USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 586 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 63 THR OG1 : rot 180:sc= 0.445 USER MOD Set 1.2: A 66 THR OG1 : rot 88:sc= 0.483 USER MOD Set 2.1: A 58 THR OG1 : rot -68:sc= 0.644 USER MOD Set 2.2: A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 56 GLN : amide:sc= 1 K(o=2.2,f=0.23) USER MOD Set 3.2: A 97 SER OG : rot 107:sc= 1.2 USER MOD Set 4.1: A 55 TYR OH : rot 51:sc= 1.17 USER MOD Set 4.2: A 75 SER OG : rot 78:sc= 2.08 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -138:sc= -1.32 (180deg=-2.14!) USER MOD Single : A 76 ASN : amide:sc= -0.122 K(o=-0.12,f=-1.1) USER MOD Single : A 77 MET CE :methyl -116:sc= -0.814 (180deg=-2.25!) USER MOD Single : A 78 GLN : amide:sc= -0.335 X(o=-0.33,f=-0.12) USER MOD Single : A 80 SER OG : rot 150:sc= -1.6! USER MOD Single : A 81 TYR OH : rot -147:sc= -3.13! USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= -0.159 USER MOD Single : A 87 TYR OH : rot 180:sc= -0.0664 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.0717 USER MOD Single : A 94 SER OG : rot 180:sc= 0.0702 USER MOD Single : A 98 THR OG1 : rot 180:sc=0.000873 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.0612 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 103 GLN : amide:sc= -0.65 K(o=-0.65,f=-4.8!) USER MOD Single : A 106 THR OG1 : rot 85:sc= 1.23 USER MOD Single : A 109 SER OG : rot -91:sc= 1.32 USER MOD Single : A 112 TYR OH : rot 180:sc= -0.16 USER MOD Single : A 115 GLN : amide:sc= -0.218 K(o=-0.22,f=-2.6!) USER MOD Single : A 118 SER OG : rot -160:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= -0.24 USER MOD Single : A 122 SER OG : rot 180:sc= -0.0321 USER MOD Single : A 124 ASN : amide:sc= -1.5 K(o=-1.5,f=-3.9!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 GLN : amide:sc= -0.0132 K(o=-0.013,f=-1) USER MOD ----------------------------------------------------------------- ATOM 510 N TYR A 53 0.503 -11.523 -1.274 1.00 10.00 N ATOM 511 CA TYR A 53 0.275 -10.280 -1.994 1.00 10.00 C ATOM 512 C TYR A 53 1.568 -9.852 -2.683 1.00 10.00 C ATOM 513 O TYR A 53 2.606 -9.709 -2.036 1.00 10.00 O ATOM 514 CB TYR A 53 -0.222 -9.187 -1.040 1.00 10.00 C ATOM 515 CG TYR A 53 -0.329 -7.815 -1.671 1.00 10.00 C ATOM 516 CD1 TYR A 53 -1.065 -7.614 -2.834 1.00 10.00 C ATOM 517 CD2 TYR A 53 0.311 -6.720 -1.104 1.00 10.00 C ATOM 518 CE1 TYR A 53 -1.157 -6.362 -3.411 1.00 10.00 C ATOM 519 CE2 TYR A 53 0.225 -5.466 -1.681 1.00 10.00 C ATOM 520 CZ TYR A 53 -0.508 -5.293 -2.831 1.00 10.00 C ATOM 521 OH TYR A 53 -0.584 -4.046 -3.409 1.00 10.00 O ATOM 0 HA TYR A 53 -0.496 -10.437 -2.749 1.00 10.00 H new ATOM 0 HB2 TYR A 53 -1.200 -9.474 -0.654 1.00 10.00 H new ATOM 0 HB3 TYR A 53 0.454 -9.130 -0.186 1.00 10.00 H new ATOM 0 HD1 TYR A 53 -1.572 -8.450 -3.293 1.00 10.00 H new ATOM 0 HD2 TYR A 53 0.885 -6.850 -0.198 1.00 10.00 H new ATOM 0 HE1 TYR A 53 -1.735 -6.221 -4.313 1.00 10.00 H new ATOM 0 HE2 TYR A 53 0.732 -4.626 -1.230 1.00 10.00 H new ATOM 0 HH TYR A 53 -0.071 -3.405 -2.873 1.00 10.00 H new ATOM 531 N THR A 54 1.507 -9.670 -3.994 1.00 10.00 N ATOM 532 CA THR A 54 2.676 -9.274 -4.763 1.00 10.00 C ATOM 533 C THR A 54 2.930 -7.776 -4.640 1.00 10.00 C ATOM 534 O THR A 54 2.077 -6.961 -4.987 1.00 10.00 O ATOM 535 CB THR A 54 2.517 -9.630 -6.254 1.00 10.00 C ATOM 536 OG1 THR A 54 1.868 -10.902 -6.400 1.00 10.00 O ATOM 537 CG2 THR A 54 3.872 -9.675 -6.948 1.00 10.00 C ATOM 0 H THR A 54 0.659 -9.791 -4.547 1.00 10.00 H new ATOM 0 HA THR A 54 3.524 -9.823 -4.353 1.00 10.00 H new ATOM 0 HB THR A 54 1.906 -8.856 -6.718 1.00 10.00 H new ATOM 0 HG1 THR A 54 1.773 -11.113 -7.352 1.00 10.00 H new ATOM 0 HG21 THR A 54 3.734 -9.928 -7.999 1.00 10.00 H new ATOM 0 HG22 THR A 54 4.353 -8.700 -6.870 1.00 10.00 H new ATOM 0 HG23 THR A 54 4.499 -10.429 -6.473 1.00 10.00 H new ATOM 545 N TYR A 55 4.103 -7.427 -4.148 1.00 10.00 N ATOM 546 CA TYR A 55 4.484 -6.038 -3.990 1.00 10.00 C ATOM 547 C TYR A 55 5.195 -5.557 -5.246 1.00 10.00 C ATOM 548 O TYR A 55 6.298 -6.010 -5.557 1.00 10.00 O ATOM 549 CB TYR A 55 5.401 -5.869 -2.778 1.00 10.00 C ATOM 550 CG TYR A 55 4.783 -6.315 -1.474 1.00 10.00 C ATOM 551 CD1 TYR A 55 3.947 -5.469 -0.758 1.00 10.00 C ATOM 552 CD2 TYR A 55 5.031 -7.581 -0.962 1.00 10.00 C ATOM 553 CE1 TYR A 55 3.380 -5.868 0.433 1.00 10.00 C ATOM 554 CE2 TYR A 55 4.466 -7.988 0.231 1.00 10.00 C ATOM 555 CZ TYR A 55 3.640 -7.131 0.921 1.00 10.00 C ATOM 556 OH TYR A 55 3.075 -7.532 2.107 1.00 10.00 O ATOM 0 H TYR A 55 4.814 -8.094 -3.848 1.00 10.00 H new ATOM 0 HA TYR A 55 3.585 -5.443 -3.831 1.00 10.00 H new ATOM 0 HB2 TYR A 55 6.317 -6.435 -2.947 1.00 10.00 H new ATOM 0 HB3 TYR A 55 5.685 -4.820 -2.694 1.00 10.00 H new ATOM 0 HD1 TYR A 55 3.737 -4.481 -1.141 1.00 10.00 H new ATOM 0 HD2 TYR A 55 5.675 -8.258 -1.504 1.00 10.00 H new ATOM 0 HE1 TYR A 55 2.736 -5.196 0.981 1.00 10.00 H new ATOM 0 HE2 TYR A 55 4.672 -8.974 0.620 1.00 10.00 H new ATOM 0 HH TYR A 55 2.110 -7.365 2.083 1.00 10.00 H new ATOM 566 N GLN A 56 4.550 -4.663 -5.975 1.00 10.00 N ATOM 567 CA GLN A 56 5.121 -4.130 -7.205 1.00 10.00 C ATOM 568 C GLN A 56 4.719 -2.677 -7.403 1.00 10.00 C ATOM 569 O GLN A 56 3.633 -2.262 -6.993 1.00 10.00 O ATOM 570 CB GLN A 56 4.678 -4.965 -8.409 1.00 10.00 C ATOM 571 CG GLN A 56 3.183 -5.228 -8.461 1.00 10.00 C ATOM 572 CD GLN A 56 2.790 -6.070 -9.656 1.00 10.00 C ATOM 573 OE1 GLN A 56 3.586 -6.860 -10.162 1.00 10.00 O ATOM 574 NE2 GLN A 56 1.562 -5.905 -10.114 1.00 10.00 N ATOM 0 H GLN A 56 3.631 -4.289 -5.739 1.00 10.00 H new ATOM 0 HA GLN A 56 6.207 -4.181 -7.122 1.00 10.00 H new ATOM 0 HB2 GLN A 56 4.979 -4.454 -9.323 1.00 10.00 H new ATOM 0 HB3 GLN A 56 5.204 -5.919 -8.390 1.00 10.00 H new ATOM 0 HG2 GLN A 56 2.873 -5.732 -7.546 1.00 10.00 H new ATOM 0 HG3 GLN A 56 2.650 -4.278 -8.498 1.00 10.00 H new ATOM 0 HE21 GLN A 56 0.935 -5.239 -9.663 1.00 10.00 H new ATOM 0 HE22 GLN A 56 1.241 -6.444 -10.918 1.00 10.00 H new ATOM 583 N ALA A 57 5.602 -1.909 -8.018 1.00 10.00 N ATOM 584 CA ALA A 57 5.340 -0.502 -8.277 1.00 10.00 C ATOM 585 C ALA A 57 4.487 -0.344 -9.524 1.00 10.00 C ATOM 586 O ALA A 57 4.917 -0.682 -10.631 1.00 10.00 O ATOM 587 CB ALA A 57 6.643 0.261 -8.430 1.00 10.00 C ATOM 0 H ALA A 57 6.510 -2.237 -8.349 1.00 10.00 H new ATOM 0 HA ALA A 57 4.795 -0.090 -7.428 1.00 10.00 H new ATOM 0 HB1 ALA A 57 6.429 1.312 -8.623 1.00 10.00 H new ATOM 0 HB2 ALA A 57 7.226 0.172 -7.514 1.00 10.00 H new ATOM 0 HB3 ALA A 57 7.211 -0.153 -9.263 1.00 10.00 H new ATOM 593 N THR A 58 3.281 0.164 -9.346 1.00 10.00 N ATOM 594 CA THR A 58 2.373 0.366 -10.459 1.00 10.00 C ATOM 595 C THR A 58 2.459 1.807 -10.942 1.00 10.00 C ATOM 596 O THR A 58 2.790 2.708 -10.169 1.00 10.00 O ATOM 597 CB THR A 58 0.913 0.044 -10.071 1.00 10.00 C ATOM 598 OG1 THR A 58 0.459 0.942 -9.052 1.00 10.00 O ATOM 599 CG2 THR A 58 0.775 -1.386 -9.576 1.00 10.00 C ATOM 0 H THR A 58 2.908 0.445 -8.439 1.00 10.00 H new ATOM 0 HA THR A 58 2.672 -0.315 -11.256 1.00 10.00 H new ATOM 0 HB THR A 58 0.302 0.164 -10.965 1.00 10.00 H new ATOM 0 HG1 THR A 58 0.944 0.764 -8.219 1.00 10.00 H new ATOM 0 HG21 THR A 58 -0.264 -1.581 -9.311 1.00 10.00 H new ATOM 0 HG22 THR A 58 1.084 -2.075 -10.362 1.00 10.00 H new ATOM 0 HG23 THR A 58 1.406 -1.530 -8.699 1.00 10.00 H new ATOM 607 N PRO A 59 2.175 2.049 -12.228 1.00 10.00 N ATOM 608 CA PRO A 59 2.217 3.399 -12.797 1.00 10.00 C ATOM 609 C PRO A 59 1.193 4.327 -12.147 1.00 10.00 C ATOM 610 O PRO A 59 1.318 5.549 -12.218 1.00 10.00 O ATOM 611 CB PRO A 59 1.886 3.180 -14.275 1.00 10.00 C ATOM 612 CG PRO A 59 1.195 1.864 -14.328 1.00 10.00 C ATOM 613 CD PRO A 59 1.812 1.040 -13.236 1.00 10.00 C ATOM 0 HA PRO A 59 3.182 3.880 -12.637 1.00 10.00 H new ATOM 0 HB2 PRO A 59 1.247 3.976 -14.658 1.00 10.00 H new ATOM 0 HB3 PRO A 59 2.790 3.175 -14.885 1.00 10.00 H new ATOM 0 HG2 PRO A 59 0.122 1.978 -14.174 1.00 10.00 H new ATOM 0 HG3 PRO A 59 1.329 1.390 -15.300 1.00 10.00 H new ATOM 0 HD2 PRO A 59 1.111 0.306 -12.839 1.00 10.00 H new ATOM 0 HD3 PRO A 59 2.684 0.490 -13.589 1.00 10.00 H new ATOM 621 N MET A 60 0.203 3.735 -11.486 1.00 10.00 N ATOM 622 CA MET A 60 -0.846 4.501 -10.826 1.00 10.00 C ATOM 623 C MET A 60 -0.470 4.839 -9.382 1.00 10.00 C ATOM 624 O MET A 60 -1.266 5.421 -8.647 1.00 10.00 O ATOM 625 CB MET A 60 -2.175 3.738 -10.866 1.00 10.00 C ATOM 626 CG MET A 60 -2.214 2.499 -9.990 1.00 10.00 C ATOM 627 SD MET A 60 -3.842 1.726 -9.973 1.00 10.00 S ATOM 628 CE MET A 60 -3.419 0.064 -9.460 1.00 10.00 C ATOM 0 H MET A 60 0.106 2.724 -11.394 1.00 10.00 H new ATOM 0 HA MET A 60 -0.961 5.439 -11.369 1.00 10.00 H new ATOM 0 HB2 MET A 60 -2.975 4.411 -10.558 1.00 10.00 H new ATOM 0 HB3 MET A 60 -2.382 3.447 -11.896 1.00 10.00 H new ATOM 0 HG2 MET A 60 -1.477 1.780 -10.347 1.00 10.00 H new ATOM 0 HG3 MET A 60 -1.931 2.767 -8.972 1.00 10.00 H new ATOM 0 HE1 MET A 60 -4.324 -0.540 -9.402 1.00 10.00 H new ATOM 0 HE2 MET A 60 -2.734 -0.377 -10.184 1.00 10.00 H new ATOM 0 HE3 MET A 60 -2.941 0.096 -8.481 1.00 10.00 H new ATOM 638 N ASP A 61 0.735 4.457 -8.969 1.00 10.00 N ATOM 639 CA ASP A 61 1.198 4.752 -7.614 1.00 10.00 C ATOM 640 C ASP A 61 1.734 6.171 -7.551 1.00 10.00 C ATOM 641 O ASP A 61 1.337 6.967 -6.699 1.00 10.00 O ATOM 642 CB ASP A 61 2.268 3.758 -7.156 1.00 10.00 C ATOM 643 CG ASP A 61 1.665 2.448 -6.699 1.00 10.00 C ATOM 644 OD1 ASP A 61 0.672 2.480 -5.943 1.00 10.00 O ATOM 645 OD2 ASP A 61 2.159 1.378 -7.119 1.00 10.00 O ATOM 0 H ASP A 61 1.404 3.947 -9.546 1.00 10.00 H new ATOM 0 HA ASP A 61 0.349 4.656 -6.937 1.00 10.00 H new ATOM 0 HB2 ASP A 61 2.964 3.571 -7.974 1.00 10.00 H new ATOM 0 HB3 ASP A 61 2.845 4.196 -6.341 1.00 10.00 H new ATOM 650 N GLY A 62 2.641 6.478 -8.461 1.00 10.00 N ATOM 651 CA GLY A 62 3.206 7.807 -8.536 1.00 10.00 C ATOM 652 C GLY A 62 4.436 7.994 -7.676 1.00 10.00 C ATOM 653 O GLY A 62 5.542 8.169 -8.193 1.00 10.00 O ATOM 0 H GLY A 62 3.000 5.824 -9.156 1.00 10.00 H new ATOM 0 HA2 GLY A 62 3.462 8.026 -9.573 1.00 10.00 H new ATOM 0 HA3 GLY A 62 2.449 8.531 -8.235 1.00 10.00 H new ATOM 657 N THR A 63 4.260 7.943 -6.365 1.00 10.00 N ATOM 658 CA THR A 63 5.375 8.152 -5.456 1.00 10.00 C ATOM 659 C THR A 63 5.595 6.975 -4.518 1.00 10.00 C ATOM 660 O THR A 63 4.741 6.100 -4.377 1.00 10.00 O ATOM 661 CB THR A 63 5.180 9.431 -4.616 1.00 10.00 C ATOM 662 OG1 THR A 63 4.150 9.232 -3.638 1.00 10.00 O ATOM 663 CG2 THR A 63 4.809 10.607 -5.499 1.00 10.00 C ATOM 0 H THR A 63 3.365 7.761 -5.910 1.00 10.00 H new ATOM 0 HA THR A 63 6.257 8.256 -6.087 1.00 10.00 H new ATOM 0 HB THR A 63 6.123 9.648 -4.114 1.00 10.00 H new ATOM 0 HG1 THR A 63 4.037 10.050 -3.111 1.00 10.00 H new ATOM 0 HG21 THR A 63 4.677 11.497 -4.883 1.00 10.00 H new ATOM 0 HG22 THR A 63 5.603 10.782 -6.224 1.00 10.00 H new ATOM 0 HG23 THR A 63 3.880 10.388 -6.025 1.00 10.00 H new ATOM 671 N LEU A 64 6.761 6.982 -3.877 1.00 10.00 N ATOM 672 CA LEU A 64 7.144 5.944 -2.935 1.00 10.00 C ATOM 673 C LEU A 64 6.195 5.906 -1.743 1.00 10.00 C ATOM 674 O LEU A 64 5.803 4.835 -1.292 1.00 10.00 O ATOM 675 CB LEU A 64 8.573 6.192 -2.450 1.00 10.00 C ATOM 676 CG LEU A 64 9.108 5.170 -1.448 1.00 10.00 C ATOM 677 CD1 LEU A 64 9.382 3.843 -2.137 1.00 10.00 C ATOM 678 CD2 LEU A 64 10.362 5.693 -0.761 1.00 10.00 C ATOM 0 H LEU A 64 7.465 7.710 -3.999 1.00 10.00 H new ATOM 0 HA LEU A 64 7.090 4.982 -3.444 1.00 10.00 H new ATOM 0 HB2 LEU A 64 9.235 6.209 -3.316 1.00 10.00 H new ATOM 0 HB3 LEU A 64 8.618 7.181 -1.995 1.00 10.00 H new ATOM 0 HG LEU A 64 8.348 5.008 -0.683 1.00 10.00 H new ATOM 0 HD11 LEU A 64 9.762 3.127 -1.409 1.00 10.00 H new ATOM 0 HD12 LEU A 64 8.458 3.462 -2.573 1.00 10.00 H new ATOM 0 HD13 LEU A 64 10.122 3.988 -2.924 1.00 10.00 H new ATOM 0 HD21 LEU A 64 10.726 4.949 -0.052 1.00 10.00 H new ATOM 0 HD22 LEU A 64 11.131 5.889 -1.508 1.00 10.00 H new ATOM 0 HD23 LEU A 64 10.128 6.616 -0.231 1.00 10.00 H new ATOM 690 N LYS A 65 5.829 7.081 -1.243 1.00 10.00 N ATOM 691 CA LYS A 65 4.930 7.179 -0.099 1.00 10.00 C ATOM 692 C LYS A 65 3.607 6.485 -0.392 1.00 10.00 C ATOM 693 O LYS A 65 3.199 5.584 0.335 1.00 10.00 O ATOM 694 CB LYS A 65 4.681 8.636 0.269 1.00 10.00 C ATOM 695 CG LYS A 65 4.167 8.793 1.684 1.00 10.00 C ATOM 696 CD LYS A 65 4.165 10.241 2.126 1.00 10.00 C ATOM 697 CE LYS A 65 4.169 10.336 3.639 1.00 10.00 C ATOM 698 NZ LYS A 65 3.988 11.733 4.117 1.00 10.00 N ATOM 0 H LYS A 65 6.141 7.979 -1.612 1.00 10.00 H new ATOM 0 HA LYS A 65 5.408 6.681 0.745 1.00 10.00 H new ATOM 0 HB2 LYS A 65 5.607 9.200 0.157 1.00 10.00 H new ATOM 0 HB3 LYS A 65 3.960 9.066 -0.427 1.00 10.00 H new ATOM 0 HG2 LYS A 65 3.156 8.392 1.750 1.00 10.00 H new ATOM 0 HG3 LYS A 65 4.787 8.207 2.363 1.00 10.00 H new ATOM 0 HD2 LYS A 65 5.039 10.752 1.722 1.00 10.00 H new ATOM 0 HD3 LYS A 65 3.287 10.748 1.727 1.00 10.00 H new ATOM 0 HE2 LYS A 65 3.373 9.710 4.042 1.00 10.00 H new ATOM 0 HE3 LYS A 65 5.110 9.942 4.023 1.00 10.00 H new ATOM 0 HZ1 LYS A 65 3.997 11.748 5.157 1.00 10.00 H new ATOM 0 HZ2 LYS A 65 4.761 12.327 3.755 1.00 10.00 H new ATOM 0 HZ3 LYS A 65 3.078 12.102 3.774 1.00 10.00 H new ATOM 712 N THR A 66 2.962 6.892 -1.477 1.00 10.00 N ATOM 713 CA THR A 66 1.688 6.320 -1.877 1.00 10.00 C ATOM 714 C THR A 66 1.812 4.817 -2.126 1.00 10.00 C ATOM 715 O THR A 66 0.948 4.037 -1.722 1.00 10.00 O ATOM 716 CB THR A 66 1.173 7.018 -3.144 1.00 10.00 C ATOM 717 OG1 THR A 66 1.340 8.436 -3.008 1.00 10.00 O ATOM 718 CG2 THR A 66 -0.287 6.700 -3.388 1.00 10.00 C ATOM 0 H THR A 66 3.306 7.623 -2.100 1.00 10.00 H new ATOM 0 HA THR A 66 0.978 6.474 -1.064 1.00 10.00 H new ATOM 0 HB THR A 66 1.748 6.654 -3.996 1.00 10.00 H new ATOM 0 HG1 THR A 66 2.232 8.692 -3.323 1.00 10.00 H new ATOM 0 HG21 THR A 66 -0.624 7.208 -4.292 1.00 10.00 H new ATOM 0 HG22 THR A 66 -0.410 5.624 -3.510 1.00 10.00 H new ATOM 0 HG23 THR A 66 -0.880 7.039 -2.539 1.00 10.00 H new ATOM 726 N MET A 67 2.904 4.417 -2.766 1.00 10.00 N ATOM 727 CA MET A 67 3.147 3.013 -3.065 1.00 10.00 C ATOM 728 C MET A 67 3.294 2.201 -1.780 1.00 10.00 C ATOM 729 O MET A 67 2.601 1.203 -1.586 1.00 10.00 O ATOM 730 CB MET A 67 4.403 2.867 -3.924 1.00 10.00 C ATOM 731 CG MET A 67 4.638 1.453 -4.426 1.00 10.00 C ATOM 732 SD MET A 67 6.222 1.275 -5.269 1.00 10.00 S ATOM 733 CE MET A 67 7.356 1.361 -3.887 1.00 10.00 C ATOM 0 H MET A 67 3.637 5.048 -3.089 1.00 10.00 H new ATOM 0 HA MET A 67 2.290 2.628 -3.618 1.00 10.00 H new ATOM 0 HB2 MET A 67 4.328 3.539 -4.779 1.00 10.00 H new ATOM 0 HB3 MET A 67 5.269 3.186 -3.343 1.00 10.00 H new ATOM 0 HG2 MET A 67 4.598 0.761 -3.585 1.00 10.00 H new ATOM 0 HG3 MET A 67 3.834 1.174 -5.107 1.00 10.00 H new ATOM 0 HE1 MET A 67 8.213 1.977 -4.158 1.00 10.00 H new ATOM 0 HE2 MET A 67 6.850 1.801 -3.028 1.00 10.00 H new ATOM 0 HE3 MET A 67 7.696 0.357 -3.633 1.00 10.00 H new ATOM 743 N LEU A 68 4.179 2.650 -0.896 1.00 10.00 N ATOM 744 CA LEU A 68 4.420 1.963 0.368 1.00 10.00 C ATOM 745 C LEU A 68 3.164 1.934 1.230 1.00 10.00 C ATOM 746 O LEU A 68 2.872 0.926 1.874 1.00 10.00 O ATOM 747 CB LEU A 68 5.562 2.629 1.137 1.00 10.00 C ATOM 748 CG LEU A 68 6.955 2.467 0.519 1.00 10.00 C ATOM 749 CD1 LEU A 68 7.992 3.174 1.374 1.00 10.00 C ATOM 750 CD2 LEU A 68 7.309 0.995 0.363 1.00 10.00 C ATOM 0 H LEU A 68 4.743 3.489 -1.032 1.00 10.00 H new ATOM 0 HA LEU A 68 4.701 0.936 0.134 1.00 10.00 H new ATOM 0 HB2 LEU A 68 5.345 3.693 1.226 1.00 10.00 H new ATOM 0 HB3 LEU A 68 5.582 2.222 2.148 1.00 10.00 H new ATOM 0 HG LEU A 68 6.948 2.921 -0.472 1.00 10.00 H new ATOM 0 HD11 LEU A 68 8.978 3.052 0.925 1.00 10.00 H new ATOM 0 HD12 LEU A 68 7.750 4.235 1.436 1.00 10.00 H new ATOM 0 HD13 LEU A 68 7.993 2.743 2.375 1.00 10.00 H new ATOM 0 HD21 LEU A 68 8.302 0.904 -0.078 1.00 10.00 H new ATOM 0 HD22 LEU A 68 7.300 0.513 1.341 1.00 10.00 H new ATOM 0 HD23 LEU A 68 6.579 0.512 -0.286 1.00 10.00 H new ATOM 762 N GLU A 69 2.430 3.039 1.244 1.00 10.00 N ATOM 763 CA GLU A 69 1.202 3.125 2.022 1.00 10.00 C ATOM 764 C GLU A 69 0.202 2.078 1.549 1.00 10.00 C ATOM 765 O GLU A 69 -0.433 1.406 2.360 1.00 10.00 O ATOM 766 CB GLU A 69 0.595 4.522 1.922 1.00 10.00 C ATOM 767 CG GLU A 69 1.294 5.545 2.806 1.00 10.00 C ATOM 768 CD GLU A 69 0.468 6.790 3.030 1.00 10.00 C ATOM 769 OE1 GLU A 69 0.541 7.723 2.200 1.00 10.00 O ATOM 770 OE2 GLU A 69 -0.265 6.840 4.040 1.00 10.00 O ATOM 0 H GLU A 69 2.663 3.886 0.726 1.00 10.00 H new ATOM 0 HA GLU A 69 1.444 2.931 3.067 1.00 10.00 H new ATOM 0 HB2 GLU A 69 0.639 4.857 0.886 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -0.459 4.474 2.197 1.00 10.00 H new ATOM 0 HG2 GLU A 69 1.523 5.089 3.769 1.00 10.00 H new ATOM 0 HG3 GLU A 69 2.244 5.823 2.350 1.00 10.00 H new ATOM 777 N ARG A 70 0.080 1.934 0.235 1.00 10.00 N ATOM 778 CA ARG A 70 -0.830 0.957 -0.348 1.00 10.00 C ATOM 779 C ARG A 70 -0.356 -0.458 -0.034 1.00 10.00 C ATOM 780 O ARG A 70 -1.156 -1.322 0.324 1.00 10.00 O ATOM 781 CB ARG A 70 -0.934 1.159 -1.859 1.00 10.00 C ATOM 782 CG ARG A 70 -1.745 2.382 -2.252 1.00 10.00 C ATOM 783 CD ARG A 