USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 727 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 41 SER OG : rot 90:sc= -0.468 USER MOD Set 1.2: A 112 SER OG : rot 48:sc= -0.429 USER MOD Set 2.1: A 83 ASN : amide:sc= -0.78 K(o=-5.8,f=-5.2) USER MOD Set 2.2: A 100 HIS : no HD1:sc= -5.04 K(o=-5.8,f=-6.7!) USER MOD Single : A 29 ASN : amide:sc= -1.2 K(o=-1.2,f=-3.9!) USER MOD Single : A 35 CYS SG : rot 180:sc= -0.281 USER MOD Single : A 37 LYS NZ :NH3+ -164:sc= -0.0786 (180deg=-0.446) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 161:sc= -0.0651 (180deg=-0.357) USER MOD Single : A 50 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0163) USER MOD Single : A 51 TYR OH : rot 88:sc= 0.264 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.68 USER MOD Single : A 61 GLN : amide:sc= -1.84! K(o=-1.8!,f=-0.0012) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0257) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0705 USER MOD Single : A 93 MET CE :methyl -163:sc= -0.0817 (180deg=-0.416) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ -158:sc= -0.0271 (180deg=-0.233) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 140:sc= 1.66 USER MOD Single : A 111 TYR OH : rot -2:sc= 0.886 USER MOD Single : A 115 ASN : amide:sc= -0.232 X(o=-0.23,f=-0.23) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 471 N ASN A 29 -20.008 -4.567 -36.544 1.00 4.44 N ATOM 472 CA ASN A 29 -21.194 -3.726 -36.648 1.00 2.41 C ATOM 473 C ASN A 29 -21.875 -3.574 -35.290 1.00 53.25 C ATOM 474 O ASN A 29 -22.525 -4.500 -34.805 1.00 15.12 O ATOM 475 CB ASN A 29 -22.177 -4.317 -37.661 1.00 12.03 C ATOM 476 CG ASN A 29 -22.409 -5.800 -37.442 1.00 42.31 C ATOM 477 OD1 ASN A 29 -23.287 -6.196 -36.676 1.00 53.42 O ATOM 478 ND2 ASN A 29 -21.620 -6.628 -38.116 1.00 51.24 N ATOM 0 HA ASN A 29 -20.880 -2.740 -36.989 1.00 2.41 H new ATOM 0 HB2 ASN A 29 -23.128 -3.789 -37.592 1.00 12.03 H new ATOM 0 HB3 ASN A 29 -21.796 -4.156 -38.670 1.00 12.03 H new ATOM 0 HD21 ASN A 29 -21.729 -7.637 -38.009 1.00 51.24 H new ATOM 0 HD22 ASN A 29 -20.905 -6.256 -38.741 1.00 51.24 H new ATOM 485 N ARG A 30 -21.720 -2.402 -34.685 1.00 12.02 N ATOM 486 CA ARG A 30 -22.319 -2.130 -33.384 1.00 1.31 C ATOM 487 C ARG A 30 -23.014 -0.771 -33.379 1.00 40.23 C ATOM 488 O ARG A 30 -22.615 0.144 -34.100 1.00 34.34 O ATOM 489 CB ARG A 30 -21.252 -2.172 -32.288 1.00 53.22 C ATOM 490 CG ARG A 30 -20.092 -1.221 -32.531 1.00 62.25 C ATOM 491 CD ARG A 30 -20.293 0.100 -31.806 1.00 44.40 C ATOM 492 NE ARG A 30 -19.024 0.708 -31.414 1.00 32.33 N ATOM 493 CZ ARG A 30 -18.919 1.658 -30.490 1.00 61.13 C ATOM 494 NH1 ARG A 30 -20.001 2.105 -29.869 1.00 21.15 N ATOM 495 NH2 ARG A 30 -17.729 2.161 -30.188 1.00 11.44 N ATOM 0 H ARG A 30 -21.185 -1.626 -35.074 1.00 12.02 H new ATOM 0 HA ARG A 30 -23.064 -2.901 -33.187 1.00 1.31 H new ATOM 0 HB2 ARG A 30 -21.716 -1.929 -31.332 1.00 53.22 H new ATOM 0 HB3 ARG A 30 -20.867 -3.188 -32.207 1.00 53.22 H new ATOM 0 HG2 ARG A 30 -19.164 -1.684 -32.195 1.00 62.25 H new ATOM 0 HG3 ARG A 30 -19.988 -1.038 -33.601 1.00 62.25 H new ATOM 0 HD2 ARG A 30 -20.841 0.788 -32.451 1.00 44.40 H new ATOM 0 HD3 ARG A 30 -20.906 -0.063 -30.920 1.00 44.40 H new ATOM 0 HE ARG A 30 -18.172 0.386 -31.874 1.00 32.33 H new ATOM 0 HH11 ARG A 30 -20.917 1.720 -30.100 1.00 21.15 H new ATOM 0 HH12 ARG A 30 -19.918 2.834 -29.160 1.00 21.15 H new ATOM 0 HH21 ARG A 30 -16.895 1.819 -30.665 1.00 11.44 H new ATOM 0 HH22 ARG A 30 -17.648 2.890 -29.479 1.00 11.44 H new ATOM 509 N ILE A 31 -24.055 -0.648 -32.563 1.00 35.31 N ATOM 510 CA ILE A 31 -24.805 0.598 -32.464 1.00 42.22 C ATOM 511 C ILE A 31 -24.737 1.171 -31.052 1.00 65.30 C ATOM 512 O ILE A 31 -25.153 0.542 -30.080 1.00 14.43 O ATOM 513 CB ILE A 31 -26.282 0.399 -32.853 1.00 63.33 C ATOM 514 CG1 ILE A 31 -26.787 -0.953 -32.347 1.00 34.53 C ATOM 515 CG2 ILE A 31 -26.450 0.503 -34.362 1.00 70.23 C ATOM 516 CD1 ILE A 31 -28.286 -1.122 -32.468 1.00 13.15 C ATOM 0 H ILE A 31 -24.398 -1.396 -31.961 1.00 35.31 H new ATOM 0 HA ILE A 31 -24.345 1.298 -33.161 1.00 42.22 H new ATOM 0 HB ILE A 31 -26.875 1.185 -32.386 1.00 63.33 H new ATOM 0 HG12 ILE A 31 -26.294 -1.748 -32.906 1.00 34.53 H new ATOM 0 HG13 ILE A 31 -26.499 -1.071 -31.302 1.00 34.53 H new ATOM 0 HG21 ILE A 31 -27.499 0.360 -34.622 1.00 70.23 H new ATOM 0 HG22 ILE A 31 -26.124 1.487 -34.697 1.00 70.23 H new ATOM 0 HG23 ILE A 31 -25.848 -0.264 -34.849 1.00 70.23 H new ATOM 0 HD11 ILE A 31 -28.573 -2.103 -32.091 1.00 13.15 H new ATOM 0 HD12 ILE A 31 -28.787 -0.349 -31.886 1.00 13.15 H new ATOM 0 HD13 ILE A 31 -28.579 -1.036 -33.514 1.00 13.15 H new ATOM 528 N PRO A 32 -24.198 2.394 -30.936 1.00 11.14 N ATOM 529 CA PRO A 32 -24.064 3.080 -29.647 1.00 12.21 C ATOM 530 C PRO A 32 -25.410 3.511 -29.077 1.00 12.43 C ATOM 531 O PRO A 32 -25.849 4.643 -29.282 1.00 13.21 O ATOM 532 CB PRO A 32 -23.210 4.304 -29.985 1.00 43.23 C ATOM 533 CG PRO A 32 -23.459 4.554 -31.433 1.00 30.34 C ATOM 534 CD PRO A 32 -23.680 3.201 -32.053 1.00 24.03 C ATOM 0 HA PRO A 32 -23.627 2.435 -28.885 1.00 12.21 H new ATOM 0 HB2 PRO A 32 -23.495 5.165 -29.380 1.00 43.23 H new ATOM 0 HB3 PRO A 32 -22.154 4.115 -29.792 1.00 43.23 H new ATOM 0 HG2 PRO A 32 -24.329 5.195 -31.575 1.00 30.34 H new ATOM 0 HG3 PRO A 32 -22.611 5.061 -31.893 1.00 30.34 H new ATOM 0 HD2 PRO A 32 -24.391 3.248 -32.878 1.00 24.03 H new ATOM 0 HD3 PRO A 32 -22.755 2.786 -32.453 1.00 24.03 H new ATOM 542 N VAL A 33 -26.063 2.602 -28.359 1.00 64.21 N ATOM 543 CA VAL A 33 -27.360 2.890 -27.758 1.00 25.43 C ATOM 544 C VAL A 33 -27.202 3.402 -26.331 1.00 42.01 C ATOM 545 O VAL A 33 -26.316 2.963 -25.597 1.00 63.22 O ATOM 546 CB VAL A 33 -28.262 1.641 -27.747 1.00 11.02 C ATOM 547 CG1 VAL A 33 -28.596 1.211 -29.166 1.00 65.45 C ATOM 548 CG2 VAL A 33 -27.595 0.509 -26.980 1.00 63.45 C ATOM 0 H VAL A 33 -25.715 1.660 -28.180 1.00 64.21 H new ATOM 0 HA VAL A 33 -27.828 3.662 -28.368 1.00 25.43 H new ATOM 0 HB VAL A 33 -29.194 1.892 -27.241 1.00 11.02 H new ATOM 0 HG11 VAL A 33 -29.234 0.327 -29.138 1.00 65.45 H new ATOM 0 HG12 VAL A 33 -29.118 2.019 -29.678 1.00 65.45 H new ATOM 0 HG13 VAL A 33 -27.676 0.977 -29.702 1.00 65.45 H new ATOM 0 HG21 VAL A 33 -28.246 -0.365 -26.982 1.00 63.45 H new ATOM 0 HG22 VAL A 33 -26.647 0.257 -27.455 1.00 63.45 H new ATOM 0 HG23 VAL A 33 -27.413 0.823 -25.952 1.00 63.45 H new ATOM 558 N ILE A 34 -28.067 4.332 -25.943 1.00 14.50 N ATOM 559 CA ILE A 34 -28.025 4.904 -24.603 1.00 74.43 C ATOM 560 C ILE A 34 -29.385 4.801 -23.919 1.00 2.35 C ATOM 561 O ILE A 34 -30.258 5.645 -24.122 1.00 11.43 O ATOM 562 CB ILE A 34 -27.588 6.380 -24.634 1.00 34.21 C ATOM 563 CG1 ILE A 34 -26.200 6.510 -25.263 1.00 12.55 C ATOM 564 CG2 ILE A 34 -27.596 6.964 -23.229 1.00 53.52 C ATOM 565 CD1 ILE A 34 -25.704 7.938 -25.342 1.00 72.21 C ATOM 0 H ILE A 34 -28.806 4.706 -26.538 1.00 14.50 H new ATOM 0 HA ILE A 34 -27.292 4.329 -24.037 1.00 74.43 H new ATOM 0 HB ILE A 34 -28.296 6.941 -25.244 1.00 34.21 H new ATOM 0 HG12 ILE A 34 -25.491 5.919 -24.684 1.00 12.55 H new ATOM 0 HG13 ILE A 34 -26.224 6.086 -26.267 1.00 12.55 H new ATOM 0 HG21 ILE A 34 -27.285 8.008 -23.267 1.00 53.52 H new ATOM 0 HG22 ILE A 34 -28.602 6.900 -22.814 1.00 53.52 H new ATOM 0 HG23 ILE A 34 -26.907 6.403 -22.598 1.00 53.52 H new ATOM 0 HD11 ILE A 34 -24.714 7.955 -25.798 1.00 72.21 H new ATOM 0 HD12 ILE A 34 -26.392 8.529 -25.946 1.00 72.21 H new ATOM 0 HD13 ILE A 34 -25.648 8.360 -24.338 1.00 72.21 H new ATOM 577 N CYS A 35 -29.555 3.764 -23.107 1.00 22.11 N ATOM 578 CA CYS A 35 -30.807 3.551 -22.391 1.00 15.33 C ATOM 579 C CYS A 35 -30.882 4.436 -21.150 1.00 61.11 C ATOM 580 O CYS A 35 -29.993 4.405 -20.300 1.00 63.31 O ATOM 581 CB CYS A 35 -30.948 2.082 -21.993 1.00 35.30 C ATOM 582 SG CYS A 35 -32.538 1.344 -22.441 1.00 62.33 S ATOM 0 H CYS A 35 -28.841 3.057 -22.928 1.00 22.11 H new ATOM 0 HA CYS A 35 -31.627 3.820 -23.057 1.00 15.33 H new ATOM 0 HB2 CYS A 35 -30.149 1.511 -22.465 1.00 35.30 H new ATOM 0 HB3 CYS A 35 -30.810 1.994 -20.915 1.00 35.30 H new ATOM 0 HG CYS A 35 -32.560 0.100 -22.065 1.00 62.33 H new ATOM 588 N GLU A 36 -31.948 5.226 -21.056 1.00 30.52 N ATOM 589 CA GLU A 36 -32.136 6.121 -19.921 1.00 22.51 C ATOM 590 C GLU A 36 -33.211 5.587 -18.979 1.00 32.32 C ATOM 591 O GLU A 36 -33.885 4.601 -19.282 1.00 2.42 O ATOM 592 CB GLU A 36 -32.516 7.521 -20.405 1.00 11.24 C ATOM 593 CG GLU A 36 -31.326 8.360 -20.840 1.00 24.31 C ATOM 594 CD GLU A 36 -31.492 9.828 -20.501 1.00 21.43 C ATOM 595 OE1 GLU A 36 -32.027 10.128 -19.413 1.00 1.23 O ATOM 596 OE2 GLU A 36 -31.087 10.676 -21.323 1.00 11.24 O ATOM 0 H GLU A 36 -32.693 5.264 -21.752 1.00 30.52 H new ATOM 0 HA GLU A 36 -31.194 6.176 -19.375 1.00 22.51 H new ATOM 0 HB2 GLU A 36 -33.211 7.431 -21.240 1.00 11.24 H new ATOM 0 HB3 GLU A 36 -33.044 8.041 -19.606 1.00 11.24 H new ATOM 0 HG2 GLU A 36 -30.424 7.980 -20.361 1.00 24.31 H new ATOM 0 HG3 GLU A 36 -31.185 8.253 -21.915 1.00 24.31 H new ATOM 603 N LYS A 37 -33.366 6.243 -17.834 1.00 50.22 N ATOM 604 CA LYS A 37 -34.359 5.837 -16.846 1.00 41.52 C ATOM 605 C LYS A 37 -35.463 6.883 -16.724 1.00 70.21 C ATOM 606 O LYS A 37 -35.192 8.081 -16.661 1.00 35.21 O ATOM 607 CB LYS A 37 -33.695 5.619 -15.486 1.00 22.41 C ATOM 608 CG LYS A 37 -33.039 6.867 -14.921 1.00 54.41 C ATOM 609 CD LYS A 37 -33.934 7.556 -13.904 1.00 12.45 C ATOM 610 CE LYS A 37 -33.666 7.051 -12.494 1.00 50.54 C ATOM 611 NZ LYS A 37 -34.417 5.799 -12.202 1.00 31.34 N ATOM 0 H LYS A 37 -32.816 7.059 -17.567 1.00 50.22 H new ATOM 0 HA LYS A 37 -34.806 4.900 -17.179 1.00 41.52 H new ATOM 0 HB2 LYS A 37 -34.443 5.261 -14.779 1.00 22.41 H new ATOM 0 HB3 LYS A 37 -32.944 4.835 -15.580 1.00 22.41 H new ATOM 0 HG2 LYS A 37 -32.092 6.601 -14.452 1.00 54.41 H new ATOM 0 HG3 LYS A 37 -32.810 7.558 -15.732 1.00 54.41 H new ATOM 0 HD2 LYS A 37 -33.770 8.633 -13.943 1.00 12.45 H new ATOM 0 HD3 LYS A 37 -34.979 7.383 -14.161 1.00 12.45 H new ATOM 0 HE2 LYS A 37 -32.598 6.872 -12.369 1.00 50.54 H new ATOM 0 HE3 LYS A 37 -33.946 7.819 -11.773 1.00 50.54 H new ATOM 0 HZ1 LYS A 37 -34.431 5.634 -11.175 1.00 31.34 H new ATOM 0 HZ2 LYS A 37 -35.392 5.890 -12.551 1.00 31.34 H new ATOM 0 HZ3 LYS A 37 -33.953 4.998 -12.675 1.00 31.34 H new ATOM 625 N ALA A 38 -36.709 6.420 -16.689 1.00 20.12 N ATOM 626 CA ALA A 38 -37.853 7.314 -16.569 1.00 42.54 C ATOM 627 C ALA A 38 -38.143 7.643 -15.109 1.00 33.30 C ATOM 628 O ALA A 38 -37.868 6.841 -14.217 1.00 12.53 O ATOM 629 CB ALA A 38 -39.078 6.696 -17.227 1.00 22.52 C ATOM 0 H ALA A 38 -36.951 5.431 -16.742 1.00 20.12 H new ATOM 0 HA ALA A 38 -37.610 8.245 -17.082 1.00 42.54 H new ATOM 0 HB1 ALA A 38 -39.925 7.375 -17.129 1.00 22.52 H new ATOM 0 HB2 ALA