USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=18 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 35 CYS SG : rot 131:sc= 0.00889 USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= -0.731 USER MOD Single : A 29 ASN : amide:sc= -0.0546 X(o=-0.055,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 168:sc= -0.063 (180deg=-0.286) USER MOD Single : A 41 SER OG : rot 160:sc= -0.244 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.606 USER MOD Single : A 61 GLN : amide:sc= -1.39! K(o=-1.4!,f=-0.0094) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 83 ASN : amide:sc= -0.499 K(o=-0.5,f=-2.3) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0316 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -176:sc= -0.579 (180deg=-0.612) 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=-0.056) USER MOD Single : A 100 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-2.3) USER MOD Single : A 101 LYS NZ :NH3+ -152:sc= -0.196 (180deg=-0.833) USER MOD Single : A 103 LYS NZ :NH3+ -161:sc= -0.0414 (180deg=-0.288) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 172:sc= -0.0215 USER MOD Single : A 112 SER OG : rot 180:sc= -0.0598 USER MOD Single : A 115 ASN : amide:sc= -0.362 X(o=-0.36,f=-0.26) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 471 N ASN A 29 -19.180 -2.006 -36.322 1.00 31.21 N ATOM 472 CA ASN A 29 -20.459 -1.934 -37.020 1.00 24.10 C ATOM 473 C ASN A 29 -21.619 -2.164 -36.057 1.00 12.25 C ATOM 474 O ASN A 29 -22.591 -2.844 -36.389 1.00 41.41 O ATOM 475 CB ASN A 29 -20.506 -2.967 -38.148 1.00 35.12 C ATOM 476 CG ASN A 29 -19.759 -2.507 -39.385 1.00 2.43 C ATOM 477 OD1 ASN A 29 -18.772 -3.119 -39.791 1.00 3.51 O ATOM 478 ND2 ASN A 29 -20.229 -1.422 -39.990 1.00 42.24 N ATOM 0 HA ASN A 29 -20.556 -0.935 -37.445 1.00 24.10 H new ATOM 0 HB2 ASN A 29 -20.077 -3.905 -37.796 1.00 35.12 H new ATOM 0 HB3 ASN A 29 -21.545 -3.169 -38.409 1.00 35.12 H new ATOM 0 HD21 ASN A 29 -19.768 -1.065 -40.827 1.00 42.24 H new ATOM 0 HD22 ASN A 29 -21.051 -0.946 -39.618 1.00 42.24 H new ATOM 485 N ARG A 30 -21.510 -1.593 -34.861 1.00 3.23 N ATOM 486 CA ARG A 30 -22.550 -1.736 -33.849 1.00 5.32 C ATOM 487 C ARG A 30 -23.312 -0.427 -33.664 1.00 33.24 C ATOM 488 O ARG A 30 -22.941 0.603 -34.227 1.00 13.53 O ATOM 489 CB ARG A 30 -21.937 -2.174 -32.517 1.00 43.41 C ATOM 490 CG ARG A 30 -20.993 -1.147 -31.913 1.00 54.14 C ATOM 491 CD ARG A 30 -19.540 -1.485 -32.207 1.00 42.33 C ATOM 492 NE ARG A 30 -18.619 -0.670 -31.419 1.00 42.31 N ATOM 493 CZ ARG A 30 -18.385 0.615 -31.659 1.00 14.14 C ATOM 494 NH1 ARG A 30 -19.002 1.230 -32.659 1.00 10.12 N ATOM 495 NH2 ARG A 30 -17.532 1.290 -30.898 1.00 35.34 N ATOM 0 H ARG A 30 -20.713 -1.028 -34.570 1.00 3.23 H new ATOM 0 HA ARG A 30 -23.250 -2.499 -34.188 1.00 5.32 H new ATOM 0 HB2 ARG A 30 -22.739 -2.379 -31.808 1.00 43.41 H new ATOM 0 HB3 ARG A 30 -21.396 -3.109 -32.666 1.00 43.41 H new ATOM 0 HG2 ARG A 30 -21.226 -0.159 -32.311 1.00 54.14 H new ATOM 0 HG3 ARG A 30 -21.146 -1.100 -30.835 1.00 54.14 H new ATOM 0 HD2 ARG A 30 -19.363 -2.540 -31.995 1.00 42.33 H new ATOM 0 HD3 ARG A 30 -19.340 -1.335 -33.268 1.00 42.33 H new ATOM 0 HE ARG A 30 -18.129 -1.112 -30.642 1.00 42.31 H new ATOM 0 HH11 ARG A 30 -19.659 0.716 -33.246 1.00 10.12 H new ATOM 0 HH12 ARG A 30 -18.820 2.217 -32.841 1.00 10.12 H new ATOM 0 HH21 ARG A 30 -17.055 0.822 -30.128 1.00 35.34 H new ATOM 0 HH22 ARG A 30 -17.353 2.277 -31.084 1.00 35.34 H new ATOM 509 N ILE A 31 -24.378 -0.477 -32.873 1.00 54.03 N ATOM 510 CA ILE A 31 -25.193 0.704 -32.615 1.00 11.42 C ATOM 511 C ILE A 31 -25.066 1.152 -31.163 1.00 15.11 C ATOM 512 O ILE A 31 -25.651 0.563 -30.253 1.00 31.31 O ATOM 513 CB ILE A 31 -26.677 0.446 -32.934 1.00 2.14 C ATOM 514 CG1 ILE A 31 -27.085 -0.953 -32.470 1.00 65.41 C ATOM 515 CG2 ILE A 31 -26.935 0.613 -34.424 1.00 62.23 C ATOM 516 CD1 ILE A 31 -28.582 -1.141 -32.358 1.00 52.53 C ATOM 0 H ILE A 31 -24.698 -1.322 -32.400 1.00 54.03 H new ATOM 0 HA ILE A 31 -24.822 1.492 -33.270 1.00 11.42 H new ATOM 0 HB ILE A 31 -27.282 1.177 -32.397 1.00 2.14 H new ATOM 0 HG12 ILE A 31 -26.686 -1.689 -33.168 1.00 65.41 H new ATOM 0 HG13 ILE A 31 -26.629 -1.153 -31.501 1.00 65.41 H new ATOM 0 HG21 ILE A 31 -27.988 0.427 -34.634 1.00 62.23 H new ATOM 0 HG22 ILE A 31 -26.678 1.628 -34.726 1.00 62.23 H new ATOM 0 HG23 ILE A 31 -26.324 -0.097 -34.981 1.00 62.23 H new ATOM 0 HD11 ILE A 31 -28.797 -2.156 -32.024 1.00 52.53 H new ATOM 0 HD12 ILE A 31 -28.985 -0.429 -31.638 1.00 52.53 H new ATOM 0 HD13 ILE A 31 -29.044 -0.974 -33.331 1.00 52.53 H new ATOM 528 N PRO A 32 -24.288 2.220 -30.938 1.00 1.44 N ATOM 529 CA PRO A 32 -24.068 2.772 -29.598 1.00 33.22 C ATOM 530 C PRO A 32 -25.318 3.442 -29.035 1.00 3.02 C ATOM 531 O PRO A 32 -25.627 4.585 -29.372 1.00 1.24 O ATOM 532 CB PRO A 32 -22.960 3.805 -29.816 1.00 71.23 C ATOM 533 CG PRO A 32 -23.087 4.200 -31.247 1.00 35.01 C ATOM 534 CD PRO A 32 -23.561 2.972 -31.975 1.00 13.41 C ATOM 0 HA PRO A 32 -23.810 1.997 -28.876 1.00 33.22 H new ATOM 0 HB2 PRO A 32 -23.084 4.663 -29.156 1.00 71.23 H new ATOM 0 HB3 PRO A 32 -21.977 3.382 -29.608 1.00 71.23 H new ATOM 0 HG2 PRO A 32 -23.795 5.021 -31.364 1.00 35.01 H new ATOM 0 HG3 PRO A 32 -22.132 4.544 -31.643 1.00 35.01 H new ATOM 0 HD2 PRO A 32 -24.208 3.227 -32.814 1.00 13.41 H new ATOM 0 HD3 PRO A 32 -22.727 2.397 -32.378 1.00 13.41 H new ATOM 542 N VAL A 33 -26.033 2.723 -28.176 1.00 54.33 N ATOM 543 CA VAL A 33 -27.249 3.249 -27.566 1.00 21.23 C ATOM 544 C VAL A 33 -27.036 3.544 -26.085 1.00 21.23 C ATOM 545 O VAL A 33 -26.199 2.921 -25.431 1.00 71.23 O ATOM 546 CB VAL A 33 -28.424 2.266 -27.718 1.00 62.44 C ATOM 547 CG1 VAL A 33 -28.710 1.999 -29.188 1.00 61.22 C ATOM 548 CG2 VAL A 33 -28.132 0.968 -26.980 1.00 14.22 C ATOM 0 H VAL A 33 -25.792 1.775 -27.887 1.00 54.33 H new ATOM 0 HA VAL A 33 -27.490 4.175 -28.088 1.00 21.23 H new ATOM 0 HB VAL A 33 -29.312 2.718 -27.275 1.00 62.44 H new ATOM 0 HG11 VAL A 33 -29.543 1.302 -29.276 1.00 61.22 H new ATOM 0 HG12 VAL A 33 -28.966 2.935 -29.685 1.00 61.22 H new ATOM 0 HG13 VAL A 33 -27.826 1.568 -29.658 1.00 61.22 H new ATOM 0 HG21 VAL A 33 -28.973 0.285 -27.098 1.00 14.22 H new ATOM 0 HG22 VAL A 33 -27.232 0.510 -27.391 1.00 14.22 H new ATOM 0 HG23 VAL A 33 -27.981 1.178 -25.921 1.00 14.22 H new ATOM 558 N ILE A 34 -27.800 4.497 -25.562 1.00 14.52 N ATOM 559 CA ILE A 34 -27.696 4.874 -24.157 1.00 75.44 C ATOM 560 C ILE A 34 -29.023 4.666 -23.433 1.00 44.02 C ATOM 561 O ILE A 34 -30.052 5.212 -23.834 1.00 43.13 O ATOM 562 CB ILE A 34 -27.262 6.342 -23.999 1.00 73.10 C ATOM 563 CG1 ILE A 34 -26.958 6.652 -22.531 1.00 74.11 C ATOM 564 CG2 ILE A 34 -28.341 7.274 -24.530 1.00 11.23 C ATOM 565 CD1 ILE A 34 -26.046 7.843 -22.341 1.00 22.34 C ATOM 0 H ILE A 34 -28.498 5.022 -26.089 1.00 14.52 H new ATOM 0 HA ILE A 34 -26.937 4.230 -23.712 1.00 75.44 H new ATOM 0 HB ILE A 34 -26.354 6.501 -24.580 1.00 73.10 H new ATOM 0 HG12 ILE A 34 -27.895 6.835 -22.005 1.00 74.11 H new ATOM 0 HG13 ILE A 34 -26.500 5.777 -22.071 1.00 74.11 H new ATOM 0 HG21 ILE A 34 -28.019 8.309 -24.411 1.00 11.23 H new ATOM 0 HG22 ILE A 34 -28.513 7.067 -25.586 1.00 11.23 H new ATOM 0 HG23 ILE A 34 -29.265 7.115 -23.974 1.00 11.23 H new ATOM 0 HD11 ILE A 34 -25.874 8.004 -21.277 1.00 22.34 H new ATOM 0 HD12 ILE A 34 -25.094 7.655 -22.838 1.00 22.34 H new ATOM 0 HD13 ILE A 34 -26.511 8.730 -22.771 1.00 22.34 H new ATOM 577 N CYS A 35 -28.990 3.876 -22.366 1.00 54.52 N ATOM 578 CA CYS A 35 -30.190 3.598 -21.584 1.00 54.14 C ATOM 579 C CYS A 35 -30.456 4.714 -20.580 1.00 1.14 C ATOM 580 O CYS A 35 -29.595 5.047 -19.765 1.00 60.34 O ATOM 581 CB CYS A 35 -30.051 2.261 -20.855 1.00 44.45 C ATOM 582 SG CYS A 35 -31.547 1.247 -20.880 1.00 32.44 S ATOM 0 H CYS A 35 -28.146 3.417 -22.022 1.00 54.52 H new ATOM 0 HA CYS A 35 -31.035 3.543 -22.270 1.00 54.14 H new ATOM 0 HB2 CYS A 35 -29.235 1.697 -21.306 1.00 44.45 H new ATOM 0 HB3 CYS A 35 -29.772 2.452 -19.819 1.00 44.45 H new ATOM 0 HG CYS A 35 -31.244 0.035 -21.239 1.00 32.44 H new ATOM 588 N GLU A 36 -31.653 5.289 -20.644 1.00 12.01 N ATOM 589 CA GLU A 36 -32.030 6.369 -19.740 1.00 43.12 C ATOM 590 C GLU A 36 -33.013 5.877 -18.682 1.00 73.31 C ATOM 591 O GLU A 36 -33.484 4.740 -18.737 1.00 64.42 O ATOM 592 CB GLU A 36 -32.647 7.529 -20.526 1.00 1.15 C ATOM 593 CG GLU A 36 -31.624 8.380 -21.259 1.00 34.04 C ATOM 594 CD GLU A 36 -32.230 9.154 -22.413 1.00 2.34 C ATOM 595 OE1 GLU A 36 -33.166 8.632 -23.053 1.00 33.34 O ATOM 596 OE2 GLU A 36 -31.767 10.284 -22.676 1.00 35.12 O ATOM 0 H GLU A 36 -32.377 5.025 -21.312 1.00 12.01 H new ATOM 0 HA GLU A 36 -31.128 6.718 -19.237 1.00 43.12 H new ATOM 0 HB2 GLU A 36 -33.359 7.129 -21.248 1.00 1.15 H new ATOM 0 HB3 GLU A 36 -33.210 8.163 -19.840 1.00 1.15 H new ATOM 0 HG2 GLU A 36 -31.168 9.078 -20.557 1.00 34.04 H new ATOM 0 HG3 GLU A 36 -30.826 7.739 -21.635 1.00 34.04 H new ATOM 603 N LYS A 37 -33.320 6.740 -17.720 1.00 31.30 N ATOM 604 CA LYS A 37 -34.248 6.394 -16.650 1.00 13.15 C ATOM 605 C LYS A 37 -35.434 7.354 -16.627 1.00 4.31 C ATOM 606 O LYS A 37 -35.276 8.544 -16.360 1.00 5.21 O ATOM 607 CB LYS A 37 -33.532 6.421 -15.298 1.00 71.10 C ATOM 608 CG LYS A 37 -34.301 5.725 -14.188 1.00 21.15 C ATOM 609 CD LYS A 37 -33.999 6.339 -12.831 1.00 60.22 C ATOM 610 CE LYS A 37 -34.901 5.768 -11.748 1.00 21.30 C ATOM 611 NZ LYS A 37 -34.990 6.670 -10.567 1.00 23.34 N ATOM 0 H LYS A 37 -32.940 7.684 -17.659 1.00 31.30 H new ATOM 0 HA LYS A 37 -34.621 5.387 -16.838 1.00 13.15 H new ATOM 0 HB2 LYS A 37 -32.556 5.948 -15.404 1.00 71.10 H new ATOM 0 HB3 LYS A 37 -33.355 7.457 -15.011 1.00 71.10 H new ATOM 0 HG2 LYS A 37 -35.370 5.791 -14.388 1.00 21.15 H new ATOM 0 HG3 LYS A 37 -34.044 4.666 -14.175 1.00 21.15 H new ATOM 0 HD2 LYS A 37 -32.956 6.156 -12.572 1.00 60.22 H new ATOM 0 HD3 LYS A 37 -34.130 7.420 -12.882 1.00 60.22 H new ATOM 0 HE2 LYS A 37 -35.899 5.604 -12.156 1.00 21.30 H new ATOM 0 HE3 LYS A 37 -34.521 4.796 -11.434 1.00 21.30 H new ATOM 0 HZ1 LYS A 37 -35.614 6.245 -9.852 1.00 23.34 H new ATOM 0 HZ2 LYS A 37 -34.042 6.807 -10.162 1.00 23.34 H new ATOM 0 HZ3 LYS A 37 -35.377 7.590 -10.861 1.00 23.34 H new ATOM 625 N ALA A 38 -36.621 6.827 -16.907 1.00 72.50 N ATOM 626 CA ALA A 38 -37.833 7.636 -16.915 1.00 53.03 C ATOM 627 C ALA A 38 -37.976 8.424 -15.619 1.00 4.52 C ATOM 628 O ALA A 38 -37.221 8.216 -14.669 1.00 40.34 O ATOM 629 CB ALA A 38 -39.055 6.755 -17.136 1.00 61.03 C ATOM 0 H ALA A 38 -36.769 5.843 -17.131 1.00 72.50 H new ATOM 0 HA ALA A 38 -37.758 8.348 -17.737 1.00 53.03 H new ATOM 0 HB1 ALA A 38 -39.953 7.373 -17.140 1.00 61.03 H new ATOM 0 HB2 ALA A 38 -38.965 6.241 -18.093 1.00 61.03 H new ATOM 0 HB3 ALA A 38 -39.123 6.020 -16.334 1.00 61.03 H new ATOM 635 N GLU A 39 -38.947 9.332 -15.586 1.00 44.01 N ATOM 636 CA GLU A 39 -39.185 10.154 -14.405 1.00 30.51 C ATOM 637 C GLU A 39 -40.073 9.420 -13.403 1.00 33.12 C ATOM 638 O GLU A 39 -39.848 9.483 -12.194 1.00 45.31 O ATOM 639 CB GLU A 39 -39.835 11.481 -14.802 1.00 64.33 C ATOM 640 CG GLU A 39 -41.170 11.318 -15.509 1.00 72.23 C ATOM 641 CD GLU A 39 -41.747 12.640 -15.978 1.00 30.24 C ATOM 642 OE1 GLU A 39 -42.316 13.368 -15.138 1.00 32.11 O ATOM 643 OE2 GLU A 39 -41.631 12.945 -17.182 1.00 45.42 O ATOM 0 H GLU A 39 -39.581 9.517 -16.363 1.00 44.01 H new ATOM 0 HA GLU A 39 -38.223 10.356 -13.934 1.00 30.51 H new ATOM 0 HB2 GLU A 39 -39.979 12.087 -13.908 1.00 64.33 H new ATOM 0 HB3 GLU A 39 -39.154 12.029 -15.453 1.00 64.33 H new ATOM 0 HG2 GLU A 39 -41.045 10.656 -16.366 1.00 72.23 H new ATOM 0 HG3 GLU A 39 -41.878 10.836 -14.835 1.00 72.23 H new ATOM 650 N LYS A 40 -41.083 8.725 -13.915 1.00 25.34 N ATOM 651 CA LYS A 40 -42.005 7.978 -13.067 1.00 24.22 C ATOM 652 C LYS A 40 -41.960 6.489 -13.393 1.00 61.11 C ATOM 653 O LYS A 40 -42.529 6.044 -14.390 1.00 50.22 O ATOM 654 CB LYS A 40 -43.431 8.506 -13.241 1.00 34.14 C ATOM 655 CG LYS A 40 -44.245 8.491 -11.958 1.00 73.04 C ATOM 656 CD LYS A 40 -44.816 7.111 -11.677 1.00 4.44 C ATOM 657 CE LYS A 40 -46.257 6.997 -12.150 1.00 13.15 C ATOM 658 NZ LYS A 40 -46.346 6.871 -13.631 1.00 2.04 N ATOM 0 H LYS A 40 -41.284 8.663 -14.913 1.00 25.34 H new ATOM 0 HA LYS A 40 -41.697 8.114 -12.030 1.00 24.22 H new ATOM 0 HB2 LYS A 40 -43.388 9.526 -13.622 1.00 34.14 H new ATOM 0 HB3 LYS A 40 -43.943 7.906 -13.993 1.00 34.14 H new ATOM 0 HG2 LYS A 40 -43.617 8.803 -11.124 1.00 73.04 H new ATOM 0 HG3 LYS A 40 -45.057 9.214 -12.033 1.00 73.04 H new ATOM 0 HD2 LYS A 40 -44.208 6.356 -12.175 1.00 4.44 H new ATOM 0 HD3 LYS A 40 -44.766 6.906 -10.608 1.00 4.44 H new ATOM 0 HE2 LYS A 40 -46.725 6.130 -11.683 1.00 13.15 H new ATOM 0 HE3 LYS A 40 -46.816 7.875 -11.826 1.00 13.15 H new ATOM 0 HZ1 LYS A 40 -47.312 6.594 -13.898 1.00 2.04 H new ATOM 0 HZ2 LYS A 40 -46.113 7.784 -14.072 1.00 2.04 H new ATOM 0 HZ3 LYS A 40 -45.675 6.147 -13.959 1.00 2.04 H new ATOM 672 N SER A 41 -41.280 5.722 -12.546 1.00 31.30 N ATOM 673 CA SER A 41 -41.159 4.283 -12.746 1.00 71.14 C ATOM 674 C SER A 41 -40.623 3.603 -11.490 1.00 63.10 C ATOM 675 O SER A 41 -39.620 4.033 -10.918 1.00 73.11 O ATOM 676 CB SER A 41 -40.240 3.987 -13.932 1.00 41.14 C ATOM 677 OG SER A 41 -39.323 5.047 -14.143 1.00 61.33 O ATOM 0 H SER A 41 -40.805 6.074 -11.715 1.00 31.30 H new ATOM 0 HA SER A 41 -42.152 3.886 -12.957 1.00 71.14 H new ATOM 0 HB2 SER A 41 -39.695 3.061 -13.751 1.00 41.14 H new ATOM 0 HB3 SER A 41 -40.838 3.835 -14.831 1.00 41.14 H new ATOM 0 HG SER A 41 -38.562 4.722 -14.667 1.00 61.33 H new ATOM 683 N ASP A 42 -41.297 2.539 -11.066 1.00 55.44 N ATOM 684 CA ASP A 42 -40.889 1.799 -9.880 1.00 24.34 C ATOM 685 C ASP A 42 -39.657 0.947 -10.167 1.00 24.41 C ATOM 686 O ASP A 42 -39.082 0.343 -9.261 1.00 72.42 O ATOM 687 CB ASP A 42 -42.033 0.911 -9.387 1.00 32.41 C ATOM 688 CG ASP A 42 -43.177 1.714 -8.799 1.00 73.02 C ATOM 689 OD1 ASP A 42 -42.903 2.701 -8.085 1.00 50.52 O ATOM 690 OD2 ASP A 42 -44.345 1.356 -9.054 1.00 30.23 O ATOM 0 H ASP A 42 -42.129 2.171 -11.527 1.00 55.44 H new ATOM 0 HA ASP A 42 -40.637 2.520 -9.102 1.00 24.34 H new ATOM 0 HB2 ASP A 42 -42.404 0.308 -10.216 1.00 32.41 H new ATOM 0 HB3 ASP A 42 -41.654 0.219 -8.635 1.00 32.41 H new ATOM 695 N ILE A 43 -39.256 0.902 -11.434 1.00 13.42 N ATOM 696 CA ILE A 43 -38.093 0.125 -11.840 1.00 3.34 C ATOM 697 C ILE A 43 -36.799 0.802 -11.400 1.00 21.44 C ATOM 698 O ILE A 43 -36.605 2.003 -11.582 1.00 43.54 O ATOM 699 CB ILE A 43 -38.058 -0.080 -13.366 1.00 22.22 C ATOM 700 CG1 ILE A 43 -37.200 -1.297 -13.719 1.00 44.22 C ATOM 701 CG2 ILE A 43 -37.528 1.168 -14.057 1.00 25.11 C ATOM 702 CD1 ILE A 43 -37.389 -1.778 -15.141 1.00 12.41 C ATOM 0 H ILE A 43 -39.721 1.395 -12.196 1.00 13.42 H new ATOM 0 HA ILE A 43 -38.177 -0.846 -11.353 1.00 3.34 H new ATOM 0 HB ILE A 43 -39.074 -0.261 -13.717 1.00 22.22 H new ATOM 0 HG12 ILE A 43 -36.150 -1.048 -13.565 1.00 44.22 H new ATOM 0 HG13 ILE A 43 -37.439 -2.111 -13.034 1.00 44.22 H new ATOM 0 HG21 ILE A 43 -37.509 1.007 -15.135 1.00 25.11 H new ATOM 0 HG22 ILE A 43 -38.176 2.014 -13.828 1.00 25.11 H new ATOM 0 HG23 ILE A 43 -36.518 1.378 -13.704 1.00 25.11 H new ATOM 0 HD11 ILE A 43 -36.750 -2.643 -15.321 1.00 12.41 H new ATOM 0 HD12 ILE A 43 -38.431 -2.059 -15.295 1.00 12.41 H new ATOM 0 HD13 ILE A 43 -37.122 -0.980 -15.834 1.00 12.41 H new ATOM 714 N PRO A 44 -35.890 0.013 -10.807 1.00 33.50 N ATOM 715 CA PRO A 44 -34.597 0.514 -10.331 1.00 71.25 C ATOM 716 C PRO A 44 -33.665 0.892 -11.476 1.00 53.13 C ATOM 717 O PRO A 44 -33.747 0.331 -12.568 1.00 73.51 O ATOM 718 CB PRO A 44 -34.026 -0.670 -9.546 1.00 73.13 C ATOM 719 CG PRO A 44 -34.679 -1.870 -10.141 1.00 41.20 C ATOM 720 CD PRO A 44 -36.055 -1.429 -10.557 1.00 32.00 C ATOM 0 HA PRO A 44 -34.705 1.424 -9.740 1.00 71.25 H new ATOM 0 HB2 PRO A 44 -32.941 -0.722 -9.641 1.00 73.13 H new ATOM 0 HB3 PRO A 44 -34.249 -0.584 -8.483 1.00 73.13 H new ATOM 0 HG2 PRO A 44 -34.112 -2.239 -10.996 1.00 41.20 H new ATOM 0 HG3 PRO A 44 -34.732 -2.684 -9.418 1.00 41.20 H new ATOM 0 HD2 PRO A 44 -36.393 -1.955 -11.450 1.00 32.00 H new ATOM 0 HD3 PRO A 44 -36.791 -1.620 -9.776 1.00 32.00 H new ATOM 728 N GLU A 45 -32.778 1.849 -11.220 1.00 33.51 N ATOM 729 CA GLU A 45 -31.831 2.303 -12.231 1.00 23.40 C ATOM 730 C GLU A 45 -31.005 1.135 -12.766 1.00 32.12 C ATOM 731 O GLU A 45 -31.170 -0.005 -12.332 1.00 73.34 O ATOM 732 CB GLU A 45 -30.904 3.372 -11.650 1.00 3.53 C ATOM 733 CG GLU A 45 -29.674 2.803 -10.962 1.00 42.21 C ATOM 734 CD GLU A 45 -29.064 3.770 -9.965 1.00 22.03 C ATOM 735 OE1 GLU A 45 -28.375 4.715 -10.401 1.00 21.11 O ATOM 736 OE2 GLU A 45 -29.276 3.581 -8.748 1.00 62.42 O ATOM 0 H GLU A 45 -32.696 2.324 -10.321 1.00 33.51 H new ATOM 0 HA GLU A 45 -32.398 2.734 -13.056 1.00 23.40 H new ATOM 0 HB2 GLU A 45 -30.586 4.039 -12.451 1.00 3.53 H new ATOM 0 HB3 GLU A 45 -31.463 3.976 -10.935 1.00 3.53 H new ATOM 0 HG2 GLU A 45 -29.944 1.880 -10.449 1.00 42.21 H new ATOM 0 HG3 GLU A 45 -28.929 2.544 -11.714 1.00 42.21 H new ATOM 743 N ILE A 46 -30.120 1.429 -13.712 1.00 5.15 N ATOM 744 CA ILE A 46 -29.269 0.405 -14.306 1.00 3.15 C ATOM 745 C ILE A 46 -27.812 0.593 -13.894 1.00 31.24 C ATOM 746 O ILE A 46 -27.355 1.717 -13.684 1.00 53.24 O ATOM 747 CB ILE A 46 -29.362 0.418 -15.842 1.00 2.10 C ATOM 748 CG1 ILE A 46 -30.821 0.305 -16.288 1.00 4.10 C ATOM 749 CG2 ILE A 46 -28.532 -0.713 -16.432 1.00 51.53 C ATOM 750 CD1 ILE A 46 -31.431 -1.054 -16.019 1.00 50.41 C ATOM 0 H ILE A 46 -29.973 2.367 -14.084 1.00 5.15 H new ATOM 0 HA ILE A 46 -29.627 -0.556 -13.937 1.00 3.15 H new ATOM 0 HB ILE A 46 -28.963 1.364 -16.208 1.00 2.10 H new ATOM 0 HG12 ILE A 46 -31.409 1.066 -15.776 1.00 4.10 H new ATOM 0 HG13 ILE A 46 -30.884 0.518 -17.355 1.00 4.10 H new ATOM 0 HG21 ILE A 46 -28.608 -0.691 -17.519 1.00 51.53 H new ATOM 0 HG22 ILE A 46 -27.489 -0.591 -16.138 1.00 51.53 H new ATOM 0 HG23 ILE A 46 -28.904 -1.668 -16.062 1.00 51.53 H new ATOM 0 HD11 ILE A 46 -32.466 -1.062 -16.360 1.00 50.41 H new ATOM 0 HD12 ILE A 46 -30.867 -1.818 -16.553 1.00 50.41 H new ATOM 0 HD13 ILE A 46 -31.400 -1.261 -14.949 1.00 50.41 H new ATOM 762 N ASP A 47 -27.088 -0.515 -13.780 1.00 42.33 N ATOM 763 CA ASP A 47 -25.682 -0.472 -13.396 1.00 23.22 C ATOM 764 C ASP A 47 -24.782 -0.468 -14.628 1.00 71.32 C ATOM 765 O ASP A 47 -23.787 -1.191 -14.686 1.00 4.45 O ATOM 766 CB ASP A 47 -25.339 -1.665 -12.502 1.00 25.01 C ATOM 767 CG ASP A 47 -24.098 -1.423 -11.665 1.00 54.40 C ATOM 768 OD1 ASP A 47 -24.202 -0.710 -10.645 1.00 51.12 O ATOM 769 OD2 ASP A 47 -23.024 -1.945 -12.029 1.00 72.54 O ATOM 0 H ASP A 47 -27.451 -1.453 -13.948 1.00 42.33 H new ATOM 0 HA ASP A 47 -25.510 0.450 -12.840 1.00 23.22 H new ATOM 0 HB2 ASP A 47 -26.182 -1.877 -11.844 1.00 25.01 H new ATOM 0 HB3 ASP A 47 -25.189 -2.549 -13.122 1.00 25.01 H new ATOM 774 N LYS A 48 -25.139 0.349 -15.614 1.00 31.23 N ATOM 775 CA LYS A 48 -24.366 0.447 -16.845 1.00 25.30 C ATOM 776 C LYS A 48 -24.713 1.723 -17.605 1.00 60.25 C ATOM 777 O LYS A 48 -25.797 2.282 -17.436 1.00 71.40 O ATOM 778 CB LYS A 48 -24.621 -0.774 -17.732 1.00 13.21 C ATOM 779 CG LYS A 48 -23.516 -1.036 -18.739 1.00 23.42 C ATOM 780 CD LYS A 48 -23.954 -2.030 -19.802 1.00 60.34 C ATOM 781 CE LYS A 48 -22.761 -2.704 -20.462 1.00 4.42 C ATOM 782 NZ LYS A 48 -23.177 -3.825 -21.349 1.00 11.51 N ATOM 0 H LYS A 48 -25.960 0.953 -15.583 1.00 31.23 H new ATOM 0 HA LYS A 48 -23.309 0.479 -16.579 1.00 25.30 H new ATOM 0 HB2 LYS A 48 -24.740 -1.654 -17.099 1.00 13.21 H new ATOM 0 HB3 LYS A 48 -25.561 -0.635 -18.265 1.00 13.21 H new ATOM 0 HG2 LYS A 48 -23.225 -0.099 -19.214 1.00 23.42 H new ATOM 0 HG3 LYS A 48 -22.635 -1.418 -18.223 1.00 23.42 H new ATOM 0 HD2 LYS A 48 -24.597 -2.786 -19.351 1.00 60.34 H new ATOM 0 HD3 LYS A 48 -24.548 -1.517 -20.559 1.00 60.34 H new ATOM 0 HE2 LYS A 48 -22.204 -1.969 -21.043 1.00 4.42 H new ATOM 0 HE3 LYS A 48 -22.086 -3.080 -19.694 1.00 4.42 H new ATOM 0 HZ1 LYS A 48 -22.335 -4.258 -21.780 1.00 11.51 H new ATOM 0 HZ2 LYS A 48 -23.686 -4.539 -20.790 1.00 11.51 H new ATOM 0 HZ3 LYS A 48 -23.801 -3.462 -22.098 1.00 11.51 H new ATOM 796 N ARG A 49 -23.789 2.177 -18.445 1.00 65.32 N ATOM 797 CA ARG A 49 -23.999 3.386 -19.232 1.00 2.54 C ATOM 798 C ARG A 49 -24.120 3.055 -20.716 1.00 11.22 C ATOM 799 O ARG A 49 -25.213 3.086 -21.282 1.00 61.42 O ATOM 800 CB ARG A 49 -22.847 4.370 -19.011 1.00 34.52 C ATOM 801 CG ARG A 49 -22.876 5.046 -17.650 1.00 32.54 C ATOM 802 CD ARG A 49 -21.708 6.003 -17.478 1.00 72.32 C ATOM 803 NE ARG A 49 -20.439 5.297 -17.325 1.00 70.44 N ATOM 804 CZ ARG A 49 -20.104 4.615 -16.235 1.00 73.24 C ATOM 805 NH1 ARG A 49 -20.940 4.547 -15.209 1.00 12.53 N ATOM 806 NH2 ARG A 49 -18.931 3.998 -16.172 1.00 13.43 N ATOM 0 H ARG A 49 -22.887 1.726 -18.598 1.00 65.32 H new ATOM 0 HA ARG A 49 -24.931 3.846 -18.903 1.00 2.54 H new ATOM 0 HB2 ARG A 49 -21.901 3.840 -19.124 1.00 34.52 H new ATOM 0 HB3 ARG A 49 -22.879 5.134 -19.788 1.00 34.52 H new ATOM 0 HG2 ARG A 49 -23.813 5.590 -17.533 1.00 32.54 H new ATOM 0 HG3 ARG A 49 -22.846 4.289 -16.866 1.00 32.54 H new ATOM 0 HD2 ARG A 49 -21.652 6.666 -18.342 1.00 72.32 H new ATOM 0 HD3 ARG A 49 -21.880 6.632 -16.605 1.00 72.32 H new ATOM 0 HE ARG A 49 -19.773 5.329 -18.097 1.00 70.44 H new ATOM 0 HH11 ARG A 49 -21.843 5.019 -15.255 1.00 12.53 H new ATOM 0 HH12 ARG A 49 -20.680 4.023 -14.373 1.00 12.53 H new ATOM 0 HH21 ARG A 49 -18.286 4.047 -16.961 1.00 13.43 H new ATOM 0 HH22 ARG A 49 -18.674 3.475 -15.335 1.00 13.43 H new ATOM 820 N LYS A 50 -22.991 2.738 -21.341 1.00 52.14 N ATOM 821 CA LYS A 50 -22.971 2.400 -22.759 1.00 44.13 C ATOM 822 C LYS A 50 -23.583 1.024 -23.000 1.00 52.30 C ATOM 823 O LYS A 50 -23.218 0.048 -22.344 1.00 43.44 O ATOM 824 CB LYS A 50 -21.536 2.432 -23.291 1.00 31.04 C ATOM 825 CG LYS A 50 -21.059 3.822 -23.672 1.00 44.11 C ATOM 826 CD LYS A 50 -19.624 3.801 -24.174 1.00 54.33 C ATOM 827 CE LYS A 50 -18.629 3.863 -23.025 1.00 55.25 C ATOM 828 NZ LYS A 50 -17.223 3.882 -23.511 1.00 24.31 N ATOM 0 H LYS A 50 -22.078 2.708 -20.888 1.00 52.14 H new ATOM 0 HA LYS A 50 -23.567 3.141 -23.292 1.00 44.13 H new ATOM 0 HB2 LYS A 50 -20.868 2.023 -22.534 1.00 31.04 H new ATOM 0 HB3 LYS A 50 -21.466 1.782 -24.163 1.00 31.04 H new ATOM 0 HG2 LYS A 50 -21.710 4.232 -24.444 1.00 44.11 H new ATOM 0 HG3 LYS A 50 -21.134 4.483 -22.808 1.00 44.11 H new ATOM 0 HD2 LYS A 50 -19.454 2.894 -24.755 1.00 54.33 H new ATOM 0 HD3 LYS A 50 -19.460 4.645 -24.844 1.00 54.33 H new ATOM 0 HE2 LYS A 50 -18.819 4.755 -22.428 1.00 55.25 H new ATOM 0 HE3 LYS A 50 -18.776 3.004 -22.371 1.00 55.25 H new ATOM 0 HZ1 LYS A 50 -16.575 3.924 -22.698 1.00 24.31 H new ATOM 0 HZ2 LYS A 50 -17.034 3.019 -24.060 1.00 24.31 H new ATOM 0 HZ3 LYS A 50 -17.076 4.716 -24.115 1.00 24.31 H new ATOM 842 N TYR A 51 -24.515 0.953 -23.944 1.00 4.43 N ATOM 843 CA TYR A 51 -25.178 -0.303 -24.271 1.00 31.02 C ATOM 844 C TYR A 51 -24.664 -0.864 -25.593 1.00 2.12 C ATOM 845 O TYR A 51 -25.113 -0.464 -26.667 1.00 73.21 O ATOM 846 CB TYR A 51 -26.692 -0.100 -24.344 1.00 34.10 C ATOM 847 CG TYR A 51 -27.414 -0.449 -23.062 1.00 63.14 C ATOM 848 CD1 TYR A 51 -26.979 0.047 -21.840 1.00 24.30 C ATOM 849 CD2 TYR A 51 -28.531 -1.275 -23.074 1.00 33.33 C ATOM 850 CE1 TYR A 51 -27.634 -0.270 -20.666 1.00 14.32 C ATOM 851 CE2 TYR A 51 -29.194 -1.596 -21.905 1.00 32.24 C ATOM 852 CZ TYR A 51 -28.742 -1.092 -20.704 1.00 23.24 C ATOM 853 OH TYR A 51 -29.398 -1.409 -19.536 1.00 61.43 O ATOM 0 H TYR A 51 -24.828 1.751 -24.496 1.00 4.43 H new ATOM 0 HA TYR A 51 -24.951 -1.020 -23.482 1.00 31.02 H new ATOM 0 HB2 TYR A 51 -26.899 0.940 -24.595 1.00 34.10 H new ATOM 0 HB3 TYR A 51 -27.093 -0.709 -25.154 1.00 34.10 H new ATOM 0 HD1 TYR A 51 -26.113 0.692 -21.807 1.00 24.30 H new ATOM 0 HD2 TYR A 51 -28.887 -1.673 -24.013 1.00 33.33 H new ATOM 0 HE1 TYR A 51 -27.281 0.123 -19.724 1.00 14.32 H new ATOM 0 HE2 TYR A 51 -30.062 -2.238 -21.932 1.00 32.24 H new ATOM 0 HH TYR A 51 -30.157 -1.996 -19.736 1.00 61.43 H new ATOM 863 N LEU A 52 -23.718 -1.793 -25.506 1.00 52.31 N ATOM 864 CA LEU A 52 -23.141 -2.411 -26.694 1.00 71.52 C ATOM 865 C LEU A 52 -24.160 -3.307 -27.392 1.00 13.54 C ATOM 866 O LEU A 52 -24.292 -4.487 -27.066 1.00 41.20 O ATOM 867 CB LEU A 52 -21.902 -3.226 -26.320 1.00 14.14 C ATOM 868 CG LEU A 52 -20.635 -2.927 -27.122 1.00 13.15 C ATOM 869 CD1 LEU A 52 -20.934 -2.930 -28.613 1.00 14.33 C ATOM 870 CD2 LEU A 52 -20.037 -1.593 -26.698 1.00 74.42 C ATOM 0 H LEU A 52 -23.335 -2.135 -24.625 1.00 52.31 H new ATOM 0 HA LEU A 52 -22.852 -1.616 -27.381 1.00 71.52 H new ATOM 0 HB2 LEU A 52 -21.687 -3.060 -25.264 1.00 14.14 H new ATOM 0 HB3 LEU A 52 -22.139 -4.284 -26.434 1.00 14.14 H new ATOM 0 HG LEU A 52 -19.905 -3.710 -26.917 1.00 13.15 H new ATOM 0 HD11 LEU A 52 -20.021 -2.715 -29.168 1.00 14.33 H new ATOM 0 HD12 LEU A 52 -21.315 -3.908 -28.906 1.00 14.33 H new ATOM 0 HD13 LEU A 52 -21.681 -2.168 -28.836 1.00 14.33 H new ATOM 0 HD21 LEU A 52 -19.136 -1.397 -27.279 1.00 74.42 H new ATOM 0 HD22 LEU A 52 -20.762 -0.798 -26.872 1.00 74.42 H new ATOM 0 HD23 LEU A 52 -19.784 -1.628 -25.638 1.00 74.42 H new ATOM 882 N VAL A 53 -24.879 -2.739 -28.355 1.00 1.31 N ATOM 883 CA VAL A 53 -25.884 -3.486 -29.101 1.00 50.22 C ATOM 884 C VAL A 53 -25.426 -3.746 -30.531 1.00 40.04 C ATOM 885 O VAL A 53 -25.052 -2.832 -31.267 1.00 13.41 O ATOM 886 CB VAL A 53 -27.230 -2.738 -29.134 1.00 33.34 C ATOM 887 CG1 VAL A 53 -28.289 -3.573 -29.838 1.00 0.01 C ATOM 888 CG2 VAL A 53 -27.674 -2.379 -27.723 1.00 62.21 C ATOM 0 H VAL A 53 -24.784 -1.763 -28.637 1.00 1.31 H new ATOM 0 HA VAL A 53 -26.018 -4.437 -28.586 1.00 50.22 H new ATOM 0 HB VAL A 53 -27.098 -1.814 -29.696 1.00 33.34 H new ATOM 0 HG11 VAL A 53 -29.233 -3.028 -29.851 1.00 0.01 H new ATOM 0 HG12 VAL A 53 -27.972 -3.775 -30.861 1.00 0.01 H new ATOM 0 HG13 VAL A 53 -28.422 -4.515 -29.307 1.00 0.01 H new ATOM 0 HG21 VAL A 53 -28.627 -1.851 -27.765 1.00 62.21 H new ATOM 0 HG22 VAL A 53 -27.789 -3.290 -27.135 1.00 62.21 H new ATOM 0 HG23 VAL A 53 -26.925 -1.739 -27.257 1.00 62.21 H new ATOM 898 N PRO A 54 -25.454 -5.024 -30.938 1.00 61.24 N ATOM 899 CA PRO A 54 -25.046 -5.435 -32.285 1.00 23.22 C ATOM 900 C PRO A 54 -26.027 -4.969 -33.356 1.00 20.42 C ATOM 901 O PRO A 54 -27.208 -4.763 -33.081 1.00 72.03 O ATOM 902 CB PRO A 54 -25.033 -6.963 -32.200 1.00 44.24 C ATOM 903 CG PRO A 54 -25.992 -7.291 -31.108 1.00 44.01 C ATOM 904 CD PRO A 54 -25.888 -6.166 -30.117 1.00 13.25 C ATOM 0 HA PRO A 54 -24.087 -5.002 -32.571 1.00 23.22 H new ATOM 0 HB2 PRO A 54 -25.339 -7.414 -33.144 1.00 44.24 H new ATOM 0 HB3 PRO A 54 -24.035 -7.338 -31.976 1.00 44.24 H new ATOM 0 HG2 PRO A 54 -27.008 -7.379 -31.494 1.00 44.01 H new ATOM 0 HG3 PRO A 54 -25.743 -8.245 -30.643 1.00 44.01 H new ATOM 0 HD2 PRO A 54 -26.843 -5.970 -29.630 1.00 13.25 H new ATOM 0 HD3 PRO A 54 -25.169 -6.390 -29.329 1.00 13.25 H new ATOM 912 N ALA A 55 -25.529 -4.805 -34.577 1.00 22.51 N ATOM 913 CA ALA A 55 -26.361 -4.367 -35.690 1.00 33.40 C ATOM 914 C ALA A 55 -27.414 -5.416 -36.035 1.00 54.41 C ATOM 915 O ALA A 55 -28.334 -5.154 -36.810 1.00 2.51 O ATOM 916 CB ALA A 55 -25.500 -4.061 -36.906 1.00 14.13 C ATOM 0 H ALA A 55 -24.552 -4.969 -34.820 1.00 22.51 H new ATOM 0 HA ALA A 55 -26.878 -3.457 -35.387 1.00 33.40 H new ATOM 0 HB1 ALA A 55 -26.136 -3.735 -37.729 1.00 14.13 H new ATOM 0 HB2 ALA A 55 -24.791 -3.271 -36.660 1.00 14.13 H new ATOM 0 HB3 ALA A 55 -24.955 -4.958 -37.201 1.00 14.13 H new ATOM 922 N ASP A 56 -27.272 -6.602 -35.454 1.00 50.44 N ATOM 923 CA ASP A 56 -28.211 -7.690 -35.701 1.00 21.13 C ATOM 924 C ASP A 56 -29.100 -7.926 -34.484 1.00 32.13 C ATOM 925 O ASP A 56 -29.682 -9.000 -34.325 1.00 71.31 O ATOM 926 CB ASP A 56 -27.456 -8.973 -36.052 1.00 72.20 C ATOM 927 CG ASP A 56 -28.378 -10.070 -36.549 1.00 73.13 C ATOM 928 OD1 ASP A 56 -29.407 -9.741 -37.178 1.00 0.34 O ATOM 929 OD2 ASP A 56 -28.072 -11.256 -36.309 1.00 53.21 O ATOM 0 H ASP A 56 -26.517 -6.834 -34.809 1.00 50.44 H new ATOM 0 HA ASP A 56 -28.844 -7.408 -36.542 1.00 21.13 H new ATOM 0 HB2 ASP A 56 -26.711 -8.755 -36.817 1.00 72.20 H new ATOM 0 HB3 ASP A 56 -26.917 -9.326 -35.173 1.00 72.20 H new ATOM 934 N LEU A 57 -29.202 -6.916 -33.626 1.00 64.32 N ATOM 935 CA LEU A 57 -30.019 -7.013 -32.422 1.00 73.33 C ATOM 936 C LEU A 57 -31.462 -6.613 -32.711 1.00 73.22 C ATOM 937 O LEU A 57 -31.719 -5.612 -33.381 1.00 15.23 O ATOM 938 CB LEU A 57 -29.443 -6.126 -31.319 1.00 13.45 C ATOM 939 CG LEU A 57 -29.567 -6.663 -29.892 1.00 14.23 C ATOM 940 CD1 LEU A 57 -31.030 -6.766 -29.486 1.00 4.34 C ATOM 941 CD2 LEU A 57 -28.882 -8.016 -29.770 1.00 43.32 C ATOM 0 H LEU A 57 -28.728 -6.020 -33.743 1.00 64.32 H new ATOM 0 HA LEU A 57 -30.009 -8.050 -32.087 1.00 73.33 H new ATOM 0 HB2 LEU A 57 -28.388 -5.956 -31.531 1.00 13.45 H new ATOM 0 HB3 LEU A 57 -29.938 -5.156 -31.365 1.00 13.45 H new ATOM 0 HG LEU A 57 -29.072 -5.965 -29.217 1.00 14.23 H new ATOM 0 HD11 LEU A 57 -31.099 -7.150 -28.468 1.00 4.34 H new ATOM 0 HD12 LEU A 57 -31.491 -5.780 -29.534 1.00 4.34 H new ATOM 0 HD13 LEU A 57 -31.549 -7.443 -30.165 1.00 4.34 H new ATOM 0 HD21 LEU A 57 -28.980 -8.383 -28.748 1.00 43.32 H new ATOM 0 HD22 LEU A 57 -29.349 -8.723 -30.456 1.00 43.32 H new ATOM 0 HD23 LEU A 57 -27.826 -7.913 -30.018 1.00 43.32 H new ATOM 953 N THR A 58 -32.404 -7.402 -32.201 1.00 2.31 N ATOM 954 CA THR A 58 -33.821 -7.130 -32.402 1.00 42.32 C ATOM 955 C THR A 58 -34.462 -6.583 -31.132 1.00 74.55 C ATOM 956 O THR A 58 -33.995 -6.850 -30.025 1.00 53.33 O ATOM 957 CB THR A 58 -34.579 -8.396 -32.843 1.00 62.13 C ATOM 958 OG1 THR A 58 -34.686 -9.309 -31.745 1.00 72.23 O ATOM 959 CG2 THR A 58 -33.869 -9.075 -34.006 1.00 13.43 C ATOM 0 H THR A 58 -32.210 -8.235 -31.645 1.00 2.31 H new ATOM 0 HA THR A 58 -33.890 -6.381 -33.191 1.00 42.32 H new ATOM 0 HB THR A 58 -35.576 -8.101 -33.169 1.00 62.13 H new ATOM 0 HG1 THR A 58 -35.171 -10.111 -32.032 1.00 72.23 H new ATOM 0 HG21 THR A 58 -34.423 -9.967 -34.300 1.00 13.43 H new ATOM 0 HG22 THR A 58 -33.814 -8.387 -34.850 1.00 13.43 H new ATOM 0 HG23 THR A 58 -32.861 -9.358 -33.702 1.00 13.43 H new ATOM 967 N VAL A 59 -35.537 -5.819 -31.298 1.00 52.23 N ATOM 968 CA VAL A 59 -36.244 -5.236 -30.164 1.00 31.10 C ATOM 969 C VAL A 59 -36.582 -6.298 -29.124 1.00 71.33 C ATOM 970 O VAL A 59 -36.392 -6.091 -27.926 1.00 73.35 O ATOM 971 CB VAL A 59 -37.543 -4.539 -30.611 1.00 42.30 C ATOM 972 CG1 VAL A 59 -38.338 -4.066 -29.403 1.00 21.30 C ATOM 973 CG2 VAL A 59 -37.230 -3.377 -31.541 1.00 11.32 C ATOM 0 H VAL A 59 -35.937 -5.589 -32.208 1.00 52.23 H new ATOM 0 HA VAL A 59 -35.578 -4.496 -29.721 1.00 31.10 H new ATOM 0 HB VAL A 59 -38.152 -5.259 -31.158 1.00 42.30 H new ATOM 0 HG11 VAL A 59 -39.252 -3.576 -29.738 1.00 21.30 H new ATOM 0 HG12 VAL A 59 -38.593 -4.922 -28.778 1.00 21.30 H new ATOM 0 HG13 VAL A 59 -37.739 -3.361 -28.827 1.00 21.30 H new ATOM 0 HG21 VAL A 59 -38.159 -2.896 -31.847 1.00 11.32 H new ATOM 0 HG22 VAL A 59 -36.601 -2.654 -31.021 1.00 11.32 H new ATOM 0 HG23 VAL A 59 -36.706 -3.747 -32.422 1.00 11.32 H new ATOM 983 N GLY A 60 -37.085 -7.437 -29.590 1.00 22.41 N ATOM 984 CA GLY A 60 -37.442 -8.515 -28.687 1.00 23.13 C ATOM 985 C GLY A 60 -36.247 -9.055 -27.928 1.00 3.35 C ATOM 986 O GLY A 60 -36.333 -9.319 -26.728 1.00 71.32 O ATOM 0 H GLY A 60 -37.252 -7.632 -30.577 1.00 22.41 H new ATOM 0 HA2 GLY A 60 -38.188 -8.158 -27.977 1.00 23.13 H new ATOM 0 HA3 GLY A 60 -37.903 -9.323 -29.255 1.00 23.13 H new ATOM 990 N GLN A 61 -35.128 -9.220 -28.626 1.00 71.23 N ATOM 991 CA GLN A 61 -33.911 -9.733 -28.010 1.00 31.22 C ATOM 992 C GLN A 61 -33.369 -8.754 -26.973 1.00 75.22 C ATOM 993 O GLN A 61 -32.988 -9.147 -25.871 1.00 33.43 O ATOM 994 CB GLN A 61 -32.849 -10.004 -29.077 1.00 22.15 C ATOM 995 CG GLN A 61 -32.128 -11.330 -28.895 1.00 31.22 C ATOM 996 CD GLN A 61 -31.404 -11.778 -30.150 1.00 10.30 C ATOM 997 OE1 GLN A 61 -31.480 -12.942 -30.542 1.00 21.32 O ATOM 998 NE2 GLN A 61 -30.697 -10.852 -30.787 1.00 23.23 N ATOM 0 H GLN A 61 -35.039 -9.006 -29.619 1.00 71.23 H new ATOM 0 HA GLN A 61 -34.156 -10.668 -27.506 1.00 31.22 H new ATOM 0 HB2 GLN A 61 -33.321 -9.988 -30.059 1.00 22.15 H new ATOM 0 HB3 