70 -1.629 2.674 -3.736 1.00 10.00 C ATOM 784 NE ARG A 70 -2.561 3.722 -4.157 1.00 10.00 N ATOM 785 CZ ARG A 70 -2.505 4.341 -5.336 1.00 10.00 C ATOM 786 NH1 ARG A 70 -1.532 4.069 -6.192 1.00 10.00 N ATOM 787 NH2 ARG A 70 -3.416 5.249 -5.650 1.00 10.00 N ATOM 0 H ARG A 70 0.602 2.483 -0.448 1.00 10.00 H new ATOM 0 HA ARG A 70 -1.819 1.100 0.088 1.00 10.00 H new ATOM 0 HB2 ARG A 70 0.069 1.249 -2.276 1.00 10.00 H new ATOM 0 HB3 ARG A 70 -1.387 0.274 -2.306 1.00 10.00 H new ATOM 0 HG2 ARG A 70 -2.792 2.224 -1.992 1.00 10.00 H new ATOM 0 HG3 ARG A 70 -1.402 3.246 -1.682 1.00 10.00 H new ATOM 0 HD2 ARG A 70 -0.609 2.980 -3.968 1.00 10.00 H new ATOM 0 HD3 ARG A 70 -1.825 1.764 -4.302 1.00 10.00 H new ATOM 0 HE ARG A 70 -3.299 3.995 -3.508 1.00 10.00 H new ATOM 0 HH11 ARG A 70 -0.818 3.381 -5.951 1.00 10.00 H new ATOM 0 HH12 ARG A 70 -1.496 4.547 -7.092 1.00 10.00 H new ATOM 0 HH21 ARG A 70 -4.160 5.474 -4.990 1.00 10.00 H new ATOM 0 HH22 ARG A 70 -3.374 5.723 -6.552 1.00 10.00 H new ATOM 801 N TRP A 71 0.952 -0.676 -0.149 1.00 10.00 N ATOM 802 CA TRP A 71 1.550 -1.980 0.128 1.00 10.00 C ATOM 803 C TRP A 71 1.258 -2.411 1.563 1.00 10.00 C ATOM 804 O TRP A 71 0.728 -3.500 1.807 1.00 10.00 O ATOM 805 CB TRP A 71 3.067 -1.926 -0.074 1.00 10.00 C ATOM 806 CG TRP A 71 3.515 -1.957 -1.505 1.00 10.00 C ATOM 807 CD1 TRP A 71 2.742 -1.844 -2.626 1.00 10.00 C ATOM 808 CD2 TRP A 71 4.861 -2.120 -1.962 1.00 10.00 C ATOM 809 NE1 TRP A 71 3.530 -1.915 -3.749 1.00 10.00 N ATOM 810 CE2 TRP A 71 4.835 -2.089 -3.368 1.00 10.00 C ATOM 811 CE3 TRP A 71 6.089 -2.289 -1.316 1.00 10.00 C ATOM 812 CZ2 TRP A 71 5.988 -2.217 -4.137 1.00 10.00 C ATOM 813 CZ3 TRP A 71 7.231 -2.418 -2.080 1.00 10.00 C ATOM 814 CH2 TRP A 71 7.175 -2.380 -3.477 1.00 10.00 C ATOM 0 H TRP A 71 1.622 0.039 -0.434 1.00 10.00 H new ATOM 0 HA TRP A 71 1.114 -2.701 -0.563 1.00 10.00 H new ATOM 0 HB2 TRP A 71 3.449 -1.017 0.391 1.00 10.00 H new ATOM 0 HB3 TRP A 71 3.519 -2.767 0.451 1.00 10.00 H new ATOM 0 HD1 TRP A 71 1.669 -1.717 -2.629 1.00 10.00 H new ATOM 0 HE1 TRP A 71 3.198 -1.849 -4.711 1.00 10.00 H new ATOM 0 HE3 TRP A 71 6.143 -2.318 -0.238 1.00 10.00 H new ATOM 0 HZ2 TRP A 71 5.947 -2.189 -5.216 1.00 10.00 H new ATOM 0 HZ3 TRP A 71 8.185 -2.551 -1.591 1.00 10.00 H new ATOM 0 HH2 TRP A 71 8.087 -2.481 -4.046 1.00 10.00 H new ATOM 825 N ALA A 72 1.606 -1.540 2.508 1.00 10.00 N ATOM 826 CA ALA A 72 1.401 -1.808 3.925 1.00 10.00 C ATOM 827 C ALA A 72 -0.078 -1.956 4.262 1.00 10.00 C ATOM 828 O ALA A 72 -0.451 -2.828 5.042 1.00 10.00 O ATOM 829 CB ALA A 72 2.028 -0.706 4.765 1.00 10.00 C ATOM 0 H ALA A 72 2.035 -0.635 2.313 1.00 10.00 H new ATOM 0 HA ALA A 72 1.888 -2.755 4.158 1.00 10.00 H new ATOM 0 HB1 ALA A 72 1.868 -0.918 5.822 1.00 10.00 H new ATOM 0 HB2 ALA A 72 3.098 -0.658 4.563 1.00 10.00 H new ATOM 0 HB3 ALA A 72 1.568 0.250 4.513 1.00 10.00 H new ATOM 835 N ALA A 73 -0.921 -1.122 3.665 1.00 10.00 N ATOM 836 CA ALA A 73 -2.357 -1.174 3.925 1.00 10.00 C ATOM 837 C ALA A 73 -2.961 -2.485 3.437 1.00 10.00 C ATOM 838 O ALA A 73 -3.796 -3.088 4.118 1.00 10.00 O ATOM 839 CB ALA A 73 -3.064 0.003 3.272 1.00 10.00 C ATOM 0 H ALA A 73 -0.638 -0.403 2.999 1.00 10.00 H new ATOM 0 HA ALA A 73 -2.499 -1.115 5.004 1.00 10.00 H new ATOM 0 HB1 ALA A 73 -4.133 -0.055 3.478 1.00 10.00 H new ATOM 0 HB2 ALA A 73 -2.667 0.935 3.674 1.00 10.00 H new ATOM 0 HB3 ALA A 73 -2.900 -0.026 2.195 1.00 10.00 H new ATOM 845 N ASP A 74 -2.517 -2.934 2.271 1.00 10.00 N ATOM 846 CA ASP A 74 -3.019 -4.171 1.682 1.00 10.00 C ATOM 847 C ASP A 74 -2.577 -5.388 2.484 1.00 10.00 C ATOM 848 O ASP A 74 -3.197 -6.447 2.417 1.00 10.00 O ATOM 849 CB ASP A 74 -2.548 -4.310 0.233 1.00 10.00 C ATOM 850 CG ASP A 74 -3.635 -4.845 -0.680 1.00 10.00 C ATOM 851 OD1 ASP A 74 -3.806 -6.079 -0.763 1.00 10.00 O ATOM 852 OD2 ASP A 74 -4.330 -4.027 -1.324 1.00 10.00 O ATOM 0 H ASP A 74 -1.808 -2.460 1.712 1.00 10.00 H new ATOM 0 HA ASP A 74 -4.108 -4.122 1.701 1.00 10.00 H new ATOM 0 HB2 ASP A 74 -2.216 -3.338 -0.133 1.00 10.00 H new ATOM 0 HB3 ASP A 74 -1.686 -4.976 0.196 1.00 10.00 H new ATOM 857 N SER A 75 -1.519 -5.230 3.263 1.00 10.00 N ATOM 858 CA SER A 75 -0.994 -6.328 4.060 1.00 10.00 C ATOM 859 C SER A 75 -1.253 -6.118 5.552 1.00 10.00 C ATOM 860 O SER A 75 -0.760 -6.883 6.383 1.00 10.00 O ATOM 861 CB SER A 75 0.502 -6.465 3.804 1.00 10.00 C ATOM 862 OG SER A 75 0.803 -6.232 2.437 1.00 10.00 O ATOM 0 H SER A 75 -1.007 -4.353 3.361 1.00 10.00 H new ATOM 0 HA SER A 75 -1.508 -7.242 3.764 1.00 10.00 H new ATOM 0 HB2 SER A 75 1.048 -5.757 4.427 1.00 10.00 H new ATOM 0 HB3 SER A 75 0.834 -7.463 4.089 1.00 10.00 H new ATOM 0 HG SER A 75 0.798 -5.268 2.261 1.00 10.00 H new ATOM 868 N ASN A 76 -2.023 -5.079 5.881 1.00 10.00 N ATOM 869 CA ASN A 76 -2.351 -4.758 7.274 1.00 10.00 C ATOM 870 C ASN A 76 -1.074 -4.563 8.099 1.00 10.00 C ATOM 871 O ASN A 76 -0.911 -5.120 9.186 1.00 10.00 O ATOM 872 CB ASN A 76 -3.234 -5.860 7.876 1.00 10.00 C ATOM 873 CG ASN A 76 -3.832 -5.483 9.220 1.00 10.00 C ATOM 874 OD1 ASN A 76 -3.990 -4.300 9.542 1.00 10.00 O ATOM 875 ND2 ASN A 76 -4.176 -6.488 10.010 1.00 10.00 N ATOM 0 H ASN A 76 -2.434 -4.442 5.199 1.00 10.00 H new ATOM 0 HA ASN A 76 -2.908 -3.821 7.296 1.00 10.00 H new ATOM 0 HB2 ASN A 76 -4.040 -6.091 7.180 1.00 10.00 H new ATOM 0 HB3 ASN A 76 -2.642 -6.768 7.991 1.00 10.00 H new ATOM 0 HD21 ASN A 76 -4.589 -6.300 10.924 1.00 10.00 H new ATOM 0 HD22 ASN A 76 -4.028 -7.450 9.705 1.00 10.00 H new ATOM 882 N MET A 77 -0.166 -3.769 7.552 1.00 10.00 N ATOM 883 CA MET A 77 1.109 -3.475 8.195 1.00 10.00 C ATOM 884 C MET A 77 1.206 -1.989 8.511 1.00 10.00 C ATOM 885 O MET A 77 0.343 -1.201 8.111 1.00 10.00 O ATOM 886 CB MET A 77 2.269 -3.875 7.281 1.00 10.00 C ATOM 887 CG MET A 77 2.345 -5.366 6.999 1.00 10.00 C ATOM 888 SD MET A 77 3.350 -5.748 5.550 1.00 10.00 S ATOM 889 CE MET A 77 4.945 -5.112 6.059 1.00 10.00 C ATOM 0 H MET A 77 -0.291 -3.310 6.650 1.00 10.00 H new ATOM 0 HA MET A 77 1.168 -4.047 9.121 1.00 10.00 H new ATOM 0 HB2 MET A 77 2.175 -3.341 6.336 1.00 10.00 H new ATOM 0 HB3 MET A 77 3.205 -3.553 7.737 1.00 10.00 H new ATOM 0 HG2 MET A 77 2.760 -5.876 7.869 1.00 10.00 H new ATOM 0 HG3 MET A 77 1.338 -5.756 6.851 1.00 10.00 H new ATOM 0 HE1 MET A 77 5.234 -4.289 5.405 1.00 10.00 H new ATOM 0 HE2 MET A 77 4.883 -4.754 7.087 1.00 10.00 H new ATOM 0 HE3 MET A 77 5.690 -5.905 5.995 1.00 10.00 H new ATOM 899 N GLN A 78 2.257 -1.613 9.223 1.00 10.00 N ATOM 900 CA GLN A 78 2.481 -0.220 9.584 1.00 10.00 C ATOM 901 C GLN A 78 3.614 0.360 8.744 1.00 10.00 C ATOM 902 O GLN A 78 4.434 -0.385 8.205 1.00 10.00 O ATOM 903 CB GLN A 78 2.797 -0.096 11.075 1.00 10.00 C ATOM 904 CG GLN A 78 1.584 -0.309 11.965 1.00 10.00 C ATOM 905 CD GLN A 78 0.567 0.808 11.844 1.00 10.00 C ATOM 906 OE1 GLN A 78 0.653 1.816 12.543 1.00 10.00 O ATOM 907 NE2 GLN A 78 -0.410 0.631 10.967 1.00 10.00 N ATOM 0 H GLN A 78 2.972 -2.256 9.564 1.00 10.00 H new ATOM 0 HA GLN A 78 1.571 0.346 9.382 1.00 10.00 H new ATOM 0 HB2 GLN A 78 3.565 -0.823 11.339 1.00 10.00 H new ATOM 0 HB3 GLN A 78 3.214 0.892 11.270 1.00 10.00 H new ATOM 0 HG2 GLN A 78 1.110 -1.256 11.706 1.00 10.00 H new ATOM 0 HG3 GLN A 78 1.909 -0.388 13.002 1.00 10.00 H new ATOM 0 HE21 GLN A 78 -0.444 -0.221 10.407 1.00 10.00 H new ATOM 0 HE22 GLN A 78 -1.128 1.346 10.852 1.00 10.00 H new ATOM 916 N LEU A 79 3.669 1.681 8.639 1.00 10.00 N ATOM 917 CA LEU A 79 4.693 2.341 7.841 1.00 10.00 C ATOM 918 C LEU A 79 5.307 3.523 8.580 1.00 10.00 C ATOM 919 O LEU A 79 4.614 4.291 9.245 1.00 10.00 O ATOM 920 CB LEU A 79 4.096 2.804 6.507 1.00 10.00 C ATOM 921 CG LEU A 79 5.003 3.696 5.654 1.00 10.00 C ATOM 922 CD1 LEU A 79 6.080 2.873 4.969 1.00 10.00 C ATOM 923 CD2 LEU A 79 4.183 4.463 4.629 1.00 10.00 C ATOM 0 H LEU A 79 3.016 2.317 9.097 1.00 10.00 H new ATOM 0 HA LEU A 79 5.489 1.620 7.653 1.00 10.00 H new ATOM 0 HB2 LEU A 79 3.829 1.923 5.923 1.00 10.00 H new ATOM 0 HB3 LEU A 79 3.171 3.344 6.710 1.00 10.00 H new ATOM 0 HG LEU A 79 5.492 4.414 6.312 1.00 10.00 H new ATOM 0 HD11 LEU A 79 6.712 3.528 4.369 1.00 10.00 H new ATOM 0 HD12 LEU A 79 6.688 2.371 5.722 1.00 10.00 H new ATOM 0 HD13 LEU A 79 5.614 2.128 4.324 1.00 10.00 H new ATOM 0 HD21 LEU A 79 4.843 5.092 4.032 1.00 10.00 H new ATOM 0 HD22 LEU A 79 3.665 3.759 3.978 1.00 10.00 H new ATOM 0 HD23 LEU A 79 3.452 5.089 5.142 1.00 10.00 H new ATOM 935 N SER A 80 6.613 3.650 8.462 1.00 10.00 N ATOM 936 CA SER A 80 7.344 4.730 9.088 1.00 10.00 C ATOM 937 