A 38 -38.874 6.520 -18.283 1.00 22.52 H new ATOM 0 HB3 ALA A 38 -39.314 5.750 -16.740 1.00 22.52 H new ATOM 635 N GLU A 39 -38.701 8.826 -14.873 1.00 51.22 N ATOM 636 CA GLU A 39 -39.026 9.260 -13.520 1.00 20.11 C ATOM 637 C GLU A 39 -40.390 8.727 -13.091 1.00 33.24 C ATOM 638 O GLU A 39 -40.555 8.236 -11.973 1.00 70.33 O ATOM 639 CB GLU A 39 -39.014 10.787 -13.433 1.00 1.12 C ATOM 640 CG GLU A 39 -38.887 11.316 -12.013 1.00 73.10 C ATOM 641 CD GLU A 39 -38.342 12.730 -11.963 1.00 62.32 C ATOM 642 OE1 GLU A 39 -39.134 13.678 -12.142 1.00 41.45 O ATOM 643 OE2 GLU A 39 -37.123 12.887 -11.744 1.00 25.20 O ATOM 0 H GLU A 39 -38.937 9.500 -15.601 1.00 51.22 H new ATOM 0 HA GLU A 39 -38.269 8.859 -12.846 1.00 20.11 H new ATOM 0 HB2 GLU A 39 -38.186 11.170 -14.030 1.00 1.12 H new ATOM 0 HB3 GLU A 39 -39.932 11.175 -13.875 1.00 1.12 H new ATOM 0 HG2 GLU A 39 -39.864 11.290 -11.531 1.00 73.10 H new ATOM 0 HG3 GLU A 39 -38.232 10.658 -11.441 1.00 73.10 H new ATOM 650 N LYS A 40 -41.367 8.827 -13.986 1.00 44.30 N ATOM 651 CA LYS A 40 -42.717 8.356 -13.703 1.00 70.42 C ATOM 652 C LYS A 40 -42.801 6.839 -13.835 1.00 35.21 C ATOM 653 O LYS A 40 -43.509 6.319 -14.698 1.00 42.43 O ATOM 654 CB LYS A 40 -43.720 9.017 -14.652 1.00 3.01 C ATOM 655 CG LYS A 40 -43.370 8.849 -16.120 1.00 14.41 C ATOM 656 CD LYS A 40 -42.720 10.101 -16.685 1.00 73.35 C ATOM 657 CE LYS A 40 -43.718 10.945 -17.463 1.00 22.31 C ATOM 658 NZ LYS A 40 -43.965 10.398 -18.826 1.00 24.32 N ATOM 0 H LYS A 40 -41.248 9.231 -14.915 1.00 44.30 H new ATOM 0 HA LYS A 40 -42.963 8.629 -12.677 1.00 70.42 H new ATOM 0 HB2 LYS A 40 -44.709 8.596 -14.472 1.00 3.01 H new ATOM 0 HB3 LYS A 40 -43.780 10.081 -14.421 1.00 3.01 H new ATOM 0 HG2 LYS A 40 -42.695 8.002 -16.239 1.00 14.41 H new ATOM 0 HG3 LYS A 40 -44.273 8.619 -16.686 1.00 14.41 H new ATOM 0 HD2 LYS A 40 -42.298 10.692 -15.872 1.00 73.35 H new ATOM 0 HD3 LYS A 40 -41.893 9.820 -17.337 1.00 73.35 H new ATOM 0 HE2 LYS A 40 -44.659 10.992 -16.915 1.00 22.31 H new ATOM 0 HE3 LYS A 40 -43.345 11.966 -17.544 1.00 22.31 H new ATOM 0 HZ1 LYS A 40 -44.650 11.002 -19.323 1.00 24.32 H new ATOM 0 HZ2 LYS A 40 -43.072 10.377 -19.359 1.00 24.32 H new ATOM 0 HZ3 LYS A 40 -44.345 9.433 -18.749 1.00 24.32 H new ATOM 672 N SER A 41 -42.077 6.133 -12.972 1.00 35.22 N ATOM 673 CA SER A 41 -42.069 4.675 -12.993 1.00 54.53 C ATOM 674 C SER A 41 -41.314 4.118 -11.790 1.00 43.14 C ATOM 675 O SER A 41 -40.417 4.766 -11.253 1.00 43.30 O ATOM 676 CB SER A 41 -41.435 4.166 -14.289 1.00 12.22 C ATOM 677 OG SER A 41 -40.562 5.135 -14.844 1.00 43.34 O ATOM 0 H SER A 41 -41.488 6.547 -12.249 1.00 35.22 H new ATOM 0 HA SER A 41 -43.102 4.330 -12.943 1.00 54.53 H new ATOM 0 HB2 SER A 41 -40.884 3.246 -14.092 1.00 12.22 H new ATOM 0 HB3 SER A 41 -42.217 3.921 -15.008 1.00 12.22 H new ATOM 0 HG SER A 41 -39.659 5.004 -14.488 1.00 43.34 H new ATOM 683 N ASP A 42 -41.684 2.911 -11.375 1.00 42.33 N ATOM 684 CA ASP A 42 -41.041 2.265 -10.236 1.00 45.13 C ATOM 685 C ASP A 42 -39.867 1.404 -10.692 1.00 52.02 C ATOM 686 O ASP A 42 -39.371 0.565 -9.939 1.00 42.50 O ATOM 687 CB ASP A 42 -42.051 1.408 -9.472 1.00 51.42 C ATOM 688 CG ASP A 42 -42.483 0.185 -10.256 1.00 13.02 C ATOM 689 OD1 ASP A 42 -43.179 0.351 -11.278 1.00 55.42 O ATOM 690 OD2 ASP A 42 -42.126 -0.939 -9.845 1.00 35.41 O ATOM 0 H ASP A 42 -42.425 2.361 -11.810 1.00 42.33 H new ATOM 0 HA ASP A 42 -40.662 3.044 -9.574 1.00 45.13 H new ATOM 0 HB2 ASP A 42 -41.613 1.093 -8.525 1.00 51.42 H new ATOM 0 HB3 ASP A 42 -42.927 2.011 -9.233 1.00 51.42 H new ATOM 695 N ILE A 43 -39.430 1.616 -11.929 1.00 24.54 N ATOM 696 CA ILE A 43 -38.314 0.859 -12.484 1.00 51.45 C ATOM 697 C ILE A 43 -36.988 1.313 -11.883 1.00 62.05 C ATOM 698 O ILE A 43 -36.687 2.504 -11.810 1.00 44.14 O ATOM 699 CB ILE A 43 -38.246 0.999 -14.016 1.00 50.31 C ATOM 700 CG1 ILE A 43 -37.214 0.029 -14.594 1.00 41.04 C ATOM 701 CG2 ILE A 43 -37.907 2.431 -14.402 1.00 14.44 C ATOM 702 CD1 ILE A 43 -37.769 -1.354 -14.861 1.00 24.21 C ATOM 0 H ILE A 43 -39.831 2.305 -12.565 1.00 24.54 H new ATOM 0 HA ILE A 43 -38.485 -0.187 -12.230 1.00 51.45 H new ATOM 0 HB ILE A 43 -39.223 0.751 -14.432 1.00 50.31 H new ATOM 0 HG12 ILE A 43 -36.821 0.440 -15.524 1.00 41.04 H new ATOM 0 HG13 ILE A 43 -36.376 -0.052 -13.902 1.00 41.04 H new ATOM 0 HG21 ILE A 43 -37.862 2.514 -15.488 1.00 14.44 H new ATOM 0 HG22 ILE A 43 -38.675 3.103 -14.018 1.00 14.44 H new ATOM 0 HG23 ILE A 43 -36.941 2.703 -13.977 1.00 14.44 H new ATOM 0 HD11 ILE A 43 -36.983 -1.989 -15.270 1.00 24.21 H new ATOM 0 HD12 ILE A 43 -38.136 -1.785 -13.929 1.00 24.21 H new ATOM 0 HD13 ILE A 43 -38.589 -1.285 -15.576 1.00 24.21 H new ATOM 714 N PRO A 44 -36.175 0.341 -11.444 1.00 63.10 N ATOM 715 CA PRO A 44 -34.865 0.616 -10.845 1.00 14.24 C ATOM 716 C PRO A 44 -33.858 1.134 -11.864 1.00 43.24 C ATOM 717 O PRO A 44 -34.009 0.914 -13.066 1.00 5.33 O ATOM 718 CB PRO A 44 -34.428 -0.748 -10.306 1.00 14.40 C ATOM 719 CG PRO A 44 -35.154 -1.739 -11.150 1.00 65.13 C ATOM 720 CD PRO A 44 -36.469 -1.101 -11.500 1.00 1.32 C ATOM 0 HA PRO A 44 -34.921 1.393 -10.082 1.00 14.24 H new ATOM 0 HB2 PRO A 44 -33.348 -0.877 -10.384 1.00 14.40 H new ATOM 0 HB3 PRO A 44 -34.687 -0.859 -9.253 1.00 14.40 H new ATOM 0 HG2 PRO A 44 -34.585 -1.978 -12.048 1.00 65.13 H new ATOM 0 HG3 PRO A 44 -35.305 -2.674 -10.611 1.00 65.13 H new ATOM 0 HD2 PRO A 44 -36.811 -1.403 -12.490 1.00 1.32 H new ATOM 0 HD3 PRO A 44 -37.251 -1.379 -10.794 1.00 1.32 H new ATOM 728 N GLU A 45 -32.830 1.822 -11.377 1.00 44.52 N ATOM 729 CA GLU A 45 -31.797 2.371 -12.249 1.00 42.30 C ATOM 730 C GLU A 45 -30.705 1.338 -12.516 1.00 3.25 C ATOM 731 O GLU A 45 -30.048 0.861 -11.591 1.00 33.10 O ATOM 732 CB GLU A 45 -31.184 3.626 -11.623 1.00 12.52 C ATOM 733 CG GLU A 45 -29.867 4.040 -12.256 1.00 11.45 C ATOM 734 CD GLU A 45 -29.993 4.313 -13.741 1.00 51.44 C ATOM 735 OE1 GLU A 45 -31.137 4.427 -14.230 1.00 4.35 O ATOM 736 OE2 GLU A 45 -28.947 4.414 -14.417 1.00 60.10 O ATOM 0 H GLU A 45 -32.690 2.012 -10.385 1.00 44.52 H new ATOM 0 HA GLU A 45 -32.262 2.637 -13.198 1.00 42.30 H new ATOM 0 HB2 GLU A 45 -31.894 4.449 -11.710 1.00 12.52 H new ATOM 0 HB3 GLU A 45 -31.027 3.451 -10.559 1.00 12.52 H new ATOM 0 HG2 GLU A 45 -29.494 4.934 -11.757 1.00 11.45 H new ATOM 0 HG3 GLU A 45 -29.129 3.254 -12.096 1.00 11.45 H new ATOM 743 N ILE A 46 -30.518 1.000 -13.788 1.00 33.23 N ATOM 744 CA ILE A 46 -29.507 0.026 -14.177 1.00 31.52 C ATOM 745 C ILE A 46 -28.102 0.560 -13.921 1.00 22.51 C ATOM 746 O ILE A 46 -27.851 1.759 -14.040 1.00 51.20 O ATOM 747 CB ILE A 46 -29.636 -0.357 -15.664 1.00 32.44 C ATOM 748 CG1 ILE A 46 -31.026 -0.930 -15.946 1.00 73.40 C ATOM 749 CG2 ILE A 46 -28.556 -1.357 -16.048 1.00 53.13 C ATOM 750 CD1 ILE A 46 -31.355 -1.020 -17.420 1.00 34.24 C ATOM 0 H ILE A 46 -31.053 1.386 -14.565 1.00 33.23 H new ATOM 0 HA ILE A 46 -29.673 -0.862 -13.566 1.00 31.52 H new ATOM 0 HB ILE A 46 -29.504 0.540 -16.269 1.00 32.44 H new ATOM 0 HG12 ILE A 46 -31.097 -1.924 -15.505 1.00 73.40 H new ATOM 0 HG13 ILE A 46 -31.773 -0.309 -15.452 1.00 73.40 H new ATOM 0 HG21 ILE A 46 -28.660 -1.618 -17.101 1.00 53.13 H new ATOM 0 HG22 ILE A 46 -27.574 -0.915 -15.879 1.00 53.13 H new ATOM 0 HG23 ILE A 46 -28.659 -2.255 -15.440 1.00 53.13 H new ATOM 0 HD11 ILE A 46 -32.355 -1.435 -17.545 1.00 34.24 H new ATOM 0 HD12 ILE A 46 -31.317 -0.025 -17.863 1.00 34.24 H new ATOM 0 HD13 ILE A 46 -30.630 -1.665 -17.916 1.00 34.24 H new ATOM 762 N ASP A 47 -27.188 -0.340 -13.571 1.00 42.31 N ATOM 763 CA ASP A 47 -25.806 0.041 -13.302 1.00 21.54 C ATOM 764 C ASP A 47 -25.050 0.301 -14.601 1.00 70.20 C ATOM 765 O ASP A 47 -24.485 1.377 -14.799 1.00 34.20 O ATOM 766 CB ASP A 47 -25.102 -1.053 -12.498 1.00 61.30 C ATOM 767 CG ASP A 47 -23.813 -0.567 -11.863 1.00 62.25 C ATOM 768 OD1 ASP A 47 -23.881 0.326 -10.993 1.00 20.25 O ATOM 769 OD2 ASP A 47 -22.737 -1.079 -12.238 1.00 14.34 O ATOM 0 H ASP A 47 -27.379 -1.337 -13.467 1.00 42.31 H new ATOM 0 HA ASP A 47 -25.816 0.962 -12.719 1.00 21.54 H new ATOM 0 HB2 ASP A 47 -25.773 -1.416 -11.719 1.00 61.30 H new ATOM 0 HB3 ASP A 47 -24.885 -1.898 -13.152 1.00 61.30 H new ATOM 774 N LYS A 48 -25.043 -0.692 -15.485 1.00 11.04 N ATOM 775 CA LYS A 48 -24.358 -0.572 -16.766 1.00 33.13 C ATOM 776 C LYS A 48 -24.789 0.695 -17.497 1.00 72.14 C ATOM 777 O LYS A 48 -25.976 0.906 -17.747 1.00 72.55 O ATOM 778 CB LYS A 48 -24.643 -1.798 -17.636 1.00 40.44 C ATOM 779 CG LYS A 48 -24.229 -3.110 -16.994 1.00 63.30 C ATOM 780 CD LYS A 48 -22.756 -3.404 -17.225 1.00 11.43 C ATOM 781 CE LYS A 48 -22.398 -4.821 -16.804 1.00 21.44 C ATOM 782 NZ LYS A 48 -23.091 -5.840 -17.640 1.00 43.31 N ATOM 0 H LYS A 48 -25.505 -1.589 -15.337 1.00 11.04 H new ATOM 0 HA LYS A 48 -23.287 -0.512 -16.573 1.00 33.13 H new ATOM 0 HB2 LYS A 48 -25.709 -1.834 -17.860 1.00 40.44 H new ATOM 0 HB3 LYS A 48 -24.121 -1.688 -18.586 1.00 40.44 H new ATOM 0 HG2 LYS A 48 -24.430 -3.071 -15.923 1.00 63.30 H new ATOM 0 HG3 LYS A 48 -24.831 -3.922 -17.402 1.00 63.30 H new ATOM 0 HD2 LYS A 48 -22.517 -3.265 -18.279 1.00 11.43 H new ATOM 0 HD3 LYS A 48 -22.150 -2.693 -16.664 1.00 11.43 H new ATOM 0 HE2 LYS A 48 -21.320 -4.961 -16.880 1.00 21.44 H new ATOM 0 HE3 LYS A 48 -22.665 -4.967 -15.757 1.00 21.44 H new ATOM 0 HZ1 LYS A 48 -22.599 -6.752 -17.554 1.00 43.31 H new ATOM 0 HZ2 LYS A 48 -24.074 -5.945 -17.316 1.00 43.31 H new ATOM 0 HZ3 LYS A 48 -23.085 -5.536 -18.634 1.00 43.31 H new ATOM 796 N ARG A 49 -23.818 1.536 -17.838 1.00 61.13 N ATOM 797 CA ARG A 49 -24.097 2.781 -18.541 1.00 44.43 C ATOM 798 C ARG A 49 -24.382 2.521 -20.018 1.00 33.24 C ATOM 799 O ARG A 49 -25.529 2.585 -20.459 1.00 53.43 O ATOM 800 CB ARG A 49 -22.918 3.747 -18.402 1.00 31.45 C ATOM 801 CG ARG A 49 -23.088 5.034 -19.190 1.00 2.53 C ATOM 802 CD ARG A 49 -22.176 6.133 -18.667 1.00 73.22 C ATOM 803 NE ARG A 49 -22.650 6.681 -17.398 1.00 73.34 N ATOM 804 CZ ARG A 49 -22.090 7.720 -16.791 1.00 43.43 C ATOM 805 NH1 ARG A 49 -21.040 8.322 -17.334 1.00 52.22 N ATOM 806 NH2 ARG A 49 -22.579 8.161 -15.639 1.00 63.13 N ATOM 0 H ARG A 49 -22.830 1.377 -17.638 1.00 61.13 H new ATOM 0 HA ARG A 49 -24.982 3.231 -18.091 1.00 44.43 H new ATOM 0 HB2 ARG A 49 -22.782 3.992 -17.348 1.00 31.45 H new ATOM 0 HB3 ARG A 49 -22.008 3.246 -18.733 1.00 31.45 H new ATOM 0 HG2 ARG A 49 -22.870 4.849 -20.242 1.00 2.53 H new ATOM 0 HG3 ARG A 49 -24.126 5.363 -19.132 1.00 2.53 H new ATOM 0 HD2 ARG A 49 -21.169 5.737 -18.537 1.00 73.22 H new ATOM 0 HD3 ARG A 49 -22.111 6.932 -19.405 1.00 73.22 H new ATOM 0 HE ARG A 49 -23.456 6.241 -16.954 1.00 73.34 H new ATOM 0 HH11 ARG A 49 -20.661 7.987 -18.220 1.00 52.22 H new ATOM 0 HH12 ARG A 49 -20.611 9.120 -16.866 1.00 52.22 H