATOM 444 CB VAL A 30 -1.056 4.760 -37.959 1.00 12.12 C ATOM 445 CG1 VAL A 30 -0.063 5.246 -39.017 1.00 33.10 C ATOM 446 CG2 VAL A 30 -2.295 5.658 -37.927 1.00 70.43 C ATOM 0 H VAL A 30 -2.567 3.432 -36.437 1.00 1.11 H new ATOM 0 HA VAL A 30 -1.924 3.227 -39.192 1.00 62.04 H new ATOM 0 HB VAL A 30 -0.568 4.816 -36.986 1.00 12.12 H new ATOM 0 HG11 VAL A 30 0.201 6.285 -38.818 1.00 33.10 H new ATOM 0 HG12 VAL A 30 0.836 4.630 -38.983 1.00 33.10 H new ATOM 0 HG13 VAL A 30 -0.517 5.170 -40.005 1.00 33.10 H new ATOM 0 HG21 VAL A 30 -1.992 6.690 -37.750 1.00 70.43 H new ATOM 0 HG22 VAL A 30 -2.817 5.592 -38.882 1.00 70.43 H new ATOM 0 HG23 VAL A 30 -2.960 5.332 -37.127 1.00 70.43 H new ATOM 456 N LEU A 31 -0.060 1.567 -39.209 1.00 3.31 N ATOM 457 CA LEU A 31 1.066 0.641 -39.300 1.00 51.44 C ATOM 458 C LEU A 31 2.251 1.320 -39.977 1.00 63.53 C ATOM 459 O LEU A 31 3.408 0.991 -39.717 1.00 71.22 O ATOM 460 CB LEU A 31 0.660 -0.618 -40.081 1.00 73.13 C ATOM 461 CG LEU A 31 -0.516 -1.412 -39.487 1.00 33.10 C ATOM 462 CD1 LEU A 31 -0.834 -2.630 -40.352 1.00 41.32 C ATOM 463 CD2 LEU A 31 -0.217 -1.829 -38.047 1.00 61.33 C ATOM 0 H LEU A 31 -0.709 1.514 -39.994 1.00 3.31 H new ATOM 0 HA LEU A 31 1.358 0.347 -38.292 1.00 51.44 H new ATOM 0 HB2 LEU A 31 0.402 -0.326 -41.099 1.00 73.13 H new ATOM 0 HB3 LEU A 31 1.525 -1.278 -40.148 1.00 73.13 H new ATOM 0 HG LEU A 31 -1.393 -0.765 -39.475 1.00 33.10 H new ATOM 0 HD11 LEU A 31 -1.669 -3.179 -39.915 1.00 41.32 H new ATOM 0 HD12 LEU A 31 -1.101 -2.303 -41.357 1.00 41.32 H new ATOM 0 HD13 LEU A 31 0.040 -3.279 -40.402 1.00 41.32 H new ATOM 0 HD21 LEU A 31 -1.062 -2.389 -37.647 1.00 61.33 H new ATOM 0 HD22 LEU A 31 0.675 -2.455 -38.027 1.00 61.33 H new ATOM 0 HD23 LEU A 31 -0.050 -0.940 -37.438 1.00 61.33 H new ATOM 475 N THR A 32 1.942 2.274 -40.847 1.00 73.42 N ATOM 476 CA THR A 32 2.950 3.029 -41.574 1.00 63.14 C ATOM 477 C THR A 32 2.520 4.492 -41.672 1.00 74.03 C ATOM 478 O THR A 32 1.537 4.800 -42.349 1.00 24.43 O ATOM 479 CB THR A 32 3.143 2.467 -43.001 1.00 71.24 C ATOM 480 OG1 THR A 32 3.389 1.055 -42.944 1.00 42.12 O ATOM 481 CG2 THR A 32 4.296 3.161 -43.721 1.00 61.24 C ATOM 0 H THR A 32 0.984 2.545 -41.067 1.00 73.42 H new ATOM 0 HA THR A 32 3.893 2.946 -41.033 1.00 63.14 H new ATOM 0 HB THR A 32 2.228 2.657 -43.562 1.00 71.24 H new ATOM 0 HG1 THR A 32 4.320 0.875 -43.192 1.00 42.12 H new ATOM 0 HG21 THR A 32 4.405 2.742 -44.722 1.00 61.24 H new ATOM 0 HG22 THR A 32 4.089 4.229 -43.795 1.00 61.24 H new ATOM 0 HG23 THR A 32 5.219 3.008 -43.162 1.00 61.24 H new ATOM 489 N PRO A 33 3.224 5.404 -40.972 1.00 53.10 N ATOM 490 CA PRO A 33 2.941 6.845 -41.044 1.00 31.44 C ATOM 491 C PRO A 33 3.094 7.368 -42.469 1.00 3.51 C ATOM 492 O PRO A 33 4.126 7.154 -43.108 1.00 22.31 O ATOM 493 CB PRO A 33 3.997 7.471 -40.115 1.00 1.05 C ATOM 494 CG PRO A 33 4.417 6.357 -39.216 1.00 71.12 C ATOM 495 CD PRO A 33 4.340 5.112 -40.056 1.00 42.35 C ATOM 0 HA PRO A 33 1.919 7.086 -40.750 1.00 31.44 H new ATOM 0 HB2 PRO A 33 4.842 7.862 -40.682 1.00 1.05 H new ATOM 0 HB3 PRO A 33 3.581 8.303 -39.547 1.00 1.05 H new ATOM 0 HG2 PRO A 33 5.428 6.515 -38.841 1.00 71.12 H new ATOM 0 HG3 PRO A 33 3.762 6.286 -38.347 1.00 71.12 H new ATOM 0 HD2 PRO A 33 5.269 4.930 -40.596 1.00 42.35 H new ATOM 0 HD3 PRO A 33 4.145 4.227 -39.450 1.00 42.35 H new ATOM 503 N GLY A 34 2.064 8.037 -42.962 1.00 1.22 N ATOM 504 CA GLY A 34 2.076 8.527 -44.324 1.00 71.12 C ATOM 505 C GLY A 34 2.796 9.846 -44.468 1.00 51.22 C ATOM 506 O GLY A 34 3.401 10.350 -43.514 1.00 33.52 O ATOM 0 H GLY A 34 1.214 8.251 -42.439 1.00 1.22 H new ATOM 0 HA2 GLY A 34 2.552 7.787 -44.967 1.00 71.12 H new ATOM 0 HA3 GLY A 34 1.050 8.639 -44.673 1.00 71.12 H new ATOM 510 N ASP A 35 2.735 10.396 -45.673 1.00 1.32 N ATOM 511 CA ASP A 35 3.345 11.685 -45.984 1.00 65.45 C ATOM 512 C ASP A 35 2.733 12.791 -45.121 1.00 14.34 C ATOM 513 O ASP A 35 3.438 13.654 -44.598 1.00 32.43 O ATOM 514 CB ASP A 35 3.158 11.986 -47.470 1.00 64.24 C ATOM 515 CG ASP A 35 3.682 13.349 -47.871 1.00 72.41 C ATOM 516 OD1 ASP A 35 4.906 13.487 -48.078 1.00 51.11 O ATOM 517 OD2 ASP A 35 2.867 14.286 -47.999 1.00 4.21 O ATOM 0 H ASP A 35 2.261 9.962 -46.465 1.00 1.32 H new ATOM 0 HA ASP A 35 4.411 11.644 -45.762 1.00 65.45 H new ATOM 0 HB2 ASP A 35 3.667 11.221 -48.056 1.00 64.24 H new ATOM 0 HB3 ASP A 35 2.098 11.924 -47.716 1.00 64.24 H new ATOM 522 N GLY A 36 1.413 12.755 -44.981 1.00 33.03 N ATOM 523 CA GLY A 36 0.722 13.614 -44.034 1.00 42.44 C ATOM 524 C GLY A 36 0.123 14.868 -44.645 1.00 51.13 C ATOM 525 O GLY A 36 -0.907 15.350 -44.167 1.00 23.41 O ATOM 0 H GLY A 36 0.801 12.137 -45.514 1.00 33.03 H new ATOM 0 HA2 GLY A 36 -0.073 13.042 -43.557 1.00 42.44 H new ATOM 0 HA3 GLY A 36 1.421 13.905 -43.249 1.00 42.44 H new ATOM 529 N VAL A 37 0.730 15.401 -45.707 1.00 62.44 N ATOM 530 CA VAL A 37 0.202 16.616 -46.338 1.00 70.24 C ATOM 531 C VAL A 37 -0.531 16.279 -47.636 1.00 51.32 C ATOM 532 O VAL A 37 -1.448 16.991 -48.047 1.00 73.24 O ATOM 533 CB VAL A 37 1.304 17.680 -46.602 1.00 11.24 C ATOM 534 CG1 VAL A 37 2.079 17.987 -45.321 1.00 11.54 C ATOM 535 CG2 VAL A 37 2.254 17.249 -47.715 1.00 52.31 C ATOM 0 H VAL A 37 1.571 15.021 -46.143 1.00 62.44 H new ATOM 0 HA VAL A 37 -0.504 17.052 -45.632 1.00 70.24 H new ATOM 0 HB VAL A 37 0.804 18.590 -46.933 1.00 11.24 H new ATOM 0 HG11 VAL A 37 2.845 18.734 -45.529 1.00 11.54 H new ATOM 0 HG12 VAL A 37 1.394 18.371 -44.565 1.00 11.54 H new ATOM 0 HG13 VAL A 37 2.551 17.076 -44.954 1.00 11.54 H new ATOM 0 HG21 VAL A 37 3.009 18.020 -47.868 1.00 52.31 H new ATOM 0 HG22 VAL A 37 2.741 16.315 -47.436 1.00 52.31 H new ATOM 0 HG23 VAL A 37 1.692 17.104 -48.637 1.00 52.31 H new ATOM 545 N THR A 38 -0.123 15.188 -48.278 1.00 10.01 N ATOM 546 CA THR A 38 -0.828 14.683 -49.448 1.00 12.05 C ATOM 547 C THR A 38 -2.115 13.978 -49.015 1.00 25.34 C ATOM 548 O THR A 38 -2.128 12.773 -48.739 1.00 54.22 O ATOM 549 CB THR A 38 0.067 13.729 -50.269 1.00 44.23 C ATOM 550 OG1 THR A 38 0.790 12.868 -49.380 1.00 15.11 O ATOM 551 CG2 THR A 38 1.047 14.507 -51.147 1.00 33.03 C ATOM 0 H THR A 38 0.692 14.638 -48.007 1.00 10.01 H new ATOM 0 HA THR A 38 -1.085 15.527 -50.088 1.00 12.05 H new ATOM 0 HB THR A 38 -0.573 13.135 -50.922 1.00 44.23 H new ATOM 0 HG1 THR A 38 0.165 12.441 -48.758 1.00 15.11 H new ATOM 0 HG21 THR A 38 1.663 13.808 -51.712 1.00 33.03 H new ATOM 0 HG22 THR A 38 0.492 15.142 -51.837 1.00 33.03 H new ATOM 0 HG23 THR A 38 1.686 15.127 -50.518 1.00 33.03 H new ATOM 559 N LYS A 39 -3.185 14.759 -48.914 1.00 43.31 N ATOM 560 CA LYS A 39 -4.470 14.273 -48.426 1.00 13.11 C ATOM 561 C LYS A 39 -5.364 13.821 -49.585 1.00 41.21 C ATOM 562 O LYS A 39 -5.759 14.636 -50.423 1.00 63.14 O ATOM 563 CB LYS A 39 -5.164 15.383 -47.618 1.00 22.03 C ATOM 564 CG LYS A 39 -4.386 15.808 -46.372 1.00 14.54 C ATOM 565 CD LYS A 39 -4.969 17.060 -45.705 1.00 41.50 C ATOM 566 CE LYS A 39 -6.385 16.851 -45.163 1.00 4.21 C ATOM 567 NZ LYS A 39 -7.421 16.876 -46.234 1.00 32.51 N ATOM 0 H LYS A 39 -3.186 15.747 -49.168 1.00 43.31 H new ATOM 0 HA LYS A 39 -4.296 13.410 -47.783 1.00 13.11 H new ATOM 0 HB2 LYS A 39 -5.309 16.252 -48.260 1.00 22.03 H new ATOM 0 HB3 LYS A 39 -6.154 15.039 -47.319 1.00 22.03 H new ATOM 0 HG2 LYS A 39 -4.383 14.988 -45.654 1.00 14.54 H new ATOM 0 HG3 LYS A 39 -3.348 15.997 -46.645 1.00 14.54 H new ATOM 0 HD2 LYS A 39 -4.316 17.366 -44.888 1.00 41.50 H new ATOM 0 HD3 LYS A 39 -4.980 17.877 -46.427 1.00 41.50 H new ATOM 0 HE2 LYS A 39 -6.432 15.896 -44.640 1.00 4.21 H new ATOM 0 HE3 LYS A 39 -6.607 17.627 -44.430 1.00 4.21 H new ATOM 0 HZ1 LYS A 39 -8.202 17.500 -45.947 1.00 32.51 H new ATOM 0 HZ2 LYS A 39 -7.000 17.232 -47.116 1.00 32.51 H new ATOM 0 HZ3 LYS A 39 -7.785 15.914 -46.388 1.00 32.51 H new ATOM 581 N PRO A 40 -5.678 12.510 -49.663 1.00 42.33 N ATOM 582 CA PRO A 40 -6.615 11.985 -50.659 1.00 34.02 C ATOM 583 C PRO A 40 -8.047 12.420 -50.346 1.00 15.53 C ATOM 584 O PRO A 40 -8.656 11.952 -49.379 1.00 20.24 O ATOM 585 CB PRO A 40 -6.454 10.461 -50.541 1.00 14.44 C ATOM 586 CG PRO A 40 -5.980 10.240 -49.144 1.00 71.04 C ATOM 587 CD PRO A 40 -5.144 11.443 -48.791 1.00 13.23 C ATOM 0 HA PRO A 40 -6.414 12.350 -51.666 1.00 34.02 H new ATOM 0 HB2 PRO A 40 -7.397 9.947 -50.725 1.00 14.44 H new ATOM 0 HB3 PRO A 40 -5.736 10.081 -51.268 1.00 14.44 H new ATOM 0 HG2 PRO A 40 -6.821 10.136 -48.459 1.00 71.04 H new ATOM 0 HG3 PRO A 40 -5.394 9.324 -49.072 1.00 71.04 H new ATOM 0 HD2 PRO A 40 -5.241 11.702 -47.737 1.00 13.23 H new ATOM 0 HD3 PRO A 40 -4.085 11.264 -48.980 1.00 13.23 H new ATOM 595 N GLN A 41 -8.563 13.340 -51.151 1.00 71.30 N ATOM 596 CA GLN A 41 -9.891 13.908 -50.936 1.00 74.23 C ATOM 597 C GLN A 41 -10.939 13.148 -51.748 1.00 54.51 C ATOM 598 O GLN A 41 -10.608 12.485 -52.735 1.00 73.51 O ATOM 599 CB GLN A 41 -9.881 15.393 -51.321 1.00 32.32 C ATOM 600 CG GLN A 41 -8.895 16.223 -50.505 1.00 20.14 C ATOM 601 CD GLN A 41 -8.731 17.635 -51.037 1.00 75.11 C ATOM 602 OE1 GLN A 41 -9.458 18.547 -50.653 1.00 42.13 O ATOM 603 NE2 GLN A 41 -7.768 17.824 -51.926 1.00 32.25 N ATOM 0 H GLN A 41 -8.078 13.713 -51.967 1.00 71.30 H new ATOM 0 HA GLN A 41 -10.152 13.815 -49.882 1.00 74.23 H new ATOM 0 HB2 GLN A 41 -9.634 15.485 -52.379 1.00 32.32 H new ATOM 0 HB3 GLN A 41 -10.883 15.801 -51.191 1.00 32.32 H new ATOM 0 HG2 GLN A 41 -9.234 16.267 -49.470 1.00 20.14 H new ATOM 0 HG3 GLN A 41 -7.925 15.726 -50.502 1.00 20.14 H new ATOM 0 HE21 GLN A 41 -7.185 17.041 -52.220 1.00 32.25 H new ATOM 0 HE22 GLN A 41 -7.610 18.753 -52.317 1.00 32.25 H new ATOM 612 N ALA A 42 -12.196 13.238 -51.319 1.00 32.14 N ATOM 613 CA ALA A 42 -13.300 12.580 -52.013 1.00 64.43 C ATOM 614 C ALA A 42 -13.522 13.192 -53.396 1.00 53.00 C ATOM 615 O ALA A 42 -13.142 14.338 -53.647 1.00 74.42 O ATOM 616 CB ALA A 42 -14.573 12.666 -51.176 1.00 22.33 C ATOM 0 H ALA A 42 -12.476 13.763 -50.490 1.00 32.14 H new ATOM 0 HA ALA A 42 -13.041 11.530 -52.151 1.00 64.43 H new ATOM 0 HB1 ALA A 42 -15.389 12.172 -51.703 1.00 22.33 H new ATOM 0 HB2 ALA A 42 -14.411 12.175 -50.216 1.00 22.33 H new ATOM 0 HB3 ALA A 42 -14.829 13.712 -51.010 1.00 22.33 H new ATOM 622 N GLY A 43 -14.142 12.419 -54.283 1.00 22.23 N ATOM 623 CA GLY A 43 -14.383 12.870 -55.643 1.00 40.21 C ATOM 624 C GLY A 43 -13.121 12.842 -56.487 1.00 65.14 C ATOM 625 O GLY A 43 -13.020 13.548 -57.494 1.00 43.04 O ATOM 0 H GLY A 43 -14.485 11.480 -54.082 1.00 22.23 H new ATOM 0 HA2 GLY A 43 -15.141 12.238 -56.105 1.00 40.21 H new ATOM 0 HA3 GLY A 43 -14.782 13.884 -55.623 1.00 40.21 H new ATOM 629 N LYS A 44 -12.152 12.030 -56.069 1.00 15.02 N ATOM 630 CA LYS A 44 -10.865 11.925 -56.756 1.00 4.12 C ATOM 631 C LYS A 44 -10.496 10.454 -56.972 1.00 2.42 C ATOM 632 O LYS A 44 -10.759 9.610 -56.112 1.00 21.32 O ATOM 633 CB LYS A 44 -9.766 12.621 -55.930 1.00 74.43 C ATOM 634 CG LYS A 44 -10.062 14.085 -55.589 1.00 13.21 C ATOM 635 CD LYS A 44 -10.061 14.982 -56.826 1.00 25.44 C ATOM 636 CE LYS A 44 -8.667 15.114 -57.428 1.00 74.31 C ATOM 637 NZ LYS A 44 -7.706 15.735 -56.475 1.00 24.40 N ATOM 0 H LYS A 44 -12.235 11.429 -55.249 1.00 15.02 H new ATOM 0 HA LYS A 44 -10.948 12.415 -57.726 1.00 4.12 H new ATOM 0 HB2 LYS A 44 -9.620 12.067 -55.003 1.00 74.43 H new ATOM 0 HB3 LYS A 44 -8.827 12.572 -56.482 1.00 74.43 H new ATOM 0 HG2 LYS A 44 -11.032 14.152 -55.096 