USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=26 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 80 SER OG : rot -130:sc= -0.574 USER MOD Set 1.2: A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 56 GLN : amide:sc= 0.984 K(o=0.94,f=-1.6!) USER MOD Set 2.2: A 97 SER OG : rot 180:sc= -0.0436 USER MOD Set 3.1: A 63 THR OG1 : rot -40:sc= 0.983 USER MOD Set 3.2: A 66 THR OG1 : rot -179:sc= 0.975 USER MOD Set 4.1: A 55 TYR OH : rot 24:sc= 1.27 USER MOD Set 4.2: A 75 SER OG : rot 90:sc= 2.27 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 58 THR OG1 : rot -71:sc= 0.957 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 176:sc= 1.25 (180deg=1.17) USER MOD Single : A 67 MET CE :methyl -126:sc= -1.13 (180deg=-4.69!) USER MOD Single : A 76 ASN : amide:sc= -0.104 K(o=-0.1,f=-1.3!) USER MOD Single : A 77 MET CE :methyl -178:sc= -0.613 (180deg=-0.619) USER MOD Single : A 78 GLN : amide:sc= -0.126 K(o=-0.13,f=-3.7!) USER MOD Single : A 81 TYR OH : rot -148:sc= -1.49! USER MOD Single : A 82 ASN : amide:sc= -0.0358 K(o=-0.036,f=-1.3!) USER MOD Single : A 85 SER OG : rot 180:sc= -0.143 USER MOD Single : A 87 TYR OH : rot 30:sc= -0.587 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.0818 USER MOD Single : A 94 SER OG : rot -77:sc= 0.683 USER MOD Single : A 98 THR OG1 : rot -130:sc= 0.00171 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.0853 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 GLN : amide:sc= 0.114 X(o=0.11,f=-0.0058) USER MOD Single : A 106 THR OG1 : rot 90:sc= 1.24 USER MOD Single : A 109 SER OG : rot 80:sc= 1.99 USER MOD Single : A 112 TYR OH : rot -130:sc= -0.173 USER MOD Single : A 115 GLN : amide:sc= -1.02 K(o=-1,f=-3.7!) USER MOD Single : A 118 SER OG : rot 17:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= -0.0417 USER MOD Single : A 122 SER OG : rot 180:sc= -0.0191 USER MOD Single : A 124 ASN : amide:sc= -0.0551 K(o=-0.055,f=-1.5!) USER MOD Single : A 129 GLN : amide:sc= -0.226 K(o=-0.23,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 510 N TYR A 53 0.729 -10.828 -1.506 1.00 10.00 N ATOM 511 CA TYR A 53 0.562 -9.644 -2.329 1.00 10.00 C ATOM 512 C TYR A 53 1.879 -9.254 -2.985 1.00 10.00 C ATOM 513 O TYR A 53 2.861 -8.967 -2.301 1.00 10.00 O ATOM 514 CB TYR A 53 0.028 -8.498 -1.464 1.00 10.00 C ATOM 515 CG TYR A 53 -0.135 -7.177 -2.183 1.00 10.00 C ATOM 516 CD1 TYR A 53 -0.797 -7.091 -3.403 1.00 10.00 C ATOM 517 CD2 TYR A 53 0.368 -6.012 -1.628 1.00 10.00 C ATOM 518 CE1 TYR A 53 -0.949 -5.877 -4.045 1.00 10.00 C ATOM 519 CE2 TYR A 53 0.218 -4.797 -2.261 1.00 10.00 C ATOM 520 CZ TYR A 53 -0.439 -4.733 -3.469 1.00 10.00 C ATOM 521 OH TYR A 53 -0.594 -3.521 -4.099 1.00 10.00 O ATOM 0 HA TYR A 53 -0.154 -9.858 -3.123 1.00 10.00 H new ATOM 0 HB2 TYR A 53 -0.938 -8.792 -1.053 1.00 10.00 H new ATOM 0 HB3 TYR A 53 0.703 -8.355 -0.620 1.00 10.00 H new ATOM 0 HD1 TYR A 53 -1.198 -7.986 -3.855 1.00 10.00 H new ATOM 0 HD2 TYR A 53 0.887 -6.056 -0.682 1.00 10.00 H new ATOM 0 HE1 TYR A 53 -1.464 -5.825 -4.993 1.00 10.00 H new ATOM 0 HE2 TYR A 53 0.614 -3.899 -1.811 1.00 10.00 H new ATOM 0 HH TYR A 53 -0.178 -2.816 -3.560 1.00 10.00 H new ATOM 531 N THR A 54 1.902 -9.268 -4.309 1.00 10.00 N ATOM 532 CA THR A 54 3.095 -8.901 -5.048 1.00 10.00 C ATOM 533 C THR A 54 3.314 -7.399 -4.967 1.00 10.00 C ATOM 534 O THR A 54 2.518 -6.609 -5.478 1.00 10.00 O ATOM 535 CB THR A 54 3.002 -9.326 -6.522 1.00 10.00 C ATOM 536 OG1 THR A 54 2.750 -10.737 -6.605 1.00 10.00 O ATOM 537 CG2 THR A 54 4.281 -8.983 -7.279 1.00 10.00 C ATOM 0 H THR A 54 1.107 -9.530 -4.892 1.00 10.00 H new ATOM 0 HA THR A 54 3.938 -9.424 -4.596 1.00 10.00 H new ATOM 0 HB THR A 54 2.179 -8.779 -6.982 1.00 10.00 H new ATOM 0 HG1 THR A 54 2.690 -11.004 -7.546 1.00 10.00 H new ATOM 0 HG21 THR A 54 4.184 -9.296 -8.318 1.00 10.00 H new ATOM 0 HG22 THR A 54 4.450 -7.907 -7.239 1.00 10.00 H new ATOM 0 HG23 THR A 54 5.124 -9.500 -6.822 1.00 10.00 H new ATOM 545 N TYR A 55 4.386 -7.028 -4.309 1.00 10.00 N ATOM 546 CA TYR A 55 4.738 -5.633 -4.130 1.00 10.00 C ATOM 547 C TYR A 55 5.431 -5.117 -5.380 1.00 10.00 C ATOM 548 O TYR A 55 6.525 -5.572 -5.724 1.00 10.00 O ATOM 549 CB TYR A 55 5.643 -5.482 -2.906 1.00 10.00 C ATOM 550 CG TYR A 55 5.081 -6.147 -1.669 1.00 10.00 C ATOM 551 CD1 TYR A 55 4.074 -5.538 -0.935 1.00 10.00 C ATOM 552 CD2 TYR A 55 5.545 -7.384 -1.243 1.00 10.00 C ATOM 553 CE1 TYR A 55 3.546 -6.141 0.189 1.00 10.00 C ATOM 554 CE2 TYR A 55 5.020 -7.994 -0.122 1.00 10.00 C ATOM 555 CZ TYR A 55 4.021 -7.369 0.590 1.00 10.00 C ATOM 556 OH TYR A 55 3.495 -7.977 1.706 1.00 10.00 O ATOM 0 H TYR A 55 5.041 -7.682 -3.881 1.00 10.00 H new ATOM 0 HA TYR A 55 3.835 -5.045 -3.966 1.00 10.00 H new ATOM 0 HB2 TYR A 55 6.621 -5.909 -3.129 1.00 10.00 H new ATOM 0 HB3 TYR A 55 5.797 -4.422 -2.704 1.00 10.00 H new ATOM 0 HD1 TYR A 55 3.697 -4.576 -1.248 1.00 10.00 H new ATOM 0 HD2 TYR A 55 6.330 -7.877 -1.798 1.00 10.00 H new ATOM 0 HE1 TYR A 55 2.764 -5.652 0.751 1.00 10.00 H new ATOM 0 HE2 TYR A 55 5.391 -8.957 0.195 1.00 10.00 H new ATOM 0 HH TYR A 55 2.591 -7.636 1.869 1.00 10.00 H new ATOM 566 N GLN A 56 4.784 -4.187 -6.069 1.00 10.00 N ATOM 567 CA GLN A 56 5.330 -3.620 -7.293 1.00 10.00 C ATOM 568 C GLN A 56 4.890 -2.167 -7.442 1.00 10.00 C ATOM 569 O GLN A 56 3.867 -1.763 -6.890 1.00 10.00 O ATOM 570 CB GLN A 56 4.850 -4.443 -8.499 1.00 10.00 C ATOM 571 CG GLN A 56 5.568 -4.114 -9.796 1.00 10.00 C ATOM 572 CD GLN A 56 4.821 -4.597 -11.025 1.00 10.00 C ATOM 573 OE1 GLN A 56 3.608 -4.807 -10.994 1.00 10.00 O ATOM 574 NE2 GLN A 56 5.532 -4.752 -12.127 1.00 10.00 N ATOM 0 H GLN A 56 3.876 -3.808 -5.799 1.00 10.00 H new ATOM 0 HA GLN A 56 6.419 -3.651 -7.247 1.00 10.00 H new ATOM 0 HB2 GLN A 56 4.984 -5.502 -8.280 1.00 10.00 H new ATOM 0 HB3 GLN A 56 3.781 -4.279 -8.636 1.00 10.00 H new ATOM 0 HG2 GLN A 56 5.709 -3.035 -9.864 1.00 10.00 H new ATOM 0 HG3 GLN A 56 6.560 -4.565 -9.780 1.00 10.00 H new ATOM 0 HE21 GLN A 56 6.535 -4.569 -12.117 1.00 10.00 H new ATOM 