new ATOM 0 HH21 ARG A 49 -23.387 7.701 -15.218 1.00 63.13 H new ATOM 0 HH22 ARG A 49 -22.147 8.960 -15.174 1.00 63.13 H new ATOM 820 N LYS A 50 -23.331 2.228 -20.775 1.00 73.31 N ATOM 821 CA LYS A 50 -23.467 1.957 -22.201 1.00 51.02 C ATOM 822 C LYS A 50 -23.949 0.529 -22.440 1.00 1.10 C ATOM 823 O LYS A 50 -23.683 -0.368 -21.640 1.00 40.55 O ATOM 824 CB LYS A 50 -22.132 2.182 -22.914 1.00 3.14 C ATOM 825 CG LYS A 50 -21.019 1.275 -22.420 1.00 74.44 C ATOM 826 CD LYS A 50 -20.010 0.982 -23.518 1.00 4.14 C ATOM 827 CE LYS A 50 -19.420 -0.413 -23.377 1.00 23.33 C ATOM 828 NZ LYS A 50 -18.241 -0.609 -24.265 1.00 71.14 N ATOM 0 H LYS A 50 -22.375 2.172 -20.425 1.00 73.31 H new ATOM 0 HA LYS A 50 -24.209 2.645 -22.607 1.00 51.02 H new ATOM 0 HB2 LYS A 50 -22.270 2.025 -23.984 1.00 3.14 H new ATOM 0 HB3 LYS A 50 -21.829 3.221 -22.781 1.00 3.14 H new ATOM 0 HG2 LYS A 50 -20.514 1.744 -21.576 1.00 74.44 H new ATOM 0 HG3 LYS A 50 -21.445 0.340 -22.057 1.00 74.44 H new ATOM 0 HD2 LYS A 50 -20.492 1.077 -24.491 1.00 4.14 H new ATOM 0 HD3 LYS A 50 -19.210 1.721 -23.485 1.00 4.14 H new ATOM 0 HE2 LYS A 50 -19.126 -0.580 -22.341 1.00 23.33 H new ATOM 0 HE3 LYS A 50 -20.182 -1.155 -23.616 1.00 23.33 H new ATOM 0 HZ1 LYS A 50 -17.889 -1.582 -24.165 1.00 71.14 H new ATOM 0 HZ2 LYS A 50 -18.519 -0.442 -25.253 1.00 71.14 H new ATOM 0 HZ3 LYS A 50 -17.491 0.060 -23.998 1.00 71.14 H new ATOM 842 N TYR A 51 -24.657 0.326 -23.545 1.00 1.40 N ATOM 843 CA TYR A 51 -25.177 -0.993 -23.888 1.00 45.35 C ATOM 844 C TYR A 51 -24.709 -1.418 -25.278 1.00 4.32 C ATOM 845 O TYR A 51 -25.215 -0.933 -26.291 1.00 72.25 O ATOM 846 CB TYR A 51 -26.705 -0.992 -23.830 1.00 61.54 C ATOM 847 CG TYR A 51 -27.260 -0.567 -22.490 1.00 63.33 C ATOM 848 CD1 TYR A 51 -27.497 -1.500 -21.487 1.00 14.31 C ATOM 849 CD2 TYR A 51 -27.546 0.766 -22.226 1.00 11.41 C ATOM 850 CE1 TYR A 51 -28.006 -1.115 -20.261 1.00 64.22 C ATOM 851 CE2 TYR A 51 -28.053 1.160 -21.002 1.00 64.23 C ATOM 852 CZ TYR A 51 -28.281 0.216 -20.023 1.00 74.42 C ATOM 853 OH TYR A 51 -28.785 0.602 -18.803 1.00 54.03 O ATOM 0 H TYR A 51 -24.884 1.057 -24.219 1.00 1.40 H new ATOM 0 HA TYR A 51 -24.793 -1.708 -23.161 1.00 45.35 H new ATOM 0 HB2 TYR A 51 -27.089 -0.324 -24.601 1.00 61.54 H new ATOM 0 HB3 TYR A 51 -27.070 -1.992 -24.064 1.00 61.54 H new ATOM 0 HD1 TYR A 51 -27.280 -2.542 -21.669 1.00 14.31 H new ATOM 0 HD2 TYR A 51 -27.369 1.508 -22.991 1.00 11.41 H new ATOM 0 HE1 TYR A 51 -28.188 -1.852 -19.493 1.00 64.22 H new ATOM 0 HE2 TYR A 51 -28.269 2.201 -20.813 1.00 64.23 H new ATOM 0 HH TYR A 51 -28.045 0.787 -18.187 1.00 54.03 H new ATOM 863 N LEU A 52 -23.740 -2.326 -25.316 1.00 53.41 N ATOM 864 CA LEU A 52 -23.203 -2.818 -26.580 1.00 53.32 C ATOM 865 C LEU A 52 -24.239 -3.656 -27.323 1.00 10.14 C ATOM 866 O LEU A 52 -24.338 -4.865 -27.115 1.00 63.54 O ATOM 867 CB LEU A 52 -21.943 -3.647 -26.332 1.00 45.13 C ATOM 868 CG LEU A 52 -20.783 -3.411 -27.301 1.00 22.44 C ATOM 869 CD1 LEU A 52 -21.266 -3.489 -28.741 1.00 64.31 C ATOM 870 CD2 LEU A 52 -20.126 -2.065 -27.029 1.00 51.20 C ATOM 0 H LEU A 52 -23.310 -2.736 -24.487 1.00 53.41 H new ATOM 0 HA LEU A 52 -22.949 -1.957 -27.198 1.00 53.32 H new ATOM 0 HB2 LEU A 52 -21.592 -3.444 -25.320 1.00 45.13 H new ATOM 0 HB3 LEU A 52 -22.213 -4.702 -26.370 1.00 45.13 H new ATOM 0 HG LEU A 52 -20.040 -4.193 -27.146 1.00 22.44 H new ATOM 0 HD11 LEU A 52 -20.427 -3.319 -29.416 1.00 64.31 H new ATOM 0 HD12 LEU A 52 -21.689 -4.476 -28.930 1.00 64.31 H new ATOM 0 HD13 LEU A 52 -22.028 -2.729 -28.911 1.00 64.31 H new ATOM 0 HD21 LEU A 52 -19.303 -1.914 -27.728 1.00 51.20 H new ATOM 0 HD22 LEU A 52 -20.860 -1.269 -27.156 1.00 51.20 H new ATOM 0 HD23 LEU A 52 -19.744 -2.046 -26.008 1.00 51.20 H new ATOM 882 N VAL A 53 -25.009 -3.006 -28.189 1.00 2.41 N ATOM 883 CA VAL A 53 -26.036 -3.690 -28.965 1.00 62.44 C ATOM 884 C VAL A 53 -25.578 -3.919 -30.402 1.00 21.24 C ATOM 885 O VAL A 53 -25.185 -2.991 -31.109 1.00 11.24 O ATOM 886 CB VAL A 53 -27.354 -2.896 -28.978 1.00 2.53 C ATOM 887 CG1 VAL A 53 -28.418 -3.639 -29.771 1.00 10.42 C ATOM 888 CG2 VAL A 53 -27.827 -2.626 -27.557 1.00 11.31 C ATOM 0 H VAL A 53 -24.941 -2.005 -28.371 1.00 2.41 H new ATOM 0 HA VAL A 53 -26.207 -4.653 -28.483 1.00 62.44 H new ATOM 0 HB VAL A 53 -27.176 -1.938 -29.466 1.00 2.53 H new ATOM 0 HG11 VAL A 53 -29.343 -3.062 -29.769 1.00 10.42 H new ATOM 0 HG12 VAL A 53 -28.078 -3.775 -30.798 1.00 10.42 H new ATOM 0 HG13 VAL A 53 -28.597 -4.613 -29.316 1.00 10.42 H new ATOM 0 HG21 VAL A 53 -28.760 -2.064 -27.585 1.00 11.31 H new ATOM 0 HG22 VAL A 53 -27.989 -3.573 -27.041 1.00 11.31 H new ATOM 0 HG23 VAL A 53 -27.071 -2.048 -27.025 1.00 11.31 H new ATOM 898 N PRO A 54 -25.629 -5.184 -30.845 1.00 14.55 N ATOM 899 CA PRO A 54 -25.225 -5.563 -32.202 1.00 22.51 C ATOM 900 C PRO A 54 -26.194 -5.049 -33.261 1.00 52.32 C ATOM 901 O PRO A 54 -27.381 -4.866 -32.993 1.00 0.20 O ATOM 902 CB PRO A 54 -25.240 -7.094 -32.160 1.00 44.35 C ATOM 903 CG PRO A 54 -26.207 -7.434 -31.081 1.00 14.32 C ATOM 904 CD PRO A 54 -26.086 -6.340 -30.056 1.00 31.01 C ATOM 0 HA PRO A 54 -24.258 -5.139 -32.474 1.00 22.51 H new ATOM 0 HB2 PRO A 54 -25.551 -7.513 -33.117 1.00 44.35 H new ATOM 0 HB3 PRO A 54 -24.249 -7.494 -31.944 1.00 44.35 H new ATOM 0 HG2 PRO A 54 -27.223 -7.492 -31.472 1.00 14.32 H new ATOM 0 HG3 PRO A 54 -25.978 -8.406 -30.644 1.00 14.32 H new ATOM 0 HD2 PRO A 54 -27.039 -6.141 -29.566 1.00 31.01 H new ATOM 0 HD3 PRO A 54 -25.373 -6.600 -29.273 1.00 31.01 H new ATOM 912 N ALA A 55 -25.680 -4.819 -34.465 1.00 33.11 N ATOM 913 CA ALA A 55 -26.500 -4.328 -35.564 1.00 54.53 C ATOM 914 C ALA A 55 -27.579 -5.340 -35.939 1.00 11.44 C ATOM 915 O ALA A 55 -28.524 -5.016 -36.658 1.00 34.42 O ATOM 916 CB ALA A 55 -25.630 -4.010 -36.772 1.00 13.33 C ATOM 0 H ALA A 55 -24.699 -4.965 -34.703 1.00 33.11 H new ATOM 0 HA ALA A 55 -26.994 -3.414 -35.235 1.00 54.53 H new ATOM 0 HB1 ALA A 55 -26.257 -3.644 -37.585 1.00 13.33 H new ATOM 0 HB2 ALA A 55 -24.900 -3.246 -36.504 1.00 13.33 H new ATOM 0 HB3 ALA A 55 -25.109 -4.912 -37.093 1.00 13.33 H new ATOM 922 N ASP A 56 -27.429 -6.565 -35.448 1.00 61.21 N ATOM 923 CA ASP A 56 -28.390 -7.624 -35.730 1.00 73.24 C ATOM 924 C ASP A 56 -29.303 -7.865 -34.533 1.00 12.25 C ATOM 925 O ASP A 56 -29.915 -8.926 -34.406 1.00 62.41 O ATOM 926 CB ASP A 56 -27.663 -8.918 -36.100 1.00 44.42 C ATOM 927 CG ASP A 56 -28.605 -9.982 -36.629 1.00 4.34 C ATOM 928 OD1 ASP A 56 -29.435 -9.657 -37.503 1.00 63.53 O ATOM 929 OD2 ASP A 56 -28.510 -11.139 -36.168 1.00 41.32 O ATOM 0 H ASP A 56 -26.651 -6.849 -34.853 1.00 61.21 H new ATOM 0 HA ASP A 56 -29.003 -7.306 -36.573 1.00 73.24 H new ATOM 0 HB2 ASP A 56 -26.904 -8.702 -36.852 1.00 44.42 H new ATOM 0 HB3 ASP A 56 -27.142 -9.302 -35.223 1.00 44.42 H new ATOM 934 N LEU A 57 -29.390 -6.872 -33.653 1.00 13.42 N ATOM 935 CA LEU A 57 -30.227 -6.974 -32.463 1.00 74.35 C ATOM 936 C LEU A 57 -31.658 -6.540 -32.764 1.00 43.14 C ATOM 937 O LEU A 57 -31.884 -5.532 -33.435 1.00 73.42 O ATOM 938 CB LEU A 57 -29.650 -6.120 -31.334 1.00 63.21 C ATOM 939 CG LEU A 57 -29.885 -6.637 -29.914 1.00 23.01 C ATOM 940 CD1 LEU A 57 -31.367 -6.617 -29.577 1.00 34.15 C ATOM 941 CD2 LEU A 57 -29.319 -8.041 -29.757 1.00 74.11 C ATOM 0 H LEU A 57 -28.891 -5.987 -33.742 1.00 13.42 H new ATOM 0 HA LEU A 57 -30.242 -8.018 -32.149 1.00 74.35 H new ATOM 0 HB2 LEU A 57 -28.576 -6.024 -31.491 1.00 63.21 H new ATOM 0 HB3 LEU A 57 -30.074 -5.119 -31.410 1.00 63.21 H new ATOM 0 HG LEU A 57 -29.367 -5.978 -29.218 1.00 23.01 H new ATOM 0 HD11 LEU A 57 -31.515 -6.988 -28.563 1.00 34.15 H new ATOM 0 HD12 LEU A 57 -31.743 -5.596 -29.648 1.00 34.15 H new ATOM 0 HD13 LEU A 57 -31.908 -7.252 -30.278 1.00 34.15 H new ATOM 0 HD21 LEU A 57 -29.495 -8.393 -28.740 1.00 74.11 H new ATOM 0 HD22 LEU A 57 -29.809 -8.712 -30.463 1.00 74.11 H new ATOM 0 HD23 LEU A 57 -28.247 -8.025 -29.955 1.00 74.11 H new ATOM 953 N THR A 58 -32.622 -7.306 -32.263 1.00 50.43 N ATOM 954 CA THR A 58 -34.031 -7.000 -32.478 1.00 3.52 C ATOM 955 C THR A 58 -34.697 -6.545 -31.184 1.00 53.13 C ATOM 956 O THR A 58 -34.176 -6.770 -30.093 1.00 12.13 O ATOM 957 CB THR A 58 -34.792 -8.218 -33.034 1.00 40.12 C ATOM 958 OG1 THR A 58 -34.713 -9.308 -32.109 1.00 54.41 O ATOM 959 CG2 THR A 58 -34.223 -8.644 -34.378 1.00 53.05 C ATOM 0 H THR A 58 -32.453 -8.143 -31.705 1.00 50.43 H new ATOM 0 HA THR A 58 -34.072 -6.192 -33.209 1.00 3.52 H new ATOM 0 HB THR A 58 -35.835 -7.935 -33.173 1.00 40.12 H new ATOM 0 HG1 THR A 58 -35.201 -10.078 -32.469 1.00 54.41 H new ATOM 0 HG21 THR A 58 -34.776 -9.506 -34.751 1.00 53.05 H new ATOM 0 HG22 THR A 58 -34.311 -7.821 -35.088 1.00 53.05 H new ATOM 0 HG23 THR A 58 -33.173 -8.911 -34.260 1.00 53.05 H new ATOM 967 N VAL A 59 -35.855 -5.904 -31.315 1.00 32.45 N ATOM 968 CA VAL A 59 -36.595 -5.419 -30.155 1.00 0.22 C ATOM 969 C VAL A 59 -36.792 -6.527 -29.126 1.00 54.42 C ATOM 970 O VAL A 59 -36.529 -6.341 -27.940 1.00 21.11 O ATOM 971 CB VAL A 59 -37.971 -4.859 -30.562 1.00 32.35 C ATOM 972 CG1 VAL A 59 -38.777 -4.476 -29.330 1.00 1.04 C ATOM 973 CG2 VAL A 59 -37.807 -3.667 -31.493 1.00 24.31 C ATOM 0 H VAL A 59 -36.300 -5.709 -32.212 1.00 32.45 H new ATOM 0 HA VAL A 59 -36.002 -4.619 -29.712 1.00 0.22 H new ATOM 0 HB VAL A 59 -38.516 -5.636 -31.097 1.00 32.35 H new ATOM 0 HG11 VAL A 59 -39.746 -4.082 -29.637 1.00 1.04 H new ATOM 0 HG12 VAL A 59 -38.925 -5.356 -28.704 1.00 1.04 H new ATOM 0 HG13 VAL A 59 -38.239 -3.715 -28.765 1.00 1.04 H new ATOM 0 HG21 VAL A 59 -38.789 -3.284 -31.770 1.00 24.31 H new ATOM 0 HG22 VAL A 59 -37.242 -2.884 -30.986 1.00 24.31 H new ATOM 0 HG23 VAL A 59 -37.272 -3.977 -32.390 1.00 24.31 H new ATOM 983 N GLY A 60 -37.259 -7.683 -29.592 1.00 4.24 N ATOM 984 CA GLY A 60 -37.483 -8.804 -28.699 1.00 53.33 C ATOM 985 C GLY A 60 -36.211 -9.271 -28.022 1.00 1.11 C ATOM 986 O GLY A 60 -36.180 -9.456 -26.805 1.00 64.13 O ATOM 0 H GLY A 60 -37.485 -7.862 -30.570 1.00 4.24 H new ATOM 0 HA2 GLY A 60 -38.211 -8.519 -27.940 1.00 53.33 H new ATOM 0 HA3 GLY A 60 -37.916 -9.631 -29.261 1.00 53.33 H new ATOM 990 N GLN A 61 -35.159 -9.463 -28.811 1.00 62.31 N ATOM 991 CA GLN A 61 -33.878 -9.914 -28.280 1.00 2.03 C ATOM 992 C GLN A 61 -33.336 -8.925 -27.253 1.00 71.03 C ATOM 993 O GLN A 61 -32.630 -9.307 -26.320 1.00 34.31 O ATOM 994 CB GLN A 61 -32.866 -10.095 -29.414 1.00 14.12 C ATOM 995 CG GLN A 61 -32.211 -11.466 -29.430 1.00 23.24 C ATOM 996 CD GLN A 61 -31.583 -11.797 -30.770 1.00 54.43 C ATOM 997 OE1 GLN A 61 -32.043 -12.692 -31.480 1.00 31.24 O ATOM 998 NE2 GLN A 61 -30.527 -11.075 -31.124 1.00 33.24 N ATOM 0 H GLN A 61 -35.168 -9.313 -29.820 1.00 62.31 H new ATOM 0 HA GLN A 61 -34.036 -10.873 -27.787 1.00 2.03 H new