GLN A 61 -32.117 -9.197 -29.062 1.00 22.15 H new ATOM 0 HG2 GLN A 61 -31.411 -11.240 -28.079 1.00 31.22 H new ATOM 0 HG3 GLN A 61 -32.849 -12.094 -28.604 1.00 31.22 H new ATOM 0 HE21 GLN A 61 -30.662 -9.899 -30.426 1.00 23.23 H new ATOM 0 HE22 GLN A 61 -30.189 -11.094 -31.638 1.00 23.23 H new ATOM 1007 N PHE A 62 -33.339 -7.476 -27.335 1.00 44.33 N ATOM 1008 CA PHE A 62 -32.843 -6.439 -26.437 1.00 53.45 C ATOM 1009 C PHE A 62 -33.669 -6.390 -25.155 1.00 22.14 C ATOM 1010 O PHE A 62 -33.122 -6.333 -24.053 1.00 11.05 O ATOM 1011 CB PHE A 62 -32.876 -5.075 -27.131 1.00 12.11 C ATOM 1012 CG PHE A 62 -32.374 -3.952 -26.269 1.00 32.31 C ATOM 1013 CD1 PHE A 62 -31.413 -4.183 -25.299 1.00 5.55 C ATOM 1014 CD2 PHE A 62 -32.865 -2.666 -26.429 1.00 23.13 C ATOM 1015 CE1 PHE A 62 -30.949 -3.151 -24.504 1.00 32.11 C ATOM 1016 CE2 PHE A 62 -32.406 -1.630 -25.637 1.00 30.31 C ATOM 1017 CZ PHE A 62 -31.446 -1.873 -24.673 1.00 43.22 C ATOM 0 H PHE A 62 -33.652 -7.133 -28.243 1.00 44.33 H new ATOM 0 HA PHE A 62 -31.813 -6.681 -26.176 1.00 53.45 H new ATOM 0 HB2 PHE A 62 -32.274 -5.123 -28.038 1.00 12.11 H new ATOM 0 HB3 PHE A 62 -33.899 -4.857 -27.438 1.00 12.11 H new ATOM 0 HD1 PHE A 62 -31.022 -5.180 -25.162 1.00 5.55 H new ATOM 0 HD2 PHE A 62 -33.615 -2.471 -27.181 1.00 23.13 H new ATOM 0 HE1 PHE A 62 -30.199 -3.344 -23.752 1.00 32.11 H new ATOM 0 HE2 PHE A 62 -32.797 -0.632 -25.771 1.00 30.31 H new ATOM 0 HZ PHE A 62 -31.085 -1.066 -24.053 1.00 43.22 H new ATOM 1027 N VAL A 63 -34.989 -6.412 -25.307 1.00 12.34 N ATOM 1028 CA VAL A 63 -35.891 -6.371 -24.162 1.00 12.33 C ATOM 1029 C VAL A 63 -35.781 -7.644 -23.330 1.00 15.23 C ATOM 1030 O VAL A 63 -35.886 -7.607 -22.103 1.00 51.42 O ATOM 1031 CB VAL A 63 -37.354 -6.185 -24.606 1.00 62.45 C ATOM 1032 CG1 VAL A 63 -38.285 -6.209 -23.403 1.00 42.43 C ATOM 1033 CG2 VAL A 63 -37.512 -4.890 -25.389 1.00 74.43 C ATOM 0 H VAL A 63 -35.458 -6.458 -26.212 1.00 12.34 H new ATOM 0 HA VAL A 63 -35.593 -5.517 -23.554 1.00 12.33 H new ATOM 0 HB VAL A 63 -37.625 -7.013 -25.260 1.00 62.45 H new ATOM 0 HG11 VAL A 63 -39.314 -6.076 -23.737 1.00 42.43 H new ATOM 0 HG12 VAL A 63 -38.191 -7.166 -22.889 1.00 42.43 H new ATOM 0 HG13 VAL A 63 -38.018 -5.402 -22.720 1.00 42.43 H new ATOM 0 HG21 VAL A 63 -38.552 -4.774 -25.695 1.00 74.43 H new ATOM 0 HG22 VAL A 63 -37.223 -4.047 -24.761 1.00 74.43 H new ATOM 0 HG23 VAL A 63 -36.875 -4.919 -26.273 1.00 74.43 H new ATOM 1043 N TYR A 64 -35.568 -8.768 -24.004 1.00 73.34 N ATOM 1044 CA TYR A 64 -35.446 -10.054 -23.328 1.00 35.04 C ATOM 1045 C TYR A 64 -34.257 -10.055 -22.372 1.00 10.13 C ATOM 1046 O TYR A 64 -34.386 -10.420 -21.202 1.00 52.42 O ATOM 1047 CB TYR A 64 -35.293 -11.180 -24.351 1.00 31.22 C ATOM 1048 CG TYR A 64 -36.575 -11.938 -24.613 1.00 22.03 C ATOM 1049 CD1 TYR A 64 -37.303 -12.493 -23.567 1.00 11.53 C ATOM 1050 CD2 TYR A 64 -37.058 -12.102 -25.905 1.00 4.14 C ATOM 1051 CE1 TYR A 64 -38.474 -13.188 -23.800 1.00 54.34 C ATOM 1052 CE2 TYR A 64 -38.228 -12.794 -26.148 1.00 30.13 C ATOM 1053 CZ TYR A 64 -38.933 -13.334 -25.093 1.00 23.41 C ATOM 1054 OH TYR A 64 -40.099 -14.026 -25.331 1.00 10.32 O ATOM 0 H TYR A 64 -35.476 -8.815 -25.019 1.00 73.34 H new ATOM 0 HA TYR A 64 -36.355 -10.220 -22.750 1.00 35.04 H new ATOM 0 HB2 TYR A 64 -34.931 -10.760 -25.289 1.00 31.22 H new ATOM 0 HB3 TYR A 64 -34.533 -11.878 -24.000 1.00 31.22 H new ATOM 0 HD1 TYR A 64 -36.947 -12.379 -22.554 1.00 11.53 H new ATOM 0 HD2 TYR A 64 -36.509 -11.681 -26.734 1.00 4.14 H new ATOM 0 HE1 TYR A 64 -39.026 -13.614 -22.976 1.00 54.34 H new ATOM 0 HE2 TYR A 64 -38.589 -12.912 -27.159 1.00 30.13 H new ATOM 0 HH TYR A 64 -40.283 -14.036 -26.294 1.00 10.32 H new ATOM 1064 N VAL A 65 -33.099 -9.644 -22.877 1.00 70.12 N ATOM 1065 CA VAL A 65 -31.886 -9.596 -22.070 1.00 23.32 C ATOM 1066 C VAL A 65 -31.985 -8.522 -20.994 1.00 1.53 C ATOM 1067 O VAL A 65 -31.449 -8.677 -19.896 1.00 13.15 O ATOM 1068 CB VAL A 65 -30.643 -9.324 -22.939 1.00 15.10 C ATOM 1069 CG1 VAL A 65 -30.398 -10.479 -23.897 1.00 24.35 C ATOM 1070 CG2 VAL A 65 -30.802 -8.015 -23.699 1.00 21.41 C ATOM 0 H VAL A 65 -32.975 -9.339 -23.842 1.00 70.12 H new ATOM 0 HA VAL A 65 -31.782 -10.572 -21.597 1.00 23.32 H new ATOM 0 HB VAL A 65 -29.775 -9.236 -22.285 1.00 15.10 H new ATOM 0 HG11 VAL A 65 -29.516 -10.269 -24.502 1.00 24.35 H new ATOM 0 HG12 VAL A 65 -30.238 -11.395 -23.329 1.00 24.35 H new ATOM 0 HG13 VAL A 65 -31.264 -10.602 -24.548 1.00 24.35 H new ATOM 0 HG21 VAL A 65 -29.915 -7.838 -24.308 1.00 21.41 H new ATOM 0 HG22 VAL A 65 -31.679 -8.073 -24.343 1.00 21.41 H new ATOM 0 HG23 VAL A 65 -30.925 -7.196 -22.991 1.00 21.41 H new ATOM 1080 N ILE A 66 -32.674 -7.431 -21.315 1.00 32.30 N ATOM 1081 CA ILE A 66 -32.845 -6.332 -20.374 1.00 51.43 C ATOM 1082 C ILE A 66 -33.339 -6.835 -19.022 1.00 51.00 C ATOM 1083 O ILE A 66 -32.924 -6.341 -17.975 1.00 33.34 O ATOM 1084 CB ILE A 66 -33.834 -5.280 -20.911 1.00 23.35 C ATOM 1085 CG1 ILE A 66 -33.076 -4.100 -21.521 1.00 61.03 C ATOM 1086 CG2 ILE A 66 -34.757 -4.806 -19.798 1.00 54.21 C ATOM 1087 CD1 ILE A 66 -32.552 -3.121 -20.494 1.00 71.25 C ATOM 0 H ILE A 66 -33.122 -7.286 -22.220 1.00 32.30 H new ATOM 0 HA ILE A 66 -31.866 -5.869 -20.250 1.00 51.43 H new ATOM 0 HB ILE A 66 -34.442 -5.738 -21.691 1.00 23.35 H new ATOM 0 HG12 ILE A 66 -32.240 -4.480 -22.108 1.00 61.03 H new ATOM 0 HG13 ILE A 66 -33.735 -3.573 -22.210 1.00 61.03 H new ATOM 0 HG21 ILE A 66 -35.450 -4.063 -20.192 1.00 54.21 H new ATOM 0 HG22 ILE A 66 -35.318 -5.654 -19.405 1.00 54.21 H new ATOM 0 HG23 ILE A 66 -34.164 -4.361 -18.999 1.00 54.21 H new ATOM 0 HD11 ILE A 66 -32.026 -2.311 -20.999 1.00 71.25 H new ATOM 0 HD12 ILE A 66 -33.385 -2.712 -19.923 1.00 71.25 H new ATOM 0 HD13 ILE A 66 -31.867 -3.634 -19.819 1.00 71.25 H new ATOM 1099 N ARG A 67 -34.227 -7.823 -19.055 1.00 32.43 N ATOM 1100 CA ARG A 67 -34.779 -8.395 -17.832 1.00 61.22 C ATOM 1101 C ARG A 67 -33.668 -8.931 -16.933 1.00 45.40 C ATOM 1102 O ARG A 67 -33.736 -8.819 -15.709 1.00 22.41 O ATOM 1103 CB ARG A 67 -35.763 -9.518 -18.167 1.00 51.40 C ATOM 1104 CG ARG A 67 -36.601 -9.968 -16.981 1.00 3.50 C ATOM 1105 CD ARG A 67 -37.036 -11.418 -17.126 1.00 11.44 C ATOM 1106 NE ARG A 67 -35.996 -12.347 -16.694 1.00 34.23 N ATOM 1107 CZ ARG A 67 -36.024 -13.651 -16.949 1.00 61.42 C ATOM 1108 NH1 ARG A 67 -37.033 -14.175 -17.630 1.00 73.55 N ATOM 1109 NH2 ARG A 67 -35.041 -14.433 -16.523 1.00 4.20 N ATOM 0 H ARG A 67 -34.580 -8.244 -19.914 1.00 32.43 H new ATOM 0 HA ARG A 67 -35.307 -7.605 -17.298 1.00 61.22 H new ATOM 0 HB2 ARG A 67 -36.427 -9.182 -18.964 1.00 51.40 H new ATOM 0 HB3 ARG A 67 -35.208 -10.373 -18.554 1.00 51.40 H new ATOM 0 HG2 ARG A 67 -36.027 -9.849 -16.062 1.00 3.50 H new ATOM 0 HG3 ARG A 67 -37.480 -9.330 -16.892 1.00 3.50 H new ATOM 0 HD2 ARG A 67 -37.939 -11.586 -16.539 1.00 11.44 H new ATOM 0 HD3 ARG A 67 -37.291 -11.618 -18.167 1.00 11.44 H new ATOM 0 HE ARG A 67 -35.205 -11.975 -16.168 1.00 34.23 H new ATOM 0 HH11 ARG A 67 -37.791 -13.577 -17.960 1.00 73.55 H new ATOM 0 HH12 ARG A 67 -37.052 -15.176 -17.824 1.00 73.55 H new ATOM 0 HH21 ARG A 67 -34.262 -14.034 -15.999 1.00 4.20 H new ATOM 0 HH22 ARG A 67 -35.064 -15.434 -16.719 1.00 4.20 H new ATOM 1123 N LYS A 68 -32.645 -9.513 -17.550 1.00 31.51 N ATOM 1124 CA LYS A 68 -31.518 -10.066 -16.807 1.00 61.33 C ATOM 1125 C LYS A 68 -30.554 -8.963 -16.380 1.00 32.43 C ATOM 1126 O LYS A 68 -29.723 -9.162 -15.494 1.00 74.21 O ATOM 1127 CB LYS A 68 -30.779 -11.103 -17.658 1.00 40.53 C ATOM 1128 CG LYS A 68 -30.027 -12.137 -16.839 1.00 71.12 C ATOM 1129 CD LYS A 68 -30.873 -13.375 -16.592 1.00 72.30 C ATOM 1130 CE LYS A 68 -30.043 -14.510 -16.013 1.00 3.01 C ATOM 1131 NZ LYS A 68 -30.852 -15.392 -15.127 1.00 63.40 N ATOM 0 H LYS A 68 -32.573 -9.614 -18.562 1.00 31.51 H new ATOM 0 HA LYS A 68 -31.908 -10.550 -15.912 1.00 61.33 H new ATOM 0 HB2 LYS A 68 -31.498 -11.613 -18.300 1.00 40.53 H new ATOM 0 HB3 LYS A 68 -30.076 -10.589 -18.313 1.00 40.53 H new ATOM 0 HG2 LYS A 68 -29.111 -12.419 -17.359 1.00 71.12 H new ATOM 0 HG3 LYS A 68 -29.731 -11.701 -15.885 1.00 71.12 H new ATOM 0 HD2 LYS A 68 -31.686 -13.131 -15.908 1.00 72.30 H new ATOM 0 HD3 LYS A 68 -31.330 -13.697 -17.528 1.00 72.30 H new ATOM 0 HE2 LYS A 68 -29.619 -15.101 -16.825 1.00 3.01 H new ATOM 0 HE3 LYS A 68 -29.207 -14.097 -15.449 1.00 3.01 H new ATOM 0 HZ1 LYS A 68 -30.251 -16.153 -14.752 1.00 63.40 H new ATOM 0 HZ2 LYS A 68 -31.236 -14.834 -14.338 1.00 63.40 H new ATOM 0 HZ3 LYS A 68 -31.636 -15.806 -15.671 1.00 63.40 H new ATOM 1145 N ARG A 69 -30.674 -7.802 -17.014 1.00 65.01 N ATOM 1146 CA ARG A 69 -29.814 -6.667 -16.699 1.00 24.23 C ATOM 1147 C ARG A 69 -30.266 -5.983 -15.412 1.00 61.23 C ATOM 1148 O ARG A 69 -29.490 -5.277 -14.767 1.00 71.32 O ATOM 1149 CB ARG A 69 -29.815 -5.663 -17.852 1.00 51.21 C ATOM 1150 CG ARG A 69 -28.424 -5.212 -18.269 1.00 35.41 C ATOM 1151 CD ARG A 69 -28.029 -3.916 -17.581 1.00 23.02 C ATOM 1152 NE ARG A 69 -27.294 -4.156 -16.342 1.00 11.15 N ATOM 1153 CZ ARG A 69 -26.006 -4.478 -16.301 1.00 41.12 C ATOM 1154 NH1 ARG A 69 -25.313 -4.596 -17.426 1.00 1.14 N ATOM 1155 NH2 ARG A 69 -25.407 -4.680 -15.134 1.00 75.51 N ATOM 0 H ARG A 69 -31.358 -7.622 -17.749 1.00 65.01 H new ATOM 0 HA ARG A 69 -28.800 -7.041 -16.554 1.00 24.23 H new ATOM 0 HB2 ARG A 69 -30.316 -6.110 -18.711 1.00 51.21 H new ATOM 0 HB3 ARG A 69 -30.399 -4.790 -17.562 1.00 51.21 H new ATOM 0 HG2 ARG A 69 -27.700 -5.990 -18.026 1.00 35.41 H new ATOM 0 HG3 ARG A 69 -28.394 -5.075 -19.350 1.00 35.41 H new ATOM 0 HD2 ARG A 69 -27.416 -3.319 -18.256 1.00 23.02 H new ATOM 0 HD3 ARG A 69 -28.924 -3.333 -17.364 1.00 23.02 H new ATOM 0 HE ARG A 69 -27.798 -4.072 -15.459 1.00 11.15 H new ATOM 0 HH11 ARG A 69 -25.769 -4.439 -18.325 1.00 1.14 H new ATOM 0 HH12 ARG A 69 -24.324 -4.843 -17.392 1.00 1.14 H new ATOM 0 HH21 ARG A 69 -25.936 -4.588 -14.267 1.00 75.51 H new ATOM 0 HH22 ARG A 69 -24.418 -4.927 -15.104 1.00 75.51 H new ATOM 1169 N ILE A 70 -31.526 -6.195 -15.047 1.00 22.13 N ATOM 1170 CA ILE A 70 -32.081 -5.599 -13.839 1.00 3.03 C ATOM 1171 C ILE A 70 -32.554 -6.672 -12.864 1.00 54.12 C ATOM 1172 O ILE A 70 -33.254 -6.379 -11.894 1.00 64.03 O ATOM 1173 CB ILE A 70 -33.258 -4.661 -14.163 1.00 75.21 C ATOM 1174 CG1 ILE A 70 -33.023 -3.956 -15.501 1.00 30.23 C ATOM 1175 CG2 ILE A 70 -33.449 -3.643 -13.048 1.00 64.13 C ATOM 1176 CD1 ILE A 70 -34.053 -2.893 -15.813 1.00 61.21 C ATOM 0 H ILE A 70 -32.181 -6.775 -15.571 1.00 22.13 H new ATOM 0 HA ILE A 70 -31.282 -5.019 -13.378 1.00 3.03 H new ATOM 0 HB ILE A 70 -34.167 -5.258 -14.242 1.00 75.21 H new ATOM 0 HG12 ILE A 70 -32.033 -3.500 -15.493 1.00 30.23 H new ATOM 0 HG13 ILE A 70 -33.026 -4.698 -16.299 1.00 30.23 H new ATOM 0 HG21 ILE A 70 -34.285 -2.988 -13.293 1.00 64.13 H new ATOM 0 HG22 ILE A 70 -33.657 -4.163 -12.113 1.00 64.13 H new ATOM 0 HG23 ILE A 70 -32.542 -3.049 -12.939 1.00 64.13 H new ATOM 0 HD11 ILE A 70 -33.824 -2.436 -16.775 1.00 61.21 H new ATOM 0 HD12 ILE A 70 -35.043 -3.347 -15.853 1.00 61.21 H new ATOM 0 HD13 ILE A 70 -34.035 -2.130 -15.035 1.00 61.21 H new ATOM 1188 N MET A 71 -32.166 -7.915 -13.127 1.00 32.32 N ATOM 1189 CA MET A 71 -32.549 -9.032 -12.271 1.00 72.22 C ATOM 1190 C MET A 71 -34.060 -9.061 -12.056 1.00 65.15 C ATOM 1191 O MET A 71 -34.542 -9.563 -11.041 1.00 14.11 O ATOM 1192 CB MET A 71 -31.832 -8.938 -10.923 1.00 32.32 C ATOM 1193 CG MET A 71 -30.381 -8.500 -11.035 1.00 64.42 C ATOM 1194 SD MET A 71 -29.362 -9.119 -9.683 1.00 3.23 S ATOM 1195 CE MET A 71 -29.400 -7.721 -8.562 1.00 74.42 C ATOM 0 H MET A 71 -31.587 -8.175 -13.926 1.00 32.32 H new ATOM 0 HA MET A 71 -32.254 -9.956 -12.768 1.00 72.22 H new ATOM 0 HB2 MET A 71 -32.367 -8.235 -10.285 1.00 32.32 H new ATOM 0 HB3 MET A 71 -31.873 -9.910 -10.431 1.00 32.32 H new ATOM 0 HG2 MET A 71 -29.972 -8.850 -11.983 1.00 64.42 H new ATOM 0 HG3 MET A 71 -30.334 -7.411 -11.051 1.00 64.42 H new ATOM 0 HE1 MET A 71 -28.812 -7.951 -7.673 1.00 74.42 H new ATOM 0 HE2 MET A 71 -28.981 -6.845 -9.058 1.00 74.42 H new ATOM 0 HE3 MET A 71 -30.430 -7.515 -8.272 1.00 74.42 H new ATOM 1205 N LEU A 72 -34.799 -8.520 -13.018 1.00 1.23 N ATOM 1206 CA LEU A 72 -36.254 -8.483 -12.934 1.00 74.21 C ATOM 1207 C LEU A 72 -36.841 -9.888 -13.025 1.00 22.24 C ATOM 1208 O LEU A 72 -36.618 -10.620 -13.989 1.00 53.32 O ATOM 1209 CB LEU A 72 -36.828 -7.606 -14.049 1.00 4.01 C ATOM 1210 CG LEU A 72 -38.032 -6.743 -13.673 1.00 22.24 C ATOM 1211 CD1 LEU A 72 -39.227 -7.617 -13.321 1.00 42.53 C ATOM 1212 CD2 LEU A 72 -37.684 -5.820 -12.513 1.00 34.44 C ATOM 0 H LEU A 72 -34.414 -8.101 -13.865 1.00 1.23 H new ATOM 0 HA LEU A 72 -36.526 -8.057 -11.968 1.00 74.21 H new ATOM 0 HB2 LEU A 72 -36.036 -6.951 -14.412 1.00 4.01 H new ATOM 0 HB3 LEU A 72 -37.114 -8.251 -14.880 1.00 4.01 H new ATOM 0 HG LEU A 72 -38.298 -6.129 -14.534 1.00 22.24 H new ATOM 0 HD11 LEU A 72 -40.075 -6.985 -13.056 1.00 42.53 H new ATOM 0 HD12 LEU A 72 -39.490 -8.236 -14.179 1.00 42.53 H new ATOM 0 HD13 LEU A 72 -38.973 -8.257 -12.476 1.00 42.53 H new ATOM 0 HD21 LEU A 72 -38.552 -5.213 -12.258 1.00 34.44 H new ATOM 0 HD22 LEU A 72 -37.392 -6.416 -11.649 1.00 34.44 H new ATOM 0 HD23 LEU A 72 -36.858 -5.169 -12.801 1.00 34.44 H new ATOM 1224 N PRO A 73 -37.610 -10.276 -11.997 1.00 14.14 N ATOM 1225 CA PRO A 73 -38.248 -11.595 -11.937 1.00 41.22 C ATOM 1226 C PRO A 73 -39.369 -11.744 -12.961 1.00 12.41 C ATOM 1227 O PRO A 73 -39.790 -10.780 -13.600 1.00 44.52 O ATOM 1228 CB PRO A 73 -38.810 -11.655 -10.515 1.00 11.40 C ATOM 1229 CG PRO A 73 -39.012 -10.230 -10.128 1.00 43.52 C ATOM 1230 CD PRO A 73 -37.919 -9.456 -10.813 1.00 3.44 C ATOM 0 HA PRO A 73 -37.546 -12.397 -12.165 1.00 41.22 H new ATOM 0 HB2 PRO A 73 -39.747 -12.211 -10.483 1.00 11.40 H new ATOM 0 HB3 PRO A 73 -38.119 -12.155 -9.837 1.00 11.40 H new ATOM 0 HG2 PRO A 73 -39.995 -9.876 -10.440 1.00 43.52 H new ATOM 0 HG3 PRO A 73 -38.958 -10.108 -9.046 1.00 43.52 H new ATOM 0 HD2 PRO A 73 -38.250 -8.456 -11.092 1.00 3.44 H new ATOM 0 HD3 PRO A 73 -37.048 -9.336 -10.169 1.00 3.44 H new ATOM 1238 N PRO A 74 -39.866 -12.979 -13.120 1.00 61.40 N ATOM 1239 CA PRO A 74 -40.946 -13.282 -14.064 1.00 31.34 C ATOM 1240 C PRO A 74 -42.283 -12.696 -13.622 1.00 2.11 C ATOM 1241 O PRO A 74 -43.265 -12.743 -14.362 1.00 11.51 O ATOM 1242 CB PRO A 74 -41.005 -14.811 -14.055 1.00 22.51 C ATOM 1243 CG PRO A 74 -40.454 -15.205 -12.728 1.00 21.01 C ATOM 1244 CD PRO A 74 -39.412 -14.175 -12.391 1.00 2.05 C ATOM 0 HA PRO A 74 -40.759 -12.854 -15.049 1.00 31.34 H new ATOM 0 HB2 PRO A 74 -42.027 -15.168 -14.181 1.00 22.51 H new ATOM 0 HB3 PRO A 74 -40.417 -15.234 -14.869 1.00 22.51 H new ATOM 0 HG2 PRO A 74 -41.238 -15.229 -11.971 1.00 21.01 H new ATOM 0 HG3 PRO A 74 -40.018 -16.203 -12.767 1.00 21.01 H new ATOM 0 HD2 PRO A 74 -39.358 -13.995 -11.317 1.00 2.05 H new ATOM 0 HD3 PRO A 74 -38.419 -14.488 -12.712 1.00 2.05 H new ATOM 1252 N GLU A 75 -42.311 -12.143 -12.414 1.00 34.51 N ATOM 1253 CA GLU A 75 -43.529 -11.548 -11.876 1.00 2.31 C ATOM 1254 C GLU A 75 -43.886 -10.267 -12.625 1.00 64.21 C ATOM 1255 O GLU A 75 -45.060 -9.939 -12.792 1.00 72.44 O ATOM 1256 CB GLU A 75 -43.361 -11.248 -10.385 1.00 22.23 C ATOM 1257 CG GLU A 75 -43.229 -12.494 -9.524 1.00 72.13 C ATOM 1258 CD GLU A 75 -44.545 -13.232 -9.362 1.00 64.51 C ATOM 1259 OE1 GLU A 75 -45.594 -12.560 -9.274 1.00 21.13 O ATOM 1260 OE2 GLU A 75 -44.524 -14.480 -9.324 1.00 74.31 O ATOM 0 H GLU A 75 -41.506 -12.094 -11.790 1.00 34.51 H new ATOM 0 HA GLU A 75 -44.340 -12.264 -12.007 1.00 2.31 H new ATOM 0 HB2 GLU A 75 -42.477 -10.625 -10.246 1.00 22.23 H new ATOM 0 HB3 GLU A 75 -44.217 -10.668 -10.041 1.00 22.23 H new ATOM 0 HG2 GLU A 75 -42.494 -13.163 -9.970 1.00 72.13 H new ATOM 0 HG3 GLU A 75 -42.850 -12.214 -8.541 1.00 72.13 H new ATOM 1267 N LYS A 76 -42.863 -9.547 -13.074 1.00 60.21 N ATOM 1268 CA LYS A 76 -43.066 -8.304 -13.807 1.00 51.15 C ATOM 1269 C LYS A 76 -42.236 -8.284 -15.086 1.00 51.22 C ATOM 1270 O LYS A 76 -41.218 -8.969 -15.188 1.00 54.41 O ATOM 1271 CB LYS A 76 -42.699 -7.104 -12.930 1.00 22.35 C ATOM 1272 CG LYS A 76 -43.603 -6.936 -11.721 1.00 73.41 C ATOM 1273 CD LYS A 76 -43.822 -5.470 -11.389 1.00 53.32 C ATOM 1274 CE LYS A 76 -44.777 -4.811 -12.374 1.00 64.15 C ATOM 1275 NZ LYS A 76 -45.115 -3.419 -11.972 1.00 50.51 N ATOM 0 H LYS A 76 -41.885 -9.804 -12.943 1.00 60.21 H new ATOM 0 HA LYS A 76 -44.120 -8.240 -14.078 1.00 51.15 H new ATOM 0 HB2 LYS A 76 -41.669 -7.214 -12.591 1.00 22.35 H new ATOM 0 HB3 LYS A 76 -42.741 -6.197 -13.533 1.00 22.35 H new ATOM 0 HG2 LYS A 76 -44.563 -7.414 -11.914 1.00 73.41 H new ATOM 0 HG3 LYS A 76 -43.162 -7.443 -10.862 1.00 73.41 H new ATOM 0 HD2 LYS A 76 -44.221 -5.380 -10.379 1.00 53.32 H new ATOM 0 HD3 LYS A 76 -42.866 -4.946 -11.402 1.00 53.32 H new ATOM 0 HE2 LYS A 76 -44.326 -4.803 -13.366 1.00 64.15 H new ATOM 0 HE3 LYS A 76 -45.691 -5.401 -12.444 1.00 64.15 H new ATOM 0 HZ1 LYS A 76 -45.767 -3.005 -12.668 1.00 50.51 H new ATOM 0 HZ2 LYS A 76 -45.568 -3.428 -11.036 1.00 50.51 H new ATOM 0 HZ3 LYS A 76 -44.246 -2.849 -11.930 1.00 50.51 H new ATOM 1289 N ALA A 77 -42.676 -7.494 -16.060 1.00 65.04 N ATOM 1290 CA ALA A 77 -41.971 -7.382 -17.332 1.00 2.34 C ATOM 1291 C ALA A 77 -41.719 -5.923 -17.693 1.00 14.20 C ATOM 1292 O ALA A 77 -42.416 -5.026 -17.216 1.00 42.45 O ATOM 1293 CB ALA A 77 -42.759 -8.074 -18.434 1.00 40.44 C ATOM 0 H ALA A 77 -43.518 -6.922 -15.993 1.00 65.04 H new ATOM 0 HA ALA A 77 -41.004 -7.874 -17.229 1.00 2.34 H new ATOM 0 HB1 ALA A 77 -42.222 -7.983 -19.378 1.00 40.44 H new ATOM 0 HB2 ALA A 77 -42.881 -9.128 -18.187 1.00 40.44 H new ATOM 0 HB3 ALA A 77 -43.739 -7.607 -18.528 1.00 40.44 H new ATOM 1299 N ILE A 78 -40.720 -5.691 -18.538 1.00 65.31 N ATOM 1300 CA ILE A 78 -40.377 -4.340 -18.964 1.00 1.43 C ATOM 1301 C ILE A 78 -40.055 -4.298 -20.454 1.00 13.40 C ATOM 1302 O ILE A 78 -39.732 -5.319 -21.058 1.00 64.33 O ATOM 1303 CB ILE A 78 -39.175 -3.788 -18.174 1.00 70.43 C ATOM 1304 CG1 ILE A 78 -38.038 -4.813 -18.153 1.00 15.21 C ATOM 1305 CG2 ILE A 78 -39.594 -3.425 -16.757 1.00 54.22 C ATOM 1306 CD1 ILE A 78 -36.815 -4.342 -17.399 1.00 22.01 C ATOM 0 H ILE A 78 -40.134 -6.422 -18.941 1.00 65.31 H new ATOM 0 HA ILE A 78 -41.249 -3.716 -18.766 1.00 1.43 H new ATOM 0 HB ILE A 78 -38.817 -2.885 -18.669 1.00 70.43 H new ATOM 0 HG12 ILE A 78 -38.400 -5.736 -17.701 1.00 15.21 H new ATOM 0 HG13 ILE A 78 -37.754 -5.050 -19.178 1.00 15.21 H new ATOM 0 HG21 ILE A 78 -38.734 -3.037 -16.212 1.00 54.22 H new ATOM 0 HG22 ILE A 78 -40.375 -2.665 -16.792 1.00 54.22 H new ATOM 0 HG23 ILE A 78 -39.974 -4.313 -16.251 1.00 54.22 H new ATOM 0 HD11 ILE A 78 -36.050 -5.118 -17.425 1.00 22.01 H new ATOM 0 HD12 ILE A 78 -36.428 -3.435 -17.864 1.00 22.01 H new ATOM 0 HD13 ILE A 78 -37.084 -4.133 -16.364 1.00 22.01 H new ATOM 1318 N PHE A 79 -40.145 -3.108 -21.039 1.00 64.21 N ATOM 1319 CA PHE A 79 -39.861 -2.932 -22.459 1.00 74.20 C ATOM 1320 C PHE A 79 -39.028 -1.676 -22.695 1.00 14.21 C ATOM 1321 O PHE A 79 -38.859 -0.852 -21.796 1.00 60.11 O ATOM 1322 CB PHE A 79 -41.167 -2.849 -23.253 1.00 42.54 C ATOM 1323 CG PHE A 79 -42.368 -2.547 -22.404 1.00 52.44 C ATOM 1324 CD1 PHE A 79 -43.014 -3.557 -21.710 1.00 3.55 C ATOM 1325 CD2 PHE A 79 -42.852 -1.252 -22.302 1.00 70.11 C ATOM 1326 CE1 PHE A 79 -44.119 -3.282 -20.927 1.00 43.53 C ATOM 1327 CE2 PHE A 79 -43.957 -0.971 -21.520 1.00 22.12 C ATOM 1328 CZ PHE A 79 -44.592 -1.987 -20.833 1.00 65.40 C ATOM 0 H PHE A 79 -40.412 -2.252 -20.553 1.00 64.21 H new ATOM 0 HA PHE A 79 -39.289 -3.795 -22.801 1.00 74.20 H new ATOM 0 HB2 PHE A 79 -41.069 -2.078 -24.017 1.00 42.54 H new ATOM 0 HB3 PHE A 79 -41.328 -3.794 -23.772 1.00 42.54 H new ATOM 0 HD1 PHE A 79 -42.650 -4.571 -21.782 1.00 3.55 H new ATOM 0 HD2 PHE A 79 -42.361 -0.454 -22.839 1.00 70.11 H new ATOM 0 HE1 PHE A 79 -44.612 -4.078 -20.389 1.00 43.53 H new ATOM 0 HE2 PHE A 79 -44.323 0.042 -21.446 1.00 22.12 H new ATOM 0 HZ PHE A 79 -45.457 -1.770 -20.223 1.00 65.40 H new ATOM 1338 N ILE A 80 -38.510 -1.537 -23.911 1.00 25.32 N ATOM 1339 CA ILE A 80 -37.694 -0.383 -24.266 1.00 15.04 C ATOM 1340 C ILE A 80 -38.471 0.587 -25.150 1.00 0.32 C ATOM 1341 O ILE A 80 -39.235 0.174 -26.022 1.00 11.13 O ATOM 1342 CB ILE A 80 -36.406 -0.806 -24.996 1.00 2.10 C ATOM 1343 CG1 ILE A 80 -35.740 -1.973 -24.265 1.00 63.41 C ATOM 1344 CG2 ILE A 80 -35.450 0.371 -25.109 1.00 5.03 C ATOM 1345 CD1 ILE A 80 -35.317 -1.638 -22.852 1.00 23.52 C ATOM 0 H ILE A 80 -38.641 -2.209 -24.667 1.00 25.32 H new ATOM 0 HA ILE A 80 -37.426 0.113 -23.333 1.00 15.04 H new ATOM 0 HB ILE A 80 -36.667 -1.134 -26.002 1.00 2.10 H new ATOM 0 HG12 ILE A 80 -36.430 -2.816 -24.239 1.00 63.41 H new ATOM 0 HG13 ILE A 80 -34.866 -2.294 -24.831 1.00 63.41 H new ATOM 0 HG21 ILE A 80 -34.544 0.056 -25.627 1.00 5.03 H new ATOM 0 HG22 ILE A 80 -35.927 1.175 -25.669 1.00 5.03 H new ATOM 0 HG23 ILE A 80 -35.192 0.727 -24.112 1.00 5.03 H new ATOM 0 HD11 ILE A 80 -34.852 -2.511 -22.395 1.00 23.52 H new ATOM 0 HD12 ILE A 80 -34.602 -0.815 -22.872 1.00 23.52 H new ATOM 0 HD13 ILE A 80 -36.191 -1.345 -22.270 1.00 23.52 H new ATOM 1357 N PHE A 81 -38.268 1.880 -24.920 1.00 3.32 N ATOM 1358 CA PHE A 81 -38.948 2.911 -25.696 1.00 32.51 C ATOM 1359 C PHE A 81 -37.947 3.733 -26.504 1.00 33.34 C ATOM 1360 O PHE A 81 -36.977 4.261 -25.958 1.00 75.35 O ATOM 1361 CB PHE A 81 -39.751 3.829 -24.772 1.00 74.40 C ATOM 1362 CG PHE