0 HE22 GLN A 56 5.078 -5.055 -12.989 1.00 10.00 H new ATOM 583 N ALA A 57 5.674 -1.380 -8.169 1.00 10.00 N ATOM 584 CA ALA A 57 5.343 0.019 -8.404 1.00 10.00 C ATOM 585 C ALA A 57 4.336 0.124 -9.539 1.00 10.00 C ATOM 586 O ALA A 57 4.678 -0.092 -10.705 1.00 10.00 O ATOM 587 CB ALA A 57 6.596 0.822 -8.726 1.00 10.00 C ATOM 0 H ALA A 57 6.543 -1.687 -8.606 1.00 10.00 H new ATOM 0 HA ALA A 57 4.901 0.433 -7.498 1.00 10.00 H new ATOM 0 HB1 ALA A 57 6.326 1.864 -8.898 1.00 10.00 H new ATOM 0 HB2 ALA A 57 7.292 0.761 -7.890 1.00 10.00 H new ATOM 0 HB3 ALA A 57 7.068 0.417 -9.621 1.00 10.00 H new ATOM 593 N THR A 58 3.101 0.450 -9.200 1.00 10.00 N ATOM 594 CA THR A 58 2.040 0.554 -10.188 1.00 10.00 C ATOM 595 C THR A 58 1.786 2.013 -10.566 1.00 10.00 C ATOM 596 O THR A 58 2.127 2.927 -9.808 1.00 10.00 O ATOM 597 CB THR A 58 0.734 -0.084 -9.662 1.00 10.00 C ATOM 598 OG1 THR A 58 0.146 0.750 -8.657 1.00 10.00 O ATOM 599 CG2 THR A 58 0.993 -1.471 -9.085 1.00 10.00 C ATOM 0 H THR A 58 2.807 0.648 -8.244 1.00 10.00 H new ATOM 0 HA THR A 58 2.363 0.013 -11.077 1.00 10.00 H new ATOM 0 HB THR A 58 0.047 -0.181 -10.503 1.00 10.00 H new ATOM 0 HG1 THR A 58 0.690 0.714 -7.843 1.00 10.00 H new ATOM 0 HG21 THR A 58 0.056 -1.895 -8.723 1.00 10.00 H new ATOM 0 HG22 THR A 58 1.408 -2.116 -9.860 1.00 10.00 H new ATOM 0 HG23 THR A 58 1.700 -1.395 -8.259 1.00 10.00 H new ATOM 607 N PRO A 59 1.186 2.258 -11.747 1.00 10.00 N ATOM 608 CA PRO A 59 0.882 3.616 -12.222 1.00 10.00 C ATOM 609 C PRO A 59 -0.175 4.310 -11.365 1.00 10.00 C ATOM 610 O PRO A 59 -0.430 5.504 -11.518 1.00 10.00 O ATOM 611 CB PRO A 59 0.357 3.391 -13.643 1.00 10.00 C ATOM 612 CG PRO A 59 -0.143 1.989 -13.643 1.00 10.00 C ATOM 613 CD PRO A 59 0.777 1.234 -12.733 1.00 10.00 C ATOM 0 HA PRO A 59 1.756 4.266 -12.176 1.00 10.00 H new ATOM 0 HB2 PRO A 59 -0.438 4.095 -13.888 1.00 10.00 H new ATOM 0 HB3 PRO A 59 1.145 3.531 -14.383 1.00 10.00 H new ATOM 0 HG2 PRO A 59 -1.173 1.940 -13.288 1.00 10.00 H new ATOM 0 HG3 PRO A 59 -0.132 1.569 -14.649 1.00 10.00 H new ATOM 0 HD2 PRO A 59 0.273 0.394 -12.256 1.00 10.00 H new ATOM 0 HD3 PRO A 59 1.633 0.828 -13.272 1.00 10.00 H new ATOM 621 N MET A 60 -0.780 3.557 -10.454 1.00 10.00 N ATOM 622 CA MET A 60 -1.803 4.097 -9.571 1.00 10.00 C ATOM 623 C MET A 60 -1.177 4.618 -8.286 1.00 10.00 C ATOM 624 O MET A 60 -1.848 5.239 -7.458 1.00 10.00 O ATOM 625 CB MET A 60 -2.849 3.029 -9.239 1.00 10.00 C ATOM 626 CG MET A 60 -3.629 2.531 -10.444 1.00 10.00 C ATOM 627 SD MET A 60 -4.592 3.832 -11.236 1.00 10.00 S ATOM 628 CE MET A 60 -5.312 2.928 -12.603 1.00 10.00 C ATOM 0 H MET A 60 -0.578 2.568 -10.308 1.00 10.00 H new ATOM 0 HA MET A 60 -2.293 4.922 -10.088 1.00 10.00 H new ATOM 0 HB2 MET A 60 -2.351 2.182 -8.766 1.00 10.00 H new ATOM 0 HB3 MET A 60 -3.549 3.435 -8.509 1.00 10.00 H new ATOM 0 HG2 MET A 60 -2.936 2.105 -11.169 1.00 10.00 H new ATOM 0 HG3 MET A 60 -4.297 1.728 -10.132 1.00 10.00 H new ATOM 0 HE1 MET A 60 -5.939 3.597 -13.192 1.00 10.00 H new ATOM 0 HE2 MET A 60 -4.518 2.527 -13.233 1.00 10.00 H new ATOM 0 HE3 MET A 60 -5.918 2.108 -12.218 1.00 10.00 H new ATOM 638 N ASP A 61 0.111 4.359 -8.120 1.00 10.00 N ATOM 639 CA ASP A 61 0.829 4.799 -6.932 1.00 10.00 C ATOM 640 C ASP A 61 1.375 6.200 -7.133 1.00 10.00 C ATOM 641 O ASP A 61 1.045 7.119 -6.384 1.00 10.00 O ATOM 642 CB ASP A 61 1.961 3.827 -6.602 1.00 10.00 C ATOM 643 CG ASP A 61 1.442 2.439 -6.285 1.00 10.00 C ATOM 644 OD1 ASP A 61 0.475 2.326 -5.501 1.00 10.00 O ATOM 645 OD2 ASP A 61 1.982 1.455 -6.835 1.00 10.00 O ATOM 0 H ASP A 61 0.681 3.846 -8.793 1.00 10.00 H new ATOM 0 HA ASP A 61 0.133 4.816 -6.093 1.00 10.00 H new ATOM 0 HB2 ASP A 61 2.650 3.773 -7.445 1.00 10.00 H new ATOM 0 HB3 ASP A 61 2.528 4.205 -5.751 1.00 10.00 H new ATOM 650 N GLY A 62 2.203 6.367 -8.150 1.00 10.00 N ATOM 651 CA GLY A 62 2.765 7.671 -8.431 1.00 10.00 C ATOM 652 C GLY A 62 4.016 7.969 -7.630 1.00 10.00 C ATOM 653 O GLY A 62 5.077 8.231 -8.203 1.00 10.00 O ATOM 0 H GLY A 62 2.496 5.625 -8.786 1.00 10.00 H new ATOM 0 HA2 GLY A 62 2.998 7.737 -9.494 1.00 10.00 H new ATOM 0 HA3 GLY A 62 2.016 8.435 -8.220 1.00 10.00 H new ATOM 657 N THR A 63 3.907 7.933 -6.309 1.00 10.00 N ATOM 658 CA THR A 63 5.051 8.220 -5.461 1.00 10.00 C ATOM 659 C THR A 63 5.378 7.053 -4.538 1.00 10.00 C ATOM 660 O THR A 63 4.590 6.115 -4.395 1.00 10.00 O ATOM 661 CB THR A 63 4.830 9.486 -4.599 1.00 10.00 C ATOM 662 OG1 THR A 63 3.852 9.231 -3.578 1.00 10.00 O ATOM 663 CG2 THR A 63 4.380 10.665 -5.450 1.00 10.00 C ATOM 0 H THR A 63 3.047 7.710 -5.807 1.00 10.00 H new ATOM 0 HA THR A 63 5.888 8.390 -6.138 1.00 10.00 H new ATOM 0 HB THR A 63 5.783 9.739 -4.135 1.00 10.00 H new ATOM 0 HG1 THR A 63 3.125 8.689 -3.950 1.00 10.00 H new ATOM 0 HG21 THR A 63 4.234 11.538 -4.814 1.00 10.00 H new ATOM 0 HG22 THR A 63 5.141 10.885 -6.199 1.00 10.00 H new ATOM 0 HG23 THR A 63 3.442 10.418 -5.948 1.00 10.00 H new ATOM 671 N LEU A 64 6.546 7.136 -3.912 1.00 10.00 N ATOM 672 CA LEU A 64 7.021 6.117 -2.988 1.00 10.00 C ATOM 673 C LEU A 64 6.080 5.990 -1.795 1.00 10.00 C ATOM 674 O LEU A 64 5.831 4.890 -1.307 1.00 10.00 O ATOM 675 CB LEU A 64 8.433 6.471 -2.510 1.00 10.00 C ATOM 676 CG LEU A 64 9.045 5.511 -1.490 1.00 10.00 C ATOM 677 CD1 LEU A 64 9.286 4.148 -2.116 1.00 10.00 C ATOM 678 CD2 LEU A 64 10.335 6.086 -0.928 1.00 10.00 C ATOM 0 H LEU A 64 7.192 7.916 -4.033 1.00 10.00 H new ATOM 0 HA LEU A 64 7.046 5.159 -3.507 1.00 10.00 H new ATOM 0 HB2 LEU A 64 9.090 6.517 -3.378 1.00 10.00 H new ATOM 0 HB3 LEU A 64 8.410 7.470 -2.074 1.00 10.00 H new ATOM 0 HG LEU A 64 8.341 5.385 -0.667 1.00 10.00 H new ATOM 0 HD11 LEU A 64 9.722 3.479 -1.374 1.00 10.00 H new ATOM 0 HD12 LEU A 64 8.339 3.735 -2.465 1.00 10.00 H new ATOM 0 HD13 LEU A 64 9.970 4.250 -2.959 1.00 10.00 H new ATOM 0 HD21 LEU A 64 10.758 5.390 -0.203 1.00 10.00 H new ATOM 0 HD22 LEU A 64 11.047 6.243 -1.738 1.00 10.00 H new ATOM 0 HD23 LEU A 64 10.126 7.037 -0.439 1.00 10.00 H new ATOM 690 N LYS A 65 5.550 7.120 -1.343 