ATOM 0 HB2 GLN A 61 -33.368 -9.930 -30.368 1.00 14.12 H new ATOM 0 HB3 GLN A 61 -32.092 -9.333 -29.325 1.00 14.12 H new ATOM 0 HG2 GLN A 61 -31.446 -11.508 -28.654 1.00 23.24 H new ATOM 0 HG3 GLN A 61 -32.956 -12.223 -29.185 1.00 23.24 H new ATOM 0 HE21 GLN A 61 -30.179 -10.343 -30.505 1.00 33.24 H new ATOM 0 HE22 GLN A 61 -30.064 -11.252 -32.015 1.00 33.24 H new ATOM 1007 N PHE A 62 -33.671 -7.651 -27.432 1.00 32.31 N ATOM 1008 CA PHE A 62 -33.216 -6.607 -26.521 1.00 55.31 C ATOM 1009 C PHE A 62 -33.985 -6.662 -25.204 1.00 11.35 C ATOM 1010 O PHE A 62 -33.401 -6.557 -24.125 1.00 42.23 O ATOM 1011 CB PHE A 62 -33.385 -5.230 -27.166 1.00 42.51 C ATOM 1012 CG PHE A 62 -32.736 -4.120 -26.389 1.00 63.31 C ATOM 1013 CD1 PHE A 62 -31.483 -4.293 -25.824 1.00 34.51 C ATOM 1014 CD2 PHE A 62 -33.378 -2.904 -26.225 1.00 11.44 C ATOM 1015 CE1 PHE A 62 -30.883 -3.274 -25.109 1.00 21.32 C ATOM 1016 CE2 PHE A 62 -32.783 -1.881 -25.511 1.00 72.50 C ATOM 1017 CZ PHE A 62 -31.534 -2.067 -24.951 1.00 15.04 C ATOM 0 H PHE A 62 -34.255 -7.317 -28.199 1.00 32.31 H new ATOM 0 HA PHE A 62 -32.160 -6.776 -26.312 1.00 55.31 H new ATOM 0 HB2 PHE A 62 -32.963 -5.254 -28.171 1.00 42.51 H new ATOM 0 HB3 PHE A 62 -34.448 -5.015 -27.272 1.00 42.51 H new ATOM 0 HD1 PHE A 62 -30.969 -5.235 -25.944 1.00 34.51 H new ATOM 0 HD2 PHE A 62 -34.355 -2.753 -26.660 1.00 11.44 H new ATOM 0 HE1 PHE A 62 -29.906 -3.422 -24.674 1.00 21.32 H new ATOM 0 HE2 PHE A 62 -33.294 -0.937 -25.391 1.00 72.50 H new ATOM 0 HZ PHE A 62 -31.068 -1.270 -24.391 1.00 15.04 H new ATOM 1027 N VAL A 63 -35.301 -6.825 -25.300 1.00 2.51 N ATOM 1028 CA VAL A 63 -36.151 -6.893 -24.118 1.00 31.31 C ATOM 1029 C VAL A 63 -35.833 -8.130 -23.283 1.00 4.33 C ATOM 1030 O VAL A 63 -35.892 -8.093 -22.054 1.00 52.10 O ATOM 1031 CB VAL A 63 -37.643 -6.916 -24.499 1.00 53.21 C ATOM 1032 CG1 VAL A 63 -38.513 -6.982 -23.253 1.00 72.53 C ATOM 1033 CG2 VAL A 63 -37.996 -5.699 -25.342 1.00 21.13 C ATOM 0 H VAL A 63 -35.801 -6.912 -26.185 1.00 2.51 H new ATOM 0 HA VAL A 63 -35.947 -5.998 -23.530 1.00 31.31 H new ATOM 0 HB VAL A 63 -37.834 -7.810 -25.093 1.00 53.21 H new ATOM 0 HG11 VAL A 63 -39.564 -6.997 -23.543 1.00 72.53 H new ATOM 0 HG12 VAL A 63 -38.278 -7.887 -22.693 1.00 72.53 H new ATOM 0 HG13 VAL A 63 -38.322 -6.109 -22.629 1.00 72.53 H new ATOM 0 HG21 VAL A 63 -39.054 -5.731 -25.602 1.00 21.13 H new ATOM 0 HG22 VAL A 63 -37.789 -4.791 -24.775 1.00 21.13 H new ATOM 0 HG23 VAL A 63 -37.398 -5.702 -26.253 1.00 21.13 H new ATOM 1043 N TYR A 64 -35.495 -9.221 -23.959 1.00 73.31 N ATOM 1044 CA TYR A 64 -35.169 -10.470 -23.280 1.00 63.42 C ATOM 1045 C TYR A 64 -33.928 -10.307 -22.408 1.00 22.20 C ATOM 1046 O TYR A 64 -33.930 -10.666 -21.231 1.00 34.23 O ATOM 1047 CB TYR A 64 -34.945 -11.586 -24.301 1.00 74.42 C ATOM 1048 CG TYR A 64 -34.575 -12.914 -23.677 1.00 14.44 C ATOM 1049 CD1 TYR A 64 -35.239 -13.382 -22.550 1.00 21.45 C ATOM 1050 CD2 TYR A 64 -33.563 -13.698 -24.214 1.00 65.33 C ATOM 1051 CE1 TYR A 64 -34.903 -14.593 -21.976 1.00 12.35 C ATOM 1052 CE2 TYR A 64 -33.221 -14.910 -23.648 1.00 74.21 C ATOM 1053 CZ TYR A 64 -33.894 -15.353 -22.528 1.00 61.50 C ATOM 1054 OH TYR A 64 -33.558 -16.561 -21.960 1.00 73.41 O ATOM 0 H TYR A 64 -35.439 -9.267 -24.976 1.00 73.31 H new ATOM 0 HA TYR A 64 -36.009 -10.736 -22.639 1.00 63.42 H new ATOM 0 HB2 TYR A 64 -35.851 -11.712 -24.893 1.00 74.42 H new ATOM 0 HB3 TYR A 64 -34.155 -11.285 -24.989 1.00 74.42 H new ATOM 0 HD1 TYR A 64 -36.031 -12.790 -22.116 1.00 21.45 H new ATOM 0 HD2 TYR A 64 -33.034 -13.354 -25.090 1.00 65.33 H new ATOM 0 HE1 TYR A 64 -35.428 -14.942 -21.099 1.00 12.35 H new ATOM 0 HE2 TYR A 64 -32.432 -15.508 -24.079 1.00 74.21 H new ATOM 0 HH TYR A 64 -32.829 -16.971 -22.471 1.00 73.41 H new ATOM 1064 N VAL A 65 -32.866 -9.762 -22.995 1.00 33.44 N ATOM 1065 CA VAL A 65 -31.618 -9.550 -22.272 1.00 50.33 C ATOM 1066 C VAL A 65 -31.778 -8.474 -21.203 1.00 51.33 C ATOM 1067 O VAL A 65 -31.163 -8.546 -20.139 1.00 44.21 O ATOM 1068 CB VAL A 65 -30.479 -9.144 -23.226 1.00 73.34 C ATOM 1069 CG1 VAL A 65 -30.140 -10.289 -24.169 1.00 73.15 C ATOM 1070 CG2 VAL A 65 -30.858 -7.894 -24.007 1.00 35.10 C ATOM 0 H VAL A 65 -32.846 -9.460 -23.969 1.00 33.44 H new ATOM 0 HA VAL A 65 -31.363 -10.497 -21.796 1.00 50.33 H new ATOM 0 HB VAL A 65 -29.593 -8.919 -22.632 1.00 73.34 H new ATOM 0 HG11 VAL A 65 -29.333 -9.984 -24.836 1.00 73.15 H new ATOM 0 HG12 VAL A 65 -29.824 -11.156 -23.589 1.00 73.15 H new ATOM 0 HG13 VAL A 65 -31.020 -10.548 -24.758 1.00 73.15 H new ATOM 0 HG21 VAL A 65 -30.042 -7.622 -24.676 1.00 35.10 H new ATOM 0 HG22 VAL A 65 -31.757 -8.089 -24.592 1.00 35.10 H new ATOM 0 HG23 VAL A 65 -31.047 -7.075 -23.313 1.00 35.10 H new ATOM 1080 N ILE A 66 -32.608 -7.478 -21.494 1.00 64.23 N ATOM 1081 CA ILE A 66 -32.850 -6.388 -20.557 1.00 61.23 C ATOM 1082 C ILE A 66 -33.281 -6.919 -19.195 1.00 72.13 C ATOM 1083 O ILE A 66 -32.752 -6.510 -18.162 1.00 23.33 O ATOM 1084 CB ILE A 66 -33.928 -5.422 -21.084 1.00 44.11 C ATOM 1085 CG1 ILE A 66 -33.298 -4.372 -22.001 1.00 54.52 C ATOM 1086 CG2 ILE A 66 -34.652 -4.754 -19.924 1.00 53.34 C ATOM 1087 CD1 ILE A 66 -32.396 -3.399 -21.277 1.00 31.11 C ATOM 0 H ILE A 66 -33.124 -7.403 -22.371 1.00 64.23 H new ATOM 0 HA ILE A 66 -31.909 -5.848 -20.452 1.00 61.23 H new ATOM 0 HB ILE A 66 -34.656 -5.992 -21.662 1.00 44.11 H new ATOM 0 HG12 ILE A 66 -32.724 -4.877 -22.778 1.00 54.52 H new ATOM 0 HG13 ILE A 66 -34.091 -3.816 -22.501 1.00 54.52 H new ATOM 0 HG21 ILE A 66 -35.411 -4.074 -20.312 1.00 53.34 H new ATOM 0 HG22 ILE A 66 -35.128 -5.515 -19.306 1.00 53.34 H new ATOM 0 HG23 ILE A 66 -33.936 -4.194 -19.323 1.00 53.34 H new ATOM 0 HD11 ILE A 66 -31.985 -2.684 -21.990 1.00 31.11 H new ATOM 0 HD12 ILE A 66 -32.970 -2.866 -20.519 1.00 31.11 H new ATOM 0 HD13 ILE A 66 -31.582 -3.944 -20.799 1.00 31.11 H new ATOM 1099 N ARG A 67 -34.244 -7.835 -19.201 1.00 14.31 N ATOM 1100 CA ARG A 67 -34.747 -8.424 -17.965 1.00 44.34 C ATOM 1101 C ARG A 67 -33.601 -8.969 -17.118 1.00 24.01 C ATOM 1102 O ARG A 67 -33.624 -8.877 -15.891 1.00 4.21 O ATOM 1103 CB ARG A 67 -35.743 -9.543 -18.277 1.00 65.30 C ATOM 1104 CG ARG A 67 -37.095 -9.359 -17.607 1.00 62.44 C ATOM 1105 CD ARG A 67 -38.001 -10.557 -17.844 1.00 2.03 C ATOM 1106 NE ARG A 67 -37.339 -11.817 -17.519 1.00 40.25 N ATOM 1107 CZ ARG A 67 -37.810 -13.008 -17.873 1.00 3.22 C ATOM 1108 NH1 ARG A 67 -38.941 -13.100 -18.559 1.00 43.20 N ATOM 1109 NH2 ARG A 67 -37.150 -14.110 -17.540 1.00 33.12 N ATOM 0 H ARG A 67 -34.692 -8.186 -20.048 1.00 14.31 H new ATOM 0 HA ARG A 67 -35.255 -7.643 -17.399 1.00 44.34 H new ATOM 0 HB2 ARG A 67 -35.886 -9.600 -19.356 1.00 65.30 H new ATOM 0 HB3 ARG A 67 -35.317 -10.495 -17.961 1.00 65.30 H new ATOM 0 HG2 ARG A 67 -36.955 -9.214 -16.536 1.00 62.44 H new ATOM 0 HG3 ARG A 67 -37.573 -8.458 -17.991 1.00 62.44 H new ATOM 0 HD2 ARG A 67 -38.902 -10.455 -17.240 1.00 2.03 H new ATOM 0 HD3 ARG A 67 -38.317 -10.572 -18.887 1.00 2.03 H new ATOM 0 HE ARG A 67 -36.467 -11.781 -16.991 1.00 40.25 H new ATOM 0 HH11 ARG A 67 -39.452 -12.255 -18.816 1.00 43.20 H new ATOM 0 HH12 ARG A 67 -39.300 -14.015 -18.830 1.00 43.20 H new ATOM 0 HH21 ARG A 67 -36.280 -14.043 -17.012 1.00 33.12 H new ATOM 0 HH22 ARG A 67 -37.513 -15.024 -17.812 1.00 33.12 H new ATOM 1123 N LYS A 68 -32.600 -9.538 -17.782 1.00 31.23 N ATOM 1124 CA LYS A 68 -31.445 -10.097 -17.090 1.00 65.13 C ATOM 1125 C LYS A 68 -30.466 -8.998 -16.687 1.00 14.41 C ATOM 1126 O LYS A 68 -29.698 -9.156 -15.739 1.00 24.22 O ATOM 1127 CB LYS A 68 -30.738 -11.121 -17.983 1.00 23.04 C ATOM 1128 CG LYS A 68 -29.639 -11.891 -17.272 1.00 4.34 C ATOM 1129 CD LYS A 68 -28.532 -12.297 -18.230 1.00 65.12 C ATOM 1130 CE LYS A 68 -27.385 -12.980 -17.501 1.00 5.30 C ATOM 1131 NZ LYS A 68 -26.572 -12.010 -16.716 1.00 21.11 N ATOM 0 H LYS A 68 -32.566 -9.624 -18.798 1.00 31.23 H new ATOM 0 HA LYS A 68 -31.799 -10.593 -16.186 1.00 65.13 H new ATOM 0 HB2 LYS A 68 -31.475 -11.827 -18.366 1.00 23.04 H new ATOM 0 HB3 LYS A 68 -30.311 -10.607 -18.844 1.00 23.04 H new ATOM 0 HG2 LYS A 68 -29.223 -11.278 -16.473 1.00 4.34 H new ATOM 0 HG3 LYS A 68 -30.061 -12.781 -16.804 1.00 4.34 H new ATOM 0 HD2 LYS A 68 -28.934 -12.969 -18.988 1.00 65.12 H new ATOM 0 HD3 LYS A 68 -28.159 -11.415 -18.751 1.00 65.12 H new ATOM 0 HE2 LYS A 68 -27.783 -13.745 -16.834 1.00 5.30 H new ATOM 0 HE3 LYS A 68 -26.747 -13.488 -18.224 1.00 5.30 H new ATOM 0 HZ1 LYS A 68 -25.743 -12.495 -16.317 1.00 21.11 H new ATOM 0 HZ2 LYS A 68 -26.256 -11.239 -17.338 1.00 21.11 H new ATOM 0 HZ3 LYS A 68 -27.149 -11.618 -15.944 1.00 21.11 H new ATOM 1145 N ARG A 69 -30.504 -7.885 -17.411 1.00 50.21 N ATOM 1146 CA ARG A 69 -29.621 -6.759 -17.127 1.00 12.30 C ATOM 1147 C ARG A 69 -30.077 -6.013 -15.877 1.00 40.51 C ATOM 1148 O ARG A 69 -29.259 -5.610 -15.049 1.00 74.43 O ATOM 1149 CB ARG A 69 -29.581 -5.802 -18.320 1.00 24.12 C ATOM 1150 CG ARG A 69 -28.250 -5.086 -18.481 1.00 23.11 C ATOM 1151 CD ARG A 69 -28.123 -4.449 -19.855 1.00 61.55 C ATOM 1152 NE ARG A 69 -27.869 -5.441 -20.897 1.00 62.32 N ATOM 1153 CZ ARG A 69 -26.713 -6.080 -21.038 1.00 60.34 C ATOM 1154 NH1 ARG A 69 -25.710 -5.834 -20.206 1.00 43.54 N ATOM 1155 NH2 ARG A 69 -26.559 -6.970 -22.011 1.00 3.43 N ATOM 0 H ARG A 69 -31.136 -7.738 -18.198 1.00 50.21 H new ATOM 0 HA ARG A 69 -28.619 -7.150 -16.950 1.00 12.30 H new ATOM 0 HB2 ARG A 69 -29.796 -6.361 -19.231 1.00 24.12 H new ATOM 0 HB3 ARG A 69 -30.372 -5.060 -18.207 1.00 24.12 H new ATOM 0 HG2 ARG A 69 -28.153 -4.319 -17.713 1.00 23.11 H new ATOM 0 HG3 ARG A 69 -27.435 -5.793 -18.330 1.00 23.11 H new ATOM 0 HD2 ARG A 69 -29.038 -3.905 -20.088 1.00 61.55 H new ATOM 0 HD3 ARG A 69 -27.313 -3.720 -19.843 1.00 61.55 H new ATOM 0 HE ARG A 69 -28.621 -5.655 -21.552 1.00 62.32 H new ATOM 0 HH11 ARG A 69 -25.825 -5.153 -19.456 1.00 43.54 H new ATOM 0 HH12 ARG A 69 -24.823 -6.326 -20.316 1.00 43.54 H new ATOM 0 HH21 ARG A 69 -27.329 -7.164 -22.651 1.00 3.43 H new ATOM 0 HH22 ARG A 69 -25.671 -7.460 -22.118 1.00 3.43 H new ATOM 1169 N ILE A 70 -31.387 -5.829 -15.749 1.00 15.10 N ATOM 1170 CA ILE A 70 -31.951 -5.132 -14.601 1.00 13.44 C ATOM 1171 C ILE A 70 -32.209 -6.093 -13.445 1.00 4.55 C ATOM 1172 O ILE A 70 -32.792 -5.715 -12.428 1.00 71.34 O ATOM 1173 CB ILE A 70 -33.269 -4.421 -14.964 1.00 44.25 C ATOM 1174 CG1 ILE A 70 -33.217 -3.913 -16.407 1.00 14.10 C ATOM 1175 CG2 ILE A 70 -33.535 -3.273 -14.002 1.00 43.44 C ATOM 1176 CD1 ILE A 70 -34.044 -2.667 -16.639 1.00 60.53 C ATOM 0 H ILE A 70 -32.077 -6.153 -16.427 1.00 15.10 H new ATOM 0 HA ILE A 70 -31.217 -4.387 -14.295 1.00 13.44 H new ATOM 0 HB ILE A 70 -34.087 -5.137 -14.878 1.00 44.25 H new ATOM 0 HG12 ILE A 70 -32.181 -3.706 -16.674 1.00 14.10 H new ATOM 0 HG13 ILE A 70 -33.567 -4.701 -17.074 1.00 14.10 H new ATOM 0 HG21 ILE A 70 -34.469 -2.781 -14.272 1.00 43.44 H new ATOM 0 HG22 ILE A 70 -33.609 -3.660 -12.986 1.00 43.44 H new ATOM 0 HG23 ILE A 70 -32.717 -2.554 -14.058 1.00 43.44 H new ATOM 0 HD11 ILE A 70 -33.960 -2.364 -17.683 1.00 60.53 H new ATOM 0 HD12 ILE A 70 -35.088 -2.874 -16.404 1.00 60.53 H new ATOM 0 HD13 ILE A 70 -33.680 -1.864 -15.998 1.00 60.53 H new ATOM 1188 N MET A 71 -31.766 -7.336 -13.607 1.00 15.55 N ATOM 1189 CA MET A 71 -31.947 -8.351 -12.575 1.00 42.21 C ATOM 1190 C MET A 71 -33.395 -8.392 -12.099 1.00 43.02 C ATOM 1191 O MET A 71 -33.666 -8.621 -10.920 1.00 23.11 O ATOM 1192 CB MET A 71 -31.017 -8.075 -11.392 1.00 21.44 C ATOM 1193 CG MET A 71 -29.636 -7.593 -11.803 1.00 43.44 C ATOM 1194 SD MET A 71 -28.746 -8.802 -12.802 1.00 4.41 S ATOM 1195 CE MET A 71 -27.085 -8.617 -12.159 1.00 24.05 C ATOM 0 H MET A 71 -31.280 -7.664 -14.442 1.00 15.55 H new ATOM 0 HA MET A 71 -31.698 -9.321 -13.007 1.00 42.21 H new ATOM 0 HB2 MET A 71 -31.477 -7.327 -10.746 1.00 21.44 H new ATOM 0 HB3 MET A 71 -30.914 -8.985 -10.802 1.00 21.44 H new ATOM 0 HG2 MET A 71 -29.732 -6.664 -12.365 1.00 43.44 H new ATOM 0 HG3 MET A 71 -29.054 -7.367 -10.910 1.00 43.44 H new ATOM 0 HE1 MET A 71 -26.415 -9.302 -12.679 1.00 24.05 H new ATOM 0 HE2 MET A 71 -26.747 -7.592 -12.313 1.00 24.05 H new ATOM 0 HE3 MET A 71 -27.080 -8.845 -11.093 1.00 24.05 H new ATOM 1205 N LEU A 72 -34.323 -8.169 -13.024 1.00 3.53 N ATOM 1206 CA LEU A 72 -35.745 -8.179 -12.698 1.00 60.41 C ATOM 1207 C LEU A 72 -36.286 -9.606 -12.672 1.00 3.23 C ATOM 1208 O LEU A 72 -35.955 -10.437 -13.518 1.00 1.31 O ATOM 1209 CB LEU A 72 -36.528 -7.343 -13.712 1.00 62.34 C ATOM 1210 CG LEU A 72 -38.048 -7.348 -13.555 1.00 13.23 C ATOM 1211 CD1 LEU A 72 -38.504 -6.140 -12.751 1.00 35.02 C ATOM 1212 CD2 LEU A 72 -38.725 -7.370 -14.918 1.00 30.15 C ATOM 0 H LEU A 72 -34.116 -7.979 -14.005 1.00 3.53 H new ATOM 0 HA LEU A 72 -35.869 -7.744 -11.706 1.00 60.41 H new ATOM 0 HB2 LEU A 72 -36.180 -6.312 -13.649 1.00 62.34 H new ATOM 0 HB3 LEU A 72 -36.285 -7.701 -14.713 1.00 62.34 H new ATOM 0 HG LEU A 72 -38.336 -8.250 -13.014 1.00 13.23 H new ATOM 0 HD11 LEU A 72 -39.589 -6.159 -12.649 1.00 35.02 H new ATOM 0 HD12 LEU A 72 -38.046 -6.167 -11.762 1.00 35.02 H new ATOM 0 HD13 LEU A 72 -38.204 -5.227 -13.265 1.00 35.02 H new ATOM 0 HD21 LEU A 72 -39.807 -7.373 -14.787 1.00 30.15 H new ATOM 0 HD22 LEU A 72 -38.431 -6.487 -15.485 1.00 30.15 H new ATOM 0 HD23 LEU A 72 -38.423 -8.266 -15.460 1.00 30.15 H new ATOM 1224 N PRO A 73 -37.141 -9.897 -11.680 1.00 3.54 N ATOM 1225 CA PRO A 73 -37.748 -11.221 -11.521 1.00 52.12 C ATOM 1226 C PRO A 73 -38.763 -11.528 -12.617 1.00 33.43 C ATOM 1227 O PRO A 73 -39.192 -10.648 -13.363 1.00 44.14 O ATOM 1228 CB PRO A 73 -38.441 -11.133 -10.160 1.00 13.41 C ATOM 1229 CG PRO A 73 -38.713 -9.681 -9.967 1.00 1.34 C ATOM 1230 CD PRO A 73 -37.580 -8.955 -10.637 1.00 3.12 C ATOM 0 HA PRO A 73 -37.008 -12.019 -11.587 1.00 52.12 H new ATOM 0 HB2 PRO A 73 -39.363 -11.714 -10.147 1.00 13.41 H new ATOM 0 HB3 PRO A 73 -37.806 -11.526 -9.366 1.00 13.41 H new ATOM 0 HG2 PRO A 73 -39.670 -9.401 -10.407 1.00 1.34 H new ATOM 0 HG3 PRO A 73 -38.764 -9.431 -8.907 1.00 1.34 H new ATOM 0 HD2 PRO A 73 -37.907 -8.007 -11.064 1.00 3.12 H new ATOM 0 HD3 PRO A 73 -36.777 -8.729 -9.936 1.00 3.12 H new ATOM 1238 N PRO A 74 -39.159 -12.806 -12.717 1.00 45.12 N ATOM 1239 CA PRO A 74 -40.129 -13.259 -13.719 1.00 44.42 C ATOM 1240 C PRO A 74 -41.535 -12.743 -13.437 1.00 33.02 C ATOM 1241 O PRO A 74 -42.295 -12.448 -14.359 1.00 1.40 O ATOM 1242 CB PRO A 74 -40.083 -14.783 -13.594 1.00 51.14 C ATOM 1243 CG PRO A 74 -39.624 -15.036 -12.200 1.00 24.24 C ATOM 1244 CD PRO A 74 -38.688 -13.908 -11.861 1.00 31.31 C ATOM 0 HA PRO A 74 -39.886 -12.893 -14.717 1.00 44.42 H new ATOM 0 HB2 PRO A 74 -41.063 -15.225 -13.774 1.00 51.14 H new ATOM 0 HB3 PRO A 74 -39.398 -15.219 -14.321 1.00 51.14 H new ATOM 0 HG2 PRO A 74 -40.468 -15.064 -11.510 1.00 24.24 H new ATOM 0 HG3 PRO A 74 -39.119 -15.999 -12.124 1.00 24.24 H new ATOM 0 HD2 PRO A 74 -38.740 -13.646 -10.804 1.00 31.31 H new ATOM 0 HD3 PRO A 74 -37.651 -14.168 -12.075 1.00 31.31 H new ATOM 1252 N GLU A 75 -41.877 -12.637 -12.156 1.00 63.32 N ATOM 1253 CA GLU A 75 -43.193 -12.157 -11.753 1.00 51.21 C ATOM 1254 C GLU A 75 -43.519 -10.829 -12.431 1.00 40.44 C ATOM 1255 O GLU A 75 -44.678 -10.537 -12.727 1.00 23.50 O ATOM 1256 CB GLU A 75 -43.260 -11.995 -10.233 1.00 63.22 C ATOM 1257 CG GLU A 75 -42.401 -10.860 -9.704 1.00 25.24 C ATOM 1258 CD GLU A 75 -42.263 -10.887 -8.194 1.00 63.22 C ATOM 1259 OE1 GLU A 75 -43.008 -11.651 -7.544 1.00 52.44 O ATOM 1260 OE2 GLU A 75 -41.411 -10.146 -7.661 1.00 43.14 O ATOM 0 H GLU A 75 -41.260 -12.877 -11.380 1.00 63.32 H new ATOM 0 HA GLU A 75 -43.931 -12.896 -12.065 1.00 51.21 H new ATOM 0 HB2 GLU A 75 -44.296 -11.823 -9.940 1.00 63.22 H new ATOM 0 HB3 GLU A 75 -42.946 -12.927 -9.763 1.00 63.22 H new ATOM 0 HG2 GLU A 75 -41.411 -10.917 -10.157 1.00 25.24 H new ATOM 0 HG3 GLU A 75 -42.836 -9.908 -10.008 1.00 25.24 H new ATOM 1267 N LYS A 76 -42.488 -10.027 -12.675 1.00 72.41 N ATOM 1268 CA LYS A 76 -42.661 -8.731 -13.318 1.00 11.41 C ATOM 1269 C LYS A 76 -42.146 -8.761 -14.753 1.00 60.31 C ATOM 1270 O LYS A 76 -41.736 -9.808 -15.253 1.00 20.52 O ATOM 1271 CB LYS A 76 -41.932 -7.643 -12.526 1.00 4.22 C ATOM 1272 CG LYS A 76 -42.506 -7.411 -11.139 1.00 53.34 C ATOM 1273 CD LYS A 76 -42.605 -5.929 -10.817 1.00 24.41 C ATOM 1274 CE LYS A 76 -43.708 -5.256 -11.619 1.00 21.43 C ATOM 1275 NZ LYS A 76 -43.515 -3.782 -11.698 1.00 13.40 N ATOM 0 H LYS A 76 -41.522 -10.253 -12.436 1.00 72.41 H new ATOM 0 HA LYS A 76 -43.727 -8.504 -13.338 1.00 11.41 H new ATOM 0 HB2 LYS A 76 -40.881 -7.916 -12.434 1.00 4.22 H new ATOM 0 HB3 LYS A 76 -41.971 -6.709 -13.087 1.00 4.22 H new ATOM 0 HG2 LYS A 76 -43.495 -7.865 -11.073 1.00 53.34 H new ATOM 0 HG3 LYS A 76 -41.878 -7.904 -10.397 1.00 53.34 H new ATOM 0 HD2 LYS A 76 -42.797 -5.799 -9.752 1.00 24.41 H new ATOM 0 HD3 LYS A 76 -41.652 -5.445 -11.030 1.00 24.41 H new ATOM 0 HE2 LYS A 76 -43.732 -5.674 -12.626 1.00 21.43 H new ATOM 0 HE3 LYS A 76 -44.673 -5.472 -11.161 1.00 21.43 H new ATOM 0 HZ1 LYS A 76 -44.287 -3.360 -12.253 1.00 13.40 H new ATOM 0 HZ2 LYS A 76 -43.518 -3.380 -10.739 1.00 13.40 H new ATOM 0 HZ3 LYS A 76 -42.605 -3.575 -12.158 1.00 13.40 H new ATOM 1289 N ALA A 77 -42.168 -7.607 -15.410 1.00 1.24 N ATOM 1290 CA ALA A 77 -41.699 -7.501 -16.786 1.00 40.03 C ATOM 1291 C ALA A 77 -41.337 -6.062 -17.135 1.00 4.52 C ATOM 1292 O ALA A 77 -41.924 -5.118 -16.604 1.00 22.22 O ATOM 1293 CB ALA A 77 -42.756 -8.028 -17.745 1.00 61.55 C ATOM 0 H ALA A 77 -42.506 -6.731 -15.011 1.00 1.24 H new ATOM 0 HA ALA A 77 -40.799 -8.108 -16.884 1.00 40.03 H new ATOM 0 HB1 ALA A 77 -42.393 -7.943 -18.769 1.00 61.55 H new ATOM 0 HB2 ALA A 77 -42.963 -9.074 -17.519 1.00 61.55 H new ATOM 0 HB3 ALA A 77 -43.670 -7.445 -17.635 1.00 61.55 H new ATOM 1299 N ILE A 78 -40.367 -5.900 -18.028 1.00 54.31 N ATOM 1300 CA ILE A 78 -39.928 -4.575 -18.447 1.00 43.33 C ATOM 1301 C ILE A 78 -39.786 -4.496 -19.964 1.00 0.05 C ATOM 1302 O ILE A 78 -39.431 -5.478 -20.617 1.00 32.55 O ATOM 1303 CB ILE A 78 -38.584 -4.195 -17.796 1.00 55.13 C ATOM 1304 CG1 ILE A 78 -38.699 -4.248 -16.272 1.00 20.01 C ATOM 1305 CG2 ILE A 78 -38.148 -2.812 -18.252 1.00 42.31 C ATOM 1306 CD1 ILE A 78 -37.367 -4.407 -15.571 1.00 13.44 C ATOM 0 H ILE A 78 -39.870 -6.670 -18.475 1.00 54.31 H new ATOM 0 HA ILE A 78 -40.693 -3.871 -18.119 1.00 43.33 H new ATOM 0 HB ILE A 78 -37.828 -4.915 -18.110 1.00 55.13 H new ATOM 0 HG12 ILE A 78 -39.179 -3.335 -15.920 1.00 20.01 H new ATOM 0 HG13 ILE A 78 -39.349 -5.078 -15.993 1.00 20.01 H new ATOM 0 HG21 ILE A 78 -37.197 -2.557 -17.784 1.00 42.31 H new ATOM 0 HG22 ILE A 78 -38.032 -2.806 -19.336 1.00 42.31 H new ATOM 0 HG23 ILE A 78 -38.902 -2.079 -17.964 1.00 42.31 H new ATOM 0 HD11 ILE A 78 -37.525 -4.437 -14.493 1.00 13.44 H new ATOM 0 HD12 ILE A 78 -36.894 -5.334 -15.895 1.00 13.44 H new ATOM 0 HD13 ILE A 78 -36.722 -3.564 -15.820 1.00 13.44 H new ATOM 1318 N PHE A 79 -40.063 -3.321 -20.518 1.00 42.42 N ATOM 1319 CA PHE A 79 -39.965 -3.113 -21.959 1.00 35.43 C ATOM 1320 C PHE A 79 -39.383 -1.738 -22.271 1.00 51.50 C ATOM 1321 O PHE A 79 -39.652 -0.764 -21.567 1.00 23.44 O ATOM 1322 CB PHE A 79 -41.342 -3.257 -22.611 1.00 31.24 C ATOM 1323 CG PHE A 79 -42.453 -2.641 -21.808 1.00 72.40 C ATOM 1324 CD1 PHE A 79 -43.070 -3.355 -20.793 1.00 23.51 C ATOM 1325 CD2 PHE A 79 -42.879 -1.350 -22.068 1.00 2.31 C ATOM 1326 CE1 PHE A 79 -44.093 -2.792 -20.054 1.00 45.43 C ATOM 1327 CE2 PHE A 79 -43.901 -0.780 -21.332 1.00 34.11 C ATOM 1328 CZ PHE A 79 -44.508 -1.502 -20.323 1.00 64.33 C ATOM 0 H PHE A 79 -40.357 -2.498 -19.992 1.00 42.42 H new ATOM 0 HA PHE A 79 -39.297 -3.872 -22.366 1.00 35.43 H new ATOM 0 HB2 PHE A 79 -41.318 -2.795 -23.598 1.00 31.24 H new ATOM 0 HB3 PHE A 79 -41.556 -4.315 -22.760 1.00 31.24 H new ATOM 0 HD1 PHE A 79 -42.748 -4.363 -20.577 1.00 23.51 H new ATOM 0 HD2 PHE A 79 -42.407 -0.781 -22.855 1.00 2.31 H new ATOM 0 HE1 PHE A 79 -44.567 -3.360 -19.267 1.00 45.43 H new ATOM 0 HE2 PHE A 79 -44.224 0.228 -21.546 1.00 34.11 H new ATOM 0 HZ PHE A 79 -45.306 -1.059 -19.745 1.00 64.33 H new ATOM 1338 N ILE A 80 -38.585 -1.667 -23.331 1.00 1.32 N ATOM 1339 CA ILE A 80 -37.965 -0.412 -23.737 1.00 35.13 C ATOM 1340 C ILE A 80 -38.744 0.243 -24.872 1.00 13.20 C ATOM 1341 O ILE A 80 -39.129 -0.417 -25.837 1.00 33.12 O ATOM 1342 CB ILE A 80 -36.507 -0.624 -24.185 1.00 41.31 C ATOM 1343 CG1 ILE A 80 -36.458 -1.493 -25.444 1.00 0.44 C ATOM 1344 CG2 ILE A 80 -35.695 -1.257 -23.065 1.00 12.21 C ATOM 1345 CD1 ILE A 80 -36.088 -0.725 -26.694 1.00 22.33 C ATOM 0 H ILE A 80 -38.353 -2.464 -23.924 1.00 1.32 H new ATOM 0 HA ILE A 80 -37.977 0.243 -22.866 1.00 35.13 H new ATOM 0 HB ILE A 80 -36.070 0.347 -24.420 1.00 41.31 H new ATOM 0 HG12 ILE A 80 -35.736 -2.296 -25.294 1.00 0.44 H new ATOM 0 HG13 ILE A 80 -37.431 -1.962 -25.590 1.00 0.44 H new ATOM 0 HG21 ILE A 80 -34.667 -1.400 -23.397 1.00 12.21 H new ATOM 0 HG22 ILE A 80 -35.707 -0.603 -22.193 1.00 12.21 H new ATOM 0 HG23 ILE A 80 -36.129 -2.222 -22.801 1.00 12.21 H new ATOM 0 HD11 ILE A 80 -36.073 -1.404 -27.547 1.00 22.33 H new ATOM 0 HD12 ILE A 80 -36.823 0.061 -26.869 1.00 22.33 H new ATOM 0 HD13 ILE A 80 -35.102 -0.278 -26.568 1.00 22.33 H new ATOM 1357 N PHE A 81 -38.971 1.547 -24.751 1.00 24.01 N ATOM 1358 CA PHE A 81 -39.703 2.293 -25.768 1.00 0.23 C ATOM 1359 C PHE A 81 -38.909 3.514 -26.224 1.00 35.22 C ATOM 1360 O PHE A 81 -37.900 3.874 -25.619 1.00 22.14 O ATOM 1361 