C SER A 80 8.135 5.505 8.038 1.00 10.00 C ATOM 938 O SER A 80 9.237 5.111 7.656 1.00 10.00 O ATOM 939 CB SER A 80 8.273 4.161 10.160 1.00 10.00 C ATOM 940 OG SER A 80 7.639 4.139 11.429 1.00 10.00 O ATOM 0 H SER A 80 7.197 3.006 7.929 1.00 10.00 H new ATOM 0 HA SER A 80 6.644 5.419 9.561 1.00 10.00 H new ATOM 0 HB2 SER A 80 8.575 3.151 9.884 1.00 10.00 H new ATOM 0 HB3 SER A 80 9.181 4.762 10.214 1.00 10.00 H new ATOM 0 HG SER A 80 7.992 3.394 11.958 1.00 10.00 H new ATOM 946 N TYR A 81 7.559 6.605 7.571 1.00 10.00 N ATOM 947 CA TYR A 81 8.187 7.429 6.548 1.00 10.00 C ATOM 948 C TYR A 81 9.035 8.532 7.182 1.00 10.00 C ATOM 949 O TYR A 81 8.506 9.536 7.658 1.00 10.00 O ATOM 950 CB TYR A 81 7.109 8.038 5.645 1.00 10.00 C ATOM 951 CG TYR A 81 7.581 8.394 4.251 1.00 10.00 C ATOM 952 CD1 TYR A 81 7.831 7.406 3.306 1.00 10.00 C ATOM 953 CD2 TYR A 81 7.758 9.719 3.876 1.00 10.00 C ATOM 954 CE1 TYR A 81 8.251 7.730 2.030 1.00 10.00 C ATOM 955 CE2 TYR A 81 8.174 10.050 2.601 1.00 10.00 C ATOM 956 CZ TYR A 81 8.419 9.052 1.683 1.00 10.00 C ATOM 957 OH TYR A 81 8.838 9.379 0.415 1.00 10.00 O ATOM 0 H TYR A 81 6.652 6.948 7.887 1.00 10.00 H new ATOM 0 HA TYR A 81 8.846 6.801 5.948 1.00 10.00 H new ATOM 0 HB2 TYR A 81 6.281 7.334 5.565 1.00 10.00 H new ATOM 0 HB3 TYR A 81 6.719 8.937 6.123 1.00 10.00 H new ATOM 0 HD1 TYR A 81 7.695 6.368 3.573 1.00 10.00 H new ATOM 0 HD2 TYR A 81 7.567 10.504 4.593 1.00 10.00 H new ATOM 0 HE1 TYR A 81 8.446 6.950 1.309 1.00 10.00 H new ATOM 0 HE2 TYR A 81 8.307 11.086 2.325 1.00 10.00 H new ATOM 0 HH TYR A 81 9.392 10.186 0.452 1.00 10.00 H new ATOM 967 N ASN A 82 10.347 8.341 7.184 1.00 10.00 N ATOM 968 CA ASN A 82 11.264 9.320 7.763 1.00 10.00 C ATOM 969 C ASN A 82 11.982 10.104 6.672 1.00 10.00 C ATOM 970 O ASN A 82 13.140 10.489 6.826 1.00 10.00 O ATOM 971 CB ASN A 82 12.294 8.630 8.658 1.00 10.00 C ATOM 972 CG ASN A 82 11.722 8.206 9.995 1.00 10.00 C ATOM 973 OD1 ASN A 82 11.749 8.964 10.966 1.00 10.00 O ATOM 974 ND2 ASN A 82 11.210 6.988 10.055 1.00 10.00 N ATOM 0 H ASN A 82 10.803 7.517 6.792 1.00 10.00 H new ATOM 0 HA ASN A 82 10.674 10.012 8.364 1.00 10.00 H new ATOM 0 HB2 ASN A 82 12.687 7.754 8.142 1.00 10.00 H new ATOM 0 HB3 ASN A 82 13.133 9.305 8.825 1.00 10.00 H new ATOM 0 HD21 ASN A 82 10.817 6.643 10.930 1.00 10.00 H new ATOM 0 HD22 ASN A 82 11.209 6.394 9.226 1.00 10.00 H new ATOM 981 N LEU A 83 11.293 10.337 5.566 1.00 10.00 N ATOM 982 CA LEU A 83 11.874 11.077 4.460 1.00 10.00 C ATOM 983 C LEU A 83 11.336 12.497 4.445 1.00 10.00 C ATOM 984 O LEU A 83 10.187 12.731 4.821 1.00 10.00 O ATOM 985 CB LEU A 83 11.575 10.393 3.126 1.00 10.00 C ATOM 986 CG LEU A 83 12.059 8.948 3.006 1.00 10.00 C ATOM 987 CD1 LEU A 83 11.833 8.430 1.594 1.00 10.00 C ATOM 988 CD2 LEU A 83 13.527 8.837 3.380 1.00 10.00 C ATOM 0 H LEU A 83 10.334 10.025 5.412 1.00 10.00 H new ATOM 0 HA LEU A 83 12.955 11.102 4.598 1.00 10.00 H new ATOM 0 HB2 LEU A 83 10.498 10.412 2.961 1.00 10.00 H new ATOM 0 HB3 LEU A 83 12.030 10.978 2.327 1.00 10.00 H new ATOM 0 HG LEU A 83 11.483 8.337 3.700 1.00 10.00 H new ATOM 0 HD11 LEU A 83 12.183 7.400 1.524 1.00 10.00 H new ATOM 0 HD12 LEU A 83 10.770 8.469 1.358 1.00 10.00 H new ATOM 0 HD13 LEU A 83 12.385 9.049 0.887 1.00 10.00 H new ATOM 0 HD21 LEU A 83 13.849 7.800 3.287 1.00 10.00 H new ATOM 0 HD22 LEU A 83 14.121 9.462 2.713 1.00 10.00 H new ATOM 0 HD23 LEU A 83 13.667 9.169 4.409 1.00 10.00 H new ATOM 1000 N PRO A 84 12.162 13.462 4.018 1.00 10.00 N ATOM 1001 CA PRO A 84 11.766 14.870 3.949 1.00 10.00 C ATOM 1002 C PRO A 84 10.572 15.092 3.023 1.00 10.00 C ATOM 1003 O PRO A 84 9.732 15.960 3.268 1.00 10.00 O ATOM 1004 CB PRO A 84 13.013 15.578 3.403 1.00 10.00 C ATOM 1005 CG PRO A 84 13.842 14.500 2.793 1.00 10.00 C ATOM 1006 CD PRO A 84 13.554 13.260 3.584 1.00 10.00 C ATOM 0 HA PRO A 84 11.446 15.247 4.921 1.00 10.00 H new ATOM 0 HB2 PRO A 84 12.745 16.333 2.664 1.00 10.00 H new ATOM 0 HB3 PRO A 84 13.555 16.089 4.199 1.00 10.00 H new ATOM 0 HG2 PRO A 84 13.588 14.360 1.742 1.00 10.00 H new ATOM 0 HG3 PRO A 84 14.902 14.752 2.834 1.00 10.00 H new ATOM 0 HD2 PRO A 84 13.662 12.360 2.978 1.00 10.00 H new ATOM 0 HD3 PRO A 84 14.230 13.156 4.432 1.00 10.00 H new ATOM 1014 N SER A 85 10.504 14.312 1.955 1.00 10.00 N ATOM 1015 CA SER A 85 9.415 14.418 0.995 1.00 10.00 C ATOM 1016 C SER A 85 9.183 13.078 0.306 1.00 10.00 C ATOM 1017 O SER A 85 10.003 12.161 0.416 1.00 10.00 O ATOM 1018 CB SER A 85 9.741 15.482 -0.056 1.00 10.00 C ATOM 1019 OG SER A 85 10.176 16.689 0.551 1.00 10.00 O ATOM 0 H SER A 85 11.194 13.595 1.730 1.00 10.00 H new ATOM 0 HA SER A 85 8.510 14.705 1.531 1.00 10.00 H new ATOM 0 HB2 SER A 85 10.516 15.109 -0.726 1.00 10.00 H new ATOM 0 HB3 SER A 85 8.859 15.676 -0.666 1.00 10.00 H new ATOM 0 HG SER A 85 10.379 17.350 -0.144 1.00 10.00 H new ATOM 1025 N ASP A 86 8.057 12.956 -0.383 1.00 10.00 N ATOM 1026 CA ASP A 86 7.739 11.741 -1.108 1.00 10.00 C ATOM 1027 C ASP A 86 8.397 11.800 -2.480 1.00 10.00 C ATOM 1028 O ASP A 86 8.267 12.790 -3.196 1.00 10.00 O ATOM 1029 CB ASP A 86 6.223 11.544 -1.232 1.00 10.00 C ATOM 1030 CG ASP A 86 5.515 12.706 -1.903 1.00 10.00 C ATOM 1031 OD1 ASP A 86 5.475 13.808 -1.311 1.00 10.00 O ATOM 1032 OD2 ASP A 86 4.969 12.521 -3.006 1.00 10.00 O ATOM 0 H ASP A 86 7.349 13.687 -0.453 1.00 10.00 H new ATOM 0 HA ASP A 86 8.125 10.884 -0.556 1.00 10.00 H new ATOM 0 HB2 ASP A 86 6.028 10.634 -1.799 1.00 10.00 H new ATOM 0 HB3 ASP A 86 5.801 11.397 -0.238 1.00 10.00 H new ATOM 1037 N TYR A 87 9.126 10.752 -2.828 1.00 10.00 N ATOM 1038 CA TYR A 87 9.827 10.708 -4.103 1.00 10.00 C ATOM 1039 C TYR A 87 9.063 9.879 -5.121 1.00 10.00 C ATOM 1040 O TYR A 87 8.538 8.814 -4.796 1.00 10.00 O ATOM 1041 CB TYR A 87 11.232 10.131 -3.919 1.00 10.00 C ATOM 1042 CG TYR A 87 12.077 10.902 -2.928 1.00 10.00 C ATOM 1043 CD1 TYR A 87 12.731 12.067 -3.302 1.00 10.00 C ATOM 1044 CD2 TYR A 87 12.213 10.467 -1.616 1.00 10.00 C ATOM 1045 CE1 TYR A 87 13.497 12.777 -2.398 1.00 10.00 C ATOM 1046 CE2 TYR A 87 12.978 11.171 -0.706 1.00 10.00 C ATOM 1047 CZ TYR A 87 13.616 12.323 -1.102 1.00 10.00 C ATOM 1048 OH TYR A 87 14.376 13.027 -0.198 1.00 10.00 O ATOM 0 H TYR A 87 9.248 9.922 -2.248 1.00 10.00 H new ATOM 0 HA TYR A 87 9.903 11.729 -4.476 1.00 10.00 H new ATOM 0 HB2 TYR A 87 11.150 9.096 -3.587 1.00 10.00 H new ATOM 0 HB3 TYR A 87 11.740 10.117 -4.884 1.00 10.00 H new ATOM 0 HD1 TYR A 87 12.640 12.425 -4.317 1.00 10.00 H new ATOM 0 HD2 TYR A 87 11.712 9.563 -1.302 1.00 10.00 H new ATOM 0 HE1 TYR A 87 14.000 13.682 -2.705 1.00 10.00 H new ATOM 0 HE2 TYR A 87 13.074 10.819 0.310 1.00 10.00 H new ATOM 0 HH TYR A 87 14.355 12.573 0.670 1.00 10.00 H new ATOM 1058 N THR A 88 8.992 10.383 -6.343 1.00 10.00 N ATOM 1059 CA THR A 88 8.309 9.692 -7.422 1.00 10.00 C ATOM 1060 C THR A 88 9.119 8.486 -7.881 1.00 10.00 C ATOM 1061 O THR A 88 10.339 8.448 -7.691 1.00 10.00 O ATOM 1062 CB THR A 88 8.075 10.632 -8.619 1.00 10.00 C ATOM 1063 OG1 THR A 88 9.144 11.587 -8.718 1.00 10.00 O ATOM 1064 CG2 THR A 88 6.754 11.369 -8.476 1.00 10.00 C ATOM 0 H THR A 88 9.404 11.277 -6.612 1.00 10.00 H new ATOM 0 HA THR A 88 7.344 9.357 -7.041 1.00 10.00 H new ATOM 0 HB THR A 88 8.045 10.024 -9.523 1.00 10.00 H new ATOM 0 HG1 THR A 88 8.985 12.178 -9.484 1.00 10.00 H new ATOM 0 HG21 THR A 88 6.610 12.027 -9.333 1.00 10.00 H new ATOM 0 HG22 THR A 88 5.938 10.648 -8.431 1.00 10.00 H new ATOM 0 HG23 THR A 88 6.765 11.962 -7.561 1.00 10.00 H new ATOM 1072 N LEU A 89 8.447 7.497 -8.458 1.00 10.00 N ATOM 1073 CA LEU A 89 9.128 6.306 -8.947 1.00 10.00 C ATOM 1074 C LEU A 89 10.131 6.698 -10.030 1.00 10.00 C ATOM 1075 O LEU A 89 9.744 7.184 -11.093 1.00 10.00 O ATOM 1076 CB LEU A 89 8.121 5.294 -9.508 1.00 10.00 C ATOM 1077 CG LEU A 89 7.249 4.549 -8.481 1.00 10.00 C ATOM 1078 CD1 LEU A 89 7.671 4.847 -7.050 1.00 10.00 C ATOM 1079 CD2 LEU A 89 5.782 4.885 -8.686 1.00 10.00 C ATOM 0 H LEU A 89 7.437 7.496 -8.598 1.00 10.00 H new ATOM 0 HA LEU A 89 9.654 5.839 -8.115 1.00 10.00 H new ATOM 0 HB2 LEU A 89 7.461 5.818 -10.200 1.00 10.00 H new ATOM 0 HB3 LEU A 89 8.670 4.554 -10.090 1.00 10.00 H new ATOM 0 HG LEU A 89 7.394 3.481 -8.645 1.00 10.00 H new ATOM 0 HD11 LEU A 89 7.028 4.300 -6.360 1.00 10.00 H new ATOM 0 HD12 LEU A 89 8.706 4.538 -6.904 1.00 10.00 H new ATOM 0 HD13 LEU A 89 7.581 5.916 -6.859 1.00 10.00 H new ATOM 0 HD21 LEU A 89 5.180 4.350 -7.952 1.00 10.00 H new ATOM 0 HD22 LEU A 89 5.634 5.958 -8.564 1.00 10.00 H new ATOM 0 HD23 