1.00 13.21 H new ATOM 0 HG3 LYS A 44 -9.318 14.448 -54.880 1.00 13.21 H new ATOM 0 HD2 LYS A 44 -10.742 14.573 -57.572 1.00 25.44 H new ATOM 0 HD3 LYS A 44 -10.437 15.970 -56.559 1.00 25.44 H new ATOM 0 HE2 LYS A 44 -8.303 14.129 -57.720 1.00 74.31 H new ATOM 0 HE3 LYS A 44 -8.719 15.716 -58.335 1.00 74.31 H new ATOM 0 HZ1 LYS A 44 -6.855 16.039 -56.989 1.00 24.40 H new ATOM 0 HZ2 LYS A 44 -8.150 16.559 -56.022 1.00 24.40 H new ATOM 0 HZ3 LYS A 44 -7.441 15.041 -55.747 1.00 24.40 H new ATOM 651 N LYS A 45 -9.904 10.151 -58.127 1.00 31.54 N ATOM 652 CA LYS A 45 -9.404 8.808 -58.408 1.00 2.24 C ATOM 653 C LYS A 45 -8.152 8.538 -57.573 1.00 43.32 C ATOM 654 O LYS A 45 -7.088 9.104 -57.835 1.00 1.42 O ATOM 655 CB LYS A 45 -9.081 8.653 -59.906 1.00 23.45 C ATOM 656 CG LYS A 45 -8.483 7.291 -60.275 1.00 51.53 C ATOM 657 CD LYS A 45 -9.504 6.160 -60.165 1.00 61.23 C ATOM 658 CE LYS A 45 -10.504 6.176 -61.318 1.00 43.20 C ATOM 659 NZ LYS A 45 -9.847 5.894 -62.623 1.00 55.24 N ATOM 0 H LYS A 45 -9.759 10.820 -58.884 1.00 31.54 H new ATOM 0 HA LYS A 45 -10.176 8.085 -58.145 1.00 2.24 H new ATOM 0 HB2 LYS A 45 -9.994 8.806 -60.482 1.00 23.45 H new ATOM 0 HB3 LYS A 45 -8.383 9.437 -60.200 1.00 23.45 H new ATOM 0 HG2 LYS A 45 -8.096 7.330 -61.293 1.00 51.53 H new ATOM 0 HG3 LYS A 45 -7.637 7.079 -59.621 1.00 51.53 H new ATOM 0 HD2 LYS A 45 -8.984 5.202 -60.150 1.00 61.23 H new ATOM 0 HD3 LYS A 45 -10.040 6.246 -59.220 1.00 61.23 H new ATOM 0 HE2 LYS A 45 -11.282 5.435 -61.135 1.00 43.20 H new ATOM 0 HE3 LYS A 45 -10.994 7.149 -61.360 1.00 43.20 H new ATOM 0 HZ1 LYS A 45 -10.566 5.613 -63.320 1.00 55.24 H new ATOM 0 HZ2 LYS A 45 -9.357 6.748 -62.957 1.00 55.24 H new ATOM 0 HZ3 LYS A 45 -9.159 5.123 -62.506 1.00 55.24 H new ATOM 673 N VAL A 46 -8.284 7.692 -56.561 1.00 62.24 N ATOM 674 CA VAL A 46 -7.173 7.373 -55.672 1.00 12.10 C ATOM 675 C VAL A 46 -6.638 5.968 -55.950 1.00 64.05 C ATOM 676 O VAL A 46 -7.390 5.069 -56.351 1.00 45.11 O ATOM 677 CB VAL A 46 -7.590 7.485 -54.179 1.00 33.35 C ATOM 678 CG1 VAL A 46 -7.993 8.921 -53.837 1.00 13.43 C ATOM 679 CG2 VAL A 46 -8.720 6.508 -53.853 1.00 33.14 C ATOM 0 H VAL A 46 -9.154 7.211 -56.333 1.00 62.24 H new ATOM 0 HA VAL A 46 -6.385 8.100 -55.868 1.00 12.10 H new ATOM 0 HB VAL A 46 -6.730 7.219 -53.565 1.00 33.35 H new ATOM 0 HG11 VAL A 46 -8.281 8.978 -52.787 1.00 13.43 H new ATOM 0 HG12 VAL A 46 -7.151 9.588 -54.018 1.00 13.43 H new ATOM 0 HG13 VAL A 46 -8.835 9.221 -54.461 1.00 13.43 H new ATOM 0 HG21 VAL A 46 -8.994 6.606 -52.802 1.00 33.14 H new ATOM 0 HG22 VAL A 46 -9.586 6.732 -54.476 1.00 33.14 H new ATOM 0 HG23 VAL A 46 -8.387 5.489 -54.048 1.00 33.14 H new ATOM 689 N THR A 47 -5.332 5.804 -55.755 1.00 20.33 N ATOM 690 CA THR A 47 -4.660 4.524 -55.929 1.00 43.45 C ATOM 691 C THR A 47 -4.339 3.918 -54.561 1.00 3.34 C ATOM 692 O THR A 47 -3.461 4.407 -53.837 1.00 53.32 O ATOM 693 CB THR A 47 -3.365 4.693 -56.755 1.00 31.33 C ATOM 694 OG1 THR A 47 -3.673 5.319 -58.010 1.00 10.14 O ATOM 695 CG2 THR A 47 -2.685 3.352 -57.009 1.00 54.21 C ATOM 0 H THR A 47 -4.709 6.560 -55.471 1.00 20.33 H new ATOM 0 HA THR A 47 -5.325 3.852 -56.472 1.00 43.45 H new ATOM 0 HB THR A 47 -2.679 5.318 -56.183 1.00 31.33 H new ATOM 0 HG1 THR A 47 -2.851 5.427 -58.532 1.00 10.14 H new ATOM 0 HG21 THR A 47 -1.778 3.509 -57.593 1.00 54.21 H new ATOM 0 HG22 THR A 47 -2.428 2.888 -56.057 1.00 54.21 H new ATOM 0 HG23 THR A 47 -3.362 2.699 -57.560 1.00 54.21 H new ATOM 703 N VAL A 48 -5.069 2.862 -54.218 1.00 1.43 N ATOM 704 CA VAL A 48 -5.032 2.266 -52.885 1.00 41.03 C ATOM 705 C VAL A 48 -4.556 0.811 -52.921 1.00 2.14 C ATOM 706 O VAL A 48 -4.260 0.261 -53.980 1.00 5.01 O ATOM 707 CB VAL A 48 -6.432 2.318 -52.227 1.00 25.31 C ATOM 708 CG1 VAL A 48 -6.951 3.753 -52.162 1.00 2.44 C ATOM 709 CG2 VAL A 48 -7.418 1.425 -52.979 1.00 31.14 C ATOM 0 H VAL A 48 -5.707 2.392 -54.860 1.00 1.43 H new ATOM 0 HA VAL A 48 -4.322 2.849 -52.299 1.00 41.03 H new ATOM 0 HB VAL A 48 -6.338 1.943 -51.208 1.00 25.31 H new ATOM 0 HG11 VAL A 48 -7.936 3.763 -51.696 1.00 2.44 H new ATOM 0 HG12 VAL A 48 -6.265 4.362 -51.573 1.00 2.44 H new ATOM 0 HG13 VAL A 48 -7.023 4.160 -53.171 1.00 2.44 H new ATOM 0 HG21 VAL A 48 -8.395 1.477 -52.499 1.00 31.14 H new ATOM 0 HG22 VAL A 48 -7.502 1.765 -54.011 1.00 31.14 H new ATOM 0 HG23 VAL A 48 -7.061 0.395 -52.964 1.00 31.14 H new ATOM 719 N HIS A 49 -4.467 0.213 -51.737 1.00 0.12 N ATOM 720 CA HIS A 49 -4.083 -1.186 -51.572 1.00 21.40 C ATOM 721 C HIS A 49 -4.748 -1.746 -50.313 1.00 62.51 C ATOM 722 O HIS A 49 -4.793 -1.072 -49.284 1.00 12.42 O ATOM 723 CB HIS A 49 -2.553 -1.292 -51.478 1.00 65.53 C ATOM 724 CG HIS A 49 -2.032 -2.632 -51.057 1.00 3.22 C ATOM 725 ND1 HIS A 49 -1.065 -2.781 -50.088 1.00 4.14 N ATOM 726 CD2 HIS A 49 -2.332 -3.880 -51.484 1.00 44.34 C ATOM 727 CE1 HIS A 49 -0.790 -4.061 -49.934 1.00 71.41 C ATOM 728 NE2 HIS A 49 -1.546 -4.751 -50.771 1.00 60.41 N ATOM 0 H HIS A 49 -4.661 0.690 -50.856 1.00 0.12 H new ATOM 0 HA HIS A 49 -4.415 -1.769 -52.431 1.00 21.40 H new ATOM 0 HB2 HIS A 49 -2.127 -1.043 -52.450 1.00 65.53 H new ATOM 0 HB3 HIS A 49 -2.195 -0.543 -50.772 1.00 65.53 H new ATOM 0 HD1 HIS A 49 -0.629 -2.019 -49.569 1.00 4.14 H new ATOM 0 HD2 HIS A 49 -3.054 -4.142 -52.243 1.00 44.34 H new ATOM 0 HE1 HIS A 49 -0.071 -4.475 -49.243 1.00 71.41 H new ATOM 737 N TYR A 50 -5.277 -2.964 -50.400 1.00 14.34 N ATOM 738 CA TYR A 50 -5.976 -3.588 -49.274 1.00 11.42 C ATOM 739 C TYR A 50 -5.393 -4.962 -48.973 1.00 70.24 C ATOM 740 O TYR A 50 -4.723 -5.554 -49.824 1.00 63.33 O ATOM 741 CB TYR A 50 -7.472 -3.750 -49.590 1.00 61.52 C ATOM 742 CG TYR A 50 -8.190 -2.459 -49.942 1.00 44.20 C ATOM 743 CD1 TYR A 50 -8.310 -1.437 -49.010 1.00 44.43 C ATOM 744 CD2 TYR A 50 -8.747 -2.264 -51.202 1.00 71.34 C ATOM 745 CE1 TYR A 50 -8.966 -0.263 -49.319 1.00 51.13 C ATOM 746 CE2 TYR A 50 -9.406 -1.091 -51.517 1.00 2.23 C ATOM 747 CZ TYR A 50 -9.511 -0.093 -50.571 1.00 62.13 C ATOM 748 OH TYR A 50 -10.171 1.076 -50.877 1.00 33.15 O ATOM 0 H TYR A 50 -5.236 -3.542 -51.240 1.00 14.34 H new ATOM 0 HA TYR A 50 -5.850 -2.939 -48.408 1.00 11.42 H new ATOM 0 HB2 TYR A 50 -7.580 -4.448 -50.420 1.00 61.52 H new ATOM 0 HB3 TYR A 50 -7.965 -4.200 -48.728 1.00 61.52 H new ATOM 0 HD1 TYR A 50 -7.883 -1.563 -48.026 1.00 44.43 H new ATOM 0 HD2 TYR A 50 -8.663 -3.042 -51.946 1.00 71.34 H new ATOM 0 HE1 TYR A 50 -9.051 0.520 -48.580 1.00 51.13 H new ATOM 0 HE2 TYR A 50 -9.836 -0.957 -52.498 1.00 2.23 H new ATOM 0 HH TYR A 50 -10.374 1.096 -51.835 1.00 33.15 H new ATOM 758 N ASP A 51 -5.626 -5.446 -47.755 1.00 4.52 N ATOM 759 CA ASP A 51 -5.359 -6.844 -47.403 1.00 51.23 C ATOM 760 C ASP A 51 -6.447 -7.355 -46.454 1.00 52.23 C ATOM 761 O ASP A 51 -6.847 -6.646 -45.524 1.00 72.43 O ATOM 762 CB ASP A 51 -3.971 -6.989 -46.760 1.00 43.42 C ATOM 763 CG ASP A 51 -3.558 -8.445 -46.569 1.00 52.30 C ATOM 764 OD1 ASP A 51 -3.997 -9.072 -45.588 1.00 62.22 O ATOM 765 OD2 ASP A 51 -2.772 -8.962 -47.393 1.00 54.15 O ATOM 0 H ASP A 51 -6.002 -4.888 -46.988 1.00 4.52 H new ATOM 0 HA ASP A 51 -5.371 -7.443 -48.313 1.00 51.23 H new ATOM 0 HB2 ASP A 51 -3.232 -6.485 -47.383 1.00 43.42 H new ATOM 0 HB3 ASP A 51 -3.969 -6.486 -45.793 1.00 43.42 H new ATOM 770 N GLY A 52 -6.930 -8.572 -46.702 1.00 64.23 N ATOM 771 CA GLY A 52 -8.029 -9.129 -45.921 1.00 20.04 C ATOM 772 C GLY A 52 -7.539 -9.948 -44.741 1.00 41.33 C ATOM 773 O GLY A 52 -6.793 -10.913 -44.916 1.00 22.22 O ATOM 0 H GLY A 52 -6.578 -9.188 -47.435 1.00 64.23 H new ATOM 0 HA2 GLY A 52 -8.663 -8.319 -45.560 1.00 20.04 H new ATOM 0 HA3 GLY A 52 -8.648 -9.756 -46.564 1.00 20.04 H new ATOM 777 N ARG A 53 -8.000 -9.596 -43.544 1.00 44.32 N ATOM 778 CA ARG A 53 -7.462 -10.162 -42.312 1.00 1.42 C ATOM 779 C ARG A 53 -8.585 -10.423 -41.288 1.00 33.53 C ATOM 780 O ARG A 53 -9.501 -9.611 -41.118 1.00 63.13 O ATOM 781 CB ARG A 53 -6.405 -9.184 -41.747 1.00 71.31 C ATOM 782 CG ARG A 53 -5.079 -9.831 -41.342 1.00 52.10 C ATOM 783 CD ARG A 53 -5.146 -10.476 -39.965 1.00 42.02 C ATOM 784 NE ARG A 53 -3.872 -11.094 -39.584 1.00 21.24 N ATOM 785 CZ ARG A 53 -2.765 -10.419 -39.254 1.00 61.51 C ATOM 786 NH1 ARG A 53 -2.715 -9.094 -39.357 1.00 32.45 N ATOM 787 NH2 ARG A 53 -1.692 -11.079 -38.844 1.00 4.41 N ATOM 0 H ARG A 53 -8.749 -8.918 -43.402 1.00 44.32 H new ATOM 0 HA ARG A 53 -6.994 -11.124 -42.521 1.00 1.42 H new ATOM 0 HB2 ARG A 53 -6.205 -8.417 -42.495 1.00 71.31 H new ATOM 0 HB3 ARG A 53 -6.826 -8.679 -40.878 1.00 71.31 H new ATOM 0 HG2 ARG A 53 -4.805 -10.584 -42.080 1.00 52.10 H new ATOM 0 HG3 ARG A 53 -4.292 -9.077 -41.349 1.00 52.10 H new ATOM 0 HD2 ARG A 53 -5.419 -9.723 -39.225 1.00 42.02 H new ATOM 0 HD3 ARG A 53 -5.932 -11.231 -39.957 1.00 42.02 H new ATOM 0 HE ARG A 53 -3.826 -12.113 -39.570 1.00 21.24 H new ATOM 0 HH11 ARG A 53 -3.528 -8.577 -39.692 1.00 32.45 H new ATOM 0 HH12 ARG A 53 -1.863 -8.594 -39.101 1.00 32.45 H new ATOM 0 HH21 ARG A 53 -1.712 -12.097 -38.781 1.00 4.41 H new ATOM 0 HH22 ARG A 53 -0.845 -10.569 -38.591 1.00 4.41 H new ATOM 801 N PHE A 54 -8.518 -11.573 -40.626 1.00 54.13 N ATOM 802 CA PHE A 54 -9.458 -11.913 -39.557 1.00 71.03 C ATOM 803 C PHE A 54 -8.909 -11.430 -38.213 1.00 14.50 C ATOM 804 O PHE A 54 -7.692 -11.409 -38.015 1.00 62.12 O ATOM 805 CB PHE A 54 -9.698 -13.432 -39.498 1.00 75.12 C ATOM 806 CG PHE A 54 -10.394 -14.001 -40.710 1.00 4.21 C ATOM 807 CD1 PHE A 54 -11.778 -13.965 -40.813 1.00 43.03 C ATOM 808 CD2 PHE A 54 -9.666 -14.583 -41.739 1.00 10.32 C ATOM 809 CE1 PHE A 54 -12.418 -14.494 -41.918 1.00 64.24 C ATOM 810 CE2 PHE A 54 -10.304 -15.115 -42.842 1.00 10.31 C ATOM 811 CZ PHE A 54 -11.681 -15.069 -42.933 1.00 33.43 C ATOM 0 H PHE A 54 -7.818 -12.292 -40.811 1.00 54.13 H new ATOM 0 HA PHE A 54 -10.407 -11.420 -39.766 1.00 71.03 H new ATOM 0 HB2 PHE A 54 -8.739 -13.935 -39.376 1.00 75.12 H new ATOM 0 HB3 PHE A 54 -10.292 -13.660 -38.613 1.00 75.12 H new ATOM 0 HD1 PHE A 54 -12.361 -13.519 -40.021 1.00 43.03 H new ATOM 0 HD2 PHE A 54 -8.588 -14.620 -41.676 1.00 10.32 H new ATOM 0 HE1 PHE A 54 -13.495 -14.457 -41.987 1.00 64.24 H new ATOM 0 HE2 PHE A 54 -9.726 -15.567 -43.634 1.00 10.31 H new ATOM 0 HZ PHE A 54 -12.180 -15.482 -43.797 1.00 33.43 H new ATOM 821 N PRO A 55 -9.794 -11.047 -37.269 1.00 32.51 N ATOM 822 CA PRO A 55 -9.384 -10.588 -35.929 1.00 12.25 C ATOM 823 C PRO A 55 -8.560 -11.640 -35.176 1.00 74.21 C ATOM 824 O PRO A 55 -7.860 -11.326 -34.212 1.00 2.34 O ATOM 825 CB PRO A 55 -10.719 -10.326 -35.209 1.00 42.22 C ATOM 826 CG PRO A 55 -11.711 -10.125 -36.306 1.00 14.43 C ATOM 827 CD PRO A 55 -11.261 -11.016 -37.432 1.00 41.45 C ATOM 0 HA PRO A 55 -8.739 -9.711 -35.982 1.00 12.25 H new ATOM 0 HB2 PRO A 55 -10.997 -11.167 -34.573 1.00 42.22 H new ATOM 0 HB3 PRO A 55 -10.656 -9.448 -34.567 1.00 42.22 H new ATOM 0 HG2 PRO A 55 -12.717 -10.388 -35.977 1.00 14.43 H new ATOM 0 HG3 PRO A 55 -11.741 -9.082 -36.620 1.00 14.43 H new ATOM 0 HD2 PRO A 55 -11.696 -12.012 -37.356 1.00 41.45 H new ATOM 0 HD3 PRO A 55 -11.550 -10.615 -38.403 1.00 41.45 H new ATOM 835 N ASP A 56 -8.655 -12.891 -35.627 1.00 72.30 N ATOM 836 CA ASP A 56 -7.911 -13.999 -35.018 1.00 2.21 C ATOM 837 C ASP A 56 -6.412 -13.829 -35.237 1.00 31.10 C ATOM 838 O ASP A 56 -5.601 -14.238 -34.406 1.00 51.45 O ATOM 839 CB ASP A 56 -8.331 -15.353 -35.621 1.00 33.21 C ATOM 840 CG ASP A 56 -9.818 -15.637 -35.514 1.00 3.34 C ATOM 841 OD1 ASP A 56 -10.368 -15.566 -34.396 1.00 33.45 O ATOM 842 OD2 ASP A 56 -10.443 -15.940 -36.556 1.00 1.05 O ATOM 0 H ASP A 56 -9.242 -13.165 -36.415 1.00 72.30 H new ATOM 0 HA ASP A 56 -8.139 -13.985 -33.952 1.00 2.21 H new ATOM 0 HB2 ASP A 56 -8.041 -15.378 -36.671 1.00 33.21 H new ATOM 0 HB3 ASP A 56 -7.782 -16.150 -35.119 1.00 33.21 H new ATOM 847 N GLY A 57 -6.061 -13.216 -36.360 1.00 5.43 N ATOM 848 CA GLY A 57 -4.681 -13.193 -36.822 1.00 3.42 C ATOM 849 C GLY A 57 -4.556 -13.966 -38.118 1.00 52.54 C ATOM 850 O GLY A 57 -3.615 -13.780 -38.891 1.00 13.40 O ATOM 0 H GLY A 57 -6.716 -12.727 -36.969 1.00 5.43 H new ATOM 0 HA2 GLY A 57 -4.356 -12.163 -36.970 1.00 3.42 H new ATOM 0 HA3 GLY A 57 -4.028 -13.628 -36.065 1.00 3.42 H new ATOM 854 N LYS A 58 -5.533 -14.841 -38.339 1.00 22.23 N ATOM 855 CA LYS A 58 -5.681 -15.583 -39.588 1.00 64.14 C ATOM 856 C LYS A 58 -6.081 -14.634 -40.719 1.00 44.42 C ATOM 857 O LYS A 58 -6.667 -13.583 -40.465 1.00 32.12 O ATOM 858 CB LYS A 58 -6.757 -16.669 -39.397 1.00 2.04 C ATOM 859 CG LYS A 58 -7.157 -17.407 -40.671 1.00 64.13 C ATOM 860 CD LYS A 58 -8.230 -18.477 -40.419 1.00 2.12 C ATOM 861 CE LYS A 58 -9.501 -17.909 -39.772 1.00 51.22 C ATOM 862 NZ LYS A 58 -9.415 -17.861 -38.283 1.00 12.14 N ATOM 0 H LYS A 58 -6.252 -15.057 -37.649 1.00 22.23 H new ATOM 0 HA LYS A 58 -4.733 -16.051 -39.853 1.00 64.14 H new ATOM 0 HB2 LYS A 58 -6.393 -17.397 -38.672 1.00 2.04 H new ATOM 0 HB3 LYS A 58 -7.646 -16.208 -38.967 1.00 2.04 H new ATOM 0 HG2 LYS A 58 -7.529 -16.689 -41.401 1.00 64.13 H new ATOM 0 HG3 LYS A 58 -6.275 -17.877 -41.107 1.00 64.13 H new ATOM 0 HD2 LYS A 58 -8.491 -18.952 -41.365 1.00 2.12 H new ATOM 0 HD3 LYS A 58 -7.817 -19.254 -39.775 1.00 2.12 H new ATOM 0 HE2 LYS A 58 -9.681 -16.904 -40.154 1.00 51.22 H new ATOM 0 HE3 LYS A 58 -10.356 -18.519 -40.063 1.00 51.22 H new ATOM 0 HZ1 LYS A 58 -10.071 -18.557 -37.875 1.00 12.14 H new ATOM 0 HZ2 LYS A 58 -8.444 -18.084 -37.984 1.00 12.14 H new ATOM 0 HZ3 LYS A 58 -9.670 -16.909 -37.951 1.00 12.14 H new ATOM 876 N GLN A 59 -5.760 -14.997 -41.959 1.00 62.31 N ATOM 877 CA GLN A 59 -6.183 -14.218 -43.122 1.00 30.32 C ATOM 878 C GLN A 59 -6.546 -15.160 -44.272 1.00 0.55 C ATOM 879 O GLN A 59 -6.027 -16.275 -44.355 1.00 71.44 O ATOM 880 CB GLN A 59 -5.087 -13.221 -43.536 1.00 41.23 C ATOM 881 CG GLN A 59 -3.846 -13.853 -44.156 1.00 10.35 C ATOM 882 CD GLN A 59 -2.670 -12.890 -44.207 1.00 72.33 C ATOM 883 OE1 GLN A 59 -1.827 -12.875 -43.309 1.00 24.21 O ATOM 884 NE2 GLN A 59 -2.630 -12.049 -45.228 1.00 55.00 N ATOM 0 H GLN A 59 -5.209 -15.825 -42.185 1.00 62.31 H new ATOM 0 HA GLN A 59 -7.069 -13.639 -42.861 1.00 30.32 H new ATOM 0 HB2 GLN A 59 -5.511 -12.513 -44.248 1.00 41.23 H new ATOM 0 HB3 GLN A 59 -4.786 -12.649 -42.658 1.00 41.23 H new ATOM 0 HG2 GLN A 59 -3.565 -14.735 -43.581 1.00 10.35 H new ATOM 0 HG3 GLN A 59 -4.079 -14.191 -45.166 1.00 10.35 H new ATOM 0 HE21 GLN A 59 -3.346 -12.092 -45.953 1.00 55.00 H new ATOM 0 HE22 GLN A 59 -1.883 -11.358 -45.290 1.00 55.00 H new ATOM 893 N PHE A 60 -7.453 -14.718 -45.141 1.00 4.41 N ATOM 894 CA PHE A 60 -7.967 -15.566 -46.224 1.00 50.42 C ATOM 895 C PHE A 60 -7.243 -15.290 -47.540 1.00 13.13 C ATOM 896 O PHE A 60 -7.486 -15.962 -48.546 1.00 51.22 O ATOM 897 CB PHE A 60 -9.485 -15.364 -46.397 1.00 41.42 C ATOM 898 CG PHE A 60 -9.896 -13.944 -46.723 1.00 61.13 C ATOM 899 CD1 PHE A 60 -10.167 -13.034 -45.711 1.00 40.54 C ATOM 900 CD2 PHE A 60 -10.020 -13.524 -48.044 1.00 12.31 C ATOM 901 CE1 PHE A 60 -10.551 -11.740 -46.006 1.00 73.53 C ATOM 902 CE2 PHE A 60 -10.403 -12.230 -48.341 1.00 10.14 C ATOM 903 CZ PHE A 60 -10.669 -11.338 -47.323 1.00 13.11 C ATOM 0 H PHE A 60 -7.849 -13.778 -45.119 1.00 4.41 H new ATOM 0 HA PHE A 60 -7.779 -16.604 -45.948 1.00 50.42 H new ATOM 0 HB2 PHE A 60 -9.838 -16.022 -47.191 1.00 41.42 H new ATOM 0 HB3 PHE A 60 -9.987 -15.673 -45.480 1.00 41.42 H new ATOM 0 HD1 PHE A 60 -10.077 -13.341 -44.680 1.00 40.54 H new ATOM 0 HD2 PHE A 60 -9.815 -14.217 -48.846 1.00 12.31 H new ATOM 0 HE1 PHE A 60 -10.759 -11.043 -45.208 1.00 73.53 H new ATOM 0 HE2 PHE A 60 -10.494 -11.917 -49.371 1.00 10.14 H new ATOM 0 HZ PHE A 60 -10.969 -10.327 -47.555 1.00 13.11 H new ATOM 913 N ASP A 61 -6.361 -14.297 -47.528 1.00 72.13 N ATOM 914 CA ASP A 61 -5.591 -13.924 -48.714 1.00 21.25 C ATOM 915 C ASP A 61 -4.480 -12.967 -48.307 1.00 45.30 C ATOM 916 O ASP A 61 -4.659 -12.162 -47.392 1.00 20.32 O ATOM 917 CB ASP A 61 -6.499 -13.259 -49.764 1.00 71.44 C ATOM 918 CG ASP A 61 -5.790 -12.998 -51.091 1.00 31.53 C ATOM 919 OD1 ASP A 61 -4.987 -12.047 -51.178 1.00 45.10 O ATOM 920 OD2 ASP A 61 -6.047 -13.740 -52.066 1.00 42.41 O ATOM 0 H ASP A 61 -6.159 -13.730 -46.704 1.00 72.13 H new ATOM 0 HA ASP A 61 -5.160 -14.822 -49.156 1.00 21.25 H new ATOM 0 HB2 ASP A 61 -7.366 -13.896 -49.941 1.00 71.44 H new ATOM 0 HB3 ASP A 61 -6.873 -12.315 -49.367 1.00 71.44 H new ATOM 925 N SER A 62 -3.332 -13.070 -48.962 1.00 2.52 N ATOM 926 CA SER A 62 -2.240 -12.144 -48.715 1.00 22.13 C ATOM 927 C SER A 62 -2.058 -11.208 -49.910 1.00 22.13 C ATOM 928 O SER A 62 -1.241 -11.450 -50.803 1.00 25.20 O ATOM 929 CB SER A 62 -0.950 -12.922 -48.411 1.00 73.41 C ATOM 930 OG SER A 62 -0.756 -13.980 -49.337 1.00 51.41 O ATOM 0 H SER A 62 -3.135 -13.782 -49.665 1.00 2.52 H new ATOM 0 HA SER A 62 -2.479 -11.531 -47.846 1.00 22.13 H new ATOM 0 HB2 SER A 62 -0.097 -12.244 -48.446 1.00 73.41 H new ATOM 0 HB3 SER A 62 -0.996 -13.325 -47.399 1.00 73.41 H new ATOM 0 HG SER A 62 -0.828 -13.633 -50.250 1.00 51.41 H new ATOM 936 N SER A 63 -2.831 -10.127 -49.914 1.00 2.54 N ATOM 937 CA SER A 63 -2.755 -9.123 -50.967 1.00 61.15 C ATOM 938 C SER A 63 -1.534 -8.233 -50.733 1.00 30.33 C ATOM 939 O SER A 63 -1.064 -7.531 -51.635 1.00 20.53 O ATOM 940 CB SER A 63 -4.044 -8.296 -50.991 1.00 5.12 C ATOM 941 OG SER A 63 -5.183 -9.130 -51.142 1.00 11.23 O ATOM 0 H SER A 63 -3.523 -9.924 -49.193 1.00 2.54 H new ATOM 0 HA SER A 63 -2.648 -9.611 -51.936 1.00 61.15 H new ATOM 0 HB2 SER A 63 -4.129 -7.722 -50.068 1.00 5.12 H new ATOM 0 HB3 SER A 63 -4.004 -7.578 -51.810 1.00 5.12 H new ATOM 0 HG SER A 63 -4.897 -10.065 -51.210 1.00 11.23 H new ATOM 947 N ARG A 64 -1.034 -8.270 -49.502 1.00 62.05 N ATOM 948 CA ARG A 64 0.208 -7.598 -49.136 1.00 51.31 C ATOM 949 C ARG A 64 1.378 -8.238 -49.883 1.00 11.31 C ATOM 950 O ARG A 64 2.338 -7.567 -50.257 1.00 41.21 O ATOM 951 CB ARG A 64 0.424 -7.691 -47.612 1.00 11.31 C ATOM 952 CG ARG A 64 0.653 -9.117 -47.101 1.00 31.34 C ATOM 953 CD ARG A 64 0.577 -9.206 -45.579 1.00 61.25 C ATOM 954 NE ARG A 64 -0.795 -9.032 -45.089 1.00 63.21 N ATOM 955 CZ ARG A 64 -1.109 -8.638 -43.854 1.00 44.35 C ATOM 956 NH1 ARG A 64 -0.157 -8.325 -42.985 1.00 70.45 N ATOM 957 NH2 ARG A 64 -2.380 -8.548 -43.492 1.00 74.42 N ATOM 0 H ARG A 64 -1.478 -8.767 -48.730 1.00 62.05 H new ATOM 0 HA ARG A 64 0.147 -6.546 -49.414 1.00 51.31 H new ATOM 0 HB2 ARG A 64 1.281 -7.076 -47.339 1.00 11.31 H new ATOM 0 HB3 ARG A 64 -0.445 -7.270 -47.106 1.00 11.31 H new ATOM 0 HG2 ARG A 64 -0.092 -9.782 -47.539 1.00 31.34 H new ATOM 0 HG3 ARG A 64 1.629 -9.468 -47.435 1.00 31.34 H new ATOM 0 HD2 ARG A 64 0.959 -10.173 -45.252 1.00 61.25 H new ATOM 0 HD3 ARG A 64 1.219 -8.444 -45.138 1.00 61.25 H new ATOM 0 HE ARG A 64 -1.560 -9.225 -45.736 1.00 63.21 H new ATOM 0 HH11 ARG A 64 0.824 -8.385 -43.259 1.00 70.45 H new ATOM 0 HH12 ARG A 64 -0.406 -8.025 -42.042 1.00 70.45 H new ATOM 0 HH21 ARG A 64 -3.117 -8.780 -44.157 1.00 74.42 H new ATOM 0 HH22 ARG A 64 -2.621 -8.247 -42.548 1.00 74.42 H new ATOM 971 N SER A 65 1.254 -9.542 -50.127 1.00 10.31 N ATOM 972 CA SER A 65 2.286 -10.325 -50.797 1.00 43.24 C ATOM 973 C SER A 65 2.328 -10.005 -52.293 1.00 30.11 C ATOM 974 O SER A 65 3.357 -10.180 -52.951 1.00 40.21 O ATOM 975 CB SER A 65 2.003 -11.819 -50.573 1.00 13.31 C ATOM 976 OG SER A 65 2.946 -12.648 -51.228 1.00 52.33 O ATOM 0 H SER A 65 0.432 -10.085 -49.864 1.00 10.31 H new ATOM 0 HA SER A 65 3.259 -10.070 -50.378 1.00 43.24 H new ATOM 0 HB2 SER A 65 2.015 -12.033 -49.504 1.00 13.31 H new ATOM 0 HB3 SER A 65 1.002 -12.055 -50.934 1.00 13.31 H new ATOM 0 HG SER A 65 2.729 -13.588 -51.058 1.00 52.33 H new ATOM 982 N ARG A 66 1.206 -9.526 -52.826 1.00 45.31 N ATOM 983 CA ARG A 66 1.099 -9.240 -54.253 1.00 14.00 C ATOM 984 C ARG A 66 1.652 -7.848 -54.566 1.00 1.23 C ATOM 985 O ARG A 66 2.149 -7.600 -55.665 1.00 33.32 O ATOM 986 CB ARG A 66 -0.365 -9.332 -54.710 1.00 41.14 C ATOM 987 CG ARG A 66 -1.097 -10.583 -54.225 1.00 42.33 C ATOM 988 CD ARG A 66 -0.350 -11.868 -54.570 1.00 1.51 C ATOM 989 NE ARG A 66 -0.140 -12.031 -56.010 1.00 14.23 N ATOM 990 CZ ARG A 66 0.401 -13.118 -56.566 1.00 13.50 C ATOM 991 NH1 ARG A 66 0.738 -14.159 -55.811 1.00 2.55 N ATOM 992 NH2 ARG A 66 0.582 -13.171 -57.880 1.00 75.44 N ATOM 0 H ARG A 66 0.360 -9.328 -52.291 1.00 45.31 H new ATOM 0 HA ARG A 66 1.687 -9.982 -54.793 1.00 14.00 H new ATOM 0 HB2 ARG A 66 -0.900 -8.451 -54.355 1.00 41.14 H new ATOM 0 HB3 ARG A 66 -0.396 -9.306 -55.799 1.00 41.14 H new ATOM 0 HG2 ARG A 66 -1.233 -10.525 -53.145 1.00 42.33 H new ATOM 0 HG3 ARG A 66 -2.091 -10.614 -54.670 1.00 42.33 H new ATOM 0 HD2 ARG A 66 0.615 -11.869 -54.064 1.00 1.51 H new ATOM 0 HD3 ARG A 66 -0.910 -12.722 -54.190 1.00 1.51 H new ATOM 0 HE ARG A 66 -0.424 -11.269 -56.625 1.00 14.23 H new ATOM 0 HH11 ARG A 66 0.584 -14.129 -54.803 1.00 2.55 H new ATOM 0 HH12 ARG A 66 1.151 -14.987 -56.240 1.00 2.55 H new ATOM 0 HH21 ARG A 66 0.308 -12.382 -58.465 1.00 75.44 H new ATOM 0 HH22 ARG A 66 0.995 -14.001 -58.305 1.00 75.44 H new ATOM 1006 N GLY A 67 1.568 -6.949 -53.584 1.00 34.51 N ATOM 1007 CA GLY A 67 2.003 -5.571 -53.778 1.00 34.10 C ATOM 1008 C GLY A 67 1.245 -4.882 -54.903 1.00 63.33 C ATOM 1009 O GLY A 67 1.737 -3.930 -55.510 1.00 1.24 O ATOM 0 H GLY A 67 1.205 -7.152 -52.653 1.00 34.51 H new ATOM 0 HA2 GLY A 67 1.862 -5.013 -52.852 1.00 34.10 H new ATOM 0 HA3 GLY A 67 3.070 -5.556 -53.999 1.00 34.10 H new ATOM 1013 N LYS A 68 0.038 -5.371 -55.167 1.00 75.34 N ATOM 1014 CA LYS A 68 -0.780 -4.885 -56.271 1.00 45.14 C ATOM 1015 C LYS A 68 -1.670 -3.723 -55.819 1.00 23.21 C ATOM 1016 O LYS A 68 -2.351 -3.823 -54.794 1.00 4.34 O ATOM 1017 CB LYS A 68 -1.644 -6.032 -56.816 1.00 40.24 C ATOM 1018 CG LYS A 68 -2.525 -5.645 -58.002 1.00 60.33 C ATOM 1019 CD LYS A 68 -3.342 -6.832 -58.502 1.00 74.22 C ATOM 1020 CE LYS A 68 -4.232 -6.456 -59.679 1.00 64.14 C ATOM 1021 NZ LYS A 68 -4.958 -7.637 -60.216 1.00 71.10 N ATOM 0 H LYS A 68 -0.400 -6.114 -54.622 1.00 75.34 H new ATOM 0 HA LYS A 68 -0.122 -4.521 -57.060 1.00 45.14 H new ATOM 0 HB2 LYS A 68 -0.992 -6.852 -57.115 1.00 40.24 H new ATOM 0 HB3 LYS A 68 -2.279 -6.406 -56.013 1.00 40.24 H new ATOM 0 HG2 LYS A 68 -3.196 -4.837 -57.710 1.00 60.33 H new ATOM 0 HG3 LYS A 68 -1.901 -5.264 -58.811 1.00 60.33 H new ATOM 0 HD2 LYS A 68 -2.669 -7.636 -58.799 1.00 74.22 H new ATOM 0 HD3 LYS A 68 -3.959 -7.216 -57.689 1.00 74.22 H new ATOM 0 HE2 LYS A 68 -4.950 -5.699 -59.365 1.00 64.14 H new ATOM 0 HE3 LYS A 68 -3.625 -6.012 -60.468 1.00 64.14 H new ATOM 0 HZ1 LYS A 68 -5.554 -7.344 -61.016 1.00 71.10 H new ATOM 0 HZ2 LYS A 68 -4.272 -8.349 -60.538 1.00 71.10 H new ATOM 0 HZ3 LYS A 68 -5.556 -8.045 -59.470 1.00 71.10 H new ATOM 1035 N PRO A 69 -1.651 -2.599 -56.561 1.00 1.43 