CB PHE A 81 -41.067 2.729 -25.227 1.00 3.50 C ATOM 1362 CG PHE A 81 -40.980 3.793 -24.170 1.00 21.44 C ATOM 1363 CD1 PHE A 81 -40.899 5.131 -24.518 1.00 11.31 C ATOM 1364 CD2 PHE A 81 -40.979 3.453 -22.826 1.00 10.34 C ATOM 1365 CE1 PHE A 81 -40.817 6.111 -23.547 1.00 74.20 C ATOM 1366 CE2 PHE A 81 -40.898 4.429 -21.850 1.00 73.13 C ATOM 1367 CZ PHE A 81 -40.819 5.759 -22.211 1.00 42.32 C ATOM 0 H PHE A 81 -38.659 2.109 -23.959 1.00 24.01 H new ATOM 0 HA PHE A 81 -39.853 1.638 -26.627 1.00 0.23 H new ATOM 0 HB2 PHE A 81 -41.676 3.097 -26.053 1.00 3.50 H new ATOM 0 HB3 PHE A 81 -41.580 1.860 -24.815 1.00 3.50 H new ATOM 0 HD1 PHE A 81 -40.900 5.412 -25.561 1.00 11.31 H new ATOM 0 HD2 PHE A 81 -41.042 2.414 -22.538 1.00 10.34 H new ATOM 0 HE1 PHE A 81 -40.751 7.151 -23.832 1.00 74.20 H new ATOM 0 HE2 PHE A 81 -40.897 4.151 -20.806 1.00 73.13 H new ATOM 0 HZ PHE A 81 -40.759 6.523 -21.450 1.00 42.32 H new ATOM 1377 N VAL A 82 -39.374 4.147 -27.296 1.00 53.30 N ATOM 1378 CA VAL A 82 -38.709 5.328 -27.835 1.00 3.44 C ATOM 1379 C VAL A 82 -39.720 6.316 -28.405 1.00 43.12 C ATOM 1380 O VAL A 82 -40.804 5.929 -28.839 1.00 10.33 O ATOM 1381 CB VAL A 82 -37.698 4.951 -28.934 1.00 14.13 C ATOM 1382 CG1 VAL A 82 -38.421 4.432 -30.168 1.00 21.02 C ATOM 1383 CG2 VAL A 82 -36.821 6.144 -29.282 1.00 61.21 C ATOM 0 H VAL A 82 -40.209 3.862 -27.809 1.00 53.30 H new ATOM 0 HA VAL A 82 -38.176 5.796 -27.008 1.00 3.44 H new ATOM 0 HB VAL A 82 -37.056 4.155 -28.557 1.00 14.13 H new ATOM 0 HG11 VAL A 82 -37.691 4.170 -30.934 1.00 21.02 H new ATOM 0 HG12 VAL A 82 -39.003 3.549 -29.904 1.00 21.02 H new ATOM 0 HG13 VAL A 82 -39.088 5.205 -30.551 1.00 21.02 H new ATOM 0 HG21 VAL A 82 -36.112 5.860 -30.060 1.00 61.21 H new ATOM 0 HG22 VAL A 82 -37.445 6.962 -29.641 1.00 61.21 H new ATOM 0 HG23 VAL A 82 -36.276 6.466 -28.395 1.00 61.21 H new ATOM 1393 N ASN A 83 -39.356 7.595 -28.404 1.00 72.32 N ATOM 1394 CA ASN A 83 -40.232 8.639 -28.922 1.00 31.32 C ATOM 1395 C ASN A 83 -41.624 8.537 -28.305 1.00 0.42 C ATOM 1396 O ASN A 83 -42.623 8.862 -28.947 1.00 15.24 O ATOM 1397 CB ASN A 83 -40.330 8.542 -30.446 1.00 62.12 C ATOM 1398 CG ASN A 83 -38.972 8.618 -31.118 1.00 53.32 C ATOM 1399 OD1 ASN A 83 -38.101 9.380 -30.698 1.00 12.11 O ATOM 1400 ND2 ASN A 83 -38.787 7.827 -32.168 1.00 4.02 N ATOM 0 H ASN A 83 -38.461 7.933 -28.050 1.00 72.32 H new ATOM 0 HA ASN A 83 -39.804 9.604 -28.652 1.00 31.32 H new ATOM 0 HB2 ASN A 83 -40.815 7.604 -30.717 1.00 62.12 H new ATOM 0 HB3 ASN A 83 -40.963 9.348 -30.819 1.00 62.12 H new ATOM 0 HD21 ASN A 83 -37.894 7.835 -32.662 1.00 4.02 H new ATOM 0 HD22 ASN A 83 -39.537 7.211 -32.481 1.00 4.02 H new ATOM 1407 N ASP A 84 -41.680 8.087 -27.057 1.00 0.21 N ATOM 1408 CA ASP A 84 -42.948 7.945 -26.352 1.00 13.13 C ATOM 1409 C ASP A 84 -43.835 6.907 -27.032 1.00 70.32 C ATOM 1410 O ASP A 84 -45.061 7.025 -27.033 1.00 21.14 O ATOM 1411 CB ASP A 84 -43.673 9.290 -26.287 1.00 34.44 C ATOM 1412 CG ASP A 84 -44.666 9.358 -25.142 1.00 21.23 C ATOM 1413 OD1 ASP A 84 -44.251 9.147 -23.983 1.00 21.01 O ATOM 1414 OD2 ASP A 84 -45.857 9.622 -25.405 1.00 2.52 O ATOM 0 H ASP A 84 -40.862 7.814 -26.512 1.00 0.21 H new ATOM 0 HA ASP A 84 -42.736 7.606 -25.338 1.00 13.13 H new ATOM 0 HB2 ASP A 84 -42.940 10.089 -26.177 1.00 34.44 H new ATOM 0 HB3 ASP A 84 -44.195 9.464 -27.228 1.00 34.44 H new ATOM 1419 N THR A 85 -43.208 5.889 -27.614 1.00 4.34 N ATOM 1420 CA THR A 85 -43.939 4.831 -28.300 1.00 4.41 C ATOM 1421 C THR A 85 -43.148 3.528 -28.300 1.00 14.02 C ATOM 1422 O THR A 85 -41.918 3.536 -28.259 1.00 22.42 O ATOM 1423 CB THR A 85 -44.260 5.224 -29.754 1.00 20.03 C ATOM 1424 OG1 THR A 85 -45.079 4.220 -30.362 1.00 61.25 O ATOM 1425 CG2 THR A 85 -42.984 5.402 -30.562 1.00 42.10 C ATOM 0 H THR A 85 -42.194 5.775 -27.624 1.00 4.34 H new ATOM 0 HA THR A 85 -44.872 4.686 -27.756 1.00 4.41 H new ATOM 0 HB THR A 85 -44.797 6.173 -29.740 1.00 20.03 H new ATOM 0 HG1 THR A 85 -45.281 4.478 -31.286 1.00 61.25 H new ATOM 0 HG21 THR A 85 -43.237 5.679 -31.585 1.00 42.10 H new ATOM 0 HG22 THR A 85 -42.376 6.187 -30.113 1.00 42.10 H new ATOM 0 HG23 THR A 85 -42.423 4.467 -30.568 1.00 42.10 H new ATOM 1433 N LEU A 86 -43.862 2.409 -28.347 1.00 54.35 N ATOM 1434 CA LEU A 86 -43.228 1.095 -28.354 1.00 1.51 C ATOM 1435 C LEU A 86 -43.284 0.470 -29.744 1.00 33.44 C ATOM 1436 O LEU A 86 -44.354 0.159 -30.268 1.00 40.21 O ATOM 1437 CB LEU A 86 -43.907 0.174 -27.339 1.00 42.42 C ATOM 1438 CG LEU A 86 -43.053 -0.974 -26.798 1.00 4.51 C ATOM 1439 CD1 LEU A 86 -42.010 -0.450 -25.824 1.00 21.10 C ATOM 1440 CD2 LEU A 86 -43.930 -2.022 -26.131 1.00 72.25 C ATOM 0 H LEU A 86 -44.881 2.385 -28.381 1.00 54.35 H new ATOM 0 HA LEU A 86 -42.182 1.222 -28.076 1.00 1.51 H new ATOM 0 HB2 LEU A 86 -44.242 0.779 -26.497 1.00 42.42 H new ATOM 0 HB3 LEU A 86 -44.798 -0.250 -27.802 1.00 42.42 H new ATOM 0 HG LEU A 86 -42.535 -1.442 -27.635 1.00 4.51 H new ATOM 0 HD11 LEU A 86 -41.412 -1.281 -25.450 1.00 21.10 H new ATOM 0 HD12 LEU A 86 -41.362 0.263 -26.334 1.00 21.10 H new ATOM 0 HD13 LEU A 86 -42.507 0.044 -24.989 1.00 21.10 H new ATOM 0 HD21 LEU A 86 -43.306 -2.831 -25.752 1.00 72.25 H new ATOM 0 HD22 LEU A 86 -44.476 -1.567 -25.304 1.00 72.25 H new ATOM 0 HD23 LEU A 86 -44.638 -2.420 -26.858 1.00 72.25 H new ATOM 1452 N PRO A 87 -42.107 0.279 -30.356 1.00 30.41 N ATOM 1453 CA PRO A 87 -41.996 -0.314 -31.691 1.00 42.44 C ATOM 1454 C PRO A 87 -42.351 -1.797 -31.699 1.00 54.42 C ATOM 1455 O PRO A 87 -42.439 -2.445 -30.657 1.00 12.35 O ATOM 1456 CB PRO A 87 -40.520 -0.117 -32.045 1.00 64.05 C ATOM 1457 CG PRO A 87 -39.823 -0.034 -30.732 1.00 3.35 C ATOM 1458 CD PRO A 87 -40.792 0.626 -29.790 1.00 31.41 C ATOM 0 HA PRO A 87 -42.684 0.147 -32.399 1.00 42.44 H new ATOM 0 HB2 PRO A 87 -40.142 -0.947 -32.642 1.00 64.05 H new ATOM 0 HB3 PRO A 87 -40.371 0.790 -32.630 1.00 64.05 H new ATOM 0 HG2 PRO A 87 -39.545 -1.025 -30.374 1.00 3.35 H new ATOM 0 HG3 PRO A 87 -38.903 0.545 -30.814 1.00 3.35 H new ATOM 0 HD2 PRO A 87 -40.681 0.252 -28.772 1.00 31.41 H new ATOM 0 HD3 PRO A 87 -40.643 1.705 -29.751 1.00 31.41 H new ATOM 1466 N PRO A 88 -42.562 -2.350 -32.904 1.00 42.40 N ATOM 1467 CA PRO A 88 -42.911 -3.763 -33.076 1.00 42.24 C ATOM 1468 C PRO A 88 -41.748 -4.691 -32.745 1.00 30.14 C ATOM 1469 O PRO A 88 -40.583 -4.327 -32.907 1.00 74.41 O ATOM 1470 CB PRO A 88 -43.267 -3.861 -34.561 1.00 73.04 C ATOM 1471 CG PRO A 88 -42.521 -2.744 -35.205 1.00 63.43 C ATOM 1472 CD PRO A 88 -42.475 -1.636 -34.189 1.00 73.41 C ATOM 0 HA PRO A 88 -43.717 -4.069 -32.409 1.00 42.24 H new ATOM 0 HB2 PRO A 88 -42.972 -4.825 -34.976 1.00 73.04 H new ATOM 0 HB3 PRO A 88 -44.341 -3.762 -34.718 1.00 73.04 H new ATOM 0 HG2 PRO A 88 -41.516 -3.057 -35.486 1.00 63.43 H new ATOM 0 HG3 PRO A 88 -43.020 -2.416 -36.117 1.00 63.43 H new ATOM 0 HD2 PRO A 88 -41.554 -1.058 -34.266 1.00 73.41 H new ATOM 0 HD3 PRO A 88 -43.302 -0.938 -34.318 1.00 73.41 H new ATOM 1480 N THR A 89 -42.071 -5.894 -32.278 1.00 12.20 N ATOM 1481 CA THR A 89 -41.054 -6.875 -31.923 1.00 12.43 C ATOM 1482 C THR A 89 -40.324 -7.382 -33.160 1.00 70.25 C ATOM 1483 O THR A 89 -39.296 -8.052 -33.056 1.00 13.34 O ATOM 1484 CB THR A 89 -41.666 -8.073 -31.174 1.00 74.30 C ATOM 1485 OG1 THR A 89 -42.991 -8.327 -31.656 1.00 31.22 O ATOM 1486 CG2 THR A 89 -41.707 -7.813 -29.676 1.00 42.33 C ATOM 0 H THR A 89 -43.030 -6.211 -32.137 1.00 12.20 H new ATOM 0 HA THR A 89 -40.344 -6.371 -31.267 1.00 12.43 H new ATOM 0 HB THR A 89 -41.039 -8.946 -31.357 1.00 74.30 H new ATOM 0 HG1 THR A 89 -43.373 -9.091 -31.176 1.00 31.22 H new ATOM 0 HG21 THR A 89 -42.143 -8.674 -29.169 1.00 42.33 H new ATOM 0 HG22 THR A 89 -40.694 -7.650 -29.307 1.00 42.33 H new ATOM 0 HG23 THR A 89 -42.313 -6.929 -29.477 1.00 42.33 H new ATOM 1494 N ALA A 90 -40.861 -7.059 -34.333 1.00 34.41 N ATOM 1495 CA ALA A 90 -40.258 -7.481 -35.592 1.00 33.35 C ATOM 1496 C ALA A 90 -39.279 -6.433 -36.109 1.00 60.04 C ATOM 1497 O ALA A 90 -38.561 -6.668 -37.080 1.00 65.25 O ATOM 1498 CB ALA A 90 -41.338 -7.756 -36.627 1.00 43.23 C ATOM 0 H ALA A 90 -41.712 -6.507 -34.437 1.00 34.41 H new ATOM 0 HA ALA A 90 -39.702 -8.401 -35.411 1.00 33.35 H new ATOM 0 HB1 ALA A 90 -40.874 -8.070 -37.562 1.00 43.23 H new ATOM 0 HB2 ALA A 90 -41.996 -8.546 -36.265 1.00 43.23 H new ATOM 0 HB3 ALA A 90 -41.919 -6.849 -36.797 1.00 43.23 H new ATOM 1504 N ALA A 91 -39.256 -5.277 -35.455 1.00 54.42 N ATOM 1505 CA ALA A 91 -38.365 -4.194 -35.849 1.00 12.21 C ATOM 1506 C ALA A 91 -36.975 -4.380 -35.249 1.00 75.03 C ATOM 1507 O ALA A 91 -36.832 -4.587 -34.043 1.00 43.23 O ATOM 1508 CB ALA A 91 -38.947 -2.851 -35.430 1.00 31.30 C ATOM 0 H ALA A 91 -39.845 -5.066 -34.649 1.00 54.42 H new ATOM 0 HA ALA A 91 -38.269 -4.213 -36.935 1.00 12.21 H new ATOM 0 HB1 ALA A 91 -38.270 -2.051 -35.731 1.00 31.30 H new ATOM 0 HB2 ALA A 91 -39.915 -2.708 -35.911 1.00 31.30 H new ATOM 0 HB3 ALA A 91 -39.073 -2.831 -34.348 1.00 31.30 H new ATOM 1514 N LEU A 92 -35.955 -4.309 -36.097 1.00 41.13 N ATOM 1515 CA LEU A 92 -34.576 -4.471 -35.650 1.00 30.12 C ATOM 1516 C LEU A 92 -33.980 -3.132 -35.227 1.00 73.34 C ATOM 1517 O LEU A 92 -34.337 -2.085 -35.766 1.00 14.14 O ATOM 1518 CB LEU A 92 -33.729 -5.091 -36.762 1.00 62.12 C ATOM 1519 CG LEU A 92 -32.722 -6.155 -36.325 1.00 21.24 C ATOM 1520 CD1 LEU A 92 -32.774 -7.354 -37.258 1.00 22.50 C ATOM 1521 CD2 LEU A 92 -31.317 -5.574 -36.280 1.00 3.42 C ATOM 0 H LEU A 92 -36.057 -4.140 -37.098 1.00 41.13 H new ATOM 0 HA LEU A 92 -34.575 -5.137 -34.787 1.00 30.12 H new ATOM 0 HB2 LEU A 92 -34.400 -5.535 -37.498 1.00 62.12 H new ATOM 0 HB3 LEU A 92 -33.187 -4.292 -37.267 1.00 62.12 H new ATOM 0 HG LEU A 92 -32.988 -6.488 -35.322 1.00 21.24 H new ATOM 0 HD11 LEU A 92 -32.050 -8.101 -36.931 1.00 22.50 H new ATOM 0 HD12 LEU A 92 -33.775 -7.786 -37.240 1.00 22.50 H new ATOM 0 HD13 LEU A 92 -32.534 -7.036 -38.273 1.00 22.50 H new ATOM 0 HD21 LEU A 92 -30.614 -6.346 -35.967 1.00 3.42 H new ATOM 0 HD22 LEU A 92 -31.041 -5.212 -37.270 1.00 3.42 H new ATOM 0 HD23 LEU A 92 -31.288 -4.747 -35.570 1.00 3.42 H new ATOM 1533 N MET A 93 -33.069 -3.175 -34.261 1.00 4.04 N ATOM 1534 CA MET A 93 -32.420 -1.966 -33.768 1.00 40.32 C ATOM 1535 C MET A 93 -31.713 -1.228 -34.901 1.00 0.42 C ATOM 1536 O MET A 93 -31.894 -0.024 -35.079 1.00 13.43 O ATOM 1537 CB MET A 93 -31.417 -2.311 -32.665 1.00 73.31 C ATOM 1538 CG MET A 93 -31.382 -1.295 -31.535 1.00 54.44 C ATOM 1539 SD MET A 93 -32.918 -1.252 -30.592 1.00 33.23 S ATOM 1540 CE MET A 93 -33.314 0.494 -30.670 1.00 33.30 C ATOM 0 H MET A 93 -32.763 -4.034 -33.804 1.00 4.04 H new ATOM 0 HA MET A 93 -33.190 -1.313 -33.357 1.00 40.32 H new ATOM 0 HB2 MET A 93 -31.664 -3.290 -32.255 1.00 73.31 H new ATOM 