LEU A 89 5.478 4.589 -9.690 1.00 10.00 H new ATOM 1091 N ILE A 90 11.413 6.497 -9.747 1.00 10.00 N ATOM 1092 CA ILE A 90 12.477 6.851 -10.685 1.00 10.00 C ATOM 1093 C ILE A 90 12.351 6.115 -12.016 1.00 10.00 C ATOM 1094 O ILE A 90 12.706 6.655 -13.064 1.00 10.00 O ATOM 1095 CB ILE A 90 13.876 6.581 -10.095 1.00 10.00 C ATOM 1096 CG1 ILE A 90 13.893 5.265 -9.312 1.00 10.00 C ATOM 1097 CG2 ILE A 90 14.304 7.736 -9.206 1.00 10.00 C ATOM 1098 CD1 ILE A 90 15.279 4.817 -8.901 1.00 10.00 C ATOM 0 H ILE A 90 11.744 6.089 -8.872 1.00 10.00 H new ATOM 0 HA ILE A 90 12.362 7.920 -10.866 1.00 10.00 H new ATOM 0 HB ILE A 90 14.585 6.493 -10.919 1.00 10.00 H new ATOM 0 HG12 ILE A 90 13.278 5.376 -8.419 1.00 10.00 H new ATOM 0 HG13 ILE A 90 13.435 4.485 -9.920 1.00 10.00 H new ATOM 0 HG21 ILE A 90 15.293 7.532 -8.796 1.00 10.00 H new ATOM 0 HG22 ILE A 90 14.336 8.654 -9.793 1.00 10.00 H new ATOM 0 HG23 ILE A 90 13.590 7.851 -8.391 1.00 10.00 H new ATOM 0 HD11 ILE A 90 15.210 3.878 -8.351 1.00 10.00 H new ATOM 0 HD12 ILE A 90 15.893 4.672 -9.790 1.00 10.00 H new ATOM 0 HD13 ILE A 90 15.734 5.577 -8.266 1.00 10.00 H new ATOM 1110 N GLY A 91 11.846 4.891 -11.974 1.00 10.00 N ATOM 1111 CA GLY A 91 11.686 4.116 -13.191 1.00 10.00 C ATOM 1112 C GLY A 91 11.825 2.623 -12.956 1.00 10.00 C ATOM 1113 O GLY A 91 10.833 1.898 -13.002 1.00 10.00 O ATOM 0 H GLY A 91 11.544 4.420 -11.121 1.00 10.00 H new ATOM 0 HA2 GLY A 91 10.706 4.322 -13.622 1.00 10.00 H new ATOM 0 HA3 GLY A 91 12.430 4.436 -13.921 1.00 10.00 H new ATOM 1117 N PRO A 92 13.051 2.136 -12.667 1.00 10.00 N ATOM 1118 CA PRO A 92 13.325 0.702 -12.430 1.00 10.00 C ATOM 1119 C PRO A 92 12.543 0.118 -11.248 1.00 10.00 C ATOM 1120 O PRO A 92 12.607 -1.082 -10.981 1.00 10.00 O ATOM 1121 CB PRO A 92 14.831 0.665 -12.140 1.00 10.00 C ATOM 1122 CG PRO A 92 15.202 2.063 -11.785 1.00 10.00 C ATOM 1123 CD PRO A 92 14.280 2.942 -12.571 1.00 10.00 C ATOM 0 HA PRO A 92 13.019 0.099 -13.285 1.00 10.00 H new ATOM 0 HB2 PRO A 92 15.057 -0.020 -11.323 1.00 10.00 H new ATOM 0 HB3 PRO A 92 15.390 0.319 -13.010 1.00 10.00 H new ATOM 0 HG2 PRO A 92 15.091 2.237 -10.715 1.00 10.00 H new ATOM 0 HG3 PRO A 92 16.243 2.267 -12.034 1.00 10.00 H new ATOM 0 HD2 PRO A 92 14.101 3.892 -12.067 1.00 10.00 H new ATOM 0 HD3 PRO A 92 14.687 3.175 -13.555 1.00 10.00 H new ATOM 1131 N VAL A 93 11.815 0.973 -10.546 1.00 10.00 N ATOM 1132 CA VAL A 93 11.010 0.556 -9.405 1.00 10.00 C ATOM 1133 C VAL A 93 9.894 -0.377 -9.860 1.00 10.00 C ATOM 1134 O VAL A 93 9.543 -1.336 -9.174 1.00 10.00 O ATOM 1135 CB VAL A 93 10.377 1.770 -8.693 1.00 10.00 C ATOM 1136 CG1 VAL A 93 9.930 1.407 -7.288 1.00 10.00 C ATOM 1137 CG2 VAL A 93 11.345 2.936 -8.662 1.00 10.00 C ATOM 0 H VAL A 93 11.765 1.971 -10.749 1.00 10.00 H new ATOM 0 HA VAL A 93 11.672 0.039 -8.710 1.00 10.00 H new ATOM 0 HB VAL A 93 9.495 2.070 -9.259 1.00 10.00 H new ATOM 0 HG11 VAL A 93 9.488 2.281 -6.810 1.00 10.00 H new ATOM 0 HG12 VAL A 93 9.191 0.607 -7.337 1.00 10.00 H new ATOM 0 HG13 VAL A 93 10.790 1.072 -6.708 1.00 10.00 H new ATOM 0 HG21 VAL A 93 10.880 3.782 -8.156 1.00 10.00 H new ATOM 0 HG22 VAL A 93 12.248 2.645 -8.126 1.00 10.00 H new ATOM 0 HG23 VAL A 93 11.604 3.221 -9.682 1.00 10.00 H new ATOM 1147 N SER A 94 9.361 -0.097 -11.039 1.00 10.00 N ATOM 1148 CA SER A 94 8.278 -0.886 -11.603 1.00 10.00 C ATOM 1149 C SER A 94 8.736 -2.301 -11.959 1.00 10.00 C ATOM 1150 O SER A 94 7.913 -3.188 -12.191 1.00 10.00 O ATOM 1151 CB SER A 94 7.732 -0.180 -12.841 1.00 10.00 C ATOM 1152 OG SER A 94 7.976 1.220 -12.767 1.00 10.00 O ATOM 0 H SER A 94 9.665 0.678 -11.628 1.00 10.00 H new ATOM 0 HA SER A 94 7.493 -0.978 -10.853 1.00 10.00 H new ATOM 0 HB2 SER A 94 8.200 -0.590 -13.736 1.00 10.00 H new ATOM 0 HB3 SER A 94 6.661 -0.364 -12.929 1.00 10.00 H new ATOM 0 HG SER A 94 7.621 1.657 -13.569 1.00 10.00 H new ATOM 1158 N ALA A 95 10.047 -2.511 -11.989 1.00 10.00 N ATOM 1159 CA ALA A 95 10.602 -3.813 -12.319 1.00 10.00 C ATOM 1160 C ALA A 95 10.732 -4.685 -11.076 1.00 10.00 C ATOM 1161 O ALA A 95 11.210 -5.819 -11.146 1.00 10.00 O ATOM 1162 CB ALA A 95 11.951 -3.658 -13.003 1.00 10.00 C ATOM 0 H ALA A 95 10.744 -1.794 -11.788 1.00 10.00 H new ATOM 0 HA ALA A 95 9.916 -4.307 -13.007 1.00 10.00 H new ATOM 0 HB1 ALA A 95 12.352 -4.643 -13.243 1.00 10.00 H new ATOM 0 HB2 ALA A 95 11.830 -3.082 -13.920 1.00 10.00 H new ATOM 0 HB3 ALA A 95 12.639 -3.138 -12.336 1.00 10.00 H new ATOM 1168 N ILE A 96 10.306 -4.156 -9.940 1.00 10.00 N ATOM 1169 CA ILE A 96 10.366 -4.888 -8.690 1.00 10.00 C ATOM 1170 C ILE A 96 9.005 -5.498 -8.398 1.00 10.00 C ATOM 1171 O ILE A 96 8.039 -4.785 -8.124 1.00 10.00 O ATOM 1172 CB ILE A 96 10.809 -3.980 -7.523 1.00 10.00 C ATOM 1173 CG1 ILE A 96 12.152 -3.326 -7.862 1.00 10.00 C ATOM 1174 CG2 ILE A 96 10.916 -4.778 -6.227 1.00 10.00 C ATOM 1175 CD1 ILE A 96 12.461 -2.092 -7.044 1.00 10.00 C ATOM 0 H ILE A 96 9.914 -3.218 -9.861 1.00 10.00 H new ATOM 0 HA ILE A 96 11.109 -5.679 -8.788 1.00 10.00 H new ATOM 0 HB ILE A 96 10.059 -3.202 -7.378 1.00 10.00 H new ATOM 0 HG12 ILE A 96 12.947 -4.056 -7.713 1.00 10.00 H new ATOM 0 HG13 ILE A 96 12.158 -3.059 -8.919 1.00 10.00 H new ATOM 0 HG21 ILE A 96 11.230 -4.118 -5.418 1.00 10.00 H new ATOM 0 HG22 ILE A 96 9.946 -5.212 -5.986 1.00 10.00 H new ATOM 0 HG23 ILE A 96 11.649 -5.575 -6.350 1.00 10.00 H new ATOM 0 HD11 ILE A 96 13.428 -1.689 -7.344 1.00 10.00 H new ATOM 0 HD12 ILE A 96 11.688 -1.342 -7.211 1.00 10.00 H new ATOM 0 HD13 ILE A 96 12.490 -2.354 -5.986 1.00 10.00 H new ATOM 1187 N SER A 97 8.933 -6.812 -8.493 1.00 10.00 N ATOM 1188 CA SER A 97 7.693 -7.528 -8.266 1.00 10.00 C ATOM 1189 C SER A 97 7.956 -8.829 -7.514 1.00 10.00 C ATOM 1190 O SER A 97 8.290 -9.855 -8.112 1.00 10.00 O ATOM 1191 CB SER A 97 7.010 -7.802 -9.610 1.00 10.00 C ATOM 1192 OG SER A 97 5.748 -8.426 -9.444 1.00 10.00 O ATOM 0 H SER A 97 9.726 -7.409 -8.728 1.00 10.00 H new ATOM 0 HA SER A 97 7.032 -6.917 -7.652 1.00 10.00 H new ATOM 0 HB2 SER A 97 6.883 -6.864 -10.151 1.00 10.00 H new ATOM 0 HB3 SER A 97 7.652 -8.437 -10.220 1.00 10.00 H new ATOM 0 HG SER A 97 5.036 -7.782 -9.641 1.00 10.00 H new ATOM 1198 N THR A 98 7.835 -8.769 -6.199 1.00 10.00 N ATOM 1199 CA THR A 98 8.054 -9.930 -5.352 1.00 10.00 C ATOM 1200 C THR A 98 6.914 -10.081 -4.345 1.00 10.00 C ATOM 1201 O THR A 98 6.221 -9.112 -4.036 1.00 10.00 O ATOM 1202 CB THR A 98 9.404 -9.835 -4.605 1.00 10.00 C ATOM 1203 OG1 THR A 98 9.674 -11.058 -3.910 1.00 10.00 O ATOM 1204 CG2 THR A 98 9.400 -8.679 -3.620 1.00 10.00 C ATOM 0 H THR A 98 7.584 -7.921 -5.691 1.00 10.00 H new ATOM 0 HA THR A 98 8.081 -10.808 -5.997 1.00 10.00 H new ATOM 0 HB THR A 98 10.185 -9.660 -5.344 1.00 10.00 H new ATOM 0 HG1 THR A 98 10.532 -10.986 -3.442 1.00 10.00 H new ATOM 0 HG21 THR A 98 10.361 -8.634 -3.108 1.00 10.00 H new ATOM 0 HG22 THR A 98 9.231 -7.745 -4.156 1.00 10.00 H new ATOM 0 HG23 THR A 98 8.606 -8.827 -2.889 1.00 10.00 H new ATOM 1212 N THR A 99 6.713 -11.292 -3.847 1.00 10.00 N ATOM 1213 CA THR A 99 5.658 -11.548 -2.881 1.00 10.00 C ATOM 1214 C THR A 99 6.166 -11.344 -1.458 1.00 10.00 C ATOM 1215 O THR A 99 5.384 -11.261 -0.510 1.00 10.00 O ATOM 1216 CB THR A 99 5.112 -12.977 -3.028 1.00 10.00 C ATOM 1217 OG1 THR A 99 6.133 -13.839 -3.553 1.00 10.00 O ATOM 1218 CG2 THR A 99 3.898 -13.000 -3.940 1.00 10.00 C ATOM 0 H THR A 99 7.267 -12.112 -4.096 1.00 10.00 H new ATOM 0 HA THR A 99 4.854 -10.840 -3.079 1.00 10.00 H new ATOM 0 HB THR A 99 4.810 -13.333 -2.043 1.00 10.00 H new ATOM 0 HG1 THR A 99 5.779 -14.748 -3.643 1.00 10.00 H new ATOM 0 HG21 THR A 99 3.529 -14.022 -4.029 1.00 10.00 H new ATOM 0 HG22 THR A 99 3.116 -12.367 -3.521 1.00 10.00 H new ATOM 0 HG23 THR A 99 4.176 -12.628 -4.926 1.00 10.00 H new ATOM 1226 N SER A 100 7.480 -11.261 -1.321 1.00 10.00 N ATOM 1227 CA SER A 100 8.105 -11.068 -0.025 1.00 10.00 C ATOM 1228 C SER A 100 8.341 -9.583 0.234 1.00 10.00 C ATOM 1229 O SER A 100 9.141 -8.946 -0.452 1.00 10.00 O ATOM 1230 CB SER A 100 9.430 -11.830 0.014 1.00 10.00 C ATOM 1231 OG SER A 100 9.409 -12.942 -0.866 1.00 10.00 O ATOM 0 H SER A 100 8.137 -11.325 -2.098 1.00 10.00 H new ATOM 0 HA SER A 100 7.445 -11.450 0.754 1.00 10.00 H new ATOM 0 HB2 SER A 100 10.245 -11.161 -0.261 1.00 10.00 H new ATOM 0 HB3 SER A 100 9.626 -12.171 1.030 1.00 10.00 H new ATOM 0 HG SER A 100 10.269 -13.410 -0.822 1.00 10.00 H new ATOM 1237 N VAL A 101 7.650 -9.032 1.226 1.00 10.00 N ATOM 1238 CA VAL A 101 7.792 -7.620 1.556 1.00 10.00 C ATOM 1239 