1.00 10.00 N ATOM 691 CA LYS A 65 4.639 7.134 -0.210 1.00 10.00 C ATOM 692 C LYS A 65 3.390 6.321 -0.529 1.00 10.00 C ATOM 693 O LYS A 65 3.053 5.389 0.194 1.00 10.00 O ATOM 694 CB LYS A 65 4.251 8.569 0.153 1.00 10.00 C ATOM 695 CG LYS A 65 4.280 8.863 1.648 1.00 10.00 C ATOM 696 CD LYS A 65 3.168 8.134 2.392 1.00 10.00 C ATOM 697 CE LYS A 65 3.189 8.456 3.880 1.00 10.00 C ATOM 698 NZ LYS A 65 1.989 7.941 4.591 1.00 10.00 N ATOM 0 H LYS A 65 5.737 8.038 -1.746 1.00 10.00 H new ATOM 0 HA LYS A 65 5.146 6.685 0.644 1.00 10.00 H new ATOM 0 HB2 LYS A 65 4.928 9.256 -0.355 1.00 10.00 H new ATOM 0 HB3 LYS A 65 3.249 8.770 -0.226 1.00 10.00 H new ATOM 0 HG2 LYS A 65 5.246 8.567 2.058 1.00 10.00 H new ATOM 0 HG3 LYS A 65 4.181 9.937 1.809 1.00 10.00 H new ATOM 0 HD2 LYS A 65 2.202 8.415 1.971 1.00 10.00 H new ATOM 0 HD3 LYS A 65 3.277 7.059 2.250 1.00 10.00 H new ATOM 0 HE2 LYS A 65 4.085 8.027 4.329 1.00 10.00 H new ATOM 0 HE3 LYS A 65 3.251 9.536 4.014 1.00 10.00 H new ATOM 0 HZ1 LYS A 65 2.083 8.126 5.610 1.00 10.00 H new ATOM 0 HZ2 LYS A 65 1.139 8.419 4.229 1.00 10.00 H new ATOM 0 HZ3 LYS A 65 1.904 6.917 4.432 1.00 10.00 H new ATOM 712 N THR A 66 2.727 6.669 -1.627 1.00 10.00 N ATOM 713 CA THR A 66 1.518 5.973 -2.050 1.00 10.00 C ATOM 714 C THR A 66 1.792 4.492 -2.289 1.00 10.00 C ATOM 715 O THR A 66 1.005 3.628 -1.897 1.00 10.00 O ATOM 716 CB THR A 66 0.963 6.594 -3.341 1.00 10.00 C ATOM 717 OG1 THR A 66 1.503 7.913 -3.512 1.00 10.00 O ATOM 718 CG2 THR A 66 -0.557 6.656 -3.304 1.00 10.00 C ATOM 0 H THR A 66 3.009 7.432 -2.242 1.00 10.00 H new ATOM 0 HA THR A 66 0.785 6.074 -1.250 1.00 10.00 H new ATOM 0 HB THR A 66 1.258 5.967 -4.182 1.00 10.00 H new ATOM 0 HG1 THR A 66 1.137 8.313 -4.328 1.00 10.00 H new ATOM 0 HG21 THR A 66 -0.926 7.099 -4.229 1.00 10.00 H new ATOM 0 HG22 THR A 66 -0.960 5.649 -3.199 1.00 10.00 H new ATOM 0 HG23 THR A 66 -0.876 7.264 -2.458 1.00 10.00 H new ATOM 726 N MET A 67 2.925 4.213 -2.920 1.00 10.00 N ATOM 727 CA MET A 67 3.328 2.845 -3.218 1.00 10.00 C ATOM 728 C MET A 67 3.495 2.037 -1.934 1.00 10.00 C ATOM 729 O MET A 67 2.892 0.977 -1.777 1.00 10.00 O ATOM 730 CB MET A 67 4.636 2.848 -4.008 1.00 10.00 C ATOM 731 CG MET A 67 4.979 1.509 -4.636 1.00 10.00 C ATOM 732 SD MET A 67 6.604 1.509 -5.415 1.00 10.00 S ATOM 733 CE MET A 67 7.668 1.555 -3.978 1.00 10.00 C ATOM 0 H MET A 67 3.586 4.922 -3.237 1.00 10.00 H new ATOM 0 HA MET A 67 2.547 2.378 -3.818 1.00 10.00 H new ATOM 0 HB2 MET A 67 4.573 3.601 -4.794 1.00 10.00 H new ATOM 0 HB3 MET A 67 5.448 3.146 -3.345 1.00 10.00 H new ATOM 0 HG2 MET A 67 4.946 0.733 -3.871 1.00 10.00 H new ATOM 0 HG3 MET A 67 4.223 1.256 -5.379 1.00 10.00 H new ATOM 0 HE1 MET A 67 8.360 2.392 -4.065 1.00 10.00 H new ATOM 0 HE2 MET A 67 7.062 1.677 -3.080 1.00 10.00 H new ATOM 0 HE3 MET A 67 8.231 0.624 -3.912 1.00 10.00 H new ATOM 743 N LEU A 68 4.295 2.558 -1.008 1.00 10.00 N ATOM 744 CA LEU A 68 4.538 1.882 0.263 1.00 10.00 C ATOM 745 C LEU A 68 3.255 1.769 1.076 1.00 10.00 C ATOM 746 O LEU A 68 3.038 0.772 1.764 1.00 10.00 O ATOM 747 CB LEU A 68 5.609 2.617 1.067 1.00 10.00 C ATOM 748 CG LEU A 68 7.028 2.522 0.503 1.00 10.00 C ATOM 749 CD1 LEU A 68 7.966 3.423 1.285 1.00 10.00 C ATOM 750 CD2 LEU A 68 7.526 1.083 0.534 1.00 10.00 C ATOM 0 H LEU A 68 4.786 3.446 -1.114 1.00 10.00 H new ATOM 0 HA LEU A 68 4.894 0.875 0.044 1.00 10.00 H new ATOM 0 HB2 LEU A 68 5.332 3.669 1.134 1.00 10.00 H new ATOM 0 HB3 LEU A 68 5.612 2.223 2.083 1.00 10.00 H new ATOM 0 HG LEU A 68 7.008 2.854 -0.535 1.00 10.00 H new ATOM 0 HD11 LEU A 68 8.972 3.346 0.873 1.00 10.00 H new ATOM 0 HD12 LEU A 68 7.623 4.455 1.213 1.00 10.00 H new ATOM 0 HD13 LEU A 68 7.977 3.116 2.331 1.00 10.00 H new ATOM 0 HD21 LEU A 68 8.537 1.039 0.128 1.00 10.00 H new ATOM 0 HD22 LEU A 68 7.532 0.722 1.562 1.00 10.00 H new ATOM 0 HD23 LEU A 68 6.866 0.457 -0.067 1.00 10.00 H new ATOM 762 N GLU A 69 2.410 2.795 0.997 1.00 10.00 N ATOM 763 CA GLU A 69 1.137 2.791 1.710 1.00 10.00 C ATOM 764 C GLU A 69 0.294 1.607 1.262 1.00 10.00 C ATOM 765 O GLU A 69 -0.282 0.900 2.087 1.00 10.00 O ATOM 766 CB GLU A 69 0.372 4.092 1.467 1.00 10.00 C ATOM 767 CG GLU A 69 0.794 5.232 2.379 1.00 10.00 C ATOM 768 CD GLU A 69 0.486 4.964 3.840 1.00 10.00 C ATOM 769 OE1 GLU A 69 -0.557 4.344 4.134 1.00 10.00 O ATOM 770 OE2 GLU A 69 1.279 5.384 4.705 1.00 10.00 O ATOM 0 H GLU A 69 2.584 3.637 0.448 1.00 10.00 H new ATOM 0 HA GLU A 69 1.343 2.706 2.777 1.00 10.00 H new ATOM 0 HB2 GLU A 69 0.513 4.397 0.430 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -0.694 3.907 1.602 1.00 10.00 H new ATOM 0 HG2 GLU A 69 1.864 5.405 2.264 1.00 10.00 H new ATOM 0 HG3 GLU A 69 0.288 6.146 2.068 1.00 10.00 H new ATOM 777 N ARG A 70 0.246 1.391 -0.049 1.00 10.00 N ATOM 778 CA ARG A 70 -0.514 0.286 -0.621 1.00 10.00 C ATOM 779 C ARG A 70 0.063 -1.045 -0.165 1.00 10.00 C ATOM 780 O ARG A 70 -0.674 -1.945 0.236 1.00 10.00 O ATOM 781 CB ARG A 70 -0.498 0.361 -2.148 1.00 10.00 C ATOM 782 CG ARG A 70 -1.525 1.319 -2.726 1.00 10.00 C ATOM 783 CD ARG A 70 -2.940 0.784 -2.562 1.00 10.00 C ATOM 784 NE ARG A 70 -3.542 1.189 -1.292 1.00 10.00 N ATOM 785 CZ ARG A 70 -4.348 0.418 -0.561 1.00 10.00 C ATOM 786 NH1 ARG A 70 -4.605 -0.830 -0.936 1.00 10.00 N ATOM 787 NH2 ARG A 70 -4.887 0.897 0.554 1.00 10.00 N ATOM 0 H ARG A 70 0.727 1.970 -0.737 1.00 10.00 H new ATOM 0 HA ARG A 70 -1.544 0.363 -0.274 1.00 10.00 H new ATOM 0 HB2 ARG A 70 0.495 0.666 -2.477 1.00 10.00 H new ATOM 0 HB3 ARG A 70 -0.676 -0.635 -2.553 1.00 10.00 H new ATOM 0 HG2 ARG A 70 -1.441 2.286 -2.231 1.00 10.00 H new ATOM 0 HG3 ARG A 70 -1.317 1.483 -3.783 1.00 10.00 H new ATOM 0 HD2 ARG A 70 -3.559 1.141 -3.385 1.00 10.00 H new ATOM 0 HD3 ARG A 70 -2.924 -0.304 -2.624 1.00 10.00 H new ATOM 0 HE ARG A 70 -3.331 2.124 -0.942 1.00 10.00 H new ATOM 0 HH11 ARG A 70 -4.185 -1.203 -1.787 1.00 10.00 H new ATOM 0 HH12 ARG A 70 -5.222 -1.415 -0.373 1.00 10.00 H new ATOM 0 HH21 ARG A 70 -4.684 1.852 0.849 1.00 10.00 H new ATOM 0 HH22 ARG