0 HB3 MET A 93 -30.422 -2.390 -33.102 1.00 73.31 H new ATOM 0 HG2 MET A 93 -30.555 -1.531 -30.865 1.00 54.44 H new ATOM 0 HG3 MET A 93 -31.186 -0.305 -31.947 1.00 54.44 H new ATOM 0 HE1 MET A 93 -34.049 0.735 -29.902 1.00 33.30 H new ATOM 0 HE2 MET A 93 -32.410 1.080 -30.504 1.00 33.30 H new ATOM 0 HE3 MET A 93 -33.724 0.730 -31.652 1.00 33.30 H new ATOM 1550 N SER A 94 -30.905 -1.958 -35.664 1.00 34.35 N ATOM 1551 CA SER A 94 -30.168 -1.372 -36.777 1.00 14.53 C ATOM 1552 C SER A 94 -31.105 -0.605 -37.705 1.00 4.44 C ATOM 1553 O SER A 94 -30.689 0.329 -38.391 1.00 33.24 O ATOM 1554 CB SER A 94 -29.435 -2.462 -37.561 1.00 2.32 C ATOM 1555 OG SER A 94 -29.218 -2.065 -38.904 1.00 11.44 O ATOM 0 H SER A 94 -30.744 -2.957 -35.531 1.00 34.35 H new ATOM 0 HA SER A 94 -29.437 -0.674 -36.369 1.00 14.53 H new ATOM 0 HB2 SER A 94 -28.479 -2.678 -37.083 1.00 2.32 H new ATOM 0 HB3 SER A 94 -30.017 -3.383 -37.540 1.00 2.32 H new ATOM 0 HG SER A 94 -28.747 -2.778 -39.384 1.00 11.44 H new ATOM 1561 N ALA A 95 -32.372 -1.006 -37.720 1.00 1.34 N ATOM 1562 CA ALA A 95 -33.369 -0.356 -38.562 1.00 0.04 C ATOM 1563 C ALA A 95 -33.999 0.834 -37.846 1.00 75.03 C ATOM 1564 O ALA A 95 -34.204 1.892 -38.443 1.00 23.45 O ATOM 1565 CB ALA A 95 -34.440 -1.353 -38.977 1.00 73.15 C ATOM 0 H ALA A 95 -32.732 -1.778 -37.159 1.00 1.34 H new ATOM 0 HA ALA A 95 -32.868 0.015 -39.456 1.00 0.04 H new ATOM 0 HB1 ALA A 95 -35.178 -0.854 -39.605 1.00 73.15 H new ATOM 0 HB2 ALA A 95 -33.981 -2.169 -39.535 1.00 73.15 H new ATOM 0 HB3 ALA A 95 -34.930 -1.751 -38.089 1.00 73.15 H new ATOM 1571 N ILE A 96 -34.308 0.653 -36.567 1.00 3.51 N ATOM 1572 CA ILE A 96 -34.915 1.713 -35.771 1.00 71.32 C ATOM 1573 C ILE A 96 -33.931 2.851 -35.528 1.00 41.33 C ATOM 1574 O ILE A 96 -34.220 4.011 -35.826 1.00 40.00 O ATOM 1575 CB ILE A 96 -35.414 1.181 -34.414 1.00 3.31 C ATOM 1576 CG1 ILE A 96 -36.451 0.077 -34.623 1.00 72.13 C ATOM 1577 CG2 ILE A 96 -35.999 2.315 -33.584 1.00 45.53 C ATOM 1578 CD1 ILE A 96 -37.771 0.583 -35.161 1.00 71.32 C ATOM 0 H ILE A 96 -34.148 -0.217 -36.059 1.00 3.51 H new ATOM 0 HA ILE A 96 -35.765 2.088 -36.340 1.00 71.32 H new ATOM 0 HB ILE A 96 -34.567 0.759 -33.873 1.00 3.31 H new ATOM 0 HG12 ILE A 96 -36.047 -0.664 -35.312 1.00 72.13 H new ATOM 0 HG13 ILE A 96 -36.625 -0.431 -33.675 1.00 72.13 H new ATOM 0 HG21 ILE A 96 -36.347 1.924 -32.628 1.00 45.53 H new ATOM 0 HG22 ILE A 96 -35.233 3.071 -33.410 1.00 45.53 H new ATOM 0 HG23 ILE A 96 -36.836 2.763 -34.119 1.00 45.53 H new ATOM 0 HD11 ILE A 96 -38.458 -0.254 -35.285 1.00 71.32 H new ATOM 0 HD12 ILE A 96 -38.197 1.302 -34.462 1.00 71.32 H new ATOM 0 HD13 ILE A 96 -37.610 1.066 -36.125 1.00 71.32 H new ATOM 1590 N TYR A 97 -32.766 2.513 -34.988 1.00 4.15 N ATOM 1591 CA TYR A 97 -31.737 3.507 -34.703 1.00 53.33 C ATOM 1592 C TYR A 97 -31.411 4.325 -35.950 1.00 24.32 C ATOM 1593 O TYR A 97 -31.080 5.506 -35.860 1.00 42.23 O ATOM 1594 CB TYR A 97 -30.471 2.828 -34.180 1.00 73.14 C ATOM 1595 CG TYR A 97 -29.193 3.452 -34.692 1.00 23.12 C ATOM 1596 CD1 TYR A 97 -28.798 4.717 -34.271 1.00 71.44 C ATOM 1597 CD2 TYR A 97 -28.381 2.779 -35.595 1.00 64.13 C ATOM 1598 CE1 TYR A 97 -27.630 5.291 -34.736 1.00 14.52 C ATOM 1599 CE2 TYR A 97 -27.211 3.346 -36.065 1.00 3.23 C ATOM 1600 CZ TYR A 97 -26.840 4.602 -35.632 1.00 55.13 C ATOM 1601 OH TYR A 97 -25.678 5.171 -36.098 1.00 41.12 O ATOM 0 H TYR A 97 -32.510 1.558 -34.738 1.00 4.15 H new ATOM 0 HA TYR A 97 -32.121 4.181 -33.937 1.00 53.33 H new ATOM 0 HB2 TYR A 97 -30.472 2.865 -33.091 1.00 73.14 H new ATOM 0 HB3 TYR A 97 -30.490 1.776 -34.463 1.00 73.14 H new ATOM 0 HD1 TYR A 97 -29.414 5.260 -33.569 1.00 71.44 H new ATOM 0 HD2 TYR A 97 -28.668 1.795 -35.936 1.00 64.13 H new ATOM 0 HE1 TYR A 97 -27.337 6.275 -34.399 1.00 14.52 H new ATOM 0 HE2 TYR A 97 -26.591 2.809 -36.767 1.00 3.23 H new ATOM 0 HH TYR A 97 -25.239 4.555 -36.720 1.00 41.12 H new ATOM 1611 N GLN A 98 -31.508 3.685 -37.111 1.00 33.21 N ATOM 1612 CA GLN A 98 -31.224 4.352 -38.376 1.00 1.33 C ATOM 1613 C GLN A 98 -31.912 5.712 -38.443 1.00 32.44 C ATOM 1614 O GLN A 98 -31.278 6.724 -38.735 1.00 42.51 O ATOM 1615 CB GLN A 98 -31.676 3.481 -39.549 1.00 35.20 C ATOM 1616 CG GLN A 98 -30.852 3.683 -40.811 1.00 73.42 C ATOM 1617 CD GLN A 98 -31.622 3.341 -42.072 1.00 22.24 C ATOM 1618 OE1 GLN A 98 -31.388 2.303 -42.692 1.00 52.51 O ATOM 1619 NE2 GLN A 98 -32.545 4.213 -42.456 1.00 50.42 N ATOM 0 H GLN A 98 -31.781 2.706 -37.202 1.00 33.21 H new ATOM 0 HA GLN A 98 -30.147 4.507 -38.441 1.00 1.33 H new ATOM 0 HB2 GLN A 98 -31.622 2.433 -39.254 1.00 35.20 H new ATOM 0 HB3 GLN A 98 -32.721 3.697 -39.769 1.00 35.20 H new ATOM 0 HG2 GLN A 98 -30.521 4.720 -40.862 1.00 73.42 H new ATOM 0 HG3 GLN A 98 -29.956 3.065 -40.758 1.00 73.42 H new ATOM 0 HE21 GLN A 98 -32.704 5.060 -41.911 1.00 50.42 H new ATOM 0 HE22 GLN A 98 -33.095 4.036 -43.296 1.00 50.42 H new ATOM 1628 N GLU A 99 -33.213 5.724 -38.168 1.00 13.03 N ATOM 1629 CA GLU A 99 -33.986 6.960 -38.197 1.00 55.11 C ATOM 1630 C GLU A 99 -34.192 7.507 -36.788 1.00 53.53 C ATOM 1631 O GLU A 99 -34.597 8.656 -36.609 1.00 51.13 O ATOM 1632 CB GLU A 99 -35.342 6.723 -38.867 1.00 13.43 C ATOM 1633 CG GLU A 99 -36.143 7.995 -39.085 1.00 53.22 C ATOM 1634 CD GLU A 99 -35.370 9.047 -39.856 1.00 41.13 C ATOM 1635 OE1 GLU A 99 -35.210 8.887 -41.085 1.00 35.45 O ATOM 1636 OE2 GLU A 99 -34.923 10.031 -39.230 1.00 61.31 O ATOM 0 H GLU A 99 -33.752 4.894 -37.923 1.00 13.03 H new ATOM 0 HA GLU A 99 -33.426 7.695 -38.775 1.00 55.11 H new ATOM 0 HB2 GLU A 99 -35.182 6.235 -39.828 1.00 13.43 H new ATOM 0 HB3 GLU A 99 -35.926 6.036 -38.254 1.00 13.43 H new ATOM 0 HG2 GLU A 99 -37.059 7.755 -39.624 1.00 53.22 H new ATOM 0 HG3 GLU A 99 -36.440 8.403 -38.119 1.00 53.22 H new ATOM 1643 N HIS A 100 -33.910 6.676 -35.790 1.00 13.53 N ATOM 1644 CA HIS A 100 -34.064 7.075 -34.396 1.00 4.33 C ATOM 1645 C HIS A 100 -32.750 7.618 -33.838 1.00 73.21 C ATOM 1646 O HIS A 100 -32.571 7.711 -32.624 1.00 4.44 O ATOM 1647 CB HIS A 100 -34.539 5.892 -33.553 1.00 22.52 C ATOM 1648 CG HIS A 100 -35.973 5.531 -33.783 1.00 75.44 C ATOM 1649 ND1 HIS A 100 -36.890 5.398 -32.761 1.00 4.12 N ATOM 1650 CD2 HIS A 100 -36.649 5.275 -34.927 1.00 53.51 C ATOM 1651 CE1 HIS A 100 -38.067 5.075 -33.267 1.00 21.04 C ATOM 1652 NE2 HIS A 100 -37.948 4.994 -34.580 1.00 3.15 N ATOM 0 H HIS A 100 -33.574 5.722 -35.921 1.00 13.53 H new ATOM 0 HA HIS A 100 -34.813 7.866 -34.351 1.00 4.33 H new ATOM 0 HB2 HIS A 100 -33.915 5.026 -33.773 1.00 22.52 H new ATOM 0 HB3 HIS A 100 -34.397 6.128 -32.498 1.00 22.52 H new ATOM 0 HD2 HIS A 100 -36.242 5.289 -35.927 1.00 53.51 H new ATOM 0 HE1 HIS A 100 -38.972 4.906 -32.703 1.00 21.04 H new ATOM 0 HE2 HIS A 100 -38.698 4.761 -35.230 1.00 3.15 H new ATOM 1660 N LYS A 101 -31.834 7.973 -34.733 1.00 54.02 N ATOM 1661 CA LYS A 101 -30.538 8.505 -34.333 1.00 14.03 C ATOM 1662 C LYS A 101 -30.580 10.027 -34.240 1.00 54.12 C ATOM 1663 O LYS A 101 -31.141 10.696 -35.108 1.00 51.30 O ATOM 1664 CB LYS A 101 -29.457 8.074 -35.326 1.00 15.41 C ATOM 1665 CG LYS A 101 -29.654 8.640 -36.722 1.00 23.23 C ATOM 1666 CD LYS A 101 -28.468 8.332 -37.620 1.00 64.41 C ATOM 1667 CE LYS A 101 -28.822 8.502 -39.090 1.00 40.12 C ATOM 1668 NZ LYS A 101 -27.952 9.511 -39.757 1.00 33.44 N ATOM 0 H LYS A 101 -31.966 7.901 -35.742 1.00 54.02 H new ATOM 0 HA LYS A 101 -30.298 8.104 -33.348 1.00 14.03 H new ATOM 0 HB2 LYS A 101 -28.483 8.388 -34.950 1.00 15.41 H new ATOM 0 HB3 LYS A 101 -29.441 6.986 -35.383 1.00 15.41 H new ATOM 0 HG2 LYS A 101 -30.561 8.224 -37.160 1.00 23.23 H new ATOM 0 HG3 LYS A 101 -29.795 9.719 -36.662 1.00 23.23 H new ATOM 0 HD2 LYS A 101 -27.638 8.991 -37.366 1.00 64.41 H new ATOM 0 HD3 LYS A 101 -28.131 7.311 -37.442 1.00 64.41 H new ATOM 0 HE2 LYS A 101 -28.724 7.544 -39.600 1.00 40.12 H new ATOM 0 HE3 LYS A 101 -29.865 8.806 -39.180 1.00 40.12 H new ATOM 0 HZ1 LYS A 101 -28.225 9.598 -40.757 1.00 33.44 H new ATOM 0 HZ2 LYS A 101 -28.064 10.432 -39.286 1.00 33.44 H new ATOM 0 HZ3 LYS A 101 -26.959 9.209 -39.694 1.00 33.44 H new ATOM 1682 N ASP A 102 -29.983 10.568 -33.184 1.00 14.41 N ATOM 1683 CA ASP A 102 -29.951 12.012 -32.980 1.00 31.14 C ATOM 1684 C ASP A 102 -29.288 12.713 -34.161 1.00 40.20 C ATOM 1685 O ASP A 102 -28.603 12.082 -34.966 1.00 42.41 O ATOM 1686 CB ASP A 102 -29.206 12.349 -31.687 1.00 73.21 C ATOM 1687 CG ASP A 102 -29.495 13.756 -31.202 1.00 62.23 C ATOM 1688 OD1 ASP A 102 -30.586 14.279 -31.512 1.00 74.21 O ATOM 1689 OD2 ASP A 102 -28.628 14.335 -30.514 1.00 15.14 O ATOM 0 H ASP A 102 -29.515 10.029 -32.456 1.00 14.41 H new ATOM 0 HA ASP A 102 -30.979 12.366 -32.901 1.00 31.14 H new ATOM 0 HB2 ASP A 102 -29.488 11.636 -30.912 1.00 73.21 H new ATOM 0 HB3 ASP A 102 -28.134 12.237 -31.849 1.00 73.21 H new ATOM 1694 N LYS A 103 -29.496 14.022 -34.259 1.00 31.43 N ATOM 1695 CA LYS A 103 -28.920 14.810 -35.341 1.00 24.41 C ATOM 1696 C LYS A 103 -27.410 14.605 -35.419 1.00 24.10 C ATOM 1697 O LYS A 103 -26.803 14.788 -36.474 1.00 4.44 O ATOM 1698 CB LYS A 103 -29.233 16.295 -35.142 1.00 35.41 C ATOM 1699 CG LYS A 103 -29.085 16.760 -33.704 1.00 20.34 C ATOM 1700 CD LYS A 103 -29.197 18.271 -33.593 1.00 3.41 C ATOM 1701 CE LYS A 103 -29.843 18.687 -32.280 1.00 1.20 C ATOM 1702 NZ LYS A 103 -31.290 18.337 -32.239 1.00 51.35 N ATOM 0 H LYS A 103 -30.060 14.559 -33.601 1.00 31.43 H new ATOM 0 HA LYS A 103 -29.365 14.474 -36.278 1.00 24.41 H new ATOM 0 HB2 LYS A 103 -28.571 16.885 -35.776 1.00 35.41 H new ATOM 0 HB3 LYS A 103 -30.252 16.491 -35.475 1.00 35.41 H new ATOM 0 HG2 LYS A 103 -29.852 16.291 -33.088 1.00 20.34 H new ATOM 0 HG3 LYS A 103 -28.120 16.436 -33.313 1.00 20.34 H new ATOM 0 HD2 LYS A 103 -28.205 18.717 -33.669 1.00 3.41 H new ATOM 0 HD3 LYS A 103 -29.784 18.656 -34.427 1.00 3.41 H new ATOM 0 HE2 LYS A 103 -29.328 18.201 -31.452 1.00 1.20 H new ATOM 0 HE3 LYS A 103 -29.725 19.762 -32.142 1.00 1.20 H new ATOM 0 HZ1 LYS A 103 -31.772 18.936 -31.539 1.00 51.35 H new ATOM 0 HZ2 LYS A 103 -31.712 18.493 -33.177 1.00 51.35 H new ATOM 0 HZ3 LYS A 103 -31.398 17.338 -31.972 1.00 51.35 H new ATOM 1716 N ASP A 104 -26.811 14.222 -34.296 1.00 40.13 N ATOM 1717 CA ASP A 104 -25.372 13.989 -34.239 1.00 31.04 C ATOM 1718 C ASP A 104 -25.069 12.511 -34.015 1.00 53.11 C ATOM 1719 O ASP A 104 -24.088 12.160 -33.362 1.00 32.43 O ATOM 1720 CB ASP A 104 -24.744 14.826 -33.122 1.00 42.15 C ATOM 1721 CG ASP A 104 -24.662 16.297 -33.479 1.00 32.11 C ATOM 1722 OD1 ASP A 104 -25.622 16.814 -34.087 1.00 60.14 O ATOM 1723 OD2 ASP A 104 -23.639 16.932 -33.149 1.00 30.54 O ATOM 0 H ASP A 104 -27.299 14.066 -33.414 1.00 40.13 H new ATOM 0 HA ASP A 104 -24.941 14.288 -35.195 1.00 31.04 H new ATOM 0 