C VAL A 101 9.221 -7.305 1.994 1.00 10.00 C ATOM 1240 O VAL A 101 9.747 -6.227 1.707 1.00 10.00 O ATOM 1241 CB VAL A 101 6.787 -7.181 2.648 1.00 10.00 C ATOM 1242 CG1 VAL A 101 7.138 -7.772 4.007 1.00 10.00 C ATOM 1243 CG2 VAL A 101 6.710 -5.666 2.720 1.00 10.00 C ATOM 0 H VAL A 101 6.989 -9.540 1.813 1.00 10.00 H new ATOM 0 HA VAL A 101 7.569 -7.054 0.652 1.00 10.00 H new ATOM 0 HB VAL A 101 5.806 -7.567 2.371 1.00 10.00 H new ATOM 0 HG11 VAL A 101 6.409 -7.441 4.747 1.00 10.00 H new ATOM 0 HG12 VAL A 101 7.123 -8.860 3.945 1.00 10.00 H new ATOM 0 HG13 VAL A 101 8.133 -7.439 4.303 1.00 10.00 H new ATOM 0 HG21 VAL A 101 5.999 -5.374 3.493 1.00 10.00 H new ATOM 0 HG22 VAL A 101 7.694 -5.263 2.961 1.00 10.00 H new ATOM 0 HG23 VAL A 101 6.382 -5.272 1.758 1.00 10.00 H new ATOM 1253 N GLN A 102 9.851 -8.268 2.660 1.00 10.00 N ATOM 1254 CA GLN A 102 11.218 -8.107 3.123 1.00 10.00 C ATOM 1255 C GLN A 102 12.159 -7.961 1.936 1.00 10.00 C ATOM 1256 O GLN A 102 13.085 -7.154 1.964 1.00 10.00 O ATOM 1257 CB GLN A 102 11.633 -9.290 3.997 1.00 10.00 C ATOM 1258 CG GLN A 102 10.952 -9.301 5.356 1.00 10.00 C ATOM 1259 CD GLN A 102 11.236 -10.564 6.149 1.00 10.00 C ATOM 1260 OE1 GLN A 102 11.414 -11.644 5.585 1.00 10.00 O ATOM 1261 NE2 GLN A 102 11.285 -10.438 7.465 1.00 10.00 N ATOM 0 H GLN A 102 9.432 -9.169 2.890 1.00 10.00 H new ATOM 0 HA GLN A 102 11.277 -7.202 3.727 1.00 10.00 H new ATOM 0 HB2 GLN A 102 11.401 -10.218 3.474 1.00 10.00 H new ATOM 0 HB3 GLN A 102 12.713 -9.266 4.140 1.00 10.00 H new ATOM 0 HG2 GLN A 102 11.283 -8.436 5.930 1.00 10.00 H new ATOM 0 HG3 GLN A 102 9.876 -9.199 5.218 1.00 10.00 H new ATOM 0 HE21 GLN A 102 11.132 -9.526 7.896 1.00 10.00 H new ATOM 0 HE22 GLN A 102 11.476 -11.253 8.049 1.00 10.00 H new ATOM 1270 N GLN A 103 11.903 -8.730 0.884 1.00 10.00 N ATOM 1271 CA GLN A 103 12.722 -8.668 -0.319 1.00 10.00 C ATOM 1272 C GLN A 103 12.440 -7.374 -1.076 1.00 10.00 C ATOM 1273 O GLN A 103 13.361 -6.717 -1.558 1.00 10.00 O ATOM 1274 CB GLN A 103 12.452 -9.871 -1.224 1.00 10.00 C ATOM 1275 CG GLN A 103 13.321 -9.898 -2.473 1.00 10.00 C ATOM 1276 CD GLN A 103 14.755 -10.296 -2.187 1.00 10.00 C ATOM 1277 OE1 GLN A 103 15.285 -10.046 -1.104 1.00 10.00 O ATOM 1278 NE2 GLN A 103 15.397 -10.915 -3.161 1.00 10.00 N ATOM 0 H GLN A 103 11.137 -9.402 0.840 1.00 10.00 H new ATOM 0 HA GLN A 103 13.770 -8.690 -0.022 1.00 10.00 H new ATOM 0 HB2 GLN A 103 12.617 -10.787 -0.656 1.00 10.00 H new ATOM 0 HB3 GLN A 103 11.403 -9.864 -1.521 1.00 10.00 H new ATOM 0 HG2 GLN A 103 12.892 -10.596 -3.192 1.00 10.00 H new ATOM 0 HG3 GLN A 103 13.309 -8.913 -2.939 1.00 10.00 H new ATOM 0 HE21 GLN A 103 14.923 -11.104 -4.044 1.00 10.00 H new ATOM 0 HE22 GLN A 103 16.366 -11.204 -3.030 1.00 10.00 H new ATOM 1287 N ALA A 104 11.163 -7.013 -1.160 1.00 10.00 N ATOM 1288 CA ALA A 104 10.746 -5.795 -1.849 1.00 10.00 C ATOM 1289 C ALA A 104 11.477 -4.580 -1.295 1.00 10.00 C ATOM 1290 O ALA A 104 12.070 -3.802 -2.045 1.00 10.00 O ATOM 1291 CB ALA A 104 9.240 -5.604 -1.729 1.00 10.00 C ATOM 0 H ALA A 104 10.395 -7.550 -0.757 1.00 10.00 H new ATOM 0 HA ALA A 104 11.003 -5.898 -2.903 1.00 10.00 H new ATOM 0 HB1 ALA A 104 8.946 -4.692 -2.248 1.00 10.00 H new ATOM 0 HB2 ALA A 104 8.728 -6.456 -2.176 1.00 10.00 H new ATOM 0 HB3 ALA A 104 8.966 -5.527 -0.677 1.00 10.00 H new ATOM 1297 N ALA A 105 11.448 -4.433 0.022 1.00 10.00 N ATOM 1298 CA ALA A 105 12.113 -3.318 0.676 1.00 10.00 C ATOM 1299 C ALA A 105 13.621 -3.381 0.462 1.00 10.00 C ATOM 1300 O ALA A 105 14.285 -2.353 0.345 1.00 10.00 O ATOM 1301 CB ALA A 105 11.787 -3.303 2.158 1.00 10.00 C ATOM 0 H ALA A 105 10.971 -5.072 0.657 1.00 10.00 H new ATOM 0 HA ALA A 105 11.746 -2.394 0.229 1.00 10.00 H new ATOM 0 HB1 ALA A 105 12.292 -2.462 2.633 1.00 10.00 H new ATOM 0 HB2 ALA A 105 10.710 -3.202 2.293 1.00 10.00 H new ATOM 0 HB3 ALA A 105 12.124 -4.234 2.614 1.00 10.00 H new ATOM 1307 N THR A 106 14.149 -4.594 0.387 1.00 10.00 N ATOM 1308 CA THR A 106 15.576 -4.803 0.178 1.00 10.00 C ATOM 1309 C THR A 106 15.989 -4.344 -1.218 1.00 10.00 C ATOM 1310 O THR A 106 16.974 -3.623 -1.383 1.00 10.00 O ATOM 1311 CB THR A 106 15.951 -6.285 0.379 1.00 10.00 C ATOM 1312 OG1 THR A 106 15.626 -6.687 1.718 1.00 10.00 O ATOM 1313 CG2 THR A 106 17.432 -6.520 0.124 1.00 10.00 C ATOM 0 H THR A 106 13.607 -5.454 0.468 1.00 10.00 H new ATOM 0 HA THR A 106 16.112 -4.207 0.916 1.00 10.00 H new ATOM 0 HB THR A 106 15.383 -6.879 -0.337 1.00 10.00 H new ATOM 0 HG1 THR A 106 14.682 -6.947 1.761 1.00 10.00 H new ATOM 0 HG21 THR A 106 17.664 -7.574 0.274 1.00 10.00 H new ATOM 0 HG22 THR A 106 17.674 -6.237 -0.900 1.00 10.00 H new ATOM 0 HG23 THR A 106 18.020 -5.917 0.816 1.00 10.00 H new ATOM 1321 N GLU A 107 15.224 -4.748 -2.218 1.00 10.00 N ATOM 1322 CA GLU A 107 15.509 -4.366 -3.590 1.00 10.00 C ATOM 1323 C GLU A 107 15.324 -2.863 -3.769 1.00 10.00 C ATOM 1324 O GLU A 107 16.113 -2.205 -4.445 1.00 10.00 O ATOM 1325 CB GLU A 107 14.611 -5.136 -4.552 1.00 10.00 C ATOM 1326 CG GLU A 107 14.827 -6.641 -4.499 1.00 10.00 C ATOM 1327 CD GLU A 107 14.519 -7.320 -5.812 1.00 10.00 C ATOM 1328 OE1 GLU A 107 15.356 -7.240 -6.738 1.00 10.00 O ATOM 1329 OE2 GLU A 107 13.447 -7.948 -5.926 1.00 10.00 O ATOM 0 H GLU A 107 14.401 -5.340 -2.105 1.00 10.00 H new ATOM 0 HA GLU A 107 16.546 -4.615 -3.815 1.00 10.00 H new ATOM 0 HB2 GLU A 107 13.569 -4.917 -4.320 1.00 10.00 H new ATOM 0 HB3 GLU A 107 14.792 -4.785 -5.568 1.00 10.00 H new ATOM 0 HG2 GLU A 107 15.861 -6.846 -4.222 1.00 10.00 H new ATOM 0 HG3 GLU A 107 14.198 -7.067 -3.718 1.00 10.00 H new ATOM 1336 N LEU A 108 14.284 -2.325 -3.142 1.00 10.00 N ATOM 1337 CA LEU A 108 13.999 -0.898 -3.214 1.00 10.00 C ATOM 1338 C LEU A 108 15.150 -0.082 -2.632 1.00 10.00 C ATOM 1339 O LEU A 108 15.631 0.852 -3.266 1.00 10.00 O ATOM 1340 CB LEU A 108 12.713 -0.560 -2.457 1.00 10.00 C ATOM 1341 CG LEU A 108 11.406 -0.862 -3.188 1.00 10.00 C ATOM 1342 CD1 LEU A 108 10.224 -0.563 -2.284 1.00 10.00 C ATOM 1343 CD2 LEU A 108 11.308 -0.044 -4.463 1.00 10.00 C ATOM 0 H LEU A 108 13.623 -2.858 -2.577 1.00 10.00 H new ATOM 0 HA LEU A 108 13.875 -0.643 -4.267 1.00 10.00 H new ATOM 0 HB2 LEU A 108 12.715 -1.109 -1.515 1.00 10.00 H new ATOM 0 HB3 LEU A 108 12.730 0.501 -2.208 1.00 10.00 H new ATOM 0 HG LEU A 108 11.392 -1.919 -3.453 1.00 10.00 H new ATOM 0 HD11 LEU A 108 9.297 -0.781 -2.814 1.00 10.00 H new ATOM 0 HD12 LEU A 108 10.285 -1.182 -1.389 1.00 10.00 H new ATOM 0 HD13 LEU A 108 10.240 0.489 -2.000 1.00 10.00 H new ATOM 0 HD21 LEU A 108 10.371 -0.272 -4.971 1.00 10.00 H new ATOM 0 HD22 LEU A 108 11.339 1.018 -4.217 1.00 10.00 H new ATOM 0 HD23 LEU A 108 12.144 -0.289 -5.118 1.00 10.00 H new ATOM 1355 N SER A 109 15.597 -0.450 -1.432 1.00 10.00 N ATOM 1356 CA SER A 109 16.683 0.266 -0.767 1.00 10.00 C ATOM 1357 C SER A 109 17.990 0.156 -1.542 1.00 10.00 C ATOM 1358 O SER A 109 18.881 0.986 -1.381 1.00 10.00 O ATOM 1359 CB SER A 109 16.881 -0.249 0.660 1.00 10.00 C ATOM 1360 OG SER A 109 16.801 -1.660 0.720 1.00 10.00 O ATOM 0 H SER A 109 15.224 -1.238 -0.902 1.00 10.00 H new ATOM 0 HA SER A 109 16.398 1.317 -0.731 1.00 10.00 H new ATOM 0 HB2 SER A 109 17.852 0.077 1.034 1.00 10.00 H new ATOM 0 HB3 SER A 109 16.125 0.187 1.313 1.00 10.00 H new ATOM 0 HG SER A 109 15.876 -1.928 0.904 1.00 10.00 H new ATOM 1366 N ALA A 110 18.106 -0.865 -2.378 1.00 10.00 N ATOM 1367 CA ALA A 110 19.308 -1.057 -3.172 1.00 10.00 C ATOM 1368 C ALA A 110 19.379 -0.016 -4.286 1.00 10.00 C ATOM 1369 O ALA A 110 20.412 0.620 -4.497 1.00 10.00 O ATOM 1370 CB ALA A 110 19.351 -2.464 -3.750 1.00 10.00 C ATOM 0 H ALA A 110 17.384 -1.571 -2.523 1.00 10.00 H new ATOM 0 HA ALA A 110 20.175 -0.930 -2.523 1.00 10.00 H new ATOM 0 HB1 ALA A 110 20.259 -2.587 -4.341 1.00 10.00 H new ATOM 0 HB2 ALA A 110 19.345 -3.191 -2.938 1.00 10.00 H new ATOM 0 HB3 ALA A 110 18.480 -2.623 -4.386 1.00 10.00 H new ATOM 1376 N VAL A 111 18.262 0.163 -4.983 1.00 10.00 N ATOM 1377 CA VAL A 111 18.179 1.129 -6.074 1.00 10.00 C ATOM 1378 C VAL A 111 18.082 2.545 -5.521 1.00 10.00 C ATOM 1379 O VAL A 111 18.808 3.451 -5.932 1.00 10.00 O ATOM 1380 CB VAL A 111 16.941 0.867 -6.964 1.00 10.00 C ATOM 1381 CG1 VAL A 111 17.052 1.615 -8.280 1.00 10.00 C ATOM 1382 CG2 VAL A 111 16.740 -0.621 -7.210 1.00 10.00 C ATOM 0 H VAL A 111 17.398 -0.351 -4.811 1.00 10.00 H new ATOM 0 HA VAL A 111 19.083 1.019 -6.673 1.00 10.00 H new ATOM 0 HB VAL A 111 16.067 1.239 -6.429 1.00 10.00 H new ATOM 0 HG11 VAL A 111 16.170 