N ATOM 1036 CA PRO A 69 -2.513 -1.450 -56.287 1.00 41.05 C ATOM 1037 C PRO A 69 -3.876 -1.560 -56.986 1.00 63.34 C ATOM 1038 O PRO A 69 -4.024 -2.264 -57.990 1.00 73.21 O ATOM 1039 CB PRO A 69 -1.697 -0.294 -56.865 1.00 65.54 C ATOM 1040 CG PRO A 69 -1.026 -0.889 -58.059 1.00 33.42 C ATOM 1041 CD PRO A 69 -0.759 -2.339 -57.715 1.00 34.41 C ATOM 0 HA PRO A 69 -2.757 -1.345 -55.230 1.00 41.05 H new ATOM 0 HB2 PRO A 69 -2.335 0.546 -57.142 1.00 65.54 H new ATOM 0 HB3 PRO A 69 -0.971 0.082 -56.144 1.00 65.54 H new ATOM 0 HG2 PRO A 69 -1.660 -0.809 -58.942 1.00 33.42 H new ATOM 0 HG3 PRO A 69 -0.097 -0.365 -58.285 1.00 33.42 H new ATOM 0 HD2 PRO A 69 -0.987 -2.997 -58.553 1.00 34.41 H new ATOM 0 HD3 PRO A 69 0.287 -2.503 -57.457 1.00 34.41 H new ATOM 1049 N PHE A 70 -4.858 -0.851 -56.443 1.00 41.12 N ATOM 1050 CA PHE A 70 -6.208 -0.799 -56.993 1.00 52.04 C ATOM 1051 C PHE A 70 -6.683 0.651 -57.000 1.00 55.23 C ATOM 1052 O PHE A 70 -6.575 1.340 -55.989 1.00 31.10 O ATOM 1053 CB PHE A 70 -7.155 -1.670 -56.151 1.00 51.25 C ATOM 1054 CG PHE A 70 -8.602 -1.595 -56.576 1.00 44.01 C ATOM 1055 CD1 PHE A 70 -9.054 -2.303 -57.682 1.00 50.33 C ATOM 1056 CD2 PHE A 70 -9.511 -0.817 -55.869 1.00 54.02 C ATOM 1057 CE1 PHE A 70 -10.378 -2.234 -58.072 1.00 71.23 C ATOM 1058 CE2 PHE A 70 -10.834 -0.746 -56.256 1.00 42.20 C ATOM 1059 CZ PHE A 70 -11.269 -1.454 -57.359 1.00 20.44 C ATOM 0 H PHE A 70 -4.739 -0.290 -55.600 1.00 41.12 H new ATOM 0 HA PHE A 70 -6.206 -1.185 -58.012 1.00 52.04 H new ATOM 0 HB2 PHE A 70 -6.824 -2.707 -56.207 1.00 51.25 H new ATOM 0 HB3 PHE A 70 -7.078 -1.367 -55.107 1.00 51.25 H new ATOM 0 HD1 PHE A 70 -8.363 -2.914 -58.244 1.00 50.33 H new ATOM 0 HD2 PHE A 70 -9.178 -0.261 -55.005 1.00 54.02 H new ATOM 0 HE1 PHE A 70 -10.717 -2.790 -58.934 1.00 71.23 H new ATOM 0 HE2 PHE A 70 -11.529 -0.137 -55.696 1.00 42.20 H new ATOM 0 HZ PHE A 70 -12.304 -1.398 -57.664 1.00 20.44 H new ATOM 1069 N GLN A 71 -7.194 1.120 -58.132 1.00 45.33 N ATOM 1070 CA GLN A 71 -7.605 2.516 -58.261 1.00 52.35 C ATOM 1071 C GLN A 71 -9.127 2.631 -58.295 1.00 12.44 C ATOM 1072 O GLN A 71 -9.802 1.822 -58.937 1.00 73.44 O ATOM 1073 CB GLN A 71 -7.002 3.133 -59.530 1.00 41.45 C ATOM 1074 CG GLN A 71 -5.484 3.012 -59.604 1.00 24.22 C ATOM 1075 CD GLN A 71 -4.908 3.660 -60.848 1.00 52.53 C ATOM 1076 OE1 GLN A 71 -4.782 3.023 -61.893 1.00 33.44 O ATOM 1077 NE2 GLN A 71 -4.550 4.928 -60.741 1.00 75.03 N ATOM 0 H GLN A 71 -7.334 0.558 -58.972 1.00 45.33 H new ATOM 0 HA GLN A 71 -7.237 3.062 -57.392 1.00 52.35 H new ATOM 0 HB2 GLN A 71 -7.440 2.649 -60.403 1.00 41.45 H new ATOM 0 HB3 GLN A 71 -7.277 4.187 -59.578 1.00 41.45 H new ATOM 0 HG2 GLN A 71 -5.043 3.474 -58.721 1.00 24.22 H new ATOM 0 HG3 GLN A 71 -5.206 1.958 -59.586 1.00 24.22 H new ATOM 0 HE21 GLN A 71 -4.672 5.419 -59.855 1.00 75.03 H new ATOM 0 HE22 GLN A 71 -4.152 5.415 -61.544 1.00 75.03 H new ATOM 1086 N PHE A 72 -9.658 3.629 -57.593 1.00 73.33 N ATOM 1087 CA PHE A 72 -11.097 3.900 -57.607 1.00 2.55 C ATOM 1088 C PHE A 72 -11.360 5.353 -57.217 1.00 20.34 C ATOM 1089 O PHE A 72 -10.483 6.023 -56.672 1.00 61.22 O ATOM 1090 CB PHE A 72 -11.853 2.946 -56.660 1.00 25.13 C ATOM 1091 CG PHE A 72 -11.700 3.277 -55.194 1.00 43.44 C ATOM 1092 CD1 PHE A 72 -10.556 2.918 -54.498 1.00 1.40 C ATOM 1093 CD2 PHE A 72 -12.710 3.946 -54.512 1.00 73.40 C ATOM 1094 CE1 PHE A 72 -10.422 3.223 -53.156 1.00 5.31 C ATOM 1095 CE2 PHE A 72 -12.578 4.252 -53.173 1.00 1.11 C ATOM 1096 CZ PHE A 72 -11.432 3.890 -52.493 1.00 32.03 C ATOM 0 H PHE A 72 -9.116 4.264 -57.007 1.00 73.33 H new ATOM 0 HA PHE A 72 -11.466 3.730 -58.619 1.00 2.55 H new ATOM 0 HB2 PHE A 72 -12.912 2.963 -56.916 1.00 25.13 H new ATOM 0 HB3 PHE A 72 -11.500 1.929 -56.830 1.00 25.13 H new ATOM 0 HD1 PHE A 72 -9.761 2.395 -55.009 1.00 1.40 H new ATOM 0 HD2 PHE A 72 -13.610 4.230 -55.037 1.00 73.40 H new ATOM 0 HE1 PHE A 72 -9.525 2.939 -52.626 1.00 5.31 H new ATOM 0 HE2 PHE A 72 -13.370 4.774 -52.657 1.00 1.11 H new ATOM 0 HZ PHE A 72 -11.326 4.128 -51.445 1.00 32.03 H new ATOM 1106 N THR A 73 -12.560 5.836 -57.506 1.00 51.11 N ATOM 1107 CA THR A 73 -12.950 7.190 -57.142 1.00 1.20 C ATOM 1108 C THR A 73 -13.414 7.232 -55.687 1.00 62.13 C ATOM 1109 O THR A 73 -14.456 6.667 -55.344 1.00 74.23 O ATOM 1110 CB THR A 73 -14.074 7.712 -58.068 1.00 52.41 C ATOM 1111 OG1 THR A 73 -13.671 7.580 -59.442 1.00 54.54 O ATOM 1112 CG2 THR A 73 -14.399 9.173 -57.770 1.00 75.20 C ATOM 0 H THR A 73 -13.283 5.307 -57.994 1.00 51.11 H new ATOM 0 HA THR A 73 -12.080 7.836 -57.260 1.00 1.20 H new ATOM 0 HB THR A 73 -14.969 7.117 -57.886 1.00 52.41 H new ATOM 0 HG1 THR A 73 -14.386 7.910 -60.026 1.00 54.54 H new ATOM 0 HG21 THR A 73 -15.192 9.512 -58.436 1.00 75.20 H new ATOM 0 HG22 THR A 73 -14.728 9.269 -56.735 1.00 75.20 H new ATOM 0 HG23 THR A 73 -13.509 9.783 -57.926 1.00 75.20 H new ATOM 1120 N LEU A 74 -12.621 7.877 -54.835 1.00 41.42 N ATOM 1121 CA LEU A 74 -12.942 8.008 -53.417 1.00 2.01 C ATOM 1122 C LEU A 74 -14.250 8.783 -53.240 1.00 50.22 C ATOM 1123 O LEU A 74 -14.535 9.712 -54.000 1.00 44.43 O ATOM 1124 CB LEU A 74 -11.792 8.720 -52.686 1.00 4.02 C ATOM 1125 CG LEU A 74 -11.953 8.856 -51.162 1.00 75.13 C ATOM 1126 CD1 LEU A 74 -12.095 7.486 -50.503 1.00 51.31 C ATOM 1127 CD2 LEU A 74 -10.773 9.622 -50.567 1.00 40.31 C ATOM 0 H LEU A 74 -11.743 8.321 -55.106 1.00 41.42 H new ATOM 0 HA LEU A 74 -13.070 7.014 -52.987 1.00 2.01 H new ATOM 0 HB2 LEU A 74 -10.867 8.179 -52.888 1.00 4.02 H new ATOM 0 HB3 LEU A 74 -11.678 9.717 -53.111 1.00 4.02 H new ATOM 0 HG LEU A 74 -12.865 9.419 -50.965 1.00 75.13 H new ATOM 0 HD11 LEU A 74 -12.207 7.610 -49.426 1.00 51.31 H new ATOM 0 HD12 LEU A 74 -12.973 6.979 -50.903 1.00 51.31 H new ATOM 0 HD13 LEU A 74 -11.206 6.889 -50.709 1.00 51.31 H new ATOM 0 HD21 LEU A 74 -10.903 9.709 -49.488 1.00 40.31 H new ATOM 0 HD22 LEU A 74 -9.848 9.087 -50.779 1.00 40.31 H new ATOM 0 HD23 LEU A 74 -10.726 10.617 -51.008 1.00 40.31 H new ATOM 1139 N GLY A 75 -15.037 8.400 -52.241 1.00 21.12 N ATOM 1140 CA GLY A 75 -16.328 9.030 -52.020 1.00 51.53 C ATOM 1141 C GLY A 75 -17.375 8.504 -52.983 1.00 33.31 C ATOM 1142 O GLY A 75 -18.166 9.272 -53.543 1.00 41.10 O ATOM 0 H GLY A 75 -14.804 7.662 -51.577 1.00 21.12 H new ATOM 0 HA2 GLY A 75 -16.651 8.849 -50.995 1.00 51.53 H new ATOM 0 HA3 GLY A 75 -16.232 10.109 -52.139 1.00 51.53 H new ATOM 1146 N ALA A 76 -17.378 7.187 -53.181 1.00 23.41 N ATOM 1147 CA ALA A 76 -18.301 6.540 -54.108 1.00 10.02 C ATOM 1148 C ALA A 76 -18.631 5.128 -53.635 1.00 2.44 C ATOM 1149 O ALA A 76 -17.834 4.494 -52.941 1.00 74.43 O ATOM 1150 CB ALA A 76 -17.709 6.512 -55.516 1.00 13.12 C ATOM 0 H ALA A 76 -16.745 6.543 -52.706 1.00 23.41 H new ATOM 0 HA ALA A 76 -19.226 7.116 -54.135 1.00 10.02 H new ATOM 0 HB1 ALA A 76 -18.409 6.026 -56.196 1.00 13.12 H new ATOM 0 HB2 ALA A 76 -17.524 7.532 -55.853 1.00 13.12 H new ATOM 0 HB3 ALA A 76 -16.770 5.958 -55.505 1.00 13.12 H new ATOM 1156 N GLY A 77 -19.799 4.634 -54.035 1.00 45.30 N ATOM 1157 CA GLY A 77 -20.241 3.306 -53.635 1.00 54.35 C ATOM 1158 C GLY A 77 -19.603 2.205 -54.459 1.00 33.32 C ATOM 1159 O GLY A 77 -20.029 1.050 -54.407 1.00 54.41 O ATOM 0 H GLY A 77 -20.455 5.134 -54.635 1.00 45.30 H new ATOM 0 HA2 GLY A 77 -20.004 3.150 -52.582 1.00 54.35 H new ATOM 0 HA3 GLY A 77 -21.325 3.244 -53.730 1.00 54.35 H new ATOM 1163 N GLU A 78 -18.585 2.567 -55.234 1.00 32.55 N ATOM 1164 CA GLU A 78 -17.843 1.601 -56.037 1.00 75.44 C ATOM 1165 C GLU A 78 -17.146 0.578 -55.141 1.00 54.02 C ATOM 1166 O GLU A 78 -16.830 -0.534 -55.572 1.00 2.52 O ATOM 1167 CB GLU A 78 -16.827 2.330 -56.923 1.00 2.50 C ATOM 1168 CG GLU A 78 -17.469 3.266 -57.946 1.00 4.04 C ATOM 1169 CD GLU A 78 -18.353 2.528 -58.939 1.00 63.04 C ATOM 1170 OE1 GLU A 78 -17.830 2.047 -59.966 1.00 1.53 O ATOM 1171 OE2 GLU A 78 -19.577 2.419 -58.703 1.00 75.43 O ATOM 0 H GLU A 78 -18.254 3.528 -55.323 1.00 32.55 H new ATOM 0 HA GLU A 78 -18.543 1.064 -56.677 1.00 75.44 H new ATOM 0 HB2 GLU A 78 -16.152 2.906 -56.290 1.00 2.50 H new ATOM 0 HB3 GLU A 78 -16.220 1.592 -57.448 1.00 2.50 H new ATOM 0 HG2 GLU A 78 -18.063 4.016 -57.424 1.00 4.04 H new ATOM 0 HG3 GLU A 78 -16.687 3.798 -58.487 1.00 4.04 H new ATOM 1178 N VAL A 79 -16.903 0.970 -53.899 1.00 13.45 N ATOM 1179 CA VAL A 79 -16.368 0.074 -52.883 1.00 1.34 C ATOM 1180 C VAL A 79 -17.241 0.153 -51.638 1.00 20.50 C ATOM 1181 O VAL A 79 -18.164 0.971 -51.575 1.00 12.22 O ATOM 1182 CB VAL A 79 -14.906 0.429 -52.503 1.00 22.51 C ATOM 1183 CG1 VAL A 79 -13.972 0.276 -53.703 1.00 2.53 C ATOM 1184 CG2 VAL A 79 -14.821 1.843 -51.922 1.00 32.01 C ATOM 0 H VAL A 79 -17.071 1.919 -53.566 1.00 13.45 H new ATOM 0 HA VAL A 79 -16.370 -0.935 -53.294 1.00 1.34 H new ATOM 0 HB VAL A 79 -14.581 -0.273 -51.735 1.00 22.51 H new ATOM 0 HG11 VAL A 79 -12.955 0.531 -53.407 1.00 2.53 H new ATOM 0 HG12 VAL A 79 -13.999 -0.755 -54.056 1.00 2.53 H new ATOM 0 HG13 VAL A 79 -14.295 0.942 -54.503 1.00 2.53 H new ATOM 0 HG21 VAL A 79 -13.786 2.069 -51.663 1.00 32.01 H new ATOM 0 HG22 VAL A 79 -15.175 2.562 -52.661 1.00 32.01 H new ATOM 0 HG23 VAL A 79 -15.441 1.907 -51.028 1.00 32.01 H new ATOM 1194 N ILE A 80 -16.964 -0.693 -50.657 1.00 75.42 N ATOM 1195 CA ILE A 80 -17.676 -0.642 -49.388 1.00 23.41 C ATOM 1196 C ILE A 80 -17.207 0.569 -48.581 1.00 60.52 C ATOM 1197 O ILE A 80 -16.011 0.891 -48.570 1.00 13.14 O ATOM 1198 CB ILE A 80 -17.484 -1.939 -48.558 1.00 73.33 C ATOM 1199 CG1 ILE A 80 -15.995 -2.176 -48.243 1.00 72.25 C ATOM 1200 CG2 ILE A 80 -18.078 -3.141 -49.298 1.00 24.01 C ATOM 1201 CD1 ILE A 80 -15.734 -3.392 -47.381 1.00 43.25 C ATOM 0 H ILE A 80 -16.253 -1.422 -50.715 1.00 75.42 H new ATOM 0 HA ILE A 80 -18.739 -0.551 -49.609 1.00 23.41 H new ATOM 0 HB ILE A 80 -18.013 -1.819 -47.612 1.00 73.33 H new ATOM 0 HG12 ILE A 80 -15.449 -2.284 -49.180 1.00 72.25 H new ATOM 0 HG13 ILE A 80 -15.596 -1.295 -47.741 1.00 72.25 H new ATOM 0 HG21 ILE A 80 -17.935 -4.042 -48.702 1.00 24.01 H new ATOM 0 HG22 ILE A 80 -19.144 -2.978 -49.460 1.00 24.01 H new ATOM 0 HG23 ILE A 80 -17.579 -3.259 -50.260 1.00 24.01 H new ATOM 0 HD11 ILE A 80 -14.663 -3.490 -47.204 1.00 43.25 H new ATOM 0 HD12 ILE A 80 -16.250 -3.280 -46.428 1.00 43.25 H new ATOM 0 HD13 ILE A 80 -16.101 -4.284 -47.889 1.00 43.25 H new ATOM 1213 N LYS A 81 -18.143 1.242 -47.912 1.00 23.20 N ATOM 1214 CA LYS A 81 -17.822 2.445 -47.144 1.00 11.25 C ATOM 1215 C LYS A 81 -16.776 2.165 -46.068 1.00 2.21 C ATOM 1216 O LYS A 81 -16.173 3.092 -45.531 1.00 14.32 O ATOM 1217 CB LYS A 81 -19.086 3.058 -46.524 1.00 0.11 C ATOM 1218 CG LYS A 81 -19.951 3.824 -47.523 1.00 41.11 C ATOM 1219 CD LYS A 81 -19.147 4.915 -48.234 1.00 62.14 C ATOM 1220 CE LYS A 81 -20.021 5.800 -49.117 1.00 73.31 C ATOM 1221 NZ LYS A 81 -20.999 6.586 -48.319 1.00 30.33 N ATOM 0 H LYS A 81 -19.127 0.976 -47.886 1.00 23.20 H new ATOM 0 HA LYS A 81 -17.396 3.168 -47.840 1.00 11.25 H new ATOM 0 HB2 LYS A 81 -19.682 2.263 -46.075 1.00 0.11 H new ATOM 0 HB3 LYS A 81 -18.795 3.731 -45.718 1.00 0.11 H new ATOM 0 HG2 LYS A 81 -20.359 3.132 -48.260 1.00 41.11 H new ATOM 0 HG3 LYS A 81 -20.798 4.273 -47.004 1.00 41.11 H new ATOM 0 HD2 LYS A 81 -18.642 5.533 -47.491 1.00 62.14 H new ATOM 0 HD3 LYS A 81 -18.371 4.452 -48.843 1.00 62.14 H new ATOM 0 HE2 LYS A 81 -19.389 6.480 -49.688 1.00 73.31 H new ATOM 0 HE3 