HB2 ASP A 104 -25.330 14.708 -32.210 1.00 42.15 H new ATOM 0 HB3 ASP A 104 -23.743 14.450 -32.909 1.00 42.15 H new ATOM 1728 N GLY A 105 -25.921 11.647 -34.562 1.00 3.55 N ATOM 1729 CA GLY A 105 -25.729 10.218 -34.410 1.00 24.53 C ATOM 1730 C GLY A 105 -25.791 9.775 -32.961 1.00 72.14 C ATOM 1731 O GLY A 105 -24.802 9.864 -32.234 1.00 63.50 O ATOM 0 H GLY A 105 -26.741 11.913 -35.108 1.00 3.55 H new ATOM 0 HA2 GLY A 105 -26.492 9.689 -34.981 1.00 24.53 H new ATOM 0 HA3 GLY A 105 -24.764 9.937 -34.831 1.00 24.53 H new ATOM 1735 N PHE A 106 -26.957 9.298 -32.541 1.00 32.15 N ATOM 1736 CA PHE A 106 -27.147 8.842 -31.168 1.00 2.23 C ATOM 1737 C PHE A 106 -28.504 8.166 -31.001 1.00 63.13 C ATOM 1738 O PHE A 106 -29.549 8.797 -31.166 1.00 61.43 O ATOM 1739 CB PHE A 106 -27.028 10.018 -30.197 1.00 0.41 C ATOM 1740 CG PHE A 106 -25.692 10.100 -29.515 1.00 3.40 C ATOM 1741 CD1 PHE A 106 -25.183 9.013 -28.824 1.00 73.01 C ATOM 1742 CD2 PHE A 106 -24.944 11.267 -29.566 1.00 34.32 C ATOM 1743 CE1 PHE A 106 -23.954 9.085 -28.196 1.00 44.50 C ATOM 1744 CE2 PHE A 106 -23.715 11.344 -28.941 1.00 25.04 C ATOM 1745 CZ PHE A 106 -23.219 10.254 -28.254 1.00 74.31 C ATOM 0 H PHE A 106 -27.785 9.217 -33.131 1.00 32.15 H new ATOM 0 HA PHE A 106 -26.368 8.113 -30.943 1.00 2.23 H new ATOM 0 HB2 PHE A 106 -27.208 10.946 -30.739 1.00 0.41 H new ATOM 0 HB3 PHE A 106 -27.808 9.935 -29.441 1.00 0.41 H new ATOM 0 HD1 PHE A 106 -25.754 8.097 -28.775 1.00 73.01 H new ATOM 0 HD2 PHE A 106 -25.327 12.124 -30.100 1.00 34.32 H new ATOM 0 HE1 PHE A 106 -23.569 8.230 -27.661 1.00 44.50 H new ATOM 0 HE2 PHE A 106 -23.141 12.258 -28.990 1.00 25.04 H new ATOM 0 HZ PHE A 106 -22.259 10.315 -27.763 1.00 74.31 H new ATOM 1755 N LEU A 107 -28.481 6.878 -30.675 1.00 43.24 N ATOM 1756 CA LEU A 107 -29.709 6.114 -30.487 1.00 12.13 C ATOM 1757 C LEU A 107 -30.278 6.336 -29.089 1.00 55.34 C ATOM 1758 O LEU A 107 -29.746 5.827 -28.103 1.00 33.44 O ATOM 1759 CB LEU A 107 -29.445 4.624 -30.712 1.00 53.01 C ATOM 1760 CG LEU A 107 -30.661 3.703 -30.598 1.00 2.31 C ATOM 1761 CD1 LEU A 107 -30.943 3.370 -29.142 1.00 33.54 C ATOM 1762 CD2 LEU A 107 -31.878 4.344 -31.247 1.00 12.55 C ATOM 0 H LEU A 107 -27.625 6.341 -30.535 1.00 43.24 H new ATOM 0 HA LEU A 107 -30.440 6.461 -31.217 1.00 12.13 H new ATOM 0 HB2 LEU A 107 -29.010 4.498 -31.704 1.00 53.01 H new ATOM 0 HB3 LEU A 107 -28.696 4.295 -29.992 1.00 53.01 H new ATOM 0 HG LEU A 107 -30.441 2.775 -31.125 1.00 2.31 H new ATOM 0 HD11 LEU A 107 -31.811 2.714 -29.080 1.00 33.54 H new ATOM 0 HD12 LEU A 107 -30.078 2.868 -28.709 1.00 33.54 H new ATOM 0 HD13 LEU A 107 -31.143 4.289 -28.591 1.00 33.54 H new ATOM 0 HD21 LEU A 107 -32.734 3.675 -31.156 1.00 12.55 H new ATOM 0 HD22 LEU A 107 -32.101 5.288 -30.749 1.00 12.55 H new ATOM 0 HD23 LEU A 107 -31.673 4.530 -32.301 1.00 12.55 H new ATOM 1774 N TYR A 108 -31.366 7.096 -29.014 1.00 31.41 N ATOM 1775 CA TYR A 108 -32.009 7.385 -27.738 1.00 24.42 C ATOM 1776 C TYR A 108 -33.116 6.378 -27.445 1.00 13.33 C ATOM 1777 O TYR A 108 -34.095 6.282 -28.185 1.00 50.01 O ATOM 1778 CB TYR A 108 -32.581 8.803 -27.741 1.00 21.12 C ATOM 1779 CG TYR A 108 -31.538 9.878 -27.538 1.00 44.51 C ATOM 1780 CD1 TYR A 108 -30.859 9.996 -26.331 1.00 45.42 C ATOM 1781 CD2 TYR A 108 -31.231 10.777 -28.552 1.00 1.32 C ATOM 1782 CE1 TYR A 108 -29.905 10.977 -26.141 1.00 71.12 C ATOM 1783 CE2 TYR A 108 -30.277 11.760 -28.371 1.00 41.15 C ATOM 1784 CZ TYR A 108 -29.617 11.857 -27.164 1.00 35.40 C ATOM 1785 OH TYR A 108 -28.669 12.836 -26.979 1.00 63.40 O ATOM 0 H TYR A 108 -31.820 7.522 -29.822 1.00 31.41 H new ATOM 0 HA TYR A 108 -31.255 7.306 -26.954 1.00 24.42 H new ATOM 0 HB2 TYR A 108 -33.091 8.978 -28.688 1.00 21.12 H new ATOM 0 HB3 TYR A 108 -33.332 8.884 -26.955 1.00 21.12 H new ATOM 0 HD1 TYR A 108 -31.081 9.309 -25.528 1.00 45.42 H new ATOM 0 HD2 TYR A 108 -31.747 10.706 -29.498 1.00 1.32 H new ATOM 0 HE1 TYR A 108 -29.387 11.055 -25.196 1.00 71.12 H new ATOM 0 HE2 TYR A 108 -30.049 12.449 -29.171 1.00 41.15 H new ATOM 0 HH TYR A 108 -28.586 13.370 -27.797 1.00 63.40 H new ATOM 1795 N VAL A 109 -32.954 5.628 -26.359 1.00 12.31 N ATOM 1796 CA VAL A 109 -33.940 4.629 -25.966 1.00 22.43 C ATOM 1797 C VAL A 109 -34.222 4.695 -24.469 1.00 1.02 C ATOM 1798 O VAL A 109 -33.386 5.148 -23.687 1.00 2.42 O ATOM 1799 CB VAL A 109 -33.473 3.207 -26.326 1.00 62.13 C ATOM 1800 CG1 VAL A 109 -33.771 2.901 -27.787 1.00 23.55 C ATOM 1801 CG2 VAL A 109 -31.989 3.043 -26.031 1.00 34.32 C ATOM 0 H VAL A 109 -32.149 5.694 -25.736 1.00 12.31 H new ATOM 0 HA VAL A 109 -34.854 4.853 -26.516 1.00 22.43 H new ATOM 0 HB VAL A 109 -34.024 2.496 -25.710 1.00 62.13 H new ATOM 0 HG11 VAL A 109 -33.434 1.892 -28.023 1.00 23.55 H new ATOM 0 HG12 VAL A 109 -34.844 2.976 -27.963 1.00 23.55 H new ATOM 0 HG13 VAL A 109 -33.249 3.616 -28.422 1.00 23.55 H new ATOM 0 HG21 VAL A 109 -31.676 2.032 -26.291 1.00 34.32 H new ATOM 0 HG22 VAL A 109 -31.419 3.762 -26.620 1.00 34.32 H new ATOM 0 HG23 VAL A 109 -31.807 3.217 -24.970 1.00 34.32 H new ATOM 1811 N THR A 110 -35.407 4.238 -24.074 1.00 62.03 N ATOM 1812 CA THR A 110 -35.800 4.245 -22.671 1.00 73.35 C ATOM 1813 C THR A 110 -36.288 2.870 -22.230 1.00 33.03 C ATOM 1814 O THR A 110 -36.713 2.058 -23.052 1.00 50.01 O ATOM 1815 CB THR A 110 -36.910 5.280 -22.405 1.00 24.04 C ATOM 1816 OG1 THR A 110 -38.186 4.729 -22.747 1.00 10.22 O ATOM 1817 CG2 THR A 110 -36.668 6.551 -23.205 1.00 14.31 C ATOM 0 H THR A 110 -36.111 3.858 -24.707 1.00 62.03 H new ATOM 0 HA THR A 110 -34.915 4.515 -22.096 1.00 73.35 H new ATOM 0 HB THR A 110 -36.896 5.530 -21.344 1.00 24.04 H new ATOM 0 HG1 THR A 110 -38.851 5.006 -22.082 1.00 10.22 H new ATOM 0 HG21 THR A 110 -37.464 7.267 -23.001 1.00 14.31 H new ATOM 0 HG22 THR A 110 -35.709 6.984 -22.919 1.00 14.31 H new ATOM 0 HG23 THR A 110 -36.657 6.315 -24.269 1.00 14.31 H new ATOM 1825 N TYR A 111 -36.224 2.615 -20.928 1.00 70.14 N ATOM 1826 CA TYR A 111 -36.658 1.336 -20.377 1.00 63.02 C ATOM 1827 C TYR A 111 -37.469 1.539 -19.102 1.00 10.21 C ATOM 1828 O TYR A 111 -37.082 2.309 -18.223 1.00 34.33 O ATOM 1829 CB TYR A 111 -35.448 0.445 -20.089 1.00 70.13 C ATOM 1830 CG TYR A 111 -34.729 0.796 -18.807 1.00 44.21 C ATOM 1831 CD1 TYR A 111 -35.114 0.237 -17.595 1.00 71.44 C ATOM 1832 CD2 TYR A 111 -33.663 1.687 -18.807 1.00 60.12 C ATOM 1833 CE1 TYR A 111 -34.460 0.555 -16.421 1.00 0.22 C ATOM 1834 CE2 TYR A 111 -33.002 2.011 -17.638 1.00 42.24 C ATOM 1835 CZ TYR A 111 -33.405 1.443 -16.447 1.00 71.03 C ATOM 1836 OH TYR A 111 -32.750 1.762 -15.280 1.00 44.13 O ATOM 0 H TYR A 111 -35.876 3.277 -20.234 1.00 70.14 H new ATOM 0 HA TYR A 111 -37.294 0.848 -21.116 1.00 63.02 H new ATOM 0 HB2 TYR A 111 -35.776 -0.593 -20.039 1.00 70.13 H new ATOM 0 HB3 TYR A 111 -34.747 0.519 -20.921 1.00 70.13 H new ATOM 0 HD1 TYR A 111 -35.940 -0.459 -17.570 1.00 71.44 H new ATOM 0 HD2 TYR A 111 -33.345 2.134 -19.737 1.00 60.12 H new ATOM 0 HE1 TYR A 111 -34.773 0.111 -15.488 1.00 0.22 H new ATOM 0 HE2 TYR A 111 -32.175 2.705 -17.656 1.00 42.24 H new ATOM 0 HH TYR A 111 -33.181 1.306 -14.528 1.00 44.13 H new ATOM 1846 N SER A 112 -38.597 0.841 -19.009 1.00 11.24 N ATOM 1847 CA SER A 112 -39.466 0.946 -17.843 1.00 0.33 C ATOM 1848 C SER A 112 -40.504 -0.173 -17.836 1.00 24.21 C ATOM 1849 O SER A 112 -40.653 -0.902 -18.815 1.00 45.25 O ATOM 1850 CB SER A 112 -40.167 2.306 -17.822 1.00 64.24 C ATOM 1851 OG SER A 112 -40.986 2.441 -16.675 1.00 13.42 O ATOM 0 H SER A 112 -38.930 0.197 -19.727 1.00 11.24 H new ATOM 0 HA SER A 112 -38.847 0.851 -16.951 1.00 0.33 H new ATOM 0 HB2 SER A 112 -39.423 3.102 -17.837 1.00 64.24 H new ATOM 0 HB3 SER A 112 -40.773 2.420 -18.721 1.00 64.24 H new ATOM 0 HG SER A 112 -40.481 2.172 -15.879 1.00 13.42 H new ATOM 1857 N GLY A 113 -41.218 -0.302 -16.722 1.00 25.34 N ATOM 1858 CA GLY A 113 -42.232 -1.335 -16.606 1.00 42.43 C ATOM 1859 C GLY A 113 -43.611 -0.839 -16.996 1.00 4.34 C ATOM 1860 O GLY A 113 -44.615 -1.482 -16.695 1.00 10.23 O ATOM 0 H GLY A 113 -41.113 0.290 -15.898 1.00 25.34 H new ATOM 0 HA2 GLY A 113 -41.960 -2.180 -17.239 1.00 42.43 H new ATOM 0 HA3 GLY A 113 -42.258 -1.701 -15.580 1.00 42.43 H new ATOM 1864 N GLU A 114 -43.658 0.309 -17.666 1.00 10.24 N ATOM 1865 CA GLU A 114 -44.925 0.891 -18.093 1.00 24.10 C ATOM 1866 C GLU A 114 -44.788 1.537 -19.469 1.00 3.52 C ATOM 1867 O GLU A 114 -43.702 1.959 -19.864 1.00 21.32 O ATOM 1868 CB GLU A 114 -45.404 1.928 -17.075 1.00 74.05 C ATOM 1869 CG GLU A 114 -44.316 2.887 -16.624 1.00 73.14 C ATOM 1870 CD GLU A 114 -44.832 3.945 -15.668 1.00 3.34 C ATOM 1871 OE1 GLU A 114 -45.282 5.008 -16.145 1.00 11.12 O ATOM 1872 OE2 GLU A 114 -44.784 3.709 -14.442 1.00 15.42 O ATOM 0 H GLU A 114 -42.835 0.853 -17.924 1.00 10.24 H new ATOM 0 HA GLU A 114 -45.662 0.090 -18.158 1.00 24.10 H new ATOM 0 HB2 GLU A 114 -46.223 2.500 -17.510 1.00 74.05 H new ATOM 0 HB3 GLU A 114 -45.805 1.411 -16.203 1.00 74.05 H new ATOM 0 HG2 GLU A 114 -43.518 2.324 -16.141 1.00 73.14 H new ATOM 0 HG3 GLU A 114 -43.880 3.373 -17.497 1.00 73.14 H new ATOM 1879 N ASN A 115 -45.900 1.612 -20.194 1.00 1.12 N ATOM 1880 CA ASN A 115 -45.906 2.206 -21.526 1.00 25.01 C ATOM 1881 C ASN A 115 -46.674 3.524 -21.531 1.00 14.24 C ATOM 1882 O ASN A 115 -46.578 4.310 -22.474 1.00 23.54 O ATOM 1883 CB ASN A 115 -46.525 1.238 -22.536 1.00 25.22 C ATOM 1884 CG ASN A 115 -46.743 1.880 -23.893 1.00 1.14 C ATOM 1885 OD1 ASN A 115 -47.866 1.931 -24.394 1.00 23.11 O ATOM 1886 ND2 ASN A 115 -45.666 2.373 -24.494 1.00 23.22 N ATOM 0 H ASN A 115 -46.808 1.269 -19.881 1.00 1.12 H new ATOM 0 HA ASN A 115 -44.873 2.407 -21.811 1.00 25.01 H new ATOM 0 HB2 ASN A 115 -45.876 0.370 -22.648 1.00 25.22 H new ATOM 0 HB3 ASN A 115 -47.478 0.876 -22.151 1.00 25.22 H new ATOM 0 HD21 ASN A 115 -45.750 2.816 -25.409 1.00 23.22 H new ATOM 0 HD22 ASN A 115 -44.755 2.308 -24.041 1.00 23.22 H new ATOM 1893 N THR A 116 -47.439 3.760 -20.469 1.00 51.40 N ATOM 1894 CA THR A 116 -48.225 4.982 -20.350 1.00 61.43 C ATOM 1895 C THR A 116 -47.797 5.795 -19.133 1.00 71.14 C ATOM 1896 O THR A 116 -46.788 5.493 -18.496 1.00 73.41 O ATOM 1897 CB THR A 116 -49.731 4.673 -20.243 1.00 41.44 C ATOM 1898 OG1 THR A 116 -49.965 3.286 -20.506 1.00 35.24 O ATOM 1899 CG2 THR A 116 -50.528 5.522 -21.223 1.00 30.23 C ATOM 0 H THR A 116 -47.531 3.121 -19.679 1.00 51.40 H new ATOM 0 HA THR A 116 -48.044 5.564 -21.254 1.00 61.43 H new ATOM 0 HB THR A 116 -50.058 4.911 -19.231 1.00 41.44 H new ATOM 0 HG1 THR A 116 -50.924 3.097 -20.435 1.00 35.24 H new ATOM 0 HG21 THR A 116 -51.588 5.287 -21.130 1.00 30.23 H new ATOM 0 HG22 THR A 116 -50.370 6.578 -21.002 1.00 30.23 H new ATOM 0 HG23 THR A 116 -50.198 5.310 -22.240 1.00 30.23 H new