A 70 -5.504 0.310 1.115 1.00 10.00 H new ATOM 801 N TRP A 71 1.387 -1.149 -0.221 1.00 10.00 N ATOM 802 CA TRP A 71 2.087 -2.362 0.189 1.00 10.00 C ATOM 803 C TRP A 71 1.752 -2.710 1.634 1.00 10.00 C ATOM 804 O TRP A 71 1.395 -3.848 1.953 1.00 10.00 O ATOM 805 CB TRP A 71 3.603 -2.181 0.052 1.00 10.00 C ATOM 806 CG TRP A 71 4.094 -2.069 -1.364 1.00 10.00 C ATOM 807 CD1 TRP A 71 3.343 -1.949 -2.497 1.00 10.00 C ATOM 808 CD2 TRP A 71 5.462 -2.070 -1.788 1.00 10.00 C ATOM 809 NE1 TRP A 71 4.161 -1.864 -3.598 1.00 10.00 N ATOM 810 CE2 TRP A 71 5.468 -1.941 -3.188 1.00 10.00 C ATOM 811 CE3 TRP A 71 6.683 -2.170 -1.114 1.00 10.00 C ATOM 812 CZ2 TRP A 71 6.650 -1.906 -3.926 1.00 10.00 C ATOM 813 CZ3 TRP A 71 7.853 -2.135 -1.848 1.00 10.00 C ATOM 814 CH2 TRP A 71 7.828 -2.005 -3.240 1.00 10.00 C ATOM 0 H TRP A 71 2.000 -0.403 -0.549 1.00 10.00 H new ATOM 0 HA TRP A 71 1.761 -3.174 -0.462 1.00 10.00 H new ATOM 0 HB2 TRP A 71 3.900 -1.285 0.597 1.00 10.00 H new ATOM 0 HB3 TRP A 71 4.101 -3.025 0.530 1.00 10.00 H new ATOM 0 HD1 TRP A 71 2.264 -1.924 -2.524 1.00 10.00 H new ATOM 0 HE1 TRP A 71 3.847 -1.760 -4.563 1.00 10.00 H new ATOM 0 HE3 TRP A 71 6.711 -2.273 -0.039 1.00 10.00 H new ATOM 0 HZ2 TRP A 71 6.636 -1.804 -5.001 1.00 10.00 H new ATOM 0 HZ3 TRP A 71 8.802 -2.209 -1.338 1.00 10.00 H new ATOM 0 HH2 TRP A 71 8.760 -1.982 -3.785 1.00 10.00 H new ATOM 825 N ALA A 72 1.860 -1.712 2.500 1.00 10.00 N ATOM 826 CA ALA A 72 1.586 -1.890 3.915 1.00 10.00 C ATOM 827 C ALA A 72 0.108 -2.160 4.175 1.00 10.00 C ATOM 828 O ALA A 72 -0.235 -3.118 4.858 1.00 10.00 O ATOM 829 CB ALA A 72 2.039 -0.666 4.693 1.00 10.00 C ATOM 0 H ALA A 72 2.138 -0.765 2.243 1.00 10.00 H new ATOM 0 HA ALA A 72 2.146 -2.762 4.254 1.00 10.00 H new ATOM 0 HB1 ALA A 72 1.829 -0.810 5.753 1.00 10.00 H new ATOM 0 HB2 ALA A 72 3.110 -0.521 4.552 1.00 10.00 H new ATOM 0 HB3 ALA A 72 1.504 0.213 4.333 1.00 10.00 H new ATOM 835 N ALA A 73 -0.758 -1.327 3.613 1.00 10.00 N ATOM 836 CA ALA A 73 -2.200 -1.459 3.810 1.00 10.00 C ATOM 837 C ALA A 73 -2.723 -2.820 3.360 1.00 10.00 C ATOM 838 O ALA A 73 -3.491 -3.461 4.079 1.00 10.00 O ATOM 839 CB ALA A 73 -2.940 -0.350 3.079 1.00 10.00 C ATOM 0 H ALA A 73 -0.487 -0.548 3.013 1.00 10.00 H new ATOM 0 HA ALA A 73 -2.385 -1.374 4.881 1.00 10.00 H new ATOM 0 HB1 ALA A 73 -4.013 -0.463 3.236 1.00 10.00 H new ATOM 0 HB2 ALA A 73 -2.617 0.618 3.463 1.00 10.00 H new ATOM 0 HB3 ALA A 73 -2.721 -0.408 2.013 1.00 10.00 H new ATOM 845 N ASP A 74 -2.294 -3.270 2.184 1.00 10.00 N ATOM 846 CA ASP A 74 -2.746 -4.552 1.652 1.00 10.00 C ATOM 847 C ASP A 74 -2.290 -5.707 2.534 1.00 10.00 C ATOM 848 O ASP A 74 -3.016 -6.681 2.729 1.00 10.00 O ATOM 849 CB ASP A 74 -2.235 -4.766 0.230 1.00 10.00 C ATOM 850 CG ASP A 74 -3.115 -5.717 -0.561 1.00 10.00 C ATOM 851 OD1 ASP A 74 -2.972 -6.949 -0.405 1.00 10.00 O ATOM 852 OD2 ASP A 74 -3.955 -5.236 -1.355 1.00 10.00 O ATOM 0 H ASP A 74 -1.638 -2.769 1.584 1.00 10.00 H new ATOM 0 HA ASP A 74 -3.836 -4.529 1.638 1.00 10.00 H new ATOM 0 HB2 ASP A 74 -2.186 -3.806 -0.285 1.00 10.00 H new ATOM 0 HB3 ASP A 74 -1.219 -5.160 0.267 1.00 10.00 H new ATOM 857 N SER A 75 -1.095 -5.574 3.097 1.00 10.00 N ATOM 858 CA SER A 75 -0.532 -6.614 3.950 1.00 10.00 C ATOM 859 C SER A 75 -0.904 -6.400 5.417 1.00 10.00 C ATOM 860 O SER A 75 -0.438 -7.129 6.294 1.00 10.00 O ATOM 861 CB SER A 75 0.987 -6.645 3.794 1.00 10.00 C ATOM 862 OG SER A 75 1.358 -6.528 2.430 1.00 10.00 O ATOM 0 H SER A 75 -0.497 -4.756 2.978 1.00 10.00 H new ATOM 0 HA SER A 75 -0.951 -7.570 3.637 1.00 10.00 H new ATOM 0 HB2 SER A 75 1.432 -5.832 4.367 1.00 10.00 H new ATOM 0 HB3 SER A 75 1.380 -7.576 4.203 1.00 10.00 H new ATOM 0 HG SER A 75 1.470 -5.582 2.201 1.00 10.00 H new ATOM 868 N ASN A 76 -1.744 -5.398 5.671 1.00 10.00 N ATOM 869 CA ASN A 76 -2.193 -5.071 7.026 1.00 10.00 C ATOM 870 C ASN A 76 -1.015 -4.720 7.928 1.00 10.00 C ATOM 871 O ASN A 76 -0.962 -5.123 9.091 1.00 10.00 O ATOM 872 CB ASN A 76 -2.996 -6.229 7.626 1.00 10.00 C ATOM 873 CG ASN A 76 -4.457 -6.173 7.245 1.00 10.00 C ATOM 874 OD1 ASN A 76 -5.033 -5.091 7.110 1.00 10.00 O ATOM 875 ND2 ASN A 76 -5.064 -7.332 7.050 1.00 10.00 N ATOM 0 H ASN A 76 -2.132 -4.792 4.948 1.00 10.00 H new ATOM 0 HA ASN A 76 -2.841 -4.197 6.958 1.00 10.00 H new ATOM 0 HB2 ASN A 76 -2.571 -7.175 7.290 1.00 10.00 H new ATOM 0 HB3 ASN A 76 -2.905 -6.207 8.712 1.00 10.00 H new ATOM 0 HD21 ASN A 76 -6.047 -7.354 6.777 1.00 10.00 H new ATOM 0 HD22 ASN A 76 -4.550 -8.204 7.173 1.00 10.00 H new ATOM 882 N MET A 77 -0.077 -3.963 7.378 1.00 10.00 N ATOM 883 CA MET A 77 1.111 -3.539 8.107 1.00 10.00 C ATOM 884 C MET A 77 1.140 -2.019 8.213 1.00 10.00 C ATOM 885 O MET A 77 0.310 -1.336 7.613 1.00 10.00 O ATOM 886 CB MET A 77 2.380 -4.036 7.404 1.00 10.00 C ATOM 887 CG MET A 77 2.469 -5.551 7.290 1.00 10.00 C ATOM 888 SD MET A 77 4.163 -6.143 7.092 1.00 10.00 S ATOM 889 CE MET A 77 4.780 -5.029 5.835 1.00 10.00 C ATOM 0 H MET A 77 -0.117 -3.626 6.416 1.00 10.00 H new ATOM 0 HA MET A 77 1.076 -3.969 9.108 1.00 10.00 H new ATOM 0 HB2 MET A 77 2.423 -3.603 6.405 1.00 10.00 H new ATOM 0 HB3 MET A 77 3.251 -3.671 7.947 1.00 10.00 H new ATOM 0 HG2 MET A 77 2.033 -6.003 8.181 1.00 10.00 H new ATOM 0 HG3 MET A 77 1.872 -5.882 6.440 1.00 10.00 H new ATOM 0 HE1 MET A 77 5.806 -5.297 5.583 1.00 10.00 H new ATOM 0 HE2 MET A 77 4.157 -5.105 4.944 1.00 10.00 H new ATOM 0 HE3 MET A 77 4.754 -4.006 6.211 1.00 10.00 H new ATOM 899 N GLN A 78 2.091 -1.495 8.971 1.00 10.00 N ATOM 900 CA GLN A 78 2.212 -0.054 9.146 1.00 10.00 C ATOM 901 C GLN A 78 3.386 0.492 8.342 1.00 10.00 C ATOM 902 O GLN A 78 4.281 -0.258 7.951 1.00 10.00 O ATOM 903 CB GLN A 78 2.383 0.287 10.627 1.00 10.00 C ATOM 904 CG GLN A 78 1.071 0.549 11.345 1.00 10.00 C ATOM 905 CD GLN A 78 0.515 1.928 11.049 1.00 10.00 C ATOM 906 OE1 GLN A 78 0.749 2.491 9.981 1.00 10.00 O ATOM 907 NE2 GLN A 78 -0.219 2.487 11.995 1.00 10.00 N ATOM 0 H GLN A 78 2.789 -2.043 9.474 1.00 10.00 H new ATOM 0 HA GLN A 78 1.298 0.413 