A 81 -40.987 3.183 -24.214 1.00 70.42 C ATOM 1363 CD1 PHE A 81 -42.144 3.102 -24.971 1.00 73.25 C ATOM 1364 CD2 PHE A 81 -40.992 2.659 -22.931 1.00 61.31 C ATOM 1365 CE1 PHE A 81 -43.284 2.508 -24.461 1.00 0.14 C ATOM 1366 CE2 PHE A 81 -42.128 2.063 -22.416 1.00 3.42 C ATOM 1367 CZ PHE A 81 -43.276 1.989 -23.181 1.00 5.44 C ATOM 0 H PHE A 81 -37.638 2.239 -24.203 1.00 3.32 H new ATOM 0 HA PHE A 81 -39.630 2.418 -26.389 1.00 32.51 H new ATOM 0 HB2 PHE A 81 -39.114 4.149 -23.948 1.00 74.40 H new ATOM 0 HB3 PHE A 81 -40.036 4.726 -25.322 1.00 74.40 H new ATOM 0 HD1 PHE A 81 -42.156 3.508 -25.972 1.00 73.25 H new ATOM 0 HD2 PHE A 81 -40.099 2.717 -22.327 1.00 61.31 H new ATOM 0 HE1 PHE A 81 -44.179 2.450 -25.063 1.00 0.14 H new ATOM 0 HE2 PHE A 81 -42.118 1.655 -21.416 1.00 3.42 H new ATOM 0 HZ PHE A 81 -44.165 1.526 -22.779 1.00 5.44 H new ATOM 1377 N VAL A 82 -38.190 3.837 -27.807 1.00 32.05 N ATOM 1378 CA VAL A 82 -37.312 4.595 -28.690 1.00 25.52 C ATOM 1379 C VAL A 82 -38.087 5.666 -29.447 1.00 64.04 C ATOM 1380 O VAL A 82 -39.217 5.442 -29.878 1.00 10.12 O ATOM 1381 CB VAL A 82 -36.606 3.674 -29.703 1.00 31.14 C ATOM 1382 CG1 VAL A 82 -35.898 4.497 -30.769 1.00 31.42 C ATOM 1383 CG2 VAL A 82 -35.627 2.752 -28.992 1.00 63.23 C ATOM 0 H VAL A 82 -38.988 3.406 -28.274 1.00 32.05 H new ATOM 0 HA VAL A 82 -36.562 5.072 -28.059 1.00 25.52 H new ATOM 0 HB VAL A 82 -37.359 3.058 -30.194 1.00 31.14 H new ATOM 0 HG11 VAL A 82 -35.405 3.830 -31.476 1.00 31.42 H new ATOM 0 HG12 VAL A 82 -36.627 5.112 -31.298 1.00 31.42 H new ATOM 0 HG13 VAL A 82 -35.155 5.140 -30.298 1.00 31.42 H new ATOM 0 HG21 VAL A 82 -35.137 2.108 -29.723 1.00 63.23 H new ATOM 0 HG22 VAL A 82 -34.877 3.349 -28.473 1.00 63.23 H new ATOM 0 HG23 VAL A 82 -36.165 2.138 -28.270 1.00 63.23 H new ATOM 1393 N ASN A 83 -37.470 6.833 -29.607 1.00 73.25 N ATOM 1394 CA ASN A 83 -38.103 7.941 -30.313 1.00 41.24 C ATOM 1395 C ASN A 83 -39.523 8.171 -29.804 1.00 2.30 C ATOM 1396 O ASN A 83 -40.406 8.574 -30.560 1.00 55.25 O ATOM 1397 CB ASN A 83 -38.128 7.667 -31.819 1.00 21.40 C ATOM 1398 CG ASN A 83 -38.479 8.901 -32.626 1.00 3.22 C ATOM 1399 OD1 ASN A 83 -38.691 9.979 -32.072 1.00 1.53 O ATOM 1400 ND2 ASN A 83 -38.542 8.747 -33.944 1.00 32.14 N ATOM 0 H ASN A 83 -36.533 7.035 -29.258 1.00 73.25 H new ATOM 0 HA ASN A 83 -37.517 8.841 -30.123 1.00 41.24 H new ATOM 0 HB2 ASN A 83 -37.153 7.296 -32.134 1.00 21.40 H new ATOM 0 HB3 ASN A 83 -38.852 6.880 -32.030 1.00 21.40 H new ATOM 0 HD21 ASN A 83 -38.774 9.542 -34.540 1.00 32.14 H new ATOM 0 HD22 ASN A 83 -38.358 7.834 -34.360 1.00 32.14 H new ATOM 1407 N ASP A 84 -39.732 7.914 -28.518 1.00 51.20 N ATOM 1408 CA ASP A 84 -41.044 8.096 -27.907 1.00 1.13 C ATOM 1409 C ASP A 84 -42.066 7.145 -28.521 1.00 33.44 C ATOM 1410 O ASP A 84 -43.194 7.536 -28.820 1.00 72.20 O ATOM 1411 CB ASP A 84 -41.512 9.542 -28.072 1.00 10.22 C ATOM 1412 CG ASP A 84 -40.356 10.521 -28.137 1.00 42.54 C ATOM 1413 OD1 ASP A 84 -39.545 10.546 -27.188 1.00 4.04 O ATOM 1414 OD2 ASP A 84 -40.262 11.262 -29.137 1.00 73.31 O ATOM 0 H ASP A 84 -39.011 7.579 -27.879 1.00 51.20 H new ATOM 0 HA ASP A 84 -40.956 7.870 -26.844 1.00 1.13 H new ATOM 0 HB2 ASP A 84 -42.107 9.627 -28.981 1.00 10.22 H new ATOM 0 HB3 ASP A 84 -42.163 9.808 -27.239 1.00 10.22 H new ATOM 1419 N THR A 85 -41.663 5.891 -28.707 1.00 4.34 N ATOM 1420 CA THR A 85 -42.542 4.884 -29.287 1.00 32.41 C ATOM 1421 C THR A 85 -42.158 3.484 -28.821 1.00 25.34 C ATOM 1422 O THR A 85 -41.210 3.312 -28.053 1.00 11.31 O ATOM 1423 CB THR A 85 -42.509 4.928 -30.826 1.00 65.14 C ATOM 1424 OG1 THR A 85 -43.735 4.415 -31.358 1.00 44.53 O ATOM 1425 CG2 THR A 85 -41.339 4.118 -31.365 1.00 44.40 C ATOM 0 H THR A 85 -40.733 5.549 -28.464 1.00 4.34 H new ATOM 0 HA THR A 85 -43.552 5.113 -28.946 1.00 32.41 H new ATOM 0 HB THR A 85 -42.386 5.966 -31.135 1.00 65.14 H new ATOM 0 HG1 THR A 85 -43.706 4.448 -32.337 1.00 44.53 H new ATOM 0 HG21 THR A 85 -41.336 4.164 -32.454 1.00 44.40 H new ATOM 0 HG22 THR A 85 -40.405 4.529 -30.982 1.00 44.40 H new ATOM 0 HG23 THR A 85 -41.437 3.080 -31.046 1.00 44.40 H new ATOM 1433 N LEU A 86 -42.897 2.485 -29.291 1.00 10.13 N ATOM 1434 CA LEU A 86 -42.633 1.099 -28.923 1.00 12.24 C ATOM 1435 C LEU A 86 -42.940 0.160 -30.084 1.00 21.55 C ATOM 1436 O LEU A 86 -44.039 -0.384 -30.202 1.00 11.50 O ATOM 1437 CB LEU A 86 -43.465 0.707 -27.700 1.00 54.33 C ATOM 1438 CG LEU A 86 -42.998 -0.534 -26.939 1.00 53.13 C ATOM 1439 CD1 LEU A 86 -42.087 -0.142 -25.786 1.00 54.00 C ATOM 1440 CD2 LEU A 86 -44.192 -1.330 -26.433 1.00 5.21 C ATOM 0 H LEU A 86 -43.684 2.609 -29.928 1.00 10.13 H new ATOM 0 HA LEU A 86 -41.575 1.009 -28.678 1.00 12.24 H new ATOM 0 HB2 LEU A 86 -43.477 1.549 -27.008 1.00 54.33 H new ATOM 0 HB3 LEU A 86 -44.494 0.545 -28.022 1.00 54.33 H new ATOM 0 HG LEU A 86 -42.431 -1.165 -27.624 1.00 53.13 H new ATOM 0 HD11 LEU A 86 -41.765 -1.038 -25.256 1.00 54.00 H new ATOM 0 HD12 LEU A 86 -41.215 0.384 -26.174 1.00 54.00 H new ATOM 0 HD13 LEU A 86 -42.628 0.510 -25.100 1.00 54.00 H new ATOM 0 HD21 LEU A 86 -43.841 -2.210 -25.894 1.00 5.21 H new ATOM 0 HD22 LEU A 86 -44.787 -0.708 -25.764 1.00 5.21 H new ATOM 0 HD23 LEU A 86 -44.805 -1.643 -27.278 1.00 5.21 H new ATOM 1452 N PRO A 87 -41.947 -0.041 -30.963 1.00 4.05 N ATOM 1453 CA PRO A 87 -42.086 -0.918 -32.129 1.00 42.54 C ATOM 1454 C PRO A 87 -42.170 -2.390 -31.741 1.00 2.42 C ATOM 1455 O PRO A 87 -41.865 -2.778 -30.613 1.00 51.41 O ATOM 1456 CB PRO A 87 -40.809 -0.648 -32.930 1.00 51.30 C ATOM 1457 CG PRO A 87 -39.820 -0.179 -31.919 1.00 41.23 C ATOM 1458 CD PRO A 87 -40.610 0.573 -30.885 1.00 13.55 C ATOM 0 HA PRO A 87 -43.003 -0.718 -32.682 1.00 42.54 H new ATOM 0 HB2 PRO A 87 -40.461 -1.549 -33.436 1.00 51.30 H new ATOM 0 HB3 PRO A 87 -40.976 0.106 -33.700 1.00 51.30 H new ATOM 0 HG2 PRO A 87 -39.292 -1.020 -31.471 1.00 41.23 H new ATOM 0 HG3 PRO A 87 -39.067 0.462 -32.378 1.00 41.23 H new ATOM 0 HD2 PRO A 87 -40.176 0.465 -29.891 1.00 13.55 H new ATOM 0 HD3 PRO A 87 -40.645 1.640 -31.104 1.00 13.55 H new ATOM 1466 N PRO A 88 -42.593 -3.231 -32.696 1.00 72.10 N ATOM 1467 CA PRO A 88 -42.726 -4.674 -32.477 1.00 75.25 C ATOM 1468 C PRO A 88 -41.375 -5.365 -32.330 1.00 5.11 C ATOM 1469 O PRO A 88 -40.338 -4.809 -32.694 1.00 34.05 O ATOM 1470 CB PRO A 88 -43.441 -5.160 -33.741 1.00 65.12 C ATOM 1471 CG PRO A 88 -43.094 -4.153 -34.783 1.00 41.43 C ATOM 1472 CD PRO A 88 -42.973 -2.838 -34.063 1.00 61.25 C ATOM 0 HA PRO A 88 -43.262 -4.899 -31.555 1.00 75.25 H new ATOM 0 HB2 PRO A 88 -43.106 -6.157 -34.027 1.00 65.12 H new ATOM 0 HB3 PRO A 88 -44.519 -5.217 -33.589 1.00 65.12 H new ATOM 0 HG2 PRO A 88 -42.160 -4.413 -35.281 1.00 41.43 H new ATOM 0 HG3 PRO A 88 -43.864 -4.107 -35.553 1.00 41.43 H new ATOM 0 HD2 PRO A 88 -42.220 -2.197 -34.521 1.00 61.25 H new ATOM 0 HD3 PRO A 88 -43.912 -2.285 -34.076 1.00 61.25 H new ATOM 1480 N THR A 89 -41.393 -6.583 -31.794 1.00 41.54 N ATOM 1481 CA THR A 89 -40.169 -7.349 -31.599 1.00 31.12 C ATOM 1482 C THR A 89 -39.571 -7.779 -32.933 1.00 63.21 C ATOM 1483 O THR A 89 -38.426 -8.227 -32.995 1.00 20.23 O ATOM 1484 CB THR A 89 -40.422 -8.600 -30.735 1.00 51.45 C ATOM 1485 OG1 THR A 89 -41.124 -9.588 -31.498 1.00 15.12 O ATOM 1486 CG2 THR A 89 -41.225 -8.245 -29.493 1.00 65.42 C ATOM 0 H THR A 89 -42.242 -7.059 -31.488 1.00 41.54 H new ATOM 0 HA THR A 89 -39.465 -6.696 -31.083 1.00 31.12 H new ATOM 0 HB THR A 89 -39.458 -9.001 -30.423 1.00 51.45 H new ATOM 0 HG1 THR A 89 -41.280 -10.380 -30.943 1.00 15.12 H new ATOM 0 HG21 THR A 89 -41.392 -9.143 -28.898 1.00 65.42 H new ATOM 0 HG22 THR A 89 -40.675 -7.514 -28.900 1.00 65.42 H new ATOM 0 HG23 THR A 89 -42.185 -7.823 -29.789 1.00 65.42 H new ATOM 1494 N ALA A 90 -40.351 -7.639 -34.000 1.00 14.12 N ATOM 1495 CA ALA A 90 -39.896 -8.011 -35.333 1.00 53.44 C ATOM 1496 C ALA A 90 -38.991 -6.935 -35.924 1.00 3.00 C ATOM 1497 O ALA A 90 -38.267 -7.181 -36.888 1.00 41.54 O ATOM 1498 CB ALA A 90 -41.087 -8.261 -36.247 1.00 64.00 C ATOM 0 H ALA A 90 -41.301 -7.270 -33.966 1.00 14.12 H new ATOM 0 HA ALA A 90 -39.317 -8.931 -35.249 1.00 53.44 H new ATOM 0 HB1 ALA A 90 -40.732 -8.538 -37.240 1.00 64.00 H new ATOM 0 HB2 ALA A 90 -41.694 -9.069 -35.840 1.00 64.00 H new ATOM 0 HB3 ALA A 90 -41.689 -7.355 -36.317 1.00 64.00 H new ATOM 1504 N ALA A 91 -39.036 -5.743 -35.340 1.00 14.01 N ATOM 1505 CA ALA A 91 -38.219 -4.630 -35.808 1.00 34.45 C ATOM 1506 C ALA A 91 -36.816 -4.693 -35.215 1.00 42.01 C ATOM 1507 O ALA A 91 -36.648 -4.775 -33.998 1.00 43.44 O ATOM 1508 CB ALA A 91 -38.882 -3.305 -35.460 1.00 74.43 C ATOM 0 H ALA A 91 -39.630 -5.523 -34.541 1.00 14.01 H new ATOM 0 HA ALA A 91 -38.132 -4.706 -36.892 1.00 34.45 H new ATOM 0 HB1 ALA A 91 -38.261 -2.483 -35.815 1.00 74.43 H new ATOM 0 HB2 ALA A 91 -39.861 -3.252 -35.936 1.00 74.43 H new ATOM 0 HB3 ALA A 91 -39.000 -3.230 -34.379 1.00 74.43 H new ATOM 1514 N LEU A 92 -35.811 -4.654 -36.083 1.00 23.42 N ATOM 1515 CA LEU A 92 -34.420 -4.708 -35.646 1.00 13.11 C ATOM 1516 C LEU A 92 -33.935 -3.331 -35.203 1.00 63.24 C ATOM 1517 O LEU A 92 -34.365 -2.309 -35.739 1.00 61.24 O ATOM 1518 CB LEU A 92 -33.531 -5.237 -36.772 1.00 43.11 C ATOM 1519 CG LEU A 92 -32.496 -6.290 -36.372 1.00 72.33 C ATOM 1520 CD1 LEU A 92 -32.600 -7.511 -37.273 1.00 52.43 C ATOM 1521 CD2 LEU A 92 -31.092 -5.705 -36.424 1.00 43.41 C ATOM 0 H LEU A 92 -35.933 -4.585 -37.093 1.00 23.42 H new ATOM 0 HA LEU A 92 -34.358 -5.386 -34.795 1.00 13.11 H new ATOM 0 HB2 LEU A 92 -34.172 -5.662 -37.545 1.00 43.11 H new ATOM 0 HB3 LEU A 92 -33.007 -4.393 -37.221 1.00 43.11 H new ATOM 0 HG LEU A 92 -32.701 -6.601 -35.348 1.00 72.33 H new ATOM 0 HD11 LEU A 92 -31.856 -8.249 -36.973 1.00 52.43 H new ATOM 0 HD12 LEU A 92 -33.596 -7.944 -37.185 1.00 52.43 H new ATOM 0 HD13 LEU A 92 -32.422 -7.216 -38.307 1.00 52.43 H new ATOM 0 HD21 LEU A 92 -30.369 -6.468 -36.136 1.00 43.41 H new ATOM 0 HD22 LEU A 92 -30.877 -5.365 -37.437 1.00 43.41 H new ATOM 0 HD23 LEU A 92 -31.023 -4.862 -35.736 1.00 43.41 H new ATOM 1533 N MET A 93 -33.037 -3.312 -34.224 1.00 64.24 N ATOM 1534 CA MET A 93 -32.491 -2.060 -33.713 1.00 42.23 C ATOM 1535 C MET A 93 -31.738 -1.308 -34.807 1.00 25.10 C ATOM 1536 O MET A 93 -31.978 -0.124 -35.037 1.00 51.12 O ATOM 1537 CB MET A 93 -31.559 -2.331 -32.531 1.00 14.42 C ATOM 1538 CG MET A 93 -32.234 -3.061 -31.381 1.00 24.11 C ATOM 1539 SD MET A 93 -33.024 -1.937 -30.212 1.00 64.51 S ATOM 1540 CE MET A 93 -31.591 -1.186 -29.444 1.00 23.15 C ATOM 0 H MET A 93 -32.672 -4.149 -33.769 1.00 64.24 H new ATOM 0 HA MET A 93 -33.322 -1.440 -33.377 1.00 42.23 H new ATOM 0 HB2 MET A 93 -30.709 -2.920 -32.876 1.00 14.42 H new ATOM 0 HB3 MET A 93 -31.163 -1.383 -32.167 1.00 