1.415 -8.888 1.00 10.00 H new ATOM 0 HG12 VAL A 111 17.123 2.685 -8.085 1.00 10.00 H new ATOM 0 HG13 VAL A 111 17.943 1.283 -8.813 1.00 10.00 H new ATOM 0 HG21 VAL A 111 15.862 -0.771 -7.839 1.00 10.00 H new ATOM 0 HG22 VAL A 111 17.618 -1.029 -7.710 1.00 10.00 H new ATOM 0 HG23 VAL A 111 16.595 -1.131 -6.258 1.00 10.00 H new ATOM 1392 N TYR A 112 17.192 2.707 -4.558 1.00 10.00 N ATOM 1393 CA TYR A 112 16.931 3.991 -3.922 1.00 10.00 C ATOM 1394 C TYR A 112 18.127 4.535 -3.153 1.00 10.00 C ATOM 1395 O TYR A 112 18.175 5.726 -2.848 1.00 10.00 O ATOM 1396 CB TYR A 112 15.706 3.893 -3.022 1.00 10.00 C ATOM 1397 CG TYR A 112 14.416 4.146 -3.773 1.00 10.00 C ATOM 1398 CD1 TYR A 112 14.322 3.863 -5.132 1.00 10.00 C ATOM 1399 CD2 TYR A 112 13.301 4.676 -3.139 1.00 10.00 C ATOM 1400 CE1 TYR A 112 13.158 4.097 -5.833 1.00 10.00 C ATOM 1401 CE2 TYR A 112 12.133 4.914 -3.839 1.00 10.00 C ATOM 1402 CZ TYR A 112 12.068 4.622 -5.182 1.00 10.00 C ATOM 1403 OH TYR A 112 10.906 4.865 -5.879 1.00 10.00 O ATOM 0 H TYR A 112 16.623 1.944 -4.190 1.00 10.00 H new ATOM 0 HA TYR A 112 16.736 4.705 -4.722 1.00 10.00 H new ATOM 0 HB2 TYR A 112 15.671 2.903 -2.568 1.00 10.00 H new ATOM 0 HB3 TYR A 112 15.797 4.613 -2.209 1.00 10.00 H new ATOM 0 HD1 TYR A 112 15.177 3.452 -5.648 1.00 10.00 H new ATOM 0 HD2 TYR A 112 13.346 4.906 -2.085 1.00 10.00 H new ATOM 0 HE1 TYR A 112 13.103 3.869 -6.887 1.00 10.00 H new ATOM 0 HE2 TYR A 112 11.273 5.328 -3.333 1.00 10.00 H new ATOM 0 HH TYR A 112 10.232 5.235 -5.272 1.00 10.00 H new ATOM 1413 N ALA A 113 19.057 3.660 -2.781 1.00 10.00 N ATOM 1414 CA ALA A 113 20.252 4.076 -2.045 1.00 10.00 C ATOM 1415 C ALA A 113 20.979 5.225 -2.745 1.00 10.00 C ATOM 1416 O ALA A 113 21.633 6.040 -2.098 1.00 10.00 O ATOM 1417 CB ALA A 113 21.200 2.904 -1.861 1.00 10.00 C ATOM 0 H ALA A 113 19.009 2.660 -2.976 1.00 10.00 H new ATOM 0 HA ALA A 113 19.922 4.430 -1.068 1.00 10.00 H new ATOM 0 HB1 ALA A 113 22.082 3.233 -1.312 1.00 10.00 H new ATOM 0 HB2 ALA A 113 20.698 2.114 -1.302 1.00 10.00 H new ATOM 0 HB3 ALA A 113 21.501 2.523 -2.837 1.00 10.00 H new ATOM 1423 N ALA A 114 20.853 5.291 -4.066 1.00 10.00 N ATOM 1424 CA ALA A 114 21.487 6.347 -4.844 1.00 10.00 C ATOM 1425 C ALA A 114 20.728 7.664 -4.704 1.00 10.00 C ATOM 1426 O ALA A 114 21.287 8.745 -4.895 1.00 10.00 O ATOM 1427 CB ALA A 114 21.572 5.942 -6.303 1.00 10.00 C ATOM 0 H ALA A 114 20.316 4.624 -4.620 1.00 10.00 H new ATOM 0 HA ALA A 114 22.495 6.496 -4.457 1.00 10.00 H new ATOM 0 HB1 ALA A 114 22.048 6.739 -6.875 1.00 10.00 H new ATOM 0 HB2 ALA A 114 22.161 5.029 -6.394 1.00 10.00 H new ATOM 0 HB3 ALA A 114 20.569 5.766 -6.691 1.00 10.00 H new ATOM 1433 N GLN A 115 19.448 7.562 -4.365 1.00 10.00 N ATOM 1434 CA GLN A 115 18.594 8.730 -4.184 1.00 10.00 C ATOM 1435 C GLN A 115 18.651 9.207 -2.740 1.00 10.00 C ATOM 1436 O GLN A 115 18.105 10.254 -2.395 1.00 10.00 O ATOM 1437 CB GLN A 115 17.140 8.404 -4.552 1.00 10.00 C ATOM 1438 CG GLN A 115 16.826 8.548 -6.034 1.00 10.00 C ATOM 1439 CD GLN A 115 17.439 7.452 -6.882 1.00 10.00 C ATOM 1440 OE1 GLN A 115 17.610 6.316 -6.437 1.00 10.00 O ATOM 1441 NE2 GLN A 115 17.773 7.788 -8.113 1.00 10.00 N ATOM 0 H GLN A 115 18.975 6.672 -4.209 1.00 10.00 H new ATOM 0 HA GLN A 115 18.959 9.518 -4.843 1.00 10.00 H new ATOM 0 HB2 GLN A 115 16.919 7.383 -4.242 1.00 10.00 H new ATOM 0 HB3 GLN A 115 16.478 9.059 -3.986 1.00 10.00 H new ATOM 0 HG2 GLN A 115 15.745 8.544 -6.172 1.00 10.00 H new ATOM 0 HG3 GLN A 115 17.188 9.515 -6.384 1.00 10.00 H new ATOM 0 HE21 GLN A 115 17.614 8.740 -8.443 1.00 10.00 H new ATOM 0 HE22 GLN A 115 18.190 7.096 -8.735 1.00 10.00 H new ATOM 1450 N GLY A 116 19.318 8.429 -1.898 1.00 10.00 N ATOM 1451 CA GLY A 116 19.431 8.780 -0.499 1.00 10.00 C ATOM 1452 C GLY A 116 18.287 8.223 0.319 1.00 10.00 C ATOM 1453 O GLY A 116 17.923 8.779 1.355 1.00 10.00 O ATOM 0 H GLY A 116 19.783 7.560 -2.161 1.00 10.00 H new ATOM 0 HA2 GLY A 116 20.375 8.403 -0.106 1.00 10.00 H new ATOM 0 HA3 GLY A 116 19.454 9.865 -0.398 1.00 10.00 H new ATOM 1457 N VAL A 117 17.718 7.116 -0.143 1.00 10.00 N ATOM 1458 CA VAL A 117 16.602 6.484 0.544 1.00 10.00 C ATOM 1459 C VAL A 117 16.888 5.005 0.785 1.00 10.00 C ATOM 1460 O VAL A 117 17.364 4.302 -0.104 1.00 10.00 O ATOM 1461 CB VAL A 117 15.288 6.625 -0.260 1.00 10.00 C ATOM 1462 CG1 VAL A 117 14.147 5.880 0.420 1.00 10.00 C ATOM 1463 CG2 VAL A 117 14.925 8.091 -0.454 1.00 10.00 C ATOM 0 H VAL A 117 18.014 6.637 -0.994 1.00 10.00 H new ATOM 0 HA VAL A 117 16.482 6.993 1.500 1.00 10.00 H new ATOM 0 HB VAL A 117 15.450 6.178 -1.241 1.00 10.00 H new ATOM 0 HG11 VAL A 117 13.236 5.996 -0.167 1.00 10.00 H new ATOM 0 HG12 VAL A 117 14.397 4.822 0.496 1.00 10.00 H new ATOM 0 HG13 VAL A 117 13.990 6.288 1.418 1.00 10.00 H new ATOM 0 HG21 VAL A 117 13.998 8.164 -1.022 1.00 10.00 H new ATOM 0 HG22 VAL A 117 14.793 8.565 0.519 1.00 10.00 H new ATOM 0 HG23 VAL A 117 15.724 8.595 -0.998 1.00 10.00 H new ATOM 1473 N SER A 118 16.611 4.543 1.989 1.00 10.00 N ATOM 1474 CA SER A 118 16.829 3.155 2.341 1.00 10.00 C ATOM 1475 C SER A 118 15.641 2.607 3.127 1.00 10.00 C ATOM 1476 O SER A 118 15.440 2.939 4.298 1.00 10.00 O ATOM 1477 CB SER A 118 18.130 3.019 3.131 1.00 10.00 C ATOM 1478 OG SER A 118 19.248 3.086 2.257 1.00 10.00 O ATOM 0 H SER A 118 16.232 5.114 2.744 1.00 10.00 H new ATOM 0 HA SER A 118 16.919 2.565 1.429 1.00 10.00 H new ATOM 0 HB2 SER A 118 18.195 3.811 3.877 1.00 10.00 H new ATOM 0 HB3 SER A 118 18.138 2.072 3.671 1.00 10.00 H new ATOM 0 HG SER A 118 20.030 2.692 2.696 1.00 10.00 H new ATOM 1484 N VAL A 119 14.836 1.794 2.454 1.00 10.00 N ATOM 1485 CA VAL A 119 13.659 1.188 3.062 1.00 10.00 C ATOM 1486 C VAL A 119 13.954 -0.231 3.537 1.00 10.00 C ATOM 1487 O VAL A 119 14.802 -0.925 2.974 1.00 10.00 O ATOM 1488 CB VAL A 119 12.470 1.145 2.078 1.00 10.00 C ATOM 1489 CG1 VAL A 119 11.911 2.534 1.846 1.00 10.00 C ATOM 1490 CG2 VAL A 119 12.881 0.521 0.754 1.00 10.00 C ATOM 0 H VAL A 119 14.980 1.538 1.477 1.00 10.00 H new ATOM 0 HA VAL A 119 13.393 1.811 3.916 1.00 10.00 H new ATOM 0 HB VAL A 119 11.692 0.526 2.526 1.00 10.00 H new ATOM 0 HG11 VAL A 119 11.074 2.478 1.149 1.00 10.00 H new ATOM 0 HG12 VAL A 119 11.568 2.951 2.793 1.00 10.00 H new ATOM 0 HG13 VAL A 119 12.688 3.174 1.429 1.00 10.00 H new ATOM 0 HG21 VAL A 119 12.025 0.503 0.079 1.00 10.00 H new ATOM 0 HG22 VAL A 119 13.683 1.109 0.308 1.00 10.00 H new ATOM 0 HG23 VAL A 119 13.230 -0.497 0.925 1.00 10.00 H new ATOM 1500 N SER A 120 13.260 -0.647 4.584 1.00 10.00 N ATOM 1501 CA SER A 120 13.418 -1.979 5.152 1.00 10.00 C ATOM 1502 C SER A 120 12.142 -2.368 5.892 1.00 10.00 C ATOM 1503 O SER A 120 11.253 -1.540 6.068 1.00 10.00 O ATOM 1504 CB SER A 120 14.617 -2.011 6.107 1.00 10.00 C ATOM 1505 OG SER A 120 15.776 -1.482 5.484 1.00 10.00 O ATOM 0 H SER A 120 12.570 -0.071 5.066 1.00 10.00 H new ATOM 0 HA SER A 120 13.600 -2.693 4.349 1.00 10.00 H new ATOM 0 HB2 SER A 120 14.387 -1.436 7.004 1.00 10.00 H new ATOM 0 HB3 SER A 120 14.806 -3.036 6.425 1.00 10.00 H new ATOM 0 HG SER A 120 16.527 -1.511 6.112 1.00 10.00 H new ATOM 1511 N VAL A 121 12.042 -3.619 6.310 1.00 10.00 N ATOM 1512 CA VAL A 121 10.873 -4.084 7.041 1.00 10.00 C ATOM 1513 C VAL A 121 11.308 -4.606 8.399 1.00 10.00 C ATOM 1514 O VAL A 121 12.240 -5.403 8.492 1.00 10.00 O ATOM 1515 CB VAL A 121 10.109 -5.197 6.293 1.00 10.00 C ATOM 1516 CG1 VAL A 121 8.689 -5.326 6.823 1.00 10.00 C ATOM 1517 CG2 VAL A 121 10.113 -4.956 4.794 1.00 10.00 C ATOM 0 H VAL A 121 12.756 -4.331 6.156 1.00 10.00 H new ATOM 0 HA VAL A 121 10.196 -3.236 7.147 1.00 10.00 H new ATOM 0 HB VAL A 121 10.626 -6.139 6.476 1.00 10.00 H new ATOM 0 HG11 VAL A 121 8.169 -6.116 6.282 1.00 10.00 H new ATOM 0 HG12 VAL A 121 8.718 -5.572 7.885 1.00 10.00 H new ATOM 0 HG13 VAL A 121 8.161 -4.383 6.683 1.00 10.00 H new ATOM 0 HG21 VAL A 121 9.567 -5.757 4.295 1.00 10.00 H new ATOM 0 HG22 VAL A 121 9.634 -4.001 4.578 1.00 10.00 H new ATOM 0 HG23 VAL A 121 11.141 -4.937 4.431 1.00 10.00 H new ATOM 1527 N SER A 122 10.659 -4.145 9.451 1.00 10.00 N ATOM 1528 CA SER A 122 11.006 -4.569 10.792 1.00 10.00 C ATOM 1529 C SER A 122 9.770 -4.659 11.681 1.00 10.00 C ATOM 1530 O SER A 122 9.084 -3.661 11.908 1.00 10.00 O ATOM 1531 CB SER A 122 12.029 -3.596 11.385 1.00 10.00 C ATOM 1532 OG SER A 122 13.166 -3.484 10.538 1.00 10.00 O ATOM 0 H SER A 122 9.889 -3.477 9.402 1.00 10.00 H new ATOM 0 HA SER A 122 11.444 -5.566 10.741 1.00 10.00 H new ATOM 0 HB2 SER A 122 