8.779 1.00 10.00 H new ATOM 0 HB2 GLN A 78 2.901 -0.534 11.123 1.00 10.00 H new ATOM 0 HB3 GLN A 78 3.019 1.167 10.718 1.00 10.00 H new ATOM 0 HG2 GLN A 78 0.341 -0.205 11.049 1.00 10.00 H new ATOM 0 HG3 GLN A 78 1.221 0.444 12.420 1.00 10.00 H new ATOM 0 HE21 GLN A 78 -0.391 1.989 12.868 1.00 10.00 H new ATOM 0 HE22 GLN A 78 -0.613 3.417 11.852 1.00 10.00 H new ATOM 916 N LEU A 79 3.378 1.797 8.097 1.00 10.00 N ATOM 917 CA LEU A 79 4.443 2.442 7.342 1.00 10.00 C ATOM 918 C LEU A 79 4.937 3.696 8.048 1.00 10.00 C ATOM 919 O LEU A 79 4.150 4.514 8.529 1.00 10.00 O ATOM 920 CB LEU A 79 3.973 2.794 5.923 1.00 10.00 C ATOM 921 CG LEU A 79 4.892 3.744 5.147 1.00 10.00 C ATOM 922 CD1 LEU A 79 6.169 3.034 4.733 1.00 10.00 C ATOM 923 CD2 LEU A 79 4.177 4.311 3.931 1.00 10.00 C ATOM 0 H LEU A 79 2.643 2.430 8.412 1.00 10.00 H new ATOM 0 HA LEU A 79 5.269 1.734 7.274 1.00 10.00 H new ATOM 0 HB2 LEU A 79 3.867 1.871 5.353 1.00 10.00 H new ATOM 0 HB3 LEU A 79 2.982 3.244 5.987 1.00 10.00 H new ATOM 0 HG LEU A 79 5.158 4.573 5.804 1.00 10.00 H new ATOM 0 HD11 LEU A 79 6.808 3.725 4.183 1.00 10.00 H new ATOM 0 HD12 LEU A 79 6.694 2.683 5.621 1.00 10.00 H new ATOM 0 HD13 LEU A 79 5.923 2.184 4.097 1.00 10.00 H new ATOM 0 HD21 LEU A 79 4.848 4.983 3.395 1.00 10.00 H new ATOM 0 HD22 LEU A 79 3.877 3.496 3.272 1.00 10.00 H new ATOM 0 HD23 LEU A 79 3.293 4.862 4.253 1.00 10.00 H new ATOM 935 N SER A 80 6.246 3.823 8.108 1.00 10.00 N ATOM 936 CA SER A 80 6.886 4.956 8.731 1.00 10.00 C ATOM 937 C SER A 80 7.723 5.713 7.706 1.00 10.00 C ATOM 938 O SER A 80 8.867 5.347 7.426 1.00 10.00 O ATOM 939 CB SER A 80 7.761 4.471 9.882 1.00 10.00 C ATOM 940 OG SER A 80 6.974 4.117 11.003 1.00 10.00 O ATOM 0 H SER A 80 6.897 3.138 7.723 1.00 10.00 H new ATOM 0 HA SER A 80 6.127 5.634 9.121 1.00 10.00 H new ATOM 0 HB2 SER A 80 8.349 3.611 9.560 1.00 10.00 H new ATOM 0 HB3 SER A 80 8.467 5.253 10.161 1.00 10.00 H new ATOM 0 HG SER A 80 7.333 4.551 11.805 1.00 10.00 H new ATOM 946 N TYR A 81 7.142 6.758 7.140 1.00 10.00 N ATOM 947 CA TYR A 81 7.826 7.573 6.153 1.00 10.00 C ATOM 948 C TYR A 81 8.565 8.700 6.862 1.00 10.00 C ATOM 949 O TYR A 81 7.971 9.721 7.208 1.00 10.00 O ATOM 950 CB TYR A 81 6.807 8.141 5.160 1.00 10.00 C ATOM 951 CG TYR A 81 7.389 8.579 3.833 1.00 10.00 C ATOM 952 CD1 TYR A 81 7.733 7.648 2.863 1.00 10.00 C ATOM 953 CD2 TYR A 81 7.565 9.925 3.544 1.00 10.00 C ATOM 954 CE1 TYR A 81 8.246 8.048 1.643 1.00 10.00 C ATOM 955 CE2 TYR A 81 8.071 10.333 2.326 1.00 10.00 C ATOM 956 CZ TYR A 81 8.409 9.391 1.378 1.00 10.00 C ATOM 957 OH TYR A 81 8.911 9.796 0.162 1.00 10.00 O ATOM 0 H TYR A 81 6.191 7.062 7.350 1.00 10.00 H new ATOM 0 HA TYR A 81 8.545 6.966 5.603 1.00 10.00 H new ATOM 0 HB2 TYR A 81 6.043 7.387 4.974 1.00 10.00 H new ATOM 0 HB3 TYR A 81 6.308 8.993 5.621 1.00 10.00 H new ATOM 0 HD1 TYR A 81 7.598 6.596 3.064 1.00 10.00 H new ATOM 0 HD2 TYR A 81 7.302 10.666 4.284 1.00 10.00 H new ATOM 0 HE1 TYR A 81 8.518 7.312 0.901 1.00 10.00 H new ATOM 0 HE2 TYR A 81 8.201 11.385 2.117 1.00 10.00 H new ATOM 0 HH TYR A 81 9.426 10.621 0.279 1.00 10.00 H new ATOM 967 N ASN A 82 9.853 8.513 7.092 1.00 10.00 N ATOM 968 CA ASN A 82 10.648 9.516 7.780 1.00 10.00 C ATOM 969 C ASN A 82 11.576 10.220 6.806 1.00 10.00 C ATOM 970 O ASN A 82 12.776 10.368 7.050 1.00 10.00 O ATOM 971 CB ASN A 82 11.440 8.879 8.925 1.00 10.00 C ATOM 972 CG ASN A 82 10.551 8.475 10.085 1.00 10.00 C ATOM 973 OD1 ASN A 82 9.490 9.065 10.310 1.00 10.00 O ATOM 974 ND2 ASN A 82 10.974 7.472 10.835 1.00 10.00 N ATOM 0 H ASN A 82 10.370 7.679 6.814 1.00 10.00 H new ATOM 0 HA ASN A 82 9.975 10.260 8.205 1.00 10.00 H new ATOM 0 HB2 ASN A 82 11.970 8.002 8.553 1.00 10.00 H new ATOM 0 HB3 ASN A 82 12.195 9.582 9.277 1.00 10.00 H new ATOM 0 HD21 ASN A 82 10.418 7.161 11.631 1.00 10.00 H new ATOM 0 HD22 ASN A 82 11.857 7.009 10.617 1.00 10.00 H new ATOM 981 N LEU A 83 11.005 10.646 5.692 1.00 10.00 N ATOM 982 CA LEU A 83 11.749 11.350 4.669 1.00 10.00 C ATOM 983 C LEU A 83 11.340 12.818 4.668 1.00 10.00 C ATOM 984 O LEU A 83 10.238 13.152 5.101 1.00 10.00 O ATOM 985 CB LEU A 83 11.494 10.729 3.288 1.00 10.00 C ATOM 986 CG LEU A 83 11.956 9.279 3.119 1.00 10.00 C ATOM 987 CD1 LEU A 83 11.858 8.854 1.663 1.00 10.00 C ATOM 988 CD2 LEU A 83 13.378 9.104 3.620 1.00 10.00 C ATOM 0 H LEU A 83 10.017 10.513 5.475 1.00 10.00 H new ATOM 0 HA LEU A 83 12.814 11.268 4.886 1.00 10.00 H new ATOM 0 HB2 LEU A 83 10.425 10.778 3.079 1.00 10.00 H new ATOM 0 HB3 LEU A 83 11.994 11.341 2.537 1.00 10.00 H new ATOM 0 HG LEU A 83 11.300 8.644 3.714 1.00 10.00 H new ATOM 0 HD11 LEU A 83 12.190 7.821 1.562 1.00 10.00 H new ATOM 0 HD12 LEU A 83 10.824 8.937 1.329 1.00 10.00 H new ATOM 0 HD13 LEU A 83 12.489 9.499 1.052 1.00 10.00 H new ATOM 0 HD21 LEU A 83 13.684 8.066 3.490 1.00 10.00 H new ATOM 0 HD22 LEU A 83 14.046 9.753 3.054 1.00 10.00 H new ATOM 0 HD23 LEU A 83 13.426 9.367 4.677 1.00 10.00 H new ATOM 1000 N PRO A 84 12.228 13.715 4.215 1.00 10.00 N ATOM 1001 CA PRO A 84 11.941 15.154 4.162 1.00 10.00 C ATOM 1002 C PRO A 84 10.728 15.476 3.289 1.00 10.00 C ATOM 1003 O PRO A 84 9.934 16.359 3.614 1.00 10.00 O ATOM 1004 CB PRO A 84 13.214 15.764 3.559 1.00 10.00 C ATOM 1005 CG PRO A 84 13.944 14.623 2.935 1.00 10.00 C ATOM 1006 CD PRO A 84 13.587 13.411 3.741 1.00 10.00 C ATOM 0 HA PRO A 84 11.695 15.549 5.148 1.00 10.00 H new ATOM 0 HB2 PRO A 84 12.971 16.527 2.819 1.00 10.00 H new ATOM 0 HB3 PRO A 84 13.820 16.246 4.326 1.00 10.00 H new ATOM 0 HG2 PRO A 84 13.653 14.497 1.892 1.00 10.00 H new ATOM 0 HG3 PRO A 84 15.020 14.796 2.947 1.00 10.00 H new ATOM 0 HD2 PRO A 84 13.610 12.504 3.137 1.00 10.00 H new ATOM 0 HD3 PRO A 84 14.279 13.260 4.570 1.00 10.00 H new ATOM 1014 N SER A 85 10.587 14.759 2.182 1.00 10.00 N ATOM 1015 CA SER A 85 9.474 14.968 1.265 1.00 10.00 C ATOM 1016 C SER A 85 9.155 13.671 0.523 1.00 10.00 C ATOM 1017 O SER A 85 9.909 12.696 0.615 1.00 10.00 O ATOM 1018 CB SER A 85 9.813 16.079 0.264 1.00 10.00 C ATOM 1019 