14.42 H new ATOM 0 HG2 MET A 93 -32.981 -3.748 -31.780 1.00 24.11 H new ATOM 0 HG3 MET A 93 -31.494 -3.665 -30.855 1.00 24.11 H new ATOM 0 HE1 MET A 93 -31.914 -0.517 -28.646 1.00 23.15 H new ATOM 0 HE2 MET A 93 -30.951 -1.964 -29.028 1.00 23.15 H new ATOM 0 HE3 MET A 93 -31.034 -0.619 -30.190 1.00 23.15 H new ATOM 1550 N SER A 94 -30.825 -2.006 -35.477 1.00 51.20 N ATOM 1551 CA SER A 94 -30.035 -1.403 -36.543 1.00 45.34 C ATOM 1552 C SER A 94 -30.936 -0.746 -37.584 1.00 62.55 C ATOM 1553 O SER A 94 -30.528 0.186 -38.277 1.00 32.02 O ATOM 1554 CB SER A 94 -29.151 -2.457 -37.211 1.00 25.32 C ATOM 1555 OG SER A 94 -28.574 -1.959 -38.405 1.00 44.45 O ATOM 0 H SER A 94 -30.615 -2.988 -35.300 1.00 51.20 H new ATOM 0 HA SER A 94 -29.401 -0.635 -36.100 1.00 45.34 H new ATOM 0 HB2 SER A 94 -28.363 -2.763 -36.523 1.00 25.32 H new ATOM 0 HB3 SER A 94 -29.743 -3.345 -37.433 1.00 25.32 H new ATOM 0 HG SER A 94 -28.013 -2.652 -38.811 1.00 44.45 H new ATOM 1561 N ALA A 95 -32.166 -1.240 -37.689 1.00 51.20 N ATOM 1562 CA ALA A 95 -33.127 -0.702 -38.643 1.00 43.01 C ATOM 1563 C ALA A 95 -33.903 0.465 -38.041 1.00 21.01 C ATOM 1564 O ALA A 95 -34.077 1.502 -38.680 1.00 53.23 O ATOM 1565 CB ALA A 95 -34.083 -1.793 -39.102 1.00 43.10 C ATOM 0 H ALA A 95 -32.520 -2.012 -37.124 1.00 51.20 H new ATOM 0 HA ALA A 95 -32.575 -0.331 -39.507 1.00 43.01 H new ATOM 0 HB1 ALA A 95 -34.795 -1.377 -39.814 1.00 43.10 H new ATOM 0 HB2 ALA A 95 -33.519 -2.594 -39.579 1.00 43.10 H new ATOM 0 HB3 ALA A 95 -34.621 -2.191 -38.242 1.00 43.10 H new ATOM 1571 N ILE A 96 -34.369 0.286 -36.809 1.00 42.10 N ATOM 1572 CA ILE A 96 -35.126 1.325 -36.121 1.00 42.04 C ATOM 1573 C ILE A 96 -34.248 2.533 -35.814 1.00 31.42 C ATOM 1574 O ILE A 96 -34.576 3.662 -36.181 1.00 61.44 O ATOM 1575 CB ILE A 96 -35.738 0.800 -34.809 1.00 24.11 C ATOM 1576 CG1 ILE A 96 -36.712 -0.343 -35.096 1.00 13.01 C ATOM 1577 CG2 ILE A 96 -36.438 1.927 -34.064 1.00 71.21 C ATOM 1578 CD1 ILE A 96 -38.020 0.115 -35.704 1.00 43.24 C ATOM 0 H ILE A 96 -34.236 -0.568 -36.267 1.00 42.10 H new ATOM 0 HA ILE A 96 -35.931 1.626 -36.792 1.00 42.04 H new ATOM 0 HB ILE A 96 -34.936 0.417 -34.178 1.00 24.11 H new ATOM 0 HG12 ILE A 96 -36.236 -1.054 -35.771 1.00 13.01 H new ATOM 0 HG13 ILE A 96 -36.919 -0.875 -34.167 1.00 13.01 H new ATOM 0 HG21 ILE A 96 -36.866 1.541 -33.139 1.00 71.21 H new ATOM 0 HG22 ILE A 96 -35.718 2.712 -33.831 1.00 71.21 H new ATOM 0 HG23 ILE A 96 -37.232 2.337 -34.688 1.00 71.21 H new ATOM 0 HD11 ILE A 96 -38.661 -0.749 -35.881 1.00 43.24 H new ATOM 0 HD12 ILE A 96 -38.518 0.803 -35.021 1.00 43.24 H new ATOM 0 HD13 ILE A 96 -37.824 0.621 -36.649 1.00 43.24 H new ATOM 1590 N TYR A 97 -33.131 2.289 -35.137 1.00 72.52 N ATOM 1591 CA TYR A 97 -32.206 3.356 -34.779 1.00 43.32 C ATOM 1592 C TYR A 97 -31.790 4.154 -36.012 1.00 64.10 C ATOM 1593 O TYR A 97 -31.510 5.349 -35.925 1.00 71.52 O ATOM 1594 CB TYR A 97 -30.969 2.778 -34.091 1.00 44.02 C ATOM 1595 CG TYR A 97 -29.673 3.103 -34.800 1.00 33.41 C ATOM 1596 CD1 TYR A 97 -29.263 2.373 -35.910 1.00 14.31 C ATOM 1597 CD2 TYR A 97 -28.859 4.139 -34.360 1.00 44.24 C ATOM 1598 CE1 TYR A 97 -28.081 2.667 -36.561 1.00 23.14 C ATOM 1599 CE2 TYR A 97 -27.675 4.440 -35.007 1.00 4.34 C ATOM 1600 CZ TYR A 97 -27.290 3.701 -36.105 1.00 51.45 C ATOM 1601 OH TYR A 97 -26.111 3.997 -36.750 1.00 20.21 O ATOM 0 H TYR A 97 -32.845 1.361 -34.825 1.00 72.52 H new ATOM 0 HA TYR A 97 -32.717 4.028 -34.089 1.00 43.32 H new ATOM 0 HB2 TYR A 97 -30.920 3.158 -33.071 1.00 44.02 H new ATOM 0 HB3 TYR A 97 -31.074 1.695 -34.023 1.00 44.02 H new ATOM 0 HD1 TYR A 97 -29.879 1.562 -36.269 1.00 14.31 H new ATOM 0 HD2 TYR A 97 -29.156 4.719 -33.499 1.00 44.24 H new ATOM 0 HE1 TYR A 97 -27.778 2.090 -37.422 1.00 23.14 H new ATOM 0 HE2 TYR A 97 -27.055 5.250 -34.654 1.00 4.34 H new ATOM 0 HH TYR A 97 -25.675 4.752 -36.304 1.00 20.21 H new ATOM 1611 N GLN A 98 -31.753 3.482 -37.158 1.00 55.22 N ATOM 1612 CA GLN A 98 -31.372 4.127 -38.409 1.00 43.50 C ATOM 1613 C GLN A 98 -32.099 5.457 -38.579 1.00 23.10 C ATOM 1614 O GLN A 98 -31.481 6.479 -38.874 1.00 42.24 O ATOM 1615 CB GLN A 98 -31.677 3.210 -39.594 1.00 22.42 C ATOM 1616 CG GLN A 98 -30.714 3.379 -40.758 1.00 42.10 C ATOM 1617 CD GLN A 98 -31.362 3.092 -42.098 1.00 70.11 C ATOM 1618 OE1 GLN A 98 -32.361 3.713 -42.463 1.00 43.23 O ATOM 1619 NE2 GLN A 98 -30.796 2.147 -42.840 1.00 22.23 N ATOM 0 H GLN A 98 -31.982 2.492 -37.246 1.00 55.22 H new ATOM 0 HA GLN A 98 -30.300 4.321 -38.376 1.00 43.50 H new ATOM 0 HB2 GLN A 98 -31.649 2.174 -39.257 1.00 22.42 H new ATOM 0 HB3 GLN A 98 -32.692 3.405 -39.942 1.00 22.42 H new ATOM 0 HG2 GLN A 98 -30.325 4.397 -40.758 1.00 42.10 H new ATOM 0 HG3 GLN A 98 -29.863 2.712 -40.620 1.00 42.10 H new ATOM 0 HE21 GLN A 98 -29.969 1.657 -42.498 1.00 22.23 H new ATOM 0 HE22 GLN A 98 -31.188 1.911 -43.751 1.00 22.23 H new ATOM 1628 N GLU A 99 -33.416 5.434 -38.392 1.00 25.01 N ATOM 1629 CA GLU A 99 -34.226 6.638 -38.527 1.00 41.44 C ATOM 1630 C GLU A 99 -34.636 7.174 -37.159 1.00 13.41 C ATOM 1631 O GLU A 99 -35.149 8.288 -37.043 1.00 70.21 O ATOM 1632 CB GLU A 99 -35.471 6.350 -39.368 1.00 11.42 C ATOM 1633 CG GLU A 99 -36.337 7.575 -39.614 1.00 42.32 C ATOM 1634 CD GLU A 99 -35.551 8.739 -40.187 1.00 32.31 C ATOM 1635 OE1 GLU A 99 -35.169 8.668 -41.375 1.00 1.23 O ATOM 1636 OE2 GLU A 99 -35.318 9.719 -39.449 1.00 61.23 O ATOM 0 H GLU A 99 -33.943 4.596 -38.147 1.00 25.01 H new ATOM 0 HA GLU A 99 -33.624 7.395 -39.029 1.00 41.44 H new ATOM 0 HB2 GLU A 99 -35.163 5.935 -40.328 1.00 11.42 H new ATOM 0 HB3 GLU A 99 -36.068 5.588 -38.868 1.00 11.42 H new ATOM 0 HG2 GLU A 99 -37.144 7.314 -40.299 1.00 42.32 H new ATOM 0 HG3 GLU A 99 -36.802 7.881 -38.677 1.00 42.32 H new ATOM 1643 N HIS A 100 -34.406 6.373 -36.123 1.00 33.12 N ATOM 1644 CA HIS A 100 -34.751 6.766 -34.761 1.00 72.00 C ATOM 1645 C HIS A 100 -33.519 7.256 -34.008 1.00 44.41 C ATOM 1646 O HIS A 100 -33.518 7.332 -32.779 1.00 23.14 O ATOM 1647 CB HIS A 100 -35.386 5.592 -34.015 1.00 2.32 C ATOM 1648 CG HIS A 100 -36.737 5.212 -34.536 1.00 74.13 C ATOM 1649 ND1 HIS A 100 -37.861 5.148 -33.740 1.00 32.44 N ATOM 1650 CD2 HIS A 100 -37.143 4.876 -35.783 1.00 62.24 C ATOM 1651 CE1 HIS A 100 -38.899 4.787 -34.473 1.00 64.35 C ATOM 1652 NE2 HIS A 100 -38.490 4.617 -35.718 1.00 22.05 N ATOM 0 H HIS A 100 -33.982 5.448 -36.201 1.00 33.12 H new ATOM 0 HA HIS A 100 -35.470 7.584 -34.816 1.00 72.00 H new ATOM 0 HB2 HIS A 100 -34.724 4.729 -34.082 1.00 2.32 H new ATOM 0 HB3 HIS A 100 -35.472 5.847 -32.959 1.00 2.32 H new ATOM 0 HD2 HIS A 100 -36.523 4.822 -36.665 1.00 62.24 H new ATOM 0 HE1 HIS A 100 -39.909 4.654 -34.116 1.00 64.35 H new ATOM 0 HE2 HIS A 100 -39.079 4.339 -36.503 1.00 22.05 H new ATOM 1660 N LYS A 101 -32.468 7.587 -34.753 1.00 71.10 N ATOM 1661 CA LYS A 101 -31.229 8.070 -34.156 1.00 63.14 C ATOM 1662 C LYS A 101 -31.217 9.594 -34.086 1.00 20.24 C ATOM 1663 O LYS A 101 -31.700 10.271 -34.993 1.00 64.42 O ATOM 1664 CB LYS A 101 -30.026 7.577 -34.962 1.00 45.13 C ATOM 1665 CG LYS A 101 -30.097 7.927 -36.439 1.00 61.53 C ATOM 1666 CD LYS A 101 -28.712 8.051 -37.051 1.00 31.42 C ATOM 1667 CE LYS A 101 -28.327 9.506 -37.269 1.00 12.43 C ATOM 1668 NZ LYS A 101 -29.279 10.201 -38.179 1.00 43.14 N ATOM 0 H LYS A 101 -32.451 7.529 -35.771 1.00 71.10 H new ATOM 0 HA LYS A 101 -31.166 7.677 -33.141 1.00 63.14 H new ATOM 0 HB2 LYS A 101 -29.117 8.004 -34.539 1.00 45.13 H new ATOM 0 HB3 LYS A 101 -29.948 6.495 -34.857 1.00 45.13 H new ATOM 0 HG2 LYS A 101 -30.662 7.160 -36.969 1.00 61.53 H new ATOM 0 HG3 LYS A 101 -30.637 8.865 -36.566 1.00 61.53 H new ATOM 0 HD2 LYS A 101 -27.981 7.574 -36.398 1.00 31.42 H new ATOM 0 HD3 LYS A 101 -28.685 7.520 -38.002 1.00 31.42 H new ATOM 0 HE2 LYS A 101 -28.299 10.022 -36.309 1.00 12.43 H new ATOM 0 HE3 LYS A 101 -27.322 9.557 -37.687 1.00 12.43 H new ATOM 0 HZ1 LYS A 101 -28.786 10.971 -38.675 1.00 43.14 H new ATOM 0 HZ2 LYS A 101 -29.651 9.524 -38.875 1.00 43.14 H new ATOM 0 HZ3 LYS A 101 -30.066 10.594 -37.624 1.00 43.14 H new ATOM 1682 N ASP A 102 -30.660 10.127 -33.004 1.00 63.12 N ATOM 1683 CA ASP A 102 -30.582 11.571 -32.816 1.00 60.13 C ATOM 1684 C ASP A 102 -29.956 12.244 -34.034 1.00 35.21 C ATOM 1685 O ASP A 102 -29.344 11.586 -34.875 1.00 72.32 O ATOM 1686 CB ASP A 102 -29.771 11.901 -31.563 1.00 1.32 C ATOM 1687 CG ASP A 102 -29.795 13.381 -31.231 1.00 61.45 C ATOM 1688 OD1 ASP A 102 -30.865 14.006 -31.383 1.00 1.14 O ATOM 1689 OD2 ASP A 102 -28.742 13.912 -30.819 1.00 73.02 O ATOM 0 H ASP A 102 -30.256 9.580 -32.244 1.00 63.12 H new ATOM 0 HA ASP A 102 -31.596 11.952 -32.693 1.00 60.13 H new ATOM 0 HB2 ASP A 102 -30.166 11.336 -30.719 1.00 1.32 H new ATOM 0 HB3 ASP A 102 -28.739 11.580 -31.707 1.00 1.32 H new ATOM 1694 N LYS A 103 -30.115 13.560 -34.123 1.00 54.40 N ATOM 1695 CA LYS A 103 -29.566 14.324 -35.237 1.00 31.13 C ATOM 1696 C LYS A 103 -28.042 14.324 -35.198 1.00 12.12 C ATOM 1697 O LYS A 103 -27.386 14.734 -36.156 1.00 72.32 O ATOM 1698 CB LYS A 103 -30.088 15.763 -35.202 1.00 75.40 C ATOM 1699 CG LYS A 103 -31.602 15.863 -35.289 1.00 2.45 C ATOM 1700 CD LYS A 103 -32.086 15.767 -36.725 1.00 44.21 C ATOM 1701 CE LYS A 103 -31.931 17.093 -37.455 1.00 73.32 C ATOM 1702 NZ LYS A 103 -32.878 18.121 -36.943 1.00 11.32 N ATOM 0 H LYS A 103 -30.620 14.120 -33.436 1.00 54.40 H new ATOM 0 HA LYS A 103 -29.888 13.850 -36.164 1.00 31.13 H new ATOM 0 HB2 LYS A 103 -29.753 16.240 -34.281 1.00 75.40 H new ATOM 0 HB3 LYS A 103 -29.647 16.321 -36.028 1.00 75.40 H new ATOM 0 HG2 LYS A 103 -32.055 15.067 -34.698 1.00 2.45 H new ATOM 0 HG3 LYS A 103 -31.930 16.808 -34.856 1.00 2.45 H new ATOM 0 HD2 LYS A 103 -31.524 14.994 -37.249 1.00 44.21 H new ATOM 0 HD3 LYS A 103 -33.133 15.463 -36.738 1.00 44.21 H new ATOM 0 HE2 LYS A 103 -30.908 17.453 -37.342 1.00 73.32 H new ATOM 0 HE3 LYS A 103 -32.100 16.943 -38.521 1.00 73.32 H new ATOM 0 HZ1 LYS A 103 -32.978 18.881 -37.645 1.00 11.32 H new ATOM 0 HZ2 LYS A 103 -33.806 17.684 -36.772 1.00 11.32 H new ATOM 0 HZ3 LYS A 103 -32.513 18.517 -36.053 1.00 11.32 H new ATOM 1716 N ASP A 104 -27.483 13.862 -34.084 1.00 72.05 N ATOM 1717 CA ASP A 104 -26.035 13.806 -33.922 1.00 51.34 C ATOM 1718 C ASP A 104 -25.535 12.367 -33.996 1.00 32.21 C ATOM 1719 O ASP A 104 -24.393 12.076 -33.642 1.00 44.34 O ATOM 1720 CB ASP A 104 -25.625 14.434 -32.589 1.00 54.21 C ATOM 1721 CG ASP A 104 -25.748 15.945 -32.599 1.00 22.33 C ATOM 1722 OD1 ASP A 104 -26.882 16.448 -32.743 1.00 31.42 O ATOM 1723 OD2 ASP A 104 -24.709 16.625 -32.463 1.00 41.21 O ATOM 0 H ASP A 104 -28.011 13.521 -33.280 1.00 72.05 H new ATOM 0 HA ASP A 104 -25.581 14.371 -34.736 1.00 51.34 H new ATOM 0 HB2 ASP A 