LYS A 81 -20.555 5.180 -49.837 1.00 73.31 H new ATOM 0 HZ1 LYS A 81 -21.418 7.327 -48.916 1.00 30.33 H new ATOM 0 HZ2 LYS A 81 -21.750 5.956 -47.972 1.00 30.33 H new ATOM 0 HZ3 LYS A 81 -20.514 7.025 -47.511 1.00 30.33 H new ATOM 1235 N GLY A 82 -16.570 0.891 -45.746 1.00 34.43 N ATOM 1236 CA GLY A 82 -15.480 0.524 -44.863 1.00 31.53 C ATOM 1237 C GLY A 82 -14.137 0.899 -45.464 1.00 11.44 C ATOM 1238 O GLY A 82 -13.338 1.604 -44.842 1.00 11.05 O ATOM 0 H GLY A 82 -17.136 0.111 -46.079 1.00 34.43 H new ATOM 0 HA2 GLY A 82 -15.603 1.023 -43.902 1.00 31.53 H new ATOM 0 HA3 GLY A 82 -15.509 -0.549 -44.671 1.00 31.53 H new ATOM 1242 N TRP A 83 -13.907 0.448 -46.696 1.00 20.04 N ATOM 1243 CA TRP A 83 -12.671 0.753 -47.410 1.00 54.32 C ATOM 1244 C TRP A 83 -12.604 2.240 -47.729 1.00 71.34 C ATOM 1245 O TRP A 83 -11.552 2.867 -47.589 1.00 52.20 O ATOM 1246 CB TRP A 83 -12.574 -0.055 -48.709 1.00 1.15 C ATOM 1247 CG TRP A 83 -12.438 -1.537 -48.508 1.00 60.24 C ATOM 1248 CD1 TRP A 83 -12.124 -2.190 -47.348 1.00 62.11 C ATOM 1249 CD2 TRP A 83 -12.598 -2.552 -49.508 1.00 23.23 C ATOM 1250 NE1 TRP A 83 -12.096 -3.545 -47.566 1.00 5.04 N ATOM 1251 CE2 TRP A 83 -12.380 -3.792 -48.883 1.00 4.34 C ATOM 1252 CE3 TRP A 83 -12.913 -2.531 -50.871 1.00 42.12 C ATOM 1253 CZ2 TRP A 83 -12.462 -4.999 -49.572 1.00 13.44 C ATOM 1254 CZ3 TRP A 83 -12.994 -3.729 -51.555 1.00 3.14 C ATOM 1255 CH2 TRP A 83 -12.771 -4.949 -50.904 1.00 54.32 C ATOM 0 H TRP A 83 -14.563 -0.131 -47.220 1.00 20.04 H new ATOM 0 HA TRP A 83 -11.834 0.480 -46.767 1.00 54.32 H new ATOM 0 HB2 TRP A 83 -13.463 0.138 -49.310 1.00 1.15 H new ATOM 0 HB3 TRP A 83 -11.718 0.302 -49.282 1.00 1.15 H new ATOM 0 HD1 TRP A 83 -11.927 -1.710 -46.401 1.00 62.11 H new ATOM 0 HE1 TRP A 83 -11.896 -4.254 -46.861 1.00 5.04 H new ATOM 0 HE3 TRP A 83 -13.090 -1.595 -51.380 1.00 42.12 H new ATOM 0 HZ2 TRP A 83 -12.288 -5.941 -49.073 1.00 13.44 H new ATOM 0 HZ3 TRP A 83 -13.233 -3.725 -52.608 1.00 3.14 H new ATOM 0 HH2 TRP A 83 -12.844 -5.869 -51.465 1.00 54.32 H new ATOM 1266 N ASP A 84 -13.741 2.787 -48.155 1.00 72.43 N ATOM 1267 CA ASP A 84 -13.845 4.205 -48.502 1.00 32.24 C ATOM 1268 C ASP A 84 -13.330 5.080 -47.358 1.00 32.32 C ATOM 1269 O ASP A 84 -12.403 5.873 -47.536 1.00 11.55 O ATOM 1270 CB ASP A 84 -15.307 4.547 -48.823 1.00 51.14 C ATOM 1271 CG ASP A 84 -15.535 6.026 -49.107 1.00 24.20 C ATOM 1272 OD1 ASP A 84 -15.350 6.449 -50.269 1.00 41.55 O ATOM 1273 OD2 ASP A 84 -15.926 6.764 -48.175 1.00 3.24 O ATOM 0 H ASP A 84 -14.610 2.266 -48.269 1.00 72.43 H new ATOM 0 HA ASP A 84 -13.229 4.402 -49.380 1.00 32.24 H new ATOM 0 HB2 ASP A 84 -15.627 3.965 -49.688 1.00 51.14 H new ATOM 0 HB3 ASP A 84 -15.935 4.245 -47.985 1.00 51.14 H new ATOM 1278 N GLN A 85 -13.896 4.883 -46.170 1.00 53.44 N ATOM 1279 CA GLN A 85 -13.483 5.636 -44.987 1.00 73.31 C ATOM 1280 C GLN A 85 -12.046 5.292 -44.604 1.00 50.41 C ATOM 1281 O GLN A 85 -11.262 6.176 -44.239 1.00 43.23 O ATOM 1282 CB GLN A 85 -14.426 5.347 -43.812 1.00 11.22 C ATOM 1283 CG GLN A 85 -15.850 5.844 -44.032 1.00 25.14 C ATOM 1284 CD GLN A 85 -16.794 5.406 -42.927 1.00 22.14 C ATOM 1285 OE1 GLN A 85 -16.964 6.099 -41.923 1.00 20.15 O ATOM 1286 NE2 GLN A 85 -17.408 4.245 -43.099 1.00 2.41 N ATOM 0 H GLN A 85 -14.642 4.208 -46.000 1.00 53.44 H new ATOM 0 HA GLN A 85 -13.534 6.699 -45.225 1.00 73.31 H new ATOM 0 HB2 GLN A 85 -14.450 4.272 -43.633 1.00 11.22 H new ATOM 0 HB3 GLN A 85 -14.023 5.812 -42.912 1.00 11.22 H new ATOM 0 HG2 GLN A 85 -15.847 6.932 -44.093 1.00 25.14 H new ATOM 0 HG3 GLN A 85 -16.218 5.472 -44.988 1.00 25.14 H new ATOM 0 HE21 GLN A 85 -17.241 3.700 -43.945 1.00 2.41 H new ATOM 0 HE22 GLN A 85 -18.048 3.896 -42.386 1.00 2.41 H new ATOM 1295 N GLY A 86 -11.708 4.007 -44.705 1.00 70.40 N ATOM 1296 CA GLY A 86 -10.373 3.547 -44.358 1.00 62.34 C ATOM 1297 C GLY A 86 -9.282 4.328 -45.071 1.00 13.43 C ATOM 1298 O GLY A 86 -8.378 4.872 -44.436 1.00 1.43 O ATOM 0 H GLY A 86 -12.340 3.273 -45.023 1.00 70.40 H new ATOM 0 HA2 GLY A 86 -10.232 3.633 -43.281 1.00 62.34 H new ATOM 0 HA3 GLY A 86 -10.281 2.490 -44.608 1.00 62.34 H new ATOM 1302 N VAL A 87 -9.376 4.391 -46.395 1.00 54.13 N ATOM 1303 CA VAL A 87 -8.399 5.118 -47.200 1.00 50.24 C ATOM 1304 C VAL A 87 -8.618 6.632 -47.111 1.00 54.40 C ATOM 1305 O VAL A 87 -7.667 7.409 -47.209 1.00 10.11 O ATOM 1306 CB VAL A 87 -8.428 4.662 -48.682 1.00 55.44 C ATOM 1307 CG1 VAL A 87 -8.087 3.175 -48.783 1.00 34.31 C ATOM 1308 CG2 VAL A 87 -9.780 4.960 -49.329 1.00 62.31 C ATOM 0 H VAL A 87 -10.119 3.947 -46.934 1.00 54.13 H new ATOM 0 HA VAL A 87 -7.416 4.886 -46.790 1.00 50.24 H new ATOM 0 HB VAL A 87 -7.674 5.229 -49.228 1.00 55.44 H new ATOM 0 HG11 VAL A 87 -8.111 2.866 -49.828 1.00 34.31 H new ATOM 0 HG12 VAL A 87 -7.091 3.002 -48.376 1.00 34.31 H new ATOM 0 HG13 VAL A 87 -8.816 2.595 -48.217 1.00 34.31 H new ATOM 0 HG21 VAL A 87 -9.767 4.628 -50.367 1.00 62.31 H new ATOM 0 HG22 VAL A 87 -10.566 4.432 -48.789 1.00 62.31 H new ATOM 0 HG23 VAL A 87 -9.972 6.032 -49.293 1.00 62.31 H new ATOM 1318 N ALA A 88 -9.867 7.046 -46.918 1.00 43.42 N ATOM 1319 CA ALA A 88 -10.200 8.469 -46.833 1.00 63.54 C ATOM 1320 C ALA A 88 -9.610 9.114 -45.580 1.00 61.41 C ATOM 1321 O ALA A 88 -9.293 10.305 -45.580 1.00 62.12 O ATOM 1322 CB ALA A 88 -11.710 8.674 -46.862 1.00 72.34 C ATOM 0 H ALA A 88 -10.666 6.419 -46.817 1.00 43.42 H new ATOM 0 HA ALA A 88 -9.759 8.955 -47.703 1.00 63.54 H new ATOM 0 HB1 ALA A 88 -11.934 9.739 -46.798 1.00 72.34 H new ATOM 0 HB2 ALA A 88 -12.114 8.274 -47.792 1.00 72.34 H new ATOM 0 HB3 ALA A 88 -12.164 8.156 -46.017 1.00 72.34 H new ATOM 1328 N THR A 89 -9.465 8.330 -44.513 1.00 71.10 N ATOM 1329 CA THR A 89 -8.999 8.855 -43.231 1.00 21.14 C ATOM 1330 C THR A 89 -7.465 8.829 -43.121 1.00 72.32 C ATOM 1331 O THR A 89 -6.908 9.124 -42.059 1.00 61.43 O ATOM 1332 CB THR A 89 -9.630 8.074 -42.043 1.00 10.23 C ATOM 1333 OG1 THR A 89 -9.381 8.763 -40.807 1.00 70.41 O ATOM 1334 CG2 THR A 89 -9.084 6.650 -41.951 1.00 23.35 C ATOM 0 H THR A 89 -9.663 7.329 -44.511 1.00 71.10 H new ATOM 0 HA THR A 89 -9.322 9.895 -43.181 1.00 21.14 H new ATOM 0 HB THR A 89 -10.704 8.017 -42.223 1.00 10.23 H new ATOM 0 HG1 THR A 89 -8.503 9.197 -40.846 1.00 70.41 H new ATOM 0 HG21 THR A 89 -9.548 6.136 -41.109 1.00 23.35 H new ATOM 0 HG22 THR A 89 -9.309 6.114 -42.873 1.00 23.35 H new ATOM 0 HG23 THR A 89 -8.004 6.683 -41.805 1.00 23.35 H new ATOM 1342 N MET A 90 -6.778 8.494 -44.214 1.00 23.21 N ATOM 1343 CA MET A 90 -5.312 8.450 -44.214 1.00 52.35 C ATOM 1344 C MET A 90 -4.733 9.387 -45.274 1.00 34.44 C ATOM 1345 O MET A 90 -5.466 10.156 -45.903 1.00 64.34 O ATOM 1346 CB MET A 90 -4.800 7.019 -44.442 1.00 2.44 C ATOM 1347 CG MET A 90 -5.188 6.418 -45.784 1.00 20.52 C ATOM 1348 SD MET A 90 -4.296 4.894 -46.147 1.00 33.02 S ATOM 1349 CE MET A 90 -4.564 3.975 -44.636 1.00 71.33 C ATOM 0 H MET A 90 -7.208 8.250 -45.106 1.00 23.21 H new ATOM 0 HA MET A 90 -4.977 8.786 -43.233 1.00 52.35 H new ATOM 0 HB2 MET A 90 -3.713 7.018 -44.358 1.00 2.44 H new ATOM 0 HB3 MET A 90 -5.182 6.379 -43.647 1.00 2.44 H new ATOM 0 HG2 MET A 90 -6.259 6.218 -45.792 1.00 20.52 H new ATOM 0 HG3 MET A 90 -4.994 7.145 -46.573 1.00 20.52 H new ATOM 0 HE1 MET A 90 -4.228 2.947 -44.771 1.00 71.33 H new ATOM 0 HE2 MET A 90 -4.002 4.437 -43.825 1.00 71.33 H new ATOM 0 HE3 MET A 90 -5.626 3.980 -44.391 1.00 71.33 H new ATOM 1359 N THR A 91 -3.413 9.332 -45.448 1.00 54.53 N ATOM 1360 CA THR A 91 -2.718 10.151 -46.438 1.00 60.53 C ATOM 1361 C THR A 91 -1.899 9.274 -47.388 1.00 4.54 C ATOM 1362 O THR A 91 -1.821 8.059 -47.208 1.00 62.15 O ATOM 1363 CB THR A 91 -1.794 11.186 -45.751 1.00 2.34 C ATOM 1364 OG1 THR A 91 -0.912 10.528 -44.829 1.00 75.53 O ATOM 1365 CG2 THR A 91 -2.611 12.244 -45.015 1.00 54.53 C ATOM 0 H THR A 91 -2.799 8.721 -44.909 1.00 54.53 H new ATOM 0 HA THR A 91 -3.473 10.686 -47.014 1.00 60.53 H new ATOM 0 HB THR A 91 -1.205 11.679 -46.525 1.00 2.34 H new ATOM 0 HG1 THR A 91 -0.820 11.072 -44.019 1.00 75.53 H new ATOM 0 HG21 THR A 91 -1.938 12.959 -44.541 1.00 54.53 H new ATOM 0 HG22 THR A 91 -3.254 12.766 -45.724 1.00 54.53 H new ATOM 0 HG23 THR A 91 -3.226 11.764 -44.253 1.00 54.53 H new ATOM 1373 N LEU A 92 -1.294 9.893 -48.398 1.00 74.01 N ATOM 1374 CA LEU A 92 -0.492 9.168 -49.383 1.00 25.41 C ATOM 1375 C LEU A 92 0.719 8.517 -48.709 1.00 32.24 C ATOM 1376 O LEU A 92 1.431 9.158 -47.932 1.00 31.23 O ATOM 1377 CB LEU A 92 -0.060 10.127 -50.512 1.00 14.43 C ATOM 1378 CG LEU A 92 0.603 9.492 -51.757 1.00 74.12 C ATOM 1379 CD1 LEU A 92 0.542 10.454 -52.942 1.00 1.01 C ATOM 1380 CD2 LEU A 92 2.058 9.106 -51.485 1.00 24.41 C ATOM 0 H LEU A 92 -1.344 10.899 -48.557 1.00 74.01 H new ATOM 0 HA LEU A 92 -1.093 8.372 -49.822 1.00 25.41 H new ATOM 0 HB2 LEU A 92 -0.939 10.680 -50.842 1.00 14.43 H new ATOM 0 HB3 LEU A 92 0.635 10.854 -50.092 1.00 14.43 H new ATOM 0 HG LEU A 92 0.047 8.585 -51.995 1.00 74.12 H new ATOM 0 HD11 LEU A 92 1.013 9.992 -53.810 1.00 1.01 H new ATOM 0 HD12 LEU A 92 -0.499 10.682 -53.172 1.00 1.01 H new ATOM 0 HD13 LEU A 92 1.068 11.375 -52.691 1.00 1.01 H new ATOM 0 HD21 LEU A 92 2.491 8.663 -52.382 1.00 24.41 H new ATOM 0 HD22 LEU A 92 2.625 9.995 -51.210 1.00 24.41 H new ATOM 0 HD23 LEU A 92 2.097 8.384 -50.669 1.00 24.41 H new ATOM 1392 N GLY A 93 0.933 7.237 -49.005 1.00 34.21 N ATOM 1393 CA GLY A 93 2.071 6.508 -48.466 1.00 5.55 C ATOM 1394 C GLY A 93 1.801 5.958 -47.079 1.00 72.25 C ATOM 1395 O GLY A 93 2.708 5.443 -46.420 1.00 64.11 O ATOM 0 H GLY A 93 0.331 6.686 -49.616 1.00 34.21 H new ATOM 0 HA2 GLY A 93 2.324 5.687 -49.137 1.00 5.55 H new ATOM 0 HA3 GLY A 93 2.938 7.168 -48.430 1.00 5.55 H new ATOM 1399 N GLU A 94 0.549 6.054 -46.644 1.00 71.34 N ATOM 1400 CA GLU A 94 0.161 5.650 -45.297 1.00 13.03 C ATOM 1401 C GLU A 94 -0.523 4.286 -45.322 1.00 35.11 C ATOM 1402 O GLU A 94 -1.292 3.985 -46.236 1.00 11.33 O ATOM 1403 CB GLU A 94 -0.763 6.719 -44.696 1.00 33.44 C ATOM 1404 CG GLU A 94 -1.028 6.573 -43.197 1.00 42.11 C ATOM 1405 CD GLU A 94 -1.357 7.906 -42.537 1.00 1.35 C ATOM 1406 OE1 GLU A 94 -2.397 8.506 -42.876 1.00 1.51 O ATOM 1407 OE2 GLU A 94 -0.557 8.377 -41.699 1.00 22.02 O ATOM 0 H GLU A 94 -0.220 6.411 -47.210 1.00 71.34 H new ATOM 0 HA GLU A 94 1.051 5.560 -44.674 1.00 13.03 H new ATOM 0 HB2 GLU A 94 -0.326 7.701 -44.879 1.00 33.44 H new ATOM 0 HB3 GLU A 94 -1.717 6.692 -45.223 1.00 33.44 H new ATOM 0 HG2 GLU A 94 -1.854 5.879 -43.042 1.00 42.11 H new ATOM 0 HG3 GLU A 94 -0.152 6.138 -42.716 1.00 42.11 H new ATOM 1414 N LYS A 95 -0.228 3.462 -44.323 1.00 63.35 N ATOM 1415 CA LYS A 95 -0.824 2.134 -44.203 1.00 74.54 C ATOM 1416 C LYS A 95 -1.337 1.925 -42.785 1.00 2.34 C ATOM 1417 O LYS A 95 -0.660 2.269 -41.814 1.00 24.43 O ATOM 1418 CB LYS A 95 0.189 1.037 -44.583 1.00 62.30 C ATOM 1419 CG LYS A 95 -0.324 -0.384 -44.347 1.00 64.33 C ATOM 1420 CD LYS A 95 0.529 -1.457 -45.036 1.00 65.41 C ATOM 1421 CE LYS A 95 1.976 -1.507 -44.532 1.00 1.24 C ATOM 1422 NZ LYS A 95 2.807 -0.381 -45.045 1.00 21.52 N ATOM 0 H LYS A 95 0.427 3.693 -43.576 1.00 63.35 H new ATOM 0 HA LYS A 95 -1.662 2.065 -44.896 1.00 74.54 H new ATOM 0 HB2 LYS A 95 0.453 1.148 -45.635 1.00 62.30 H new ATOM 0 HB3 LYS A 95 1.103 1.184 -44.007 1.00 62.30 H new ATOM 0 HG2 LYS A 95 -0.348 -0.581 -43.275 1.00 64.33 H new ATOM 0 HG3 LYS A 95 -1.350 -0.458 -44.708 1.00 64.33 H new ATOM 0 HD2 LYS A 95 0.066 -2.432 -44.883 1.00 65.41 H new ATOM 0 HD3 LYS A 95 0.533 -1.272 -46.110 1.00 65.41 H new ATOM 0 HE2 LYS A 95 1.977 -1.486 -43.442 1.00 1.24 H new ATOM 0 HE3 LYS A 95 2.428 -2.452 -44.833 1.00 1.24 H new ATOM 0 HZ1 LYS A 95 3.732 -0.744 -45.351 1.00 21.52 H new ATOM 0 HZ2 LYS A 95 2.326 0.066 -45.852 1.00 21.52 H new ATOM 0 HZ3 LYS A 95 2.943 0.322 -44.291 1.00 21.52 H new ATOM 1436 N ALA A 96 -2.534 1.365 -42.668 1.00 20.50 N ATOM 1437 CA ALA A 96 -3.168 1.174 -41.374 1.00 55.24 C ATOM 1438 C ALA A 96 -4.021 -0.087 -41.360 1.00 22.35 C ATOM 1439 O ALA A 96 -4.557 -0.501 -42.389 1.00 52.31 O ATOM 1440 CB ALA A 96 -4.021 2.389 -41.023 1.00 14.21 C ATOM 0 H ALA A 96 -3.086 1.034 -43.459 1.00 20.50 H new ATOM 0 HA ALA A 96 -2.383 1.060 -40.626 1.00 55.24 H new ATOM 0 HB1 ALA A 96 -4.491 2.235 -40.052 1.00 14.21 H new ATOM 0 HB2 ALA A 96 -3.390 3.277 -40.984 1.00 14.21 H new ATOM 0 HB3 ALA A 96 -4.792 2.524 -41.782 1.00 14.21 H new ATOM 1446 N LEU A 97 -4.141 -0.686 -40.184 1.00 62.33 N ATOM 1447 CA LEU A 97 -5.012 -1.832 -39.973 1.00 4.54 C ATOM 1448 C LEU A 97 -6.378 -1.312 -39.546 1.00 23.15 C ATOM 1449 O LEU A 97 -6.530 -0.771 -38.449 1.00 2.53 O ATOM 1450 CB LEU A 97 -4.394 -2.763 -38.902 1.00 62.35 C ATOM 1451 CG LEU A 97 -5.201 -4.028 -38.533 1.00 23.42 C ATOM 1452 CD1 LEU A 97 -4.270 -5.132 -38.030 1.00 52.33 C ATOM 1453 CD2 LEU A 97 -6.257 -3.721 -37.469 1.00 12.41 C ATOM 0 H LEU A 97 -3.636 -0.390 -39.348 1.00 62.33 H new ATOM 0 HA LEU A 97 -5.123 -2.415 -40.887 1.00 4.54 H new ATOM 0 HB2 LEU A 97 -3.410 -3.077 -39.251 1.00 62.35 H new ATOM 0 HB3 LEU A 97 -4.239 -2.181 -37.993 1.00 62.35 H new ATOM 0 HG LEU A 97 -5.708 -4.370 -39.436 1.00 23.42 H new ATOM 0 HD11 LEU A 97 -4.857 -6.015 -37.775 1.00 52.33 H new ATOM 0 HD12 LEU A 97 -3.552 -5.386 -38.810 1.00 52.33 H new ATOM 0 HD13 LEU A 97 -3.737 -4.783 -37.146 1.00 52.33 H new ATOM 0 HD21 LEU A 97 -6.808 -4.631 -37.230 1.00 12.41 H new ATOM 0 HD22 LEU A 97 -5.769 -3.346 -36.569 1.00 12.41 H new ATOM 0 HD23 LEU A 97 -6.947 -2.967 -37.848 1.00 12.41 H new ATOM 1465 N PHE A 98 -7.360 -1.437 -40.430 1.00 33.43 N ATOM 1466 CA PHE A 98 -8.677 -0.866 -40.193 1.00 22.33 C ATOM 1467 C PHE A 98 -9.704 -1.979 -39.995 1.00 65.01 C ATOM 1468 O PHE A 98 -9.931 -2.797 -40.891 1.00 52.24 O ATOM 1469 CB PHE A 98 -9.072 0.030 -41.378 1.00 14.23 C ATOM 1470 CG PHE A 98 -10.121 1.068 -41.052 1.00 54.22 C ATOM 1471 CD1 PHE A 98 -11.457 0.719 -40.913 1.00 1.45 C ATOM 1472 CD2 PHE A 98 -9.764 2.400 -40.891 1.00 54.43 C ATOM 1473 CE1 PHE A 98 -12.412 1.675 -40.622 1.00 61.40 C ATOM 1474 CE2 PHE A 98 -10.716 3.357 -40.601 1.00 53.50 C ATOM 1475 CZ PHE A 98 -12.041 2.995 -40.466 1.00 43.13 C ATOM 0 H PHE A 98 -7.268 -1.930 -41.318 1.00 33.43 H new ATOM 0 HA PHE A 98 -8.650 -0.260 -39.288 1.00 22.33 H new ATOM 0 HB2 PHE A 98 -8.180 0.536 -41.749 1.00 14.23 H new ATOM 0 HB3 PHE A 98 -9.441 -0.600 -42.187 1.00 14.23 H new ATOM 0 HD1 PHE A 98 -11.754 -0.312 -41.034 1.00 1.45 H new ATOM 0 HD2 PHE A 98 -8.729 2.691 -40.994 1.00 54.43 H new ATOM 0 HE1 PHE A 98 -13.448 1.389 -40.517 1.00 61.40 H new ATOM 0 HE2 PHE A 98 -10.424 4.390 -40.480 1.00 53.50 H new ATOM 0 HZ PHE A 98 -12.786 3.743 -40.239 1.00 43.13 H new ATOM 1485 N THR A 99 -10.308 -2.021 -38.815 1.00 0.52 N ATOM 1486 CA THR A 99 -11.347 -2.998 -38.519 1.00 41.40 C ATOM 1487 C THR A 99 -12.667 -2.580 -39.170 1.00 32.20 C ATOM 1488 O THR A 99 -13.278 -1.588 -38.771 1.00 23.33 O ATOM 1489 CB THR A 99 -11.540 -3.155 -36.995 1.00 71.14 C ATOM 1490 OG1 THR A 99 -10.276 -3.439 -36.382 1.00 32.31 O ATOM 1491 CG2 THR A 99 -12.526 -4.275 -36.669 1.00 45.34 C ATOM 0 H THR A 99 -10.095 -1.387 -38.045 1.00 0.52 H new ATOM 0 HA THR A 99 -11.034 -3.959 -38.928 1.00 41.40 H new ATOM 0 HB THR A 99 -11.947 -2.221 -36.606 1.00 71.14 H new ATOM 0 HG1 THR A 99 -10.423 -3.845 -35.502 1.00 32.31 H new ATOM 0 HG21 THR A 99 -12.638 -4.358 -35.588 1.00 45.34 H new ATOM 0 HG22 THR A 99 -13.493 -4.050 -37.118 1.00 45.34 H new ATOM 0 HG23 THR A 99 -12.151 -5.217 -37.068 1.00 45.34 H new ATOM 1499 N ILE A 100 -13.083 -3.331 -40.183 1.00 21.32 N ATOM 1500 CA ILE A 100 -14.293 -3.023 -40.937 1.00 55.40 C ATOM 1501 C ILE A 100 -15.504 -3.718 -40.313 1.00 14.24 C ATOM 1502 O ILE A 100 -15.601 -4.951 -40.341 1.00 1.33 O ATOM 1503 CB ILE A 100 -14.157 -3.468 -42.419 1.00 12.11 C ATOM 1504 CG1 ILE A 100 -12.893 -2.867 -43.059 1.00 60.11 C ATOM 1505 CG2 ILE A 100 -15.402 -3.078 -43.216 1.00 11.45 C ATOM 1506 CD1 ILE A 100 -12.887 -1.358 -43.120 1.00 2.12 C ATOM 0 H ILE A 100 -12.594 -4.167 -40.504 1.00 21.32 H new ATOM 0 HA ILE A 100 -14.435 -1.943 -40.904 1.00 55.40 H new ATOM 0 HB ILE A 100 -14.063 -4.554 -42.439 1.00 12.11 H new ATOM 0 HG12 ILE A 100 -12.021 -3.200 -42.496 1.00 60.11 H new ATOM 0 HG13 ILE A 100 -12.789 -3.261 -44.070 1.00 60.11 H new ATOM 0 HG21 ILE A 100 -15.286 -3.399 -44.251 1.00 11.45 H new ATOM 0 HG22 ILE A 100 -16.278 -3.561 -42.782 1.00 11.45 H new ATOM 0 HG23 ILE A 100 -15.531 -1.996 -43.183 1.00 11.45 H new ATOM 0 HD11 ILE A 100 -11.962 -1.016 -43.585 1.00 2.12 H new ATOM 0 HD12 ILE A 100 -13.737 -1.014 -43.709 1.00 2.12 H new ATOM 0 HD13 ILE A 100 -12.957 -0.953 -42.111 1.00 2.12 H new ATOM 1518 N PRO A 101 -16.436 -2.945 -39.722 1.00 5.44 N ATOM 1519 CA PRO A 101 -17.684 -3.493 -39.183 1.00 42.13 C ATOM 1520 C PRO A 101 -18.497 -4.179 -40.280 1.00 14.34 C ATOM 1521 O PRO A 101 -18.515 -3.715 -41.423 1.00 14.05 O ATOM 1522 CB PRO A 101 -18.427 -2.261 -38.641 1.00 51.24 C ATOM 1523 CG PRO A 101 -17.371 -1.224 -38.458 1.00 0.42 C ATOM 1524 CD PRO A 101 -16.348 -1.486 -39.531 1.00 24.24 C ATOM 0 HA PRO A 101 -17.513 -4.251 -38.418 1.00 42.13 H new ATOM 0 HB2 PRO A 101 -19.194 -1.924 -39.338 1.00 51.24 H new ATOM 0 HB3 PRO A 101 -18.928 -2.485 -37.699 1.00 51.24 H new ATOM 0 HG2 PRO A 101 -17.788 -0.221 -38.552 1.00 0.42 H new ATOM 0 HG3 PRO A 101 -16.924 -1.292 -37.466 1.00 0.42 H new ATOM 0 HD2 PRO A 101 -16.577 -0.944 -40.449 1.00 24.24 H new ATOM 0 HD3 PRO A 101 -15.349 -1.179 -39.220 1.00 24.24 H new ATOM 1532 N TYR A 102 -19.178 -5.265 -39.924 1.00 62.24 N ATOM 1533 CA TYR A 102 -19.941 -6.061 -40.888 1.00 42.32 C ATOM 1534 C TYR A 102 -20.936 -5.186 -41.651 1.00 55.45 C ATOM 1535 O TYR A 102 -21.160 -5.376 -42.845 1.00 63.25 O ATOM 1536 CB TYR A 102 -20.687 -7.194 -40.166 1.00 22.34 C ATOM 1537 CG TYR A 102 -21.744 -6.712 -39.184 1.00 74.23 C ATOM 1538 CD1 TYR A 102 -21.404 -6.344 -37.888 1.00 34.34 C ATOM 1539 CD2 TYR A 102 -23.081 -6.622 -39.559 1.00 52.43 C ATOM 1540 CE1 TYR A 102 -22.363 -5.899 -37.000 1.00 44.51 C ATOM 1541 CE2 TYR A 102 -24.045 -6.179 -38.678 1.00 11.43 C ATOM 1542 CZ TYR A 102 -23.683 -5.817 -37.400 1.00 3.53 C ATOM 1543 OH TYR A 102 -24.647 -5.379 -36.520 1.00 60.43 O ATOM 0 H TYR A 102 -19.218 -5.618 -38.968 1.00 62.24 H new ATOM 0 HA TYR A 102 -19.241 -6.492 -41.604 1.00 42.32 H new ATOM 0 HB2 TYR A 102 -21.162 -7.834 -40.910 1.00 22.34 H new ATOM 0 HB3 TYR A 102 -19.963 -7.809 -39.632 1.00 22.34 H new ATOM 0 HD1 TYR A 102 -20.374 -6.407 -37.570 1.00 34.34 H new ATOM 0 HD2 TYR A 102 -23.370 -6.905 -40.561 1.00 52.43 H new ATOM 0 HE1 TYR A 102 -22.082 -5.616 -35.996 1.00 44.51 H new ATOM 0 HE2 TYR A 102 -25.077 -6.116 -38.989 1.00 11.43 H new ATOM 0 HH TYR A 102 -25.521 -5.381 -36.964 1.00 60.43 H new ATOM 1553 N GLN A 103 -21.505 -4.212 -40.949 1.00 54.01 N ATOM 1554 CA GLN A 103 -22.516 -3.323 -41.517 1.00 73.14 C ATOM 1555 C GLN A 103 -21.946 -2.494 -42.671 1.00 73.11 C ATOM 1556 O GLN A 103 -22.682 -2.054 -43.552 1.00 64.20 O ATOM 1557 CB GLN A 103 -23.073 -2.406 -40.418 1.00 20.21 C ATOM 1558 CG GLN A 103 -22.003 -1.596 -39.697 1.00 52.32 C ATOM 1559 CD GLN A 103 -22.542 -0.846 -38.492 1.00 12.35 C ATOM 1560 OE1 GLN A 103 -22.555 -1.369 -37.379 1.00 44.32 O ATOM 1561 NE2 GLN A 103 -22.990 0.382 -38.706 1.00 41.41 N ATOM 0 H GLN A 103 -21.281 -4.016 -39.974 1.00 54.01 H new ATOM 0 HA GLN A 103 -23.324 -3.933 -41.921 1.00 73.14 H new ATOM 0 HB2 GLN A 103 -23.798 -1.722 -40.860 1.00 20.21 H new ATOM 0 HB3 GLN A 103 -23.610 -3.012 -39.689 1.00 20.21 H new ATOM 0 HG2 GLN A 103 -21.204 -2.264 -39.375 1.00 52.32 H new ATOM 0 HG3 GLN A 103 -21.562 -0.884 -40.394 1.00 52.32 H new ATOM 0 HE21 GLN A 103 -22.961 0.779 -39.645 1.00 41.41 H new ATOM 0 HE22 GLN A 103 -23.364 0.931 -37.932 1.00 41.41 H new ATOM 1570 N LEU A 104 -20.629 -2.306 -42.667 1.00 62.14 N ATOM 1571 CA LEU A 104 -19.952 -1.509 -43.691 1.00 32.30 C ATOM 1572 C LEU A 104 -19.268 -2.413 -44.715 1.00 63.52 C ATOM 1573 O LEU A 104 -18.403 -1.963 -45.472 1.00 31.32 O ATOM 1574 CB LEU A 104 -18.917 -0.580 -43.039 1.00 72.14 C ATOM 1575 CG LEU A 104 -19.482 0.431 -42.026 1.00 20.21 C ATOM 1576 CD1 LEU A 104 -18.365 1.286 -41.434 1.00 1.30 C ATOM 1577 CD2 LEU A 104 -20.549 1.308 -42.678 1.00 71.42 C ATOM 0 H LEU A 104 -20.004 -2.697 -41.962 1.00 62.14 H new ATOM 0 HA LEU A 104 -20.700 -0.906 -44.206 1.00 32.30 H new ATOM 0 HB2 LEU A 104 -18.169 -1.193 -42.536 1.00 72.14 H new ATOM 0 HB3 LEU A 104 -18.401 -0.030 -43.826 1.00 72.14 H new ATOM 0 HG LEU A 104 -19.949 -0.125 -41.213 1.00 20.21 H new ATOM 0 HD11 LEU A 104 -18.788 1.994 -40.721 1.00 1.30 H new ATOM 0 HD12 LEU A 104 -17.646 0.644 -40.926 1.00 1.30 H new ATOM 0 HD13 LEU A 104 -17.863 1.832 -42.232 1.00 1.30 H new ATOM 0 HD21 LEU A 104 -20.936 2.016 -41.945 1.00 71.42 H new ATOM 0 HD22 LEU A 104 -20.111 1.854 -43.514 1.00 71.42 H new ATOM 0 HD23 LEU A 104 -21.363 0.681 -43.041 1.00 71.42 H new ATOM 1589 N ALA A 105 -19.666 -3.683 -44.736 1.00 62.01 N ATOM 1590 CA ALA A 105 -19.074 -4.668 -45.638 1.00 15.02 C ATOM 1591 C ALA A 105 -20.090 -5.742 -46.026 1.00 14.10 C ATOM 1592 O ALA A 105 -21.240 -5.720 -45.584 1.00 75.53 O ATOM 1593 CB ALA A 105 -17.850 -5.308 -44.986 1.00 53.05 C ATOM 0 H ALA A 105 -20.401 -4.056 -44.135 1.00 62.01 H new ATOM 0 HA ALA A 105 -18.765 -4.153 -46.548 1.00 15.02 H new ATOM 0 HB1 ALA A 105 -17.416 -6.041 -45.667 1.00 53.05 H new ATOM 0 HB2 ALA A 105 -17.112 -4.538 -44.764 1.00 53.05 H new ATOM 0 HB3 ALA A 105 -18.147 -5.803 -44.062 1.00 53.05 H new ATOM 1599 N TYR A 106 -19.650 -6.686 -46.853 1.00 54.43 N ATOM 1600 CA TYR A 106 -20.495 -7.797 -47.292 1.00 22.33 C ATOM 1601 C TYR A 106 -20.680 -8.822 -46.171 1.00 52.22 C ATOM 1602 O TYR A 106 -21.524 -9.716 -46.265 1.00 2.43 O ATOM 1603 CB TYR A 106 -19.890 -8.463 -48.539 1.00 62.33 C ATOM 1604 CG TYR A 106 -18.457 -8.931 -48.353 1.00 72.41 C ATOM 1605 CD1 TYR A 106 -17.387 -8.086 -48.634 1.00 61.54 C ATOM 1606 CD2 TYR A 106 -18.174 -10.217 -47.900 1.00 15.41 C ATOM 1607 CE1 TYR A 106 -16.082 -8.505 -48.467 1.00 50.11 C ATOM 1608 CE2 TYR A 106 -16.869 -10.642 -47.730 1.00 43.13 C ATOM 1609 CZ TYR A 106 -15.827 -9.782 -48.017 1.00 60.03 C ATOM 1610 OH TYR A 106 -14.527 -10.201 -47.851 1.00 3.12 O ATOM 0 H TYR A 106 -18.705 -6.705 -47.237 1.00 54.43 H new ATOM 0 HA TYR A 106 -21.477 -7.400 -47.548 1.00 22.33 H new ATOM 0 HB2 TYR A 106 -20.507 -9.317 -48.818 1.00 62.33 H new ATOM 0 HB3 TYR A 106 -19.927 -7.758 -49.369 1.00 62.33 H new ATOM 0 HD1 TYR A 106 -17.581 -7.085 -48.989 1.00 61.54 H new ATOM 0 HD2 TYR A 106 -18.986 -10.893 -47.678 1.00 15.41 H new ATOM 0 HE1 TYR A 106 -15.265 -7.835 -48.688 1.00 50.11 H new ATOM 0 HE2 TYR A 106 -16.666 -11.641 -47.375 1.00 43.13 H new ATOM 0 HH TYR A 106 -14.520 -11.126 -47.527 1.00 3.12 H new ATOM 1620 N GLY A 107 -19.891 -8.671 -45.107 1.00 75.14 N ATOM 1621 CA GLY A 107 -19.959 -9.581 -43.974 1.00 10.44 C ATOM 1622 C GLY A 107 -21.237 -9.415 -43.172 1.00 30.53 C ATOM 1623 O GLY A 107 -21.522 -10.211 -42.278 1.00 60.22 O ATOM 0 H GLY A 107 -19.200 -7.927 -45.010 1.00 75.14 H new ATOM 0 HA2 GLY A 107 -19.889 -10.608 -44.332 1.00 10.44 H new ATOM 0 HA3 GLY A 107 -19.101 -9.411 -43.324 1.00 10.44 H new ATOM 1627 N GLU A 108 -22.002 -8.372 -43.491 1.00 42.23 N ATOM 1628 CA GLU A 108 -23.278 -8.105 -42.829 1.00 2.53 C ATOM 1629 C GLU A 108 -24.208 -9.306 -42.984 1.00 1.12 C ATOM 1630 O GLU A 108 -24.706 -9.856 -42.000 1.00 70.21 O ATOM 1631 CB GLU A 108 -23.919 -6.836 -43.422 1.00 42.32 C ATOM 1632 CG GLU A 108 -25.065 -6.237 -42.599 1.00 4.21 C ATOM 1633 CD GLU A 108 -26.316 -7.105 -42.570 1.00 31.05 C ATOM 1634 OE1 GLU A 108 -26.856 -7.405 -43.656 1.00 42.51 O ATOM 1635 OE2 GLU A 108 -26.770 -7.477 -41.466 1.00 64.21 O ATOM 0 H GLU A 108 -21.757 -7.692 -44.211 1.00 42.23 H new ATOM 0 HA GLU A 108 -23.105 -7.940 -41.765 1.00 2.53 H new ATOM 0 HB2 GLU A 108 -23.144 -6.079 -43.541 1.00 42.32 H new ATOM 0 HB3 GLU A 108 -24.293 -7.069 -44.419 1.00 42.32 H new ATOM 0 HG2 GLU A 108 -24.721 -6.076 -41.577 1.00 4.21 H new ATOM 0 HG3 GLU A 108 -25.321 -5.259 -43.007 1.00 4.21 H new ATOM 1642 N ARG A 109 -24.430 -9.720 -44.224 1.00 41.24 N ATOM 1643 CA ARG A 109 -25.304 -10.855 -44.499 1.00 2.14 C ATOM 1644 C ARG A 109 -24.469 -12.091 -44.838 1.00 64.15 C ATOM 1645 O ARG A 109 -24.912 -13.226 -44.652 1.00 50.12 O ATOM 1646 CB ARG A 109 -26.268 -10.518 -45.649 1.00 42.44 C ATOM 1647 CG ARG A 109 -27.591 -11.272 -45.581 1.00 24.32 C ATOM 1648 CD ARG A 109 -28.349 -10.929 -44.304 1.00 60.10 C ATOM 1649 NE ARG A 109 -29.655 -11.585 -44.231 1.00 12.51 N ATOM 1650 CZ ARG A 109 -30.465 -11.515 -43.173 1.00 71.52 C ATOM 1651 NH1 ARG A 109 -30.085 -10.861 -42.078 1.00 63.01 N ATOM 1652 NH2 ARG A 109 -31.650 -12.111 -43.206 1.00 72.20 N ATOM 0 H ARG A 109 -24.020 -9.290 -45.053 1.00 41.24 H new ATOM 0 HA ARG A 109 -25.895 -11.071 -43.609 1.00 2.14 H new ATOM 0 HB2 ARG A 109 -26.470 -9.447 -45.640 1.00 42.44 H new ATOM 0 HB3 ARG A 109 -25.780 -10.743 -46.598 1.00 42.44 H new ATOM 0 HG2 ARG A 109 -28.201 -11.022 -46.449 1.00 24.32 H new ATOM 0 HG3 ARG A 109 -27.405 -12.345 -45.621 1.00 24.32 H new ATOM 0 HD2 ARG A 109 -27.751 -11.222 -43.441 1.00 60.10 H new ATOM 0 HD3 ARG A 109 -28.485 -9.849 -44.246 1.00 60.10 H new ATOM 0 HE ARG A 109 -29.965 -12.128 -45.037 1.00 12.51 H new ATOM 0 HH11 ARG A 109 -29.171 -10.410 -42.045 1.00 63.01 H new ATOM 0 HH12 ARG A 109 -30.708 -10.811 -41.272 1.00 63.01 H new ATOM 0 HH21 ARG A 109 -31.941 -12.622 -44.040 1.00 72.20 H new ATOM 0 HH22 ARG A 109 -32.270 -12.058 -42.398 1.00 72.20 H new ATOM 1666 N GLY A 110 -23.250 -11.852 -45.321 1.00 51.44 N ATOM 1667 CA GLY A 110 -22.362 -12.936 -45.707 1.00 74.31 C ATOM 1668 C GLY A 110 -22.754 -13.557 -47.036 1.00 44.44 C ATOM 1669 O GLY A 110 -23.658 -13.060 -47.713 1.00 52.23 O ATOM 0 H GLY A 110 -22.860 -10.919 -45.452 1.00 51.44 H new ATOM 0 HA2 GLY A 110 -21.341 -12.561 -45.771 1.00 74.31 H new ATOM 0 HA3 GLY A 110 -22.371 -13.703 -44.933 1.00 74.31 H new ATOM 1673 N TYR A 111 -22.051 -14.621 -47.414 1.00 14.34 N ATOM 1674 CA TYR A 111 -22.362 -15.393 -48.623 1.00 51.25 C ATOM 1675 C TYR A 111 -21.930 -16.858 -48.441 1.00 15.01 C ATOM 1676 O TYR A 111 -22.766 -17.760 -48.520 1.00 51.22 O ATOM 1677 CB TYR A 111 -21.698 -14.797 -49.887 1.00 51.01 C ATOM 1678 CG TYR A 111 -22.266 -13.466 -50.354 1.00 1.55 C ATOM 1679 CD1 TYR A 111 -23.501 -13.400 -50.992 1.00 14.33 C ATOM 1680 CD2 TYR A 111 -21.556 -12.281 -50.177 1.00 62.24 C ATOM 1681 CE1 TYR A 111 -24.009 -12.194 -51.440 1.00 51.32 C ATOM 1682 CE2 TYR A 111 -22.062 -11.073 -50.619 1.00 42.35 C ATOM 1683 CZ TYR A 111 -23.287 -11.035 -51.249 1.00 75.40 C ATOM 1684 OH TYR A 111 -23.789 -9.833 -51.697 1.00 34.13 O ATOM 0 H TYR A 111 -21.249 -14.976 -46.894 1.00 14.34 H new ATOM 0 HA TYR A 111 -23.441 -15.345 -48.769 1.00 51.25 H new ATOM 0 HB2 TYR A 111 -20.633 -14.670 -49.692 1.00 51.01 H new ATOM 0 HB3 TYR A 111 -21.790 -15.518 -50.700 1.00 51.01 H new ATOM 0 HD1 TYR A 111 -24.072 -14.305 -51.140 1.00 14.33 H new ATOM 0 HD2 TYR A 111 -20.594 -12.306 -49.686 1.00 62.24 H new ATOM 0 HE1 TYR A 111 -24.967 -12.160 -51.937 1.00 51.32 H new ATOM 0 HE2 TYR A 111 -21.500 -10.163 -50.471 1.00 42.35 H new ATOM 0 HH TYR A 111 -23.158 -9.115 -51.483 1.00 34.13 H new ATOM 1694 N PRO A 112 -20.621 -17.131 -48.188 1.00 71.14 N ATOM 1695 CA PRO A 112 -20.120 -18.488 -48.017 1.00 74.05 C ATOM 1696 C PRO A 112 -20.052 -18.899 -46.540 1.00 44.53 C ATOM 1697 O PRO A 112 -19.972 -18.043 -45.656 1.00 35.22 O ATOM 1698 CB PRO A 112 -18.714 -18.390 -48.626 1.00 3.14 C ATOM 1699 CG PRO A 112 -18.286 -16.959 -48.432 1.00 55.31 C ATOM 1700 CD PRO A 112 -19.518 -16.163 -48.044 1.00 34.32 C ATOM 0 HA PRO A 112 -20.757 -19.241 -48.481 1.00 74.05 H new ATOM 0 HB2 PRO A 112 -18.025 -19.075 -48.133 1.00 3.14 H new ATOM 0 HB3 PRO A 112 -18.726 -18.656 -49.683 1.00 3.14 H new ATOM 0 HG2 PRO A 112 -17.524 -16.889 -47.656 1.00 55.31 H new ATOM 0 HG3 PRO A 112 -17.846 -16.563 -49.347 1.00 55.31 H new ATOM 0 HD2 PRO A 112 -19.446 -15.787 -47.023 1.00 34.32 H new ATOM 0 HD3 PRO A 112 -19.657 -15.299 -48.693 1.00 34.32 H new ATOM 1708 N PRO A 113 -20.059 -20.218 -46.251 1.00 75.52 N ATOM 1709 CA PRO A 113 -20.012 -20.735 -44.870 1.00 14.13 C ATOM 1710 C PRO A 113 -18.740 -20.311 -44.129 1.00 51.33 C ATOM 1711 O PRO A 113 -18.666 -20.387 -42.899 1.00 50.55 O ATOM 1712 CB PRO A 113 -20.052 -22.263 -45.050 1.00 71.32 C ATOM 1713 CG PRO A 113 -19.623 -22.498 -46.460 1.00 43.15 C ATOM 1714 CD PRO A 113 -20.120 -21.313 -47.240 1.00 14.23 C ATOM 0 HA PRO A 113 -20.832 -20.347 -44.266 1.00 14.13 H new ATOM 0 HB2 PRO A 113 -19.385 -22.761 -44.346 1.00 71.32 H new ATOM 0 HB3 PRO A 113 -21.053 -22.655 -44.872 1.00 71.32 H new ATOM 0 HG2 PRO A 113 -18.539 -22.586 -46.530 1.00 43.15 H new ATOM 0 HG3 PRO A 113 -20.043 -23.426 -46.848 1.00 43.15 H new ATOM 0 HD2 PRO A 113 -19.493 -21.109 -48.108 1.00 14.23 H new ATOM 0 HD3 PRO A 113 -21.134 -21.468 -47.609 1.00 14.23 H new ATOM 1722 N VAL A 114 -17.739 -19.879 -44.891 1.00 63.42 N ATOM 1723 CA VAL A 114 -16.489 -19.388 -44.327 1.00 23.21 C ATOM 1724 C VAL A 114 -16.694 -18.003 -43.711 1.00 74.31 C ATOM 1725 O VAL A 114 -16.066 -17.655 -42.711 1.00 2.15 O ATOM 1726 CB VAL A 114 -15.378 -19.315 -45.407 1.00 34.22 C ATOM 1727 CG1 VAL A 114 -14.047 -18.866 -44.800 1.00 33.32 C ATOM 1728 CG2 VAL A 114 -15.230 -20.659 -46.119 1.00 53.14 C ATOM 0 H VAL A 114 -17.772 -19.860 -45.910 1.00 63.42 H new ATOM 0 HA VAL A 114 -16.175 -20.088 -43.553 1.00 23.21 H new ATOM 0 HB VAL A 114 -15.673 -18.569 -46.145 1.00 34.22 H new ATOM 0 HG11 VAL A 114 -13.287 -18.824 -45.580 1.00 33.32 H new ATOM 0 HG12 VAL A 114 -14.165 -17.878 -44.355 1.00 33.32 H new ATOM 0 HG13 VAL A 114 -13.740 -19.576 -44.032 1.00 33.32 H new ATOM 0 HG21 VAL A 114 -14.446 -20.587 -46.873 1.00 53.14 H new ATOM 0 HG22 VAL A 114 -14.966 -21.428 -45.393 1.00 53.14 H new ATOM 0 HG23 VAL A 114 -16.172 -20.922 -46.600 1.00 53.14 H new ATOM 1738 N ILE A 115 -17.598 -17.226 -44.306 1.00 51.04 N ATOM 1739 CA ILE A 115 -17.887 -15.872 -43.840 1.00 15.41 C ATOM 1740 C ILE A 115 -19.272 -15.836 -43.195 1.00 5.40 C ATOM 1741 O ILE A 115 -20.290 -15.799 -43.894 1.00 35.31 O ATOM 1742 CB ILE A 115 -17.828 -14.844 -45.003 1.00 64.33 C ATOM 1743 CG1 ILE A 115 -16.446 -14.868 -45.684 1.00 53.33 C ATOM 1744 CG2 ILE A 115 -18.158 -13.435 -44.505 1.00 50.30 C ATOM 1745 CD1 ILE A 115 -15.294 -14.514 -44.761 1.00 54.20 C ATOM 0 H ILE A 115 -18.146 -17.514 -45.117 1.00 51.04 H new ATOM 0 HA ILE A 115 -17.127 -15.598 -43.108 1.00 15.41 H new ATOM 0 HB ILE A 115 -18.579 -15.128 -45.741 1.00 64.33 H new ATOM 0 HG12 ILE A 115 -16.274 -15.862 -46.098 1.00 53.33 H new ATOM 0 HG13 ILE A 115 -16.454 -14.171 -46.522 1.00 53.33 H new ATOM 0 HG21 ILE A 115 -18.110 -12.734 -45.338 1.00 50.30 H new ATOM 0 HG22 ILE A 115 -19.162 -13.425 -44.080 1.00 50.30 H new ATOM 0 HG23 ILE A 115 -17.438 -13.141 -43.741 1.00 50.30 H new ATOM 0 HD11 ILE A 115 -14.357 -14.554 -45.317 1.00 54.20 H new ATOM 0 HD12 ILE A 115 -15.440 -13.508 -44.367 1.00 54.20 H new ATOM 0 HD13 ILE A 115 -15.257 -15.225 -43.936 1.00 54.20 H new ATOM 1757 N PRO A 116 -19.330 -15.885 -41.852 1.00 1.54 N ATOM 1758 CA PRO A 116 -20.598 -15.886 -41.118 1.00 4.42 C ATOM 1759 C PRO A 116 -21.359 -14.567 -41.277 1.00 1.54 C ATOM 1760 O PRO A 116 -20.755 -13.520 -41.520 1.00 44.24 O ATOM 1761 CB PRO A 116 -20.173 -16.105 -39.655 1.00 0.11 C ATOM 1762 CG PRO A 116 -18.753 -15.661 -39.589 1.00 2.34 C ATOM 1763 CD PRO A 116 -18.164 -15.938 -40.947 1.00 73.41 C ATOM 0 HA PRO A 116 -21.283 -16.651 -41.485 1.00 4.42 H new ATOM 0 HB2 PRO A 116 -20.798 -15.528 -38.973 1.00 0.11 H new ATOM 0 HB3 PRO A 116 -20.272 -17.152 -39.369 1.00 0.11 H new ATOM 0 HG2 PRO A 116 -18.687 -14.601 -39.345 1.00 2.34 H new ATOM 0 HG3 PRO A 116 -18.212 -16.201 -38.812 1.00 2.34 H new ATOM 0 HD2 PRO A 116 -17.413 -15.195 -41.217 1.00 73.41 H new ATOM 0 HD3 PRO A 116 -17.675 -16.912 -40.980 1.00 73.41 H new ATOM 1771 N PRO A 117 -22.699 -14.605 -41.174 1.00 32.11 N ATOM 1772 CA PRO A 117 -23.522 -13.393 -41.197 1.00 23.42 C ATOM 1773 C PRO A 117 -23.204 -12.484 -40.010 1.00 61.41 C ATOM 1774 O PRO A 117 -23.041 -12.963 -38.881 1.00 22.34 O ATOM 1775 CB PRO A 117 -24.965 -13.925 -41.112 1.00 44.33 C ATOM 1776 CG PRO A 117 -24.868 -15.358 -41.520 1.00 52.33 C ATOM 1777 CD PRO A 117 -23.519 -15.823 -41.050 1.00 32.41 C ATOM 0 HA PRO A 117 -23.347 -12.787 -42.086 1.00 23.42 H new ATOM 0 HB2 PRO A 117 -25.364 -13.827 -40.102 1.00 44.33 H new ATOM 0 HB3 PRO A 117 -25.631 -13.370 -41.773 1.00 44.33 H new ATOM 0 HG2 PRO A 117 -25.665 -15.949 -41.068 1.00 52.33 H new ATOM 0 HG3 PRO A 117 -24.965 -15.465 -42.600 1.00 52.33 H new ATOM 0 HD2 PRO A 117 -23.551 -16.188 -40.023 1.00 32.41 H new ATOM 0 HD3 PRO A 117 -23.133 -16.636 -41.665 1.00 32.41 H new ATOM 1785 N LYS A 118 -23.113 -11.185 -40.279 1.00 12.23 N ATOM 1786 CA LYS A 118 -22.786 -10.187 -39.267 1.00 22.13 C ATOM 1787 C LYS A 118 -21.369 -10.404 -38.740 1.00 41.51 C ATOM 1788 O LYS A 118 -21.093 -10.209 -37.553 1.00 20.11 O ATOM 1789 CB LYS A 118 -23.817 -10.208 -38.127 1.00 64.12 C ATOM 1790 CG LYS A 118 -25.234 -9.850 -38.576 1.00 0.22 C ATOM 1791 CD LYS A 118 -26.225 -9.879 -37.417 1.00 12.22 C ATOM 1792 CE LYS A 118 -26.322 -11.267 -36.788 1.00 54.44 C ATOM 1793 NZ LYS A 118 -27.306 -11.300 -35.674 1.00 73.32 N ATOM 0 H LYS A 118 -23.265 -10.794 -41.209 1.00 12.23 H new ATOM 0 HA LYS A 118 -22.825 -9.200 -39.728 1.00 22.13 H new ATOM 0 HB2 LYS A 118 -23.828 -11.200 -37.676 1.00 64.12 H new ATOM 0 HB3 LYS A 118 -23.503 -9.509 -37.352 1.00 64.12 H new ATOM 0 HG2 LYS A 118 -25.232 -8.857 -39.026 1.00 0.22 H new ATOM 0 HG3 LYS A 118 -25.557 -10.549 -39.347 1.00 0.22 H new ATOM 0 HD2 LYS A 118 -25.919 -9.157 -36.659 1.00 12.22 H new ATOM 0 HD3 LYS A 118 -27.209 -9.571 -37.772 1.00 12.22 H new ATOM 0 HE2 LYS A 118 -26.610 -11.992 -37.549 1.00 54.44 H new ATOM 0 HE3 LYS A 118 -25.342 -11.567 -36.417 1.00 54.44 H new ATOM 0 HZ1 LYS A 118 -27.344 -12.259 -35.272 1.00 73.32 H new ATOM 0 HZ2 LYS A 118 -27.018 -10.626 -34.936 1.00 73.32 H new ATOM 0 HZ3 LYS A 118 -28.246 -11.038 -36.033 1.00 73.32 H new ATOM 1807 N ALA A 119 -20.472 -10.790 -39.644 1.00 25.12 N ATOM 1808 CA ALA A 119 -19.069 -10.997 -39.307 1.00 55.24 C ATOM 1809 C ALA A 119 -18.264 -9.727 -39.563 1.00 12.24 C ATOM 1810 O ALA A 119 -18.172 -9.258 -40.701 1.00 74.12 O ATOM 1811 CB ALA A 119 -18.494 -12.150 -40.118 1.00 71.50 C ATOM 0 H ALA A 119 -20.696 -10.967 -40.623 1.00 25.12 H new ATOM 0 HA ALA A 119 -19.004 -11.244 -38.247 1.00 55.24 H new ATOM 0 HB1 ALA A 119 -17.446 -12.292 -39.855 1.00 71.50 H new ATOM 0 HB2 ALA A 119 -19.050 -13.062 -39.899 1.00 71.50 H new ATOM 0 HB3 ALA A 119 -18.574 -11.923 -41.181 1.00 71.50 H new ATOM 1817 N THR A 120 -17.708 -9.160 -38.499 1.00 51.12 N ATOM 1818 CA THR A 120 -16.801 -8.031 -38.615 1.00 71.23 C ATOM 1819 C THR A 120 -15.450 -8.517 -39.145 1.00 20.24 C ATOM 1820 O THR A 120 -14.921 -9.525 -38.668 1.00 3.02 O ATOM 1821 CB THR A 120 -16.622 -7.329 -37.250 1.00 65.31 C ATOM 1822 OG1 THR A 120 -17.903 -6.890 -36.764 1.00 65.31 O ATOM 1823 CG2 THR A 120 -15.679 -6.137 -37.354 1.00 44.33 C ATOM 0 H THR A 120 -17.873 -9.468 -37.541 1.00 51.12 H new ATOM 0 HA THR A 120 -17.224 -7.307 -39.312 1.00 71.23 H new ATOM 0 HB THR A 120 -16.184 -8.046 -36.555 1.00 65.31 H new ATOM 0 HG1 THR A 120 -17.790 -6.446 -35.898 1.00 65.31 H new ATOM 0 HG21 THR A 120 -15.577 -5.668 -36.376 1.00 44.33 H new ATOM 0 HG22 THR A 120 -14.702 -6.475 -37.698 1.00 44.33 H new ATOM 0 HG23 THR A 120 -16.083 -5.414 -38.063 1.00 44.33 H new ATOM 1831 N LEU A 121 -14.900 -7.804 -40.122 1.00 2.41 N ATOM 1832 CA LEU A 121 -13.702 -8.253 -40.829 1.00 73.03 C ATOM 1833 C LEU A 121 -12.631 -7.167 -40.748 1.00 70.13 C ATOM 1834 O LEU A 121 -12.952 -5.979 -40.772 1.00 70.31 O ATOM 1835 CB LEU A 121 -14.059 -8.571 -42.302 1.00 5.25 C ATOM 1836 CG LEU A 121 -13.387 -9.819 -42.915 1.00 44.23 C ATOM 1837 CD1 LEU A 121 -11.874 -9.650 -43.008 1.00 63.11 C ATOM 1838 CD2 LEU A 121 -13.748 -11.069 -42.112 1.00 11.54 C ATOM 0 H LEU A 121 -15.266 -6.908 -40.445 1.00 2.41 H new ATOM 0 HA LEU A 121 -13.313 -9.160 -40.367 1.00 73.03 H new ATOM 0 HB2 LEU A 121 -15.140 -8.695 -42.373 1.00 5.25 H new ATOM 0 HB3 LEU A 121 -13.796 -7.707 -42.912 1.00 5.25 H new ATOM 0 HG LEU A 121 -13.765 -9.939 -43.930 1.00 44.23 H new ATOM 0 HD11 LEU A 121 -11.434 -10.547 -43.444 1.00 63.11 H new ATOM 0 HD12 LEU A 121 -11.642 -8.790 -43.636 1.00 63.11 H new ATOM 0 HD13 LEU A 121 -11.464 -9.492 -42.011 1.00 63.11 H new ATOM 0 HD21 LEU A 121 -13.266 -11.939 -42.558 1.00 11.54 H new ATOM 0 HD22 LEU A 121 -13.406 -10.952 -41.084 1.00 11.54 H new ATOM 0 HD23 LEU A 121 -14.829 -11.208 -42.122 1.00 11.54 H new ATOM 1850 N VAL A 122 -11.363 -7.559 -40.642 1.00 31.41 N ATOM 1851 CA VAL A 122 -10.283 -6.589 -40.546 1.00 43.23 C ATOM 1852 C VAL A 122 -9.600 -6.438 -41.898 1.00 70.11 C ATOM 1853 O VAL A 122 -9.224 -7.424 -42.521 1.00 44.44 O ATOM 1854 CB VAL A 122 -9.238 -7.007 -39.477 1.00 61.11 C ATOM 1855 CG1 VAL A 122 -8.084 -6.011 -39.424 1.00 50.24 C ATOM 1856 CG2 VAL A 122 -9.897 -7.151 -38.105 1.00 74.23 C ATOM 0 H VAL A 122 -11.063 -8.534 -40.621 1.00 31.41 H new ATOM 0 HA VAL A 122 -10.716 -5.635 -40.243 1.00 43.23 H new ATOM 0 HB VAL A 122 -8.831 -7.977 -39.762 1.00 61.11 H new ATOM 0 HG11 VAL A 122 -7.366 -6.326 -38.667 1.00 50.24 H new ATOM 0 HG12 VAL A 122 -7.593 -5.971 -40.396 1.00 50.24 H new ATOM 0 HG13 VAL A 122 -8.468 -5.023 -39.170 1.00 50.24 H new ATOM 0 HG21 VAL A 122 -9.147 -7.445 -37.370 1.00 74.23 H new ATOM 0 HG22 VAL A 122 -10.339 -6.199 -37.812 1.00 74.23 H new ATOM 0 HG23 VAL A 122 -10.675 -7.913 -38.153 1.00 74.23 H new ATOM 1866 N PHE A 123 -9.468 -5.212 -42.367 1.00 33.02 N ATOM 1867 CA PHE A 123 -8.791 -4.953 -43.626 1.00 14.15 C ATOM 1868 C PHE A 123 -7.638 -3.989 -43.416 1.00 24.01 C ATOM 1869 O PHE A 123 -7.822 -2.870 -42.929 1.00 14.25 O ATOM 1870 CB PHE A 123 -9.772 -4.410 -44.673 1.00 30.11 C ATOM 1871 CG PHE A 123 -10.705 -5.460 -45.233 1.00 10.14 C ATOM 1872 CD1 PHE A 123 -10.344 -6.202 -46.350 1.00 52.10 C ATOM 1873 CD2 PHE A 123 -11.940 -5.706 -44.646 1.00 51.11 C ATOM 1874 CE1 PHE A 123 -11.192 -7.162 -46.869 1.00 34.12 C ATOM 1875 CE2 PHE A 123 -12.791 -6.666 -45.162 1.00 23.22 C ATOM 1876 CZ PHE A 123 -12.418 -7.393 -46.275 1.00 24.21 C ATOM 0 H PHE A 123 -9.820 -4.379 -41.896 1.00 33.02 H new ATOM 0 HA PHE A 123 -8.390 -5.895 -44.001 1.00 14.15 H new ATOM 0 HB2 PHE A 123 -10.364 -3.612 -44.224 1.00 30.11 H new ATOM 0 HB3 PHE A 123 -9.207 -3.965 -45.492 1.00 30.11 H new ATOM 0 HD1 PHE A 123 -9.387 -6.026 -46.820 1.00 52.10 H new ATOM 0 HD2 PHE A 123 -12.239 -5.140 -43.776 1.00 51.11 H new ATOM 0 HE1 PHE A 123 -10.897 -7.731 -47.738 1.00 34.12 H new ATOM 0 HE2 PHE A 123 -13.748 -6.847 -44.694 1.00 23.22 H new ATOM 0 HZ PHE A 123 -13.083 -8.141 -46.681 1.00 24.21 H new ATOM 1886 N GLU A 124 -6.445 -4.441 -43.754 1.00 64.31 N ATOM 1887 CA GLU A 124 -5.274 -3.592 -43.710 1.00 51.31 C ATOM 1888 C GLU A 124 -5.217 -2.775 -44.995 1.00 24.30 C ATOM 1889 O GLU A 124 -5.046 -3.320 -46.093 1.00 64.22 O ATOM 1890 CB GLU A 124 -4.007 -4.432 -43.485 1.00 15.04 C ATOM 1891 CG GLU A 124 -3.948 -5.035 -42.079 1.00 23.21 C ATOM 1892 CD GLU A 124 -2.728 -5.911 -41.829 1.00 12.02 C ATOM 1893 OE1 GLU A 124 -1.599 -5.477 -42.129 1.00 32.21 O ATOM 1894 OE2 GLU A 124 -2.893 -7.035 -41.299 1.00 21.31 O ATOM 0 H GLU A 124 -6.263 -5.396 -44.063 1.00 64.31 H new ATOM 0 HA GLU A 124 -5.335 -2.901 -42.869 1.00 51.31 H new ATOM 0 HB2 GLU A 124 -3.970 -5.233 -44.223 1.00 15.04 H new ATOM 0 HB3 GLU A 124 -3.128 -3.809 -43.647 1.00 15.04 H new ATOM 0 HG2 GLU A 124 -3.957 -4.227 -41.348 1.00 23.21 H new ATOM 0 HG3 GLU A 124 -4.848 -5.627 -41.911 1.00 23.21 H new ATOM 1901 N VAL A 125 -5.438 -1.474 -44.844 1.00 22.33 N ATOM 1902 CA VAL A 125 -5.569 -0.556 -45.965 1.00 0.42 C ATOM 1903 C VAL A 125 -4.305 0.289 -46.119 1.00 41.00 C ATOM 1904 O VAL A 125 -3.607 0.562 -45.139 1.00 20.15 O ATOM 1905 CB VAL A 125 -6.806 0.367 -45.777 1.00 20.05 C ATOM 1906 CG1 VAL A 125 -8.093 -0.455 -45.709 1.00 34.15 C ATOM 1907 CG2 VAL A 125 -6.663 1.226 -44.522 1.00 11.44 C ATOM 0 H VAL A 125 -5.532 -1.025 -43.933 1.00 22.33 H new ATOM 0 HA VAL A 125 -5.708 -1.146 -46.871 1.00 0.42 H new ATOM 0 HB VAL A 125 -6.861 1.028 -46.642 1.00 20.05 H new ATOM 0 HG11 VAL A 125 -8.945 0.213 -45.577 1.00 34.15 H new ATOM 0 HG12 VAL A 125 -8.214 -1.019 -46.634 1.00 34.15 H new ATOM 0 HG13 VAL A 125 -8.040 -1.145 -44.867 1.00 34.15 H new ATOM 0 HG21 VAL A 125 -7.542 1.862 -44.414 1.00 11.44 H new ATOM 0 HG22 VAL A 125 -6.573 0.581 -43.648 1.00 11.44 H new ATOM 0 HG23 VAL A 125 -5.772 1.849 -44.607 1.00 11.44 H new ATOM 1917 N GLU A 126 -4.007 0.690 -47.349 1.00 43.13 N ATOM 1918 CA GLU A 126 -2.808 1.463 -47.643 1.00 63.02 C ATOM 1919 C GLU A 126 -3.046 2.383 -48.843 1.00 75.21 C ATOM 1920 O GLU A 126 -3.533 1.939 -49.886 1.00 73.13 O ATOM 1921 CB GLU A 126 -1.639 0.505 -47.914 1.00 51.44 C ATOM 1922 CG GLU A 126 -0.328 1.190 -48.284 1.00 43.20 C ATOM 1923 CD GLU A 126 0.824 0.204 -48.393 1.00 3.30 C ATOM 1924 OE1 GLU A 126 0.761 -0.696 -49.261 1.00 32.43 O ATOM 1925 OE2 GLU A 126 1.787 0.306 -47.600 1.00 33.31 O ATOM 0 H GLU A 126 -4.585 0.490 -48.165 1.00 43.13 H new ATOM 0 HA GLU A 126 -2.562 2.089 -46.785 1.00 63.02 H new ATOM 0 HB2 GLU A 126 -1.476 -0.108 -47.027 1.00 51.44 H new ATOM 0 HB3 GLU A 126 -1.921 -0.171 -48.721 1.00 51.44 H new ATOM 0 HG2 GLU A 126 -0.448 1.712 -49.233 1.00 43.20 H new ATOM 0 HG3 GLU A 126 -0.089 1.944 -47.534 1.00 43.20 H new ATOM 1932 N LEU A 127 -2.730 3.663 -48.679 1.00 44.31 N ATOM 1933 CA LEU A 127 -2.856 4.645 -49.755 1.00 71.21 C ATOM 1934 C LEU A 127 -1.514 4.759 -50.483 1.00 21.13 C ATOM 1935 O LEU A 127 -0.508 5.132 -49.880 1.00 72.31 O ATOM 1936 CB LEU A 127 -3.276 6.015 -49.168 1.00 2.35 C ATOM 1937 CG LEU A 127 -3.974 7.007 -50.127 1.00 62.44 C ATOM 1938 CD1 LEU A 127 -3.085 7.387 -51.308 1.00 31.13 C ATOM 1939 CD2 LEU A 127 -5.304 6.439 -50.613 1.00 41.12 C ATOM 0 H LEU A 127 -2.381 4.050 -47.802 1.00 44.31 H new ATOM 0 HA LEU A 127 -3.621 4.327 -50.463 1.00 71.21 H new ATOM 0 HB2 LEU A 127 -3.943 5.832 -48.326 1.00 2.35 H new ATOM 0 HB3 LEU A 127 -2.385 6.500 -48.769 1.00 2.35 H new ATOM 0 HG LEU A 127 -4.167 7.920 -49.564 1.00 62.44 H new ATOM 0 HD11 LEU A 127 -3.617 8.085 -51.954 1.00 31.13 H new ATOM 0 HD12 LEU A 127 -2.172 7.856 -50.940 1.00 31.13 H new ATOM 0 HD13 LEU A 127 -2.830 6.491 -51.874 1.00 31.13 H new ATOM 0 HD21 LEU A 127 -5.780 7.152 -51.287 1.00 41.12 H new ATOM 0 HD22 LEU A 127 -5.128 5.502 -51.142 1.00 41.12 H new ATOM 0 HD23 LEU A 127 -5.956 6.257 -49.759 1.00 41.12 H new ATOM 1951 N LEU A 128 -1.495 4.429 -51.773 1.00 14.43 N ATOM 1952 CA LEU A 128 -0.257 4.463 -52.557 1.00 30.41 C ATOM 1953 C LEU A 128 -0.086 5.807 -53.257 1.00 2.23 C ATOM 1954 O LEU A 128 0.969 6.435 -53.153 1.00 15.42 O ATOM 1955 CB LEU A 128 -0.225 3.318 -53.588 1.00 73.21 C ATOM 1956 CG LEU A 128 0.128 1.931 -53.025 1.00 25.15 C ATOM 1957 CD1 LEU A 128 1.532 1.933 -52.422 1.00 61.42 C ATOM 1958 CD2 LEU A 128 -0.903 1.489 -51.994 1.00 51.52 C ATOM 0 H LEU A 128 -2.319 4.136 -52.298 1.00 14.43 H new ATOM 0 HA LEU A 128 0.574 4.329 -51.864 1.00 30.41 H new ATOM 0 HB2 LEU A 128 -1.201 3.258 -54.069 1.00 73.21 H new ATOM 0 HB3 LEU A 128 0.498 3.571 -54.364 1.00 73.21 H new ATOM 0 HG LEU A 128 0.113 1.216 -53.848 1.00 25.15 H new ATOM 0 HD11 LEU A 128 1.761 0.942 -52.030 1.00 61.42 H new ATOM 0 HD12 LEU A 128 2.258 2.195 -53.191 1.00 61.42 H new ATOM 0 HD13 LEU A 128 1.580 2.663 -51.614 1.00 61.42 H new ATOM 0 HD21 LEU A 128 -0.634 0.505 -51.609 1.00 51.52 H new ATOM 0 HD22 LEU A 128 -0.927 2.206 -51.173 1.00 51.52 H new ATOM 0 HD23 LEU A 128 -1.886 1.439 -52.461 1.00 51.52 H new ATOM 1970 N ALA A 129 -1.125 6.253 -53.959 1.00 4.43 N ATOM 1971 CA ALA A 129 -1.040 7.487 -54.737 1.00 1.24 C ATOM 1972 C ALA A 129 -2.401 8.160 -54.876 1.00 55.22 C ATOM 1973 O ALA A 129 -3.439 7.574 -54.562 1.00 1.51 O ATOM 1974 CB ALA A 129 -0.439 7.205 -56.109 1.00 14.11 C ATOM 0 H ALA A 129 -2.029 5.783 -54.006 1.00 4.43 H new ATOM 0 HA ALA A 129 -0.388 8.176 -54.200 1.00 1.24 H new ATOM 0 HB1 ALA A 129 -0.381 8.133 -56.679 1.00 14.11 H new ATOM 0 HB2 ALA A 129 0.562 6.790 -55.989 1.00 14.11 H new ATOM 0 HB3 ALA A 129 -1.067 6.491 -56.642 1.00 14.11 H new ATOM 1980 N VAL A 130 -2.373 9.398 -55.350 1.00 71.35 N ATOM 1981 CA VAL A 130 -3.571 10.196 -55.553 1.00 3.33 C ATOM 1982 C VAL A 130 -3.344 11.142 -56.737 1.00 10.44 C ATOM 1983 O VAL A 130 -2.170 11.476 -57.012 1.00 70.32 O ATOM 1984 CB VAL A 130 -3.935 11.001 -54.271 1.00 20.24 C ATOM 1985 CG1 VAL A 130 -2.836 12.001 -53.912 1.00 51.34 C ATOM 1986 CG2 VAL A 130 -5.281 11.705 -54.427 1.00 32.12 C ATOM 1987 OXT VAL A 130 -4.322 11.535 -57.398 1.00 0.00 O ATOM 0 H VAL A 130 -1.511 9.879 -55.606 1.00 71.35 H new ATOM 0 HA VAL A 130 -4.408 9.532 -55.769 1.00 3.33 H new ATOM 0 HB VAL A 130 -4.020 10.290 -53.450 1.00 20.24 H new ATOM 0 HG11 VAL A 130 -3.121 12.547 -53.013 1.00 51.34 H new ATOM 0 HG12 VAL A 130 -1.903 11.467 -53.732 1.00 51.34 H new ATOM 0 HG13 VAL A 130 -2.700 12.703 -54.735 1.00 51.34 H new ATOM 0 HG21 VAL A 130 -5.509 12.259 -53.517 1.00 32.12 H new ATOM 0 HG22 VAL A 130 -5.235 12.395 -55.270 1.00 32.12 H new ATOM 0 HG23 VAL A 130 -6.060 10.964 -54.606 1.00 32.12 H new