OG SER A 85 10.339 17.222 0.922 1.00 10.00 O ATOM 0 H SER A 85 11.233 14.024 1.896 1.00 10.00 H new ATOM 0 HA SER A 85 8.598 15.270 1.839 1.00 10.00 H new ATOM 0 HB2 SER A 85 10.537 15.709 -0.462 1.00 10.00 H new ATOM 0 HB3 SER A 85 8.917 16.357 -0.292 1.00 10.00 H new ATOM 0 HG SER A 85 10.548 17.914 0.260 1.00 10.00 H new ATOM 1025 N ASP A 86 8.034 13.652 -0.187 1.00 10.00 N ATOM 1026 CA ASP A 86 7.640 12.479 -0.954 1.00 10.00 C ATOM 1027 C ASP A 86 8.432 12.420 -2.247 1.00 10.00 C ATOM 1028 O ASP A 86 8.734 13.451 -2.848 1.00 10.00 O ATOM 1029 CB ASP A 86 6.135 12.488 -1.257 1.00 10.00 C ATOM 1030 CG ASP A 86 5.701 13.682 -2.087 1.00 10.00 C ATOM 1031 OD1 ASP A 86 5.578 14.790 -1.518 1.00 10.00 O ATOM 1032 OD2 ASP A 86 5.462 13.520 -3.303 1.00 10.00 O ATOM 0 H ASP A 86 7.383 14.435 -0.247 1.00 10.00 H new ATOM 0 HA ASP A 86 7.855 11.594 -0.355 1.00 10.00 H new ATOM 0 HB2 ASP A 86 5.871 11.571 -1.785 1.00 10.00 H new ATOM 0 HB3 ASP A 86 5.582 12.486 -0.318 1.00 10.00 H new ATOM 1037 N TYR A 87 8.785 11.218 -2.667 1.00 10.00 N ATOM 1038 CA TYR A 87 9.555 11.039 -3.888 1.00 10.00 C ATOM 1039 C TYR A 87 8.806 10.165 -4.882 1.00 10.00 C ATOM 1040 O TYR A 87 8.177 9.179 -4.501 1.00 10.00 O ATOM 1041 CB TYR A 87 10.921 10.424 -3.569 1.00 10.00 C ATOM 1042 CG TYR A 87 11.777 11.289 -2.674 1.00 10.00 C ATOM 1043 CD1 TYR A 87 12.317 12.480 -3.141 1.00 10.00 C ATOM 1044 CD2 TYR A 87 12.042 10.920 -1.361 1.00 10.00 C ATOM 1045 CE1 TYR A 87 13.097 13.277 -2.328 1.00 10.00 C ATOM 1046 CE2 TYR A 87 12.822 11.713 -0.542 1.00 10.00 C ATOM 1047 CZ TYR A 87 13.346 12.890 -1.032 1.00 10.00 C ATOM 1048 OH TYR A 87 14.122 13.680 -0.219 1.00 10.00 O ATOM 0 H TYR A 87 8.552 10.351 -2.182 1.00 10.00 H new ATOM 0 HA TYR A 87 9.704 12.019 -4.341 1.00 10.00 H new ATOM 0 HB2 TYR A 87 10.772 9.456 -3.091 1.00 10.00 H new ATOM 0 HB3 TYR A 87 11.455 10.240 -4.502 1.00 10.00 H new ATOM 0 HD1 TYR A 87 12.123 12.788 -4.158 1.00 10.00 H new ATOM 0 HD2 TYR A 87 11.632 9.999 -0.975 1.00 10.00 H new ATOM 0 HE1 TYR A 87 13.510 14.200 -2.708 1.00 10.00 H new ATOM 0 HE2 TYR A 87 13.020 11.413 0.476 1.00 10.00 H new ATOM 0 HH TYR A 87 14.023 14.618 -0.483 1.00 10.00 H new ATOM 1058 N THR A 88 8.857 10.547 -6.145 1.00 10.00 N ATOM 1059 CA THR A 88 8.200 9.798 -7.202 1.00 10.00 C ATOM 1060 C THR A 88 9.064 8.618 -7.633 1.00 10.00 C ATOM 1061 O THR A 88 10.272 8.608 -7.387 1.00 10.00 O ATOM 1062 CB THR A 88 7.926 10.695 -8.419 1.00 10.00 C ATOM 1063 OG1 THR A 88 8.899 11.746 -8.476 1.00 10.00 O ATOM 1064 CG2 THR A 88 6.532 11.294 -8.352 1.00 10.00 C ATOM 0 H THR A 88 9.351 11.379 -6.466 1.00 10.00 H new ATOM 0 HA THR A 88 7.251 9.431 -6.810 1.00 10.00 H new ATOM 0 HB THR A 88 7.995 10.082 -9.317 1.00 10.00 H new ATOM 0 HG1 THR A 88 8.721 12.314 -9.254 1.00 10.00 H new ATOM 0 HG21 THR A 88 6.364 11.924 -9.225 1.00 10.00 H new ATOM 0 HG22 THR A 88 5.792 10.493 -8.335 1.00 10.00 H new ATOM 0 HG23 THR A 88 6.437 11.895 -7.447 1.00 10.00 H new ATOM 1072 N LEU A 89 8.448 7.616 -8.254 1.00 10.00 N ATOM 1073 CA LEU A 89 9.187 6.451 -8.722 1.00 10.00 C ATOM 1074 C LEU A 89 10.207 6.868 -9.778 1.00 10.00 C ATOM 1075 O LEU A 89 9.891 7.633 -10.693 1.00 10.00 O ATOM 1076 CB LEU A 89 8.237 5.398 -9.295 1.00 10.00 C ATOM 1077 CG LEU A 89 7.364 4.639 -8.280 1.00 10.00 C ATOM 1078 CD1 LEU A 89 7.835 4.840 -6.848 1.00 10.00 C ATOM 1079 CD2 LEU A 89 5.908 5.040 -8.422 1.00 10.00 C ATOM 0 H LEU A 89 7.446 7.588 -8.443 1.00 10.00 H new ATOM 0 HA LEU A 89 9.711 6.013 -7.873 1.00 10.00 H new ATOM 0 HB2 LEU A 89 7.579 5.887 -10.014 1.00 10.00 H new ATOM 0 HB3 LEU A 89 8.829 4.669 -9.849 1.00 10.00 H new ATOM 0 HG LEU A 89 7.463 3.577 -8.505 1.00 10.00 H new ATOM 0 HD11 LEU A 89 7.187 4.284 -6.170 1.00 10.00 H new ATOM 0 HD12 LEU A 89 8.859 4.480 -6.748 1.00 10.00 H new ATOM 0 HD13 LEU A 89 7.798 5.900 -6.598 1.00 10.00 H new ATOM 0 HD21 LEU A 89 5.307 4.492 -7.696 1.00 10.00 H new ATOM 0 HD22 LEU A 89 5.806 6.110 -8.244 1.00 10.00 H new ATOM 0 HD23 LEU A 89 5.563 4.806 -9.429 1.00 10.00 H new ATOM 1091 N ILE A 90 11.426 6.369 -9.639 1.00 10.00 N ATOM 1092 CA ILE A 90 12.501 6.702 -10.566 1.00 10.00 C ATOM 1093 C ILE A 90 12.402 5.926 -11.875 1.00 10.00 C ATOM 1094 O ILE A 90 12.840 6.410 -12.916 1.00 10.00 O ATOM 1095 CB ILE A 90 13.889 6.454 -9.942 1.00 10.00 C ATOM 1096 CG1 ILE A 90 13.869 5.208 -9.051 1.00 10.00 C ATOM 1097 CG2 ILE A 90 14.342 7.676 -9.153 1.00 10.00 C ATOM 1098 CD1 ILE A 90 15.246 4.718 -8.659 1.00 10.00 C ATOM 0 H ILE A 90 11.698 5.730 -8.892 1.00 10.00 H new ATOM 0 HA ILE A 90 12.385 7.764 -10.781 1.00 10.00 H new ATOM 0 HB ILE A 90 14.603 6.281 -10.747 1.00 10.00 H new ATOM 0 HG12 ILE A 90 13.300 5.428 -8.147 1.00 10.00 H new ATOM 0 HG13 ILE A 90 13.343 4.408 -9.572 1.00 10.00 H new ATOM 0 HG21 ILE A 90 15.323 7.485 -8.719 1.00 10.00 H new ATOM 0 HG22 ILE A 90 14.401 8.537 -9.818 1.00 10.00 H new ATOM 0 HG23 ILE A 90 13.626 7.881 -8.357 1.00 10.00 H new ATOM 0 HD11 ILE A 90 15.152 3.834 -8.029 1.00 10.00 H new ATOM 0 HD12 ILE A 90 15.812 4.466 -9.556 1.00 10.00 H new ATOM 0 HD13 ILE A 90 15.768 5.501 -8.109 1.00 10.00 H new ATOM 1110 N GLY A 91 11.848 4.720 -11.827 1.00 10.00 N ATOM 1111 CA GLY A 91 11.724 3.926 -13.041 1.00 10.00 C ATOM 1112 C GLY A 91 11.911 2.433 -12.818 1.00 10.00 C ATOM 1113 O GLY A 91 10.972 1.657 -13.009 1.00 10.00 O ATOM 0 H GLY A 91 11.486 4.279 -10.981 1.00 10.00 H new ATOM 0 HA2 GLY A 91 10.741 4.099 -13.478 1.00 10.00 H new ATOM 0 HA3 GLY A 91 12.461 4.271 -13.767 1.00 10.00 H new ATOM 1117 N PRO A 92 13.116 1.991 -12.411 1.00 10.00 N ATOM 1118 CA PRO A 92 13.417 0.566 -12.175 1.00 10.00 C ATOM 1119 C PRO A 92 12.683 -0.028 -10.971 1.00 10.00 C ATOM 1120 O PRO A 92 12.925 -1.174 -10.595 1.00 10.00 O ATOM 1121 CB PRO A 92 14.927 0.560 -11.923 1.00 10.00 C ATOM 1122 CG PRO A 92 15.234 1.932 -11.439 1.00 10.00 C ATOM 1123 CD PRO A 92 14.302 2.840 -12.183 1.00 10.00 C ATOM 0 HA PRO A 92 13.095 -0.045 -13.018 1.00 10.00 H new ATOM 0 HB2 PRO A 92 15.202 -0.192 -11.183 