104 -26.247 14.027 -31.792 1.00 54.21 H new ATOM 0 HB3 ASP A 104 -24.595 14.158 -32.362 1.00 54.21 H new ATOM 1728 N GLY A 105 -26.399 11.468 -34.456 1.00 74.30 N ATOM 1729 CA GLY A 105 -26.028 10.070 -34.566 1.00 64.31 C ATOM 1730 C GLY A 105 -26.347 9.284 -33.310 1.00 21.03 C ATOM 1731 O GLY A 105 -26.833 8.155 -33.381 1.00 63.30 O ATOM 0 H GLY A 105 -27.350 11.683 -34.755 1.00 74.30 H new ATOM 0 HA2 GLY A 105 -26.551 9.624 -35.412 1.00 64.31 H new ATOM 0 HA3 GLY A 105 -24.961 9.996 -34.776 1.00 64.31 H new ATOM 1735 N PHE A 106 -26.071 9.881 -32.155 1.00 33.33 N ATOM 1736 CA PHE A 106 -26.329 9.228 -30.877 1.00 13.55 C ATOM 1737 C PHE A 106 -27.739 8.645 -30.839 1.00 61.34 C ATOM 1738 O PHE A 106 -28.684 9.239 -31.359 1.00 21.03 O ATOM 1739 CB PHE A 106 -26.146 10.221 -29.728 1.00 30.24 C ATOM 1740 CG PHE A 106 -24.715 10.622 -29.505 1.00 13.43 C ATOM 1741 CD1 PHE A 106 -23.757 9.674 -29.186 1.00 11.12 C ATOM 1742 CD2 PHE A 106 -24.330 11.949 -29.613 1.00 64.11 C ATOM 1743 CE1 PHE A 106 -22.440 10.040 -28.981 1.00 21.23 C ATOM 1744 CE2 PHE A 106 -23.015 12.321 -29.409 1.00 44.04 C ATOM 1745 CZ PHE A 106 -22.069 11.365 -29.091 1.00 41.44 C ATOM 0 H PHE A 106 -25.669 10.815 -32.078 1.00 33.33 H new ATOM 0 HA PHE A 106 -25.614 8.413 -30.763 1.00 13.55 H new ATOM 0 HB2 PHE A 106 -26.738 11.113 -29.932 1.00 30.24 H new ATOM 0 HB3 PHE A 106 -26.539 9.781 -28.812 1.00 30.24 H new ATOM 0 HD1 PHE A 106 -24.042 8.636 -29.096 1.00 11.12 H new ATOM 0 HD2 PHE A 106 -25.066 12.700 -29.859 1.00 64.11 H new ATOM 0 HE1 PHE A 106 -21.702 9.290 -28.735 1.00 21.23 H new ATOM 0 HE2 PHE A 106 -22.727 13.358 -29.498 1.00 44.04 H new ATOM 0 HZ PHE A 106 -21.041 11.654 -28.929 1.00 41.44 H new ATOM 1755 N LEU A 107 -27.872 7.475 -30.222 1.00 1.22 N ATOM 1756 CA LEU A 107 -29.166 6.809 -30.116 1.00 45.43 C ATOM 1757 C LEU A 107 -29.715 6.910 -28.697 1.00 61.11 C ATOM 1758 O LEU A 107 -28.990 6.707 -27.723 1.00 3.23 O ATOM 1759 CB LEU A 107 -29.039 5.340 -30.523 1.00 4.22 C ATOM 1760 CG LEU A 107 -30.347 4.621 -30.858 1.00 43.30 C ATOM 1761 CD1 LEU A 107 -31.154 4.366 -29.595 1.00 73.23 C ATOM 1762 CD2 LEU A 107 -31.158 5.432 -31.858 1.00 73.52 C ATOM 0 H LEU A 107 -27.100 6.969 -29.788 1.00 1.22 H new ATOM 0 HA LEU A 107 -29.861 7.308 -30.791 1.00 45.43 H new ATOM 0 HB2 LEU A 107 -28.382 5.280 -31.391 1.00 4.22 H new ATOM 0 HB3 LEU A 107 -28.548 4.800 -29.713 1.00 4.22 H new ATOM 0 HG LEU A 107 -30.107 3.659 -31.310 1.00 43.30 H new ATOM 0 HD11 LEU A 107 -32.081 3.854 -29.853 1.00 73.23 H new ATOM 0 HD12 LEU A 107 -30.574 3.745 -28.912 1.00 73.23 H new ATOM 0 HD13 LEU A 107 -31.386 5.316 -29.114 1.00 73.23 H new ATOM 0 HD21 LEU A 107 -32.085 4.907 -32.086 1.00 73.52 H new ATOM 0 HD22 LEU A 107 -31.389 6.408 -31.432 1.00 73.52 H new ATOM 0 HD23 LEU A 107 -30.581 5.563 -32.773 1.00 73.52 H new ATOM 1774 N TYR A 108 -31.002 7.223 -28.587 1.00 23.31 N ATOM 1775 CA TYR A 108 -31.649 7.351 -27.288 1.00 33.13 C ATOM 1776 C TYR A 108 -32.605 6.189 -27.038 1.00 73.41 C ATOM 1777 O TYR A 108 -33.511 5.934 -27.832 1.00 32.40 O ATOM 1778 CB TYR A 108 -32.407 8.676 -27.200 1.00 3.50 C ATOM 1779 CG TYR A 108 -31.503 9.888 -27.162 1.00 51.24 C ATOM 1780 CD1 TYR A 108 -30.704 10.151 -26.057 1.00 22.54 C ATOM 1781 CD2 TYR A 108 -31.450 10.773 -28.234 1.00 13.14 C ATOM 1782 CE1 TYR A 108 -29.877 11.257 -26.018 1.00 51.00 C ATOM 1783 CE2 TYR A 108 -30.626 11.881 -28.204 1.00 21.04 C ATOM 1784 CZ TYR A 108 -29.841 12.118 -27.094 1.00 11.21 C ATOM 1785 OH TYR A 108 -29.020 13.222 -27.060 1.00 75.44 O ATOM 0 H TYR A 108 -31.617 7.393 -29.383 1.00 23.31 H new ATOM 0 HA TYR A 108 -30.874 7.332 -26.522 1.00 33.13 H new ATOM 0 HB2 TYR A 108 -33.077 8.759 -28.056 1.00 3.50 H new ATOM 0 HB3 TYR A 108 -33.031 8.670 -26.306 1.00 3.50 H new ATOM 0 HD1 TYR A 108 -30.730 9.478 -25.212 1.00 22.54 H new ATOM 0 HD2 TYR A 108 -32.063 10.591 -29.104 1.00 13.14 H new ATOM 0 HE1 TYR A 108 -29.263 11.446 -25.150 1.00 51.00 H new ATOM 0 HE2 TYR A 108 -30.596 12.558 -29.045 1.00 21.04 H new ATOM 0 HH TYR A 108 -29.112 13.724 -27.897 1.00 75.44 H new ATOM 1795 N VAL A 109 -32.397 5.486 -25.929 1.00 2.12 N ATOM 1796 CA VAL A 109 -33.240 4.351 -25.572 1.00 52.14 C ATOM 1797 C VAL A 109 -33.626 4.396 -24.098 1.00 22.24 C ATOM 1798 O VAL A 109 -32.784 4.629 -23.230 1.00 45.24 O ATOM 1799 CB VAL A 109 -32.536 3.014 -25.868 1.00 42.11 C ATOM 1800 CG1 VAL A 109 -32.630 2.676 -27.348 1.00 32.20 C ATOM 1801 CG2 VAL A 109 -31.085 3.065 -25.416 1.00 42.31 C ATOM 0 H VAL A 109 -31.651 5.683 -25.262 1.00 2.12 H new ATOM 0 HA VAL A 109 -34.141 4.421 -26.182 1.00 52.14 H new ATOM 0 HB VAL A 109 -33.040 2.227 -25.308 1.00 42.11 H new ATOM 0 HG11 VAL A 109 -32.127 1.728 -27.537 1.00 32.20 H new ATOM 0 HG12 VAL A 109 -33.678 2.595 -27.637 1.00 32.20 H new ATOM 0 HG13 VAL A 109 -32.153 3.463 -27.932 1.00 32.20 H new ATOM 0 HG21 VAL A 109 -30.603 2.112 -25.633 1.00 42.31 H new ATOM 0 HG22 VAL A 109 -30.566 3.863 -25.947 1.00 42.31 H new ATOM 0 HG23 VAL A 109 -31.044 3.257 -24.344 1.00 42.31 H new ATOM 1811 N THR A 110 -34.905 4.168 -23.820 1.00 75.32 N ATOM 1812 CA THR A 110 -35.405 4.181 -22.450 1.00 44.43 C ATOM 1813 C THR A 110 -36.015 2.837 -22.074 1.00 42.12 C ATOM 1814 O THR A 110 -36.388 2.048 -22.943 1.00 14.21 O ATOM 1815 CB THR A 110 -36.459 5.286 -22.248 1.00 2.22 C ATOM 1816 OG1 THR A 110 -36.261 6.334 -23.204 1.00 73.33 O ATOM 1817 CG2 THR A 110 -36.382 5.857 -20.840 1.00 4.12 C ATOM 0 H THR A 110 -35.615 3.972 -24.526 1.00 75.32 H new ATOM 0 HA THR A 110 -34.551 4.381 -21.804 1.00 44.43 H new ATOM 0 HB THR A 110 -37.446 4.846 -22.391 1.00 2.22 H new ATOM 0 HG1 THR A 110 -36.936 7.031 -23.070 1.00 73.33 H new ATOM 0 HG21 THR A 110 -37.136 6.635 -20.721 1.00 4.12 H new ATOM 0 HG22 THR A 110 -36.563 5.063 -20.115 1.00 4.12 H new ATOM 0 HG23 THR A 110 -35.392 6.282 -20.673 1.00 4.12 H new ATOM 1825 N TYR A 111 -36.114 2.581 -20.774 1.00 20.10 N ATOM 1826 CA TYR A 111 -36.678 1.330 -20.283 1.00 32.43 C ATOM 1827 C TYR A 111 -37.639 1.582 -19.126 1.00 21.15 C ATOM 1828 O TYR A 111 -37.351 2.372 -18.226 1.00 51.13 O ATOM 1829 CB TYR A 111 -35.563 0.383 -19.836 1.00 71.52 C ATOM 1830 CG TYR A 111 -34.991 0.719 -18.478 1.00 1.53 C ATOM 1831 CD1 TYR A 111 -33.981 1.664 -18.342 1.00 53.21 C ATOM 1832 CD2 TYR A 111 -35.460 0.092 -17.330 1.00 71.14 C ATOM 1833 CE1 TYR A 111 -33.456 1.974 -17.103 1.00 22.33 C ATOM 1834 CE2 TYR A 111 -34.941 0.397 -16.087 1.00 32.24 C ATOM 1835 CZ TYR A 111 -33.939 1.338 -15.979 1.00 21.15 C ATOM 1836 OH TYR A 111 -33.418 1.645 -14.742 1.00 73.50 O ATOM 0 H TYR A 111 -35.811 3.223 -20.042 1.00 20.10 H new ATOM 0 HA TYR A 111 -37.233 0.868 -21.099 1.00 32.43 H new ATOM 0 HB2 TYR A 111 -35.950 -0.636 -19.816 1.00 71.52 H new ATOM 0 HB3 TYR A 111 -34.761 0.405 -20.574 1.00 71.52 H new ATOM 0 HD1 TYR A 111 -33.600 2.164 -19.220 1.00 53.21 H new ATOM 0 HD2 TYR A 111 -36.244 -0.647 -17.411 1.00 71.14 H new ATOM 0 HE1 TYR A 111 -32.671 2.711 -17.015 1.00 22.33 H new ATOM 0 HE2 TYR A 111 -35.318 -0.099 -15.205 1.00 32.24 H new ATOM 0 HH TYR A 111 -33.951 1.208 -14.045 1.00 73.50 H new ATOM 1846 N SER A 112 -38.783 0.905 -19.155 1.00 22.05 N ATOM 1847 CA SER A 112 -39.789 1.058 -18.110 1.00 63.12 C ATOM 1848 C SER A 112 -40.685 -0.175 -18.035 1.00 5.14 C ATOM 1849 O SER A 112 -40.794 -0.936 -18.995 1.00 15.30 O ATOM 1850 CB SER A 112 -40.638 2.304 -18.369 1.00 3.33 C ATOM 1851 OG SER A 112 -40.960 2.961 -17.156 1.00 11.33 O ATOM 0 H SER A 112 -39.036 0.245 -19.891 1.00 22.05 H new ATOM 0 HA SER A 112 -39.273 1.170 -17.156 1.00 63.12 H new ATOM 0 HB2 SER A 112 -40.097 2.987 -19.024 1.00 3.33 H new ATOM 0 HB3 SER A 112 -41.554 2.023 -18.888 1.00 3.33 H new ATOM 0 HG SER A 112 -41.501 3.755 -17.348 1.00 11.33 H new ATOM 1857 N GLY A 113 -41.324 -0.365 -16.884 1.00 64.14 N ATOM 1858 CA GLY A 113 -42.201 -1.507 -16.704 1.00 14.31 C ATOM 1859 C GLY A 113 -43.643 -1.190 -17.052 1.00 1.41 C ATOM 1860 O GLY A 113 -44.558 -1.892 -16.625 1.00 35.40 O ATOM 0 H GLY A 113 -41.250 0.251 -16.074 1.00 64.14 H new ATOM 0 HA2 GLY A 113 -41.853 -2.331 -17.327 1.00 14.31 H new ATOM 0 HA3 GLY A 113 -42.146 -1.844 -15.669 1.00 14.31 H new ATOM 1864 N GLU A 114 -43.844 -0.129 -17.826 1.00 41.55 N ATOM 1865 CA GLU A 114 -45.185 0.280 -18.228 1.00 64.40 C ATOM 1866 C GLU A 114 -45.129 1.235 -19.417 1.00 63.34 C ATOM 1867 O GLU A 114 -44.081 1.802 -19.722 1.00 43.14 O ATOM 1868 CB GLU A 114 -45.910 0.947 -17.058 1.00 75.44 C ATOM 1869 CG GLU A 114 -45.027 1.879 -16.246 1.00 34.34 C ATOM 1870 CD GLU A 114 -45.770 2.527 -15.093 1.00 4.21 C ATOM 1871 OE1 GLU A 114 -46.807 1.975 -14.670 1.00 32.24 O ATOM 1872 OE2 GLU A 114 -45.314 3.587 -14.615 1.00 22.33 O ATOM 0 H GLU A 114 -43.096 0.463 -18.187 1.00 41.55 H new ATOM 0 HA GLU A 114 -45.735 -0.612 -18.527 1.00 64.40 H new ATOM 0 HB2 GLU A 114 -46.761 1.510 -17.442 1.00 75.44 H new ATOM 0 HB3 GLU A 114 -46.309 0.174 -16.401 1.00 75.44 H new ATOM 0 HG2 GLU A 114 -44.176 1.320 -15.857 1.00 34.34 H new ATOM 0 HG3 GLU A 114 -44.627 2.655 -16.898 1.00 34.34 H new ATOM 1879 N ASN A 115 -46.264 1.406 -20.085 1.00 72.45 N ATOM 1880 CA ASN A 115 -46.346 2.291 -21.242 1.00 61.32 C ATOM 1881 C ASN A 115 -47.253 3.483 -20.952 1.00 25.21 C ATOM 1882 O ASN A 115 -47.195 4.504 -21.640 1.00 20.51 O ATOM 1883 CB ASN A 115 -46.865 1.526 -22.461 1.00 33.42 C ATOM 1884 CG ASN A 115 -47.352 2.449 -23.560 1.00 13.10 C ATOM 1885 OD1 ASN A 115 -48.503 2.369 -23.990 1.00 3.23 O ATOM 1886 ND2 ASN A 115 -46.475 3.334 -24.019 1.00 62.04 N ATOM 0 H ASN A 115 -47.141 0.943 -19.845 1.00 72.45 H new ATOM 0 HA ASN A 115 -45.344 2.663 -21.455 1.00 61.32 H new ATOM 0 HB2 ASN A 115 -46.071 0.889 -22.851 1.00 33.42 H new ATOM 0 HB3 ASN A 115 -47.679 0.870 -22.155 1.00 33.42 H new ATOM 0 HD21 ASN A 115 -46.745 3.983 -24.758 1.00 62.04 H new ATOM 0 HD22 ASN A 115 -45.531 3.364 -23.633 1.00 62.04 H new ATOM 1893 N THR A 116 -48.090 3.348 -19.928 1.00 21.23 N ATOM 1894 CA THR A 116 -49.009 4.412 -19.547 1.00 11.53 C ATOM 1895 C THR A 116 -49.176 4.480 -18.033 1.00 10.00 C ATOM 1896 O THR A 116 -48.617 3.663 -17.301 1.00 3.23 O ATOM 1897 CB THR A 116 -50.392 4.220 -20.197 1.00 10.24 C ATOM 1898 OG1 THR A 116 -50.691 2.824 -20.308 1.00 24.31 O ATOM 1899 CG2 THR A 116 -50.438 4.866 -21.573 1.00 21.51 C ATOM 0 H THR A 116 -48.150 2.511 -19.348 1.00 21.23 H new ATOM 0 HA THR A 116 -48.575 5.346 -19.904 1.00 11.53 H new ATOM 0 HB THR A 116 -51.137 4.701 -19.563 1.00 10.24 H new ATOM 0 HG1 THR A 116 -51.573 2.710 -20.721 1.00 24.31 H new ATOM 0 HG21 THR A 116 -51.425 4.717 -22.012 1.00 21.51 H new ATOM 0 HG22 THR A 116 -50.239 5.934 -21.480 1.00 21.51 H new ATOM 0 HG23 THR A 116 -49.683 4.411 -22.214 1.00 21.51 H new