11.571 -2.616 11.519 1.00 10.00 H new ATOM 0 HB3 SER A 122 12.337 -3.941 12.372 1.00 10.00 H new ATOM 0 HG SER A 122 13.807 -2.857 10.933 1.00 10.00 H new ATOM 1538 N ALA A 123 9.487 -5.874 12.151 1.00 10.00 N ATOM 1539 CA ALA A 123 8.351 -6.147 13.032 1.00 10.00 C ATOM 1540 C ALA A 123 7.020 -5.795 12.371 1.00 10.00 C ATOM 1541 O ALA A 123 6.194 -5.081 12.945 1.00 10.00 O ATOM 1542 CB ALA A 123 8.509 -5.410 14.353 1.00 10.00 C ATOM 0 H ALA A 123 10.042 -6.701 11.930 1.00 10.00 H new ATOM 0 HA ALA A 123 8.341 -7.219 13.230 1.00 10.00 H new ATOM 0 HB1 ALA A 123 7.654 -5.626 14.994 1.00 10.00 H new ATOM 0 HB2 ALA A 123 9.424 -5.738 14.845 1.00 10.00 H new ATOM 0 HB3 ALA A 123 8.562 -4.337 14.167 1.00 10.00 H new ATOM 1548 N ASN A 124 6.835 -6.304 11.152 1.00 10.00 N ATOM 1549 CA ASN A 124 5.612 -6.087 10.367 1.00 10.00 C ATOM 1550 C ASN A 124 5.371 -4.602 10.111 1.00 10.00 C ATOM 1551 O ASN A 124 4.235 -4.157 9.926 1.00 10.00 O ATOM 1552 CB ASN A 124 4.392 -6.699 11.064 1.00 10.00 C ATOM 1553 CG ASN A 124 3.326 -7.135 10.075 1.00 10.00 C ATOM 1554 OD1 ASN A 124 3.634 -7.570 8.965 1.00 10.00 O ATOM 1555 ND2 ASN A 124 2.067 -7.023 10.467 1.00 10.00 N ATOM 0 H ASN A 124 7.530 -6.881 10.677 1.00 10.00 H new ATOM 0 HA ASN A 124 5.754 -6.585 9.408 1.00 10.00 H new ATOM 0 HB2 ASN A 124 4.707 -7.557 11.658 1.00 10.00 H new ATOM 0 HB3 ASN A 124 3.968 -5.971 11.756 1.00 10.00 H new ATOM 0 HD21 ASN A 124 1.311 -7.302 9.841 1.00 10.00 H new ATOM 0 HD22 ASN A 124 1.852 -6.658 11.395 1.00 10.00 H new ATOM 1562 N LYS A 125 6.444 -3.837 10.120 1.00 10.00 N ATOM 1563 CA LYS A 125 6.374 -2.408 9.881 1.00 10.00 C ATOM 1564 C LYS A 125 7.421 -2.021 8.854 1.00 10.00 C ATOM 1565 O LYS A 125 8.551 -2.507 8.903 1.00 10.00 O ATOM 1566 CB LYS A 125 6.606 -1.636 11.185 1.00 10.00 C ATOM 1567 CG LYS A 125 6.391 -0.135 11.059 1.00 10.00 C ATOM 1568 CD LYS A 125 6.569 0.565 12.396 1.00 10.00 C ATOM 1569 CE LYS A 125 5.767 1.853 12.462 1.00 10.00 C ATOM 1570 NZ LYS A 125 5.706 2.399 13.845 1.00 10.00 N ATOM 0 H LYS A 125 7.387 -4.186 10.293 1.00 10.00 H new ATOM 0 HA LYS A 125 5.383 -2.156 9.504 1.00 10.00 H new ATOM 0 HB2 LYS A 125 5.936 -2.026 11.951 1.00 10.00 H new ATOM 0 HB3 LYS A 125 7.624 -1.820 11.528 1.00 10.00 H new ATOM 0 HG2 LYS A 125 7.095 0.275 10.335 1.00 10.00 H new ATOM 0 HG3 LYS A 125 5.390 0.060 10.675 1.00 10.00 H new ATOM 0 HD2 LYS A 125 6.257 -0.101 13.201 1.00 10.00 H new ATOM 0 HD3 LYS A 125 7.625 0.784 12.555 1.00 10.00 H new ATOM 0 HE2 LYS A 125 6.214 2.593 11.799 1.00 10.00 H new ATOM 0 HE3 LYS A 125 4.756 1.670 12.099 1.00 10.00 H new ATOM 0 HZ1 LYS A 125 5.150 3.278 13.847 1.00 10.00 H new ATOM 0 HZ2 LYS A 125 5.256 1.703 14.473 1.00 10.00 H new ATOM 0 HZ3 LYS A 125 6.669 2.598 14.182 1.00 10.00 H new ATOM 1584 N LEU A 126 7.052 -1.163 7.925 1.00 10.00 N ATOM 1585 CA LEU A 126 7.983 -0.721 6.907 1.00 10.00 C ATOM 1586 C LEU A 126 8.745 0.487 7.421 1.00 10.00 C ATOM 1587 O LEU A 126 8.153 1.505 7.786 1.00 10.00 O ATOM 1588 CB LEU A 126 7.247 -0.389 5.609 1.00 10.00 C ATOM 1589 CG LEU A 126 6.604 -1.584 4.902 1.00 10.00 C ATOM 1590 CD1 LEU A 126 5.775 -1.114 3.716 1.00 10.00 C ATOM 1591 CD2 LEU A 126 7.668 -2.568 4.440 1.00 10.00 C ATOM 0 H LEU A 126 6.118 -0.759 7.854 1.00 10.00 H new ATOM 0 HA LEU A 126 8.688 -1.523 6.689 1.00 10.00 H new ATOM 0 HB2 LEU A 126 6.471 0.345 5.827 1.00 10.00 H new ATOM 0 HB3 LEU A 126 7.949 0.084 4.923 1.00 10.00 H new ATOM 0 HG LEU A 126 5.948 -2.089 5.611 1.00 10.00 H new ATOM 0 HD11 LEU A 126 5.324 -1.975 3.223 1.00 10.00 H new ATOM 0 HD12 LEU A 126 4.990 -0.443 4.064 1.00 10.00 H new ATOM 0 HD13 LEU A 126 6.416 -0.587 3.010 1.00 10.00 H new ATOM 0 HD21 LEU A 126 7.191 -3.411 3.940 1.00 10.00 H new ATOM 0 HD22 LEU A 126 8.347 -2.071 3.747 1.00 10.00 H new ATOM 0 HD23 LEU A 126 8.229 -2.928 5.302 1.00 10.00 H new ATOM 1603 N LEU A 127 10.057 0.369 7.453 1.00 10.00 N ATOM 1604 CA LEU A 127 10.907 1.434 7.942 1.00 10.00 C ATOM 1605 C LEU A 127 11.568 2.150 6.787 1.00 10.00 C ATOM 1606 O LEU A 127 12.341 1.559 6.033 1.00 10.00 O ATOM 1607 CB LEU A 127 11.983 0.882 8.887 1.00 10.00 C ATOM 1608 CG LEU A 127 11.630 0.884 10.380 1.00 10.00 C ATOM 1609 CD1 LEU A 127 11.362 2.298 10.872 1.00 10.00 C ATOM 1610 CD2 LEU A 127 10.434 -0.019 10.656 1.00 10.00 C ATOM 0 H LEU A 127 10.561 -0.462 7.143 1.00 10.00 H new ATOM 0 HA LEU A 127 10.283 2.138 8.493 1.00 10.00 H new ATOM 0 HB2 LEU A 127 12.210 -0.141 8.589 1.00 10.00 H new ATOM 0 HB3 LEU A 127 12.894 1.464 8.748 1.00 10.00 H new ATOM 0 HG LEU A 127 12.486 0.491 10.929 1.00 10.00 H new ATOM 0 HD11 LEU A 127 11.114 2.273 11.933 1.00 10.00 H new ATOM 0 HD12 LEU A 127 12.251 2.910 10.721 1.00 10.00 H new ATOM 0 HD13 LEU A 127 10.529 2.725 10.314 1.00 10.00 H new ATOM 0 HD21 LEU A 127 10.203 -0.001 11.721 1.00 10.00 H new ATOM 0 HD22 LEU A 127 9.572 0.336 10.091 1.00 10.00 H new ATOM 0 HD23 LEU A 127 10.671 -1.039 10.353 1.00 10.00 H new ATOM 1622 N VAL A 128 11.239 3.411 6.628 1.00 10.00 N ATOM 1623 CA VAL A 128 11.826 4.213 5.579 1.00 10.00 C ATOM 1624 C VAL A 128 12.779 5.208 6.209 1.00 10.00 C ATOM 1625 O VAL A 128 12.363 6.059 6.995 1.00 10.00 O ATOM 1626 CB VAL A 128 10.750 4.976 4.776 1.00 10.00 C ATOM 1627 CG1 VAL A 128 11.343 5.562 3.507 1.00 10.00 C ATOM 1628 CG2 VAL A 128 9.574 4.068 4.455 1.00 10.00 C ATOM 0 H VAL A 128 10.566 3.905 7.214 1.00 10.00 H new ATOM 0 HA VAL A 128 12.352 3.552 4.890 1.00 10.00 H new ATOM 0 HB VAL A 128 10.384 5.799 5.390 1.00 10.00 H new ATOM 0 HG11 VAL A 128 10.568 6.095 2.956 1.00 10.00 H new ATOM 0 HG12 VAL A 128 12.145 6.253 3.766 1.00 10.00 H new ATOM 0 HG13 VAL A 128 11.742 4.759 2.887 1.00 10.00 H new ATOM 0 HG21 VAL A 128 8.828 4.626 3.889 1.00 10.00 H new ATOM 0 HG22 VAL A 128 9.920 3.220 3.863 1.00 10.00 H new ATOM 0 HG23 VAL A 128 9.130 3.706 5.382 1.00 10.00 H new ATOM 1638 N GLN A 129 14.050 5.115 5.860 1.00 10.00 N ATOM 1639 CA GLN A 129 15.053 5.999 6.425 1.00 10.00 C ATOM 1640 C GLN A 129 16.015 6.471 5.344 1.00 10.00 C ATOM 1641 O GLN A 129 16.387 5.703 4.460 1.00 10.00 O ATOM 1642 CB GLN A 129 15.814 5.276 7.543 1.00 10.00 C ATOM 1643 CG GLN A 129 14.903 4.726 8.633 1.00 10.00 C ATOM 1644 CD GLN A 129 15.605 3.775 9.580 1.00 10.00 C ATOM 1645 OE1 GLN A 129 16.563 3.097 9.209 1.00 10.00 O ATOM 1646 NE2 GLN A 129 15.116 3.700 10.807 1.00 10.00 N ATOM 0 H GLN A 129 14.411 4.437 5.189 1.00 10.00 H new ATOM 0 HA GLN A 129 14.557 6.874 6.846 1.00 10.00 H new ATOM 0 HB2 GLN A 129 16.388 4.456 7.111 1.00 10.00 H new ATOM 0 HB3 GLN A 129 16.530 5.965 7.991 1.00 10.00 H new ATOM 0 HG2 GLN A 129 14.490 5.557 9.205 1.00 10.00 H new ATOM 0 HG3 GLN A 129 14.063 4.210 8.168 1.00 10.00 H new ATOM 0 HE21 GLN A 129 14.320 4.279 11.075 1.00 10.00 H new ATOM 0 HE22 GLN A 129 15.535 3.063 11.485 1.00 10.00 H new ATOM 1655 N PRO A 130 16.405 7.750 5.381 1.00 10.00 N ATOM 1656 CA PRO A 130 17.325 8.323 4.404 1.00 10.00 C ATOM 1657 C PRO A 130 18.776 7.962 4.702 1.00 10.00 C ATOM 1658 O PRO A 130 19.132 7.677 5.846 1.00 10.00 O ATOM 1659 CB PRO A 130 17.102 9.829 4.563 1.00 10.00 C ATOM 1660 CG PRO A 130 16.716 9.997 5.991 1.00 10.00 C ATOM 1661 CD PRO A 130 15.977 8.742 6.382 1.00 10.00 C ATOM 0 HA PRO A 130 17.142 7.954 3.395 1.00 10.00 H new ATOM 0 HB2 PRO A 130 18.005 10.392 4.327 1.00 10.00 H new ATOM 0 HB3 PRO A 130 16.319 10.188 3.895 1.00 10.00 H new ATOM 0 HG2 PRO A 130 17.597 10.140 6.617 1.00 10.00 H new ATOM 0 HG3 PRO A 130 16.085 10.876 6.122 1.00 10.00 H new ATOM 0 HD2 PRO A 130 16.234 8.426 7.393 1.00 10.00 H new ATOM 0 HD3 PRO A 130 14.897 8.891 6.360 1.00 10.00 H new ATOM 1669 N VAL A 131 19.601 7.959 3.671 1.00 10.00 N ATOM 1670 CA VAL A 131 21.012 7.651 3.832 1.00 10.00 C ATOM 1671 C VAL A 131 21.864 8.816 3.329 1.00 10.00 C ATOM 1672 O VAL A 131 21.491 9.490 2.368 1.00 10.00 O ATOM 1673 CB VAL A 131 21.425 6.350 3.107 1.00 10.00 C ATOM 1674 CG1 VAL A 131 21.061 5.145 3.956 1.00 10.00 C ATOM 1675 CG2 VAL A 131 20.786 6.249 1.730 1.00 10.00 C ATOM 0 H VAL A 131 19.319 8.166 2.713 1.00 10.00 H new ATOM 0 HA VAL A 131 21.183 7.496 4.897 1.00 10.00 H new ATOM 0 HB VAL A 131 22.505 6.371 2.963 1.00 10.00 H new ATOM 0 HG11 VAL A 131 21.355 4.232 3.438 1.00 10.00 H new ATOM 0 HG12 VAL A 131 21.581 5.203 4.912 1.00 10.00 H new ATOM 0 HG13 VAL A 131 19.985 5.133 4.128 1.00 10.00 H new ATOM 0 HG21 VAL A 131 21.099 5.322 1.251 1.00 10.00 H new ATOM 0 HG22 VAL A 131 19.701 6.256 1.831 1.00 10.00 H new ATOM 0 HG23 VAL A 131 21.099 7.096 1.120 1.00 10.00 H new