1.00 10.00 H new ATOM 0 HB3 PRO A 92 15.480 0.328 -12.834 1.00 10.00 H new ATOM 0 HG2 PRO A 92 15.082 2.011 -10.363 1.00 10.00 H new ATOM 0 HG3 PRO A 92 16.274 2.193 -11.634 1.00 10.00 H new ATOM 0 HD2 PRO A 92 14.056 3.728 -11.602 1.00 10.00 H new ATOM 0 HD3 PRO A 92 14.738 3.184 -13.121 1.00 10.00 H new ATOM 1131 N VAL A 93 11.779 0.743 -10.381 1.00 10.00 N ATOM 1132 CA VAL A 93 11.018 0.285 -9.226 1.00 10.00 C ATOM 1133 C VAL A 93 9.917 -0.668 -9.669 1.00 10.00 C ATOM 1134 O VAL A 93 9.635 -1.666 -9.006 1.00 10.00 O ATOM 1135 CB VAL A 93 10.395 1.465 -8.450 1.00 10.00 C ATOM 1136 CG1 VAL A 93 10.007 1.043 -7.041 1.00 10.00 C ATOM 1137 CG2 VAL A 93 11.352 2.644 -8.413 1.00 10.00 C ATOM 0 H VAL A 93 11.554 1.691 -10.684 1.00 10.00 H new ATOM 0 HA VAL A 93 11.710 -0.233 -8.561 1.00 10.00 H new ATOM 0 HB VAL A 93 9.489 1.774 -8.971 1.00 10.00 H new ATOM 0 HG11 VAL A 93 9.570 1.892 -6.514 1.00 10.00 H new ATOM 0 HG12 VAL A 93 9.279 0.233 -7.091 1.00 10.00 H new ATOM 0 HG13 VAL A 93 10.893 0.701 -6.506 1.00 10.00 H new ATOM 0 HG21 VAL A 93 10.895 3.466 -7.862 1.00 10.00 H new ATOM 0 HG22 VAL A 93 12.277 2.346 -7.920 1.00 10.00 H new ATOM 0 HG23 VAL A 93 11.571 2.967 -9.431 1.00 10.00 H new ATOM 1147 N SER A 94 9.306 -0.363 -10.809 1.00 10.00 N ATOM 1148 CA SER A 94 8.239 -1.198 -11.352 1.00 10.00 C ATOM 1149 C SER A 94 8.777 -2.556 -11.803 1.00 10.00 C ATOM 1150 O SER A 94 8.014 -3.500 -12.005 1.00 10.00 O ATOM 1151 CB SER A 94 7.556 -0.487 -12.520 1.00 10.00 C ATOM 1152 OG SER A 94 7.047 0.777 -12.117 1.00 10.00 O ATOM 0 H SER A 94 9.531 0.455 -11.375 1.00 10.00 H new ATOM 0 HA SER A 94 7.508 -1.369 -10.562 1.00 10.00 H new ATOM 0 HB2 SER A 94 8.267 -0.354 -13.336 1.00 10.00 H new ATOM 0 HB3 SER A 94 6.744 -1.105 -12.903 1.00 10.00 H new ATOM 0 HG SER A 94 6.217 0.649 -11.612 1.00 10.00 H new ATOM 1158 N ALA A 95 10.095 -2.648 -11.944 1.00 10.00 N ATOM 1159 CA ALA A 95 10.737 -3.887 -12.359 1.00 10.00 C ATOM 1160 C ALA A 95 10.859 -4.842 -11.177 1.00 10.00 C ATOM 1161 O ALA A 95 11.204 -6.011 -11.337 1.00 10.00 O ATOM 1162 CB ALA A 95 12.106 -3.597 -12.958 1.00 10.00 C ATOM 0 H ALA A 95 10.740 -1.876 -11.776 1.00 10.00 H new ATOM 0 HA ALA A 95 10.121 -4.362 -13.122 1.00 10.00 H new ATOM 0 HB1 ALA A 95 12.575 -4.532 -13.264 1.00 10.00 H new ATOM 0 HB2 ALA A 95 11.993 -2.947 -13.826 1.00 10.00 H new ATOM 0 HB3 ALA A 95 12.732 -3.104 -12.214 1.00 10.00 H new ATOM 1168 N ILE A 96 10.570 -4.333 -9.988 1.00 10.00 N ATOM 1169 CA ILE A 96 10.637 -5.122 -8.774 1.00 10.00 C ATOM 1170 C ILE A 96 9.261 -5.680 -8.457 1.00 10.00 C ATOM 1171 O ILE A 96 8.322 -4.933 -8.191 1.00 10.00 O ATOM 1172 CB ILE A 96 11.157 -4.278 -7.590 1.00 10.00 C ATOM 1173 CG1 ILE A 96 12.542 -3.717 -7.926 1.00 10.00 C ATOM 1174 CG2 ILE A 96 11.202 -5.106 -6.312 1.00 10.00 C ATOM 1175 CD1 ILE A 96 12.888 -2.450 -7.176 1.00 10.00 C ATOM 0 H ILE A 96 10.284 -3.365 -9.842 1.00 10.00 H new ATOM 0 HA ILE A 96 11.336 -5.943 -8.931 1.00 10.00 H new ATOM 0 HB ILE A 96 10.472 -3.447 -7.421 1.00 10.00 H new ATOM 0 HG12 ILE A 96 13.294 -4.475 -7.705 1.00 10.00 H new ATOM 0 HG13 ILE A 96 12.593 -3.519 -8.997 1.00 10.00 H new ATOM 0 HG21 ILE A 96 11.571 -4.490 -5.492 1.00 10.00 H new ATOM 0 HG22 ILE A 96 10.200 -5.463 -6.074 1.00 10.00 H new ATOM 0 HG23 ILE A 96 11.867 -5.958 -6.454 1.00 10.00 H new ATOM 0 HD11 ILE A 96 13.883 -2.115 -7.468 1.00 10.00 H new ATOM 0 HD12 ILE A 96 12.160 -1.675 -7.415 1.00 10.00 H new ATOM 0 HD13 ILE A 96 12.871 -2.646 -6.104 1.00 10.00 H new ATOM 1187 N SER A 97 9.137 -6.991 -8.540 1.00 10.00 N ATOM 1188 CA SER A 97 7.873 -7.654 -8.275 1.00 10.00 C ATOM 1189 C SER A 97 8.087 -8.936 -7.476 1.00 10.00 C ATOM 1190 O SER A 97 8.364 -9.995 -8.040 1.00 10.00 O ATOM 1191 CB SER A 97 7.169 -7.967 -9.596 1.00 10.00 C ATOM 1192 OG SER A 97 7.256 -6.861 -10.479 1.00 10.00 O ATOM 0 H SER A 97 9.899 -7.621 -8.790 1.00 10.00 H new ATOM 0 HA SER A 97 7.248 -6.986 -7.682 1.00 10.00 H new ATOM 0 HB2 SER A 97 7.622 -8.845 -10.057 1.00 10.00 H new ATOM 0 HB3 SER A 97 6.123 -8.209 -9.409 1.00 10.00 H new ATOM 0 HG SER A 97 6.802 -7.077 -11.320 1.00 10.00 H new ATOM 1198 N THR A 98 7.980 -8.826 -6.161 1.00 10.00 N ATOM 1199 CA THR A 98 8.153 -9.972 -5.282 1.00 10.00 C ATOM 1200 C THR A 98 7.004 -10.054 -4.278 1.00 10.00 C ATOM 1201 O THR A 98 6.351 -9.050 -3.986 1.00 10.00 O ATOM 1202 CB THR A 98 9.507 -9.905 -4.538 1.00 10.00 C ATOM 1203 OG1 THR A 98 9.745 -11.120 -3.814 1.00 10.00 O ATOM 1204 CG2 THR A 98 9.540 -8.729 -3.579 1.00 10.00 C ATOM 0 H THR A 98 7.774 -7.952 -5.678 1.00 10.00 H new ATOM 0 HA THR A 98 8.148 -10.871 -5.899 1.00 10.00 H new ATOM 0 HB THR A 98 10.290 -9.773 -5.284 1.00 10.00 H new ATOM 0 HG1 THR A 98 9.995 -10.907 -2.891 1.00 10.00 H new ATOM 0 HG21 THR A 98 10.502 -8.703 -3.068 1.00 10.00 H new ATOM 0 HG22 THR A 98 9.400 -7.802 -4.135 1.00 10.00 H new ATOM 0 HG23 THR A 98 8.742 -8.836 -2.845 1.00 10.00 H new ATOM 1212 N THR A 99 6.745 -11.251 -3.768 1.00 10.00 N ATOM 1213 CA THR A 99 5.682 -11.451 -2.797 1.00 10.00 C ATOM 1214 C THR A 99 6.204 -11.296 -1.371 1.00 10.00 C ATOM 1215 O THR A 99 5.438 -11.328 -0.403 1.00 10.00 O ATOM 1216 CB THR A 99 5.051 -12.840 -2.958 1.00 10.00 C ATOM 1217 OG1 THR A 99 6.026 -13.760 -3.465 1.00 10.00 O ATOM 1218 CG2 THR A 99 3.858 -12.790 -3.900 1.00 10.00 C ATOM 0 H THR A 99 7.258 -12.098 -4.012 1.00 10.00 H new ATOM 0 HA THR A 99 4.925 -10.689 -2.981 1.00 10.00 H new ATOM 0 HB THR A 99 4.705 -13.174 -1.980 1.00 10.00 H new ATOM 0 HG1 THR A 99 5.619 -14.646 -3.565 1.00 10.00 H new ATOM 0 HG21 THR A 99 3.429 -13.787 -3.997 1.00 10.00 H new ATOM 0 HG22 THR A 99 3.107 -12.109 -3.500 1.00 10.00 H new ATOM 0 HG23 THR A 99 4.182 -12.438 -4.879 1.00 10.00 H new ATOM 1226 N SER A 100 7.513 -11.145 -1.250 1.00 10.00 N ATOM 1227 CA SER A 100 8.142 -10.976 0.046 1.00 10.00 C ATOM 1228 C SER A 100 8.450 -9.502 0.275 1.00 10.00 C ATOM 1229 O SER A 100 9.270 -8.914 -0.432 1.00 10.00 O ATOM 1230 CB SER A 100 9.421 -11.812 0.121 1.00 10.00 C ATOM 1231 OG SER A 100 9.177 -13.151 -0.277 1.00 10.00 O ATOM 0 H SER A 100 8.161 -11.136 -2.038 1.00 10.00 H new ATOM 0 HA SER A 100 7.462 -11.319 0.826 1.00 10.00 H new ATOM 0 HB2 SER A 100 10.185 -11.372 -0.520 1.00 10.00 H new ATOM 0 HB3 SER A 100 9.811 -11.797 1.139 1.00 10.00 H new ATOM 0 HG SER A 100 10.009 -13.665 -0.222 1.00 10.00 H new ATOM 1237 N VAL A 101 7.796 -8.908 1.265 1.00 10.00 N ATOM 1238 CA VAL A 101 7.985 -7.496 1.564 1.00 10.00 C ATOM 1239 C VAL A 101 9.429 -7.207 1.977 1.00 10.00 C ATOM 1240 O VAL A 101 9.957 -6.125 1.709 1.00 10.00 O ATOM 1241 CB VAL A 101 6.994 -7.012 2.649 1.00 10.00 C ATOM 1242 CG1 VAL A 101 7.326 -7.595 4.016 1.00 10.00 C ATOM 1243 CG2 VAL A 101 6.956 -5.493 2.696 1.00 10.00 C ATOM 0 H VAL A 101 7.130 -9.383 1.874 1.00 10.00 H new ATOM 0 HA VAL A 101 7.778 -6.938 0.651 1.00 10.00 H new ATOM 0 HB VAL A 101 6.002 -7.373 2.378 1.00 10.00 H new ATOM 0 HG11 VAL A 101 6.608 -7.232 4.751 1.00 10.00 H new ATOM 0 HG12 VAL A 101 7.278 -8.683 3.969 1.00 10.00 H new ATOM 0 HG13 VAL A 101 8.330 -7.288 4.308 1.00 10.00 H new ATOM 0 HG21 VAL A 101 6.254 -5.170 3.465 1.00 10.00 H new ATOM 0 HG22 VAL A 101 7.950 -5.111 2.929 1.00 10.00 H new ATOM 0 HG23 VAL A 101 6.637 -5.107 1.728 1.00 10.00 H new ATOM 1253 N GLN A 102 10.073 -8.186 2.603 1.00 10.00 N ATOM 1254 CA GLN A 102 11.458 -8.034 3.020 1.00 10.00 C ATOM 1255 C GLN A 102 12.361 -7.969 1.794 1.00 10.00 C ATOM 1256 O GLN A 102 13.292 -7.165 1.736 1.00 10.00 O ATOM 1257 CB GLN A 102 11.872 -9.184 3.938 1.00 10.00 C ATOM 1258 CG GLN A 102 11.399 -9.003 5.369 1.00 10.00 C ATOM 1259 CD GLN A 102 11.657 -10.225 6.223 1.00 10.00 C ATOM 1260 OE1 GLN A 102 12.746 -10.392 6.774 1.00 10.00 O ATOM 1261 NE2 GLN A 102 10.659 -11.082 6.348 1.00 10.00 N ATOM 0 H GLN A 102 9.658 -9.089 2.831 1.00 10.00 H new ATOM 0 HA GLN A 102 11.560 -7.104 3.580 1.00 10.00 H new ATOM 0 HB2 GLN A 102 11.471 -10.118 3.544 1.00 10.00 H new ATOM 0 HB3 GLN A 102 12.958 -9.275 3.929 1.00 10.00 H new ATOM 0 HG2 GLN A 102 11.904 -8.143 5.809 1.00 10.00 H new ATOM 0 HG3 GLN A 102 10.332 -8.781 5.370 1.00 10.00 H new ATOM 0 HE21 GLN A 102 9.773 -10.906 5.874 1.00 10.00 H new ATOM 0 HE22 GLN A 102 10.775 -11.920 6.918 1.00 10.00 H new ATOM 1270 N GLN A 103 12.063 -8.808 0.808 1.00 10.00 N ATOM 1271 CA GLN A 103 12.822 -8.834 -0.431 1.00 10.00 C ATOM 1272 C GLN A 103 12.598 -7.533 -1.187 1.00 10.00 C ATOM 1273 O GLN A 103 13.526 -6.974 -1.777 1.00 10.00 O ATOM 1274 CB GLN A 103 12.404 -10.021 -1.297 1.00 10.00 C ATOM 1275 CG GLN A 103 13.107 -10.069 -2.645 1.00 10.00 C ATOM 1276 CD GLN A 103 14.578 -10.406 -2.529 1.00 10.00 C ATOM 1277 OE1 GLN A 103 14.964 -11.573 -2.521 1.00 10.00 O ATOM 1278 NE2 GLN A 103 15.409 -9.380 -2.456 1.00 10.00 N ATOM 0 H GLN A 103 11.297 -9.481 0.846 1.00 10.00 H new ATOM 0 HA GLN A 103 13.880 -8.942 -0.194 1.00 10.00 H new ATOM 0 HB2 GLN A 103 12.610 -10.945 -0.756 1.00 10.00 H new ATOM 0 HB3 GLN A 103 11.327 -9.980 -1.460 1.00 10.00 H new ATOM 0 HG2 GLN A 103 12.618 -10.810 -3.278 1.00 10.00 H new ATOM 0 HG3 GLN A 103 12.998 -9.104 -3.141 1.00 10.00 H new ATOM 0 HE21 GLN A 103 15.045 -8.427 -2.466 1.00 10.00 H new ATOM 0 HE22 GLN A 103 16.414 -9.541 -2.390 1.00 10.00 H new ATOM 1287 N ALA A 104 11.356 -7.057 -1.154 1.00 10.00 N ATOM 1288 CA ALA A 104 10.985 -5.812 -1.809 1.00 10.00 C ATOM 1289 C ALA A 104 11.804 -4.658 -1.250 1.00 10.00 C ATOM 1290 O ALA A 104 12.412 -3.899 -2.001 1.00 10.00 O ATOM 1291 CB ALA A 104 9.495 -5.543 -1.642 1.00 10.00 C ATOM 0 H ALA A 104 10.585 -7.522 -0.675 1.00 10.00 H new ATOM 0 HA ALA A 104 11.197 -5.903 -2.874 1.00 10.00 H new ATOM 0 HB1 ALA A 104 9.236 -4.608 -2.138 1.00 10.00 H new ATOM 0 HB2 ALA A 104 8.926 -6.359 -2.087 1.00 10.00 H new ATOM 0 HB3 ALA A 104 9.255 -5.469 -0.581 1.00 10.00 H new ATOM 1297 N ALA A 105 11.836 -4.549 0.075 1.00 10.00 N ATOM 1298 CA ALA A 105 12.598 -3.500 0.737 1.00 10.00 C ATOM 1299 C ALA A 105 14.081 -3.635 0.412 1.00 10.00 C ATOM 1300 O ALA A 105 14.800 -2.642 0.292 1.00 10.00 O ATOM 1301 CB ALA A 105 12.370 -3.548 2.239 1.00 10.00 C ATOM 0 H ALA A 105 11.342 -5.176 0.710 1.00 10.00 H new ATOM 0 HA ALA A 105 12.254 -2.534 0.369 1.00 10.00 H new ATOM 0 HB1 ALA A 105 12.946 -2.758 2.720 1.00 10.00 H new ATOM 0 HB2 ALA A 105 11.310 -3.405 2.451 1.00 10.00 H new ATOM 0 HB3 ALA A 105 12.689 -4.516 2.625 1.00 10.00 H new ATOM 1307 N THR A 106 14.523 -4.877 0.254 1.00 10.00 N ATOM 1308 CA THR A 106 15.910 -5.169 -0.077 1.00 10.00 C ATOM 1309 C THR A 106 16.256 -4.615 -1.458 1.00 10.00 C ATOM 1310 O THR A 106 17.244 -3.891 -1.621 1.00 10.00 O ATOM 1311 CB THR A 106 16.169 -6.689 -0.043 1.00 10.00 C ATOM 1312 OG1 THR A 106 15.929 -7.196 1.278 1.00 10.00 O ATOM 1313 CG2 THR A 106 17.590 -7.022 -0.467 1.00 10.00 C ATOM 0 H THR A 106 13.934 -5.704 0.351 1.00 10.00 H new ATOM 0 HA THR A 106 16.545 -4.689 0.667 1.00 10.00 H new ATOM 0 HB THR A 106 15.485 -7.160 -0.749 1.00 10.00 H new ATOM 0 HG1 THR A 106 14.989 -7.460 1.361 1.00 10.00 H new ATOM 0 HG21 THR A 106 17.737 -8.101 -0.431 1.00 10.00 H new ATOM 0 HG22 THR A 106 17.759 -6.666 -1.483 1.00 10.00 H new ATOM 0 HG23 THR A 106 18.294 -6.537 0.209 1.00 10.00 H new ATOM 1321 N GLU A 107 15.419 -4.939 -2.439 1.00 10.00 N ATOM 1322 CA GLU A 107 15.617 -4.477 -3.807 1.00 10.00 C ATOM 1323 C GLU A 107 15.456 -2.963 -3.879 1.00 10.00 C ATOM 1324 O GLU A 107 16.252 -2.271 -4.513 1.00 10.00 O ATOM 1325 CB GLU A 107 14.618 -5.149 -4.749 1.00 10.00 C ATOM 1326 CG GLU A 107 14.849 -6.642 -4.937 1.00 10.00 C ATOM 1327 CD GLU A 107 14.419 -7.126 -6.310 1.00 10.00 C ATOM 1328 OE1 GLU A 107 15.082 -6.760 -7.303 1.00 10.00 O ATOM 1329 OE2 GLU A 107 13.430 -7.882 -6.403 1.00 10.00 O ATOM 0 H GLU A 107 14.593 -5.523 -2.310 1.00 10.00 H new ATOM 0 HA GLU A 107 16.627 -4.744 -4.118 1.00 10.00 H new ATOM 0 HB2 GLU A 107 13.610 -4.994 -4.363 1.00 10.00 H new ATOM 0 HB3 GLU A 107 14.666 -4.659 -5.722 1.00 10.00 H new ATOM 0 HG2 GLU A 107 15.906 -6.865 -4.791 1.00 10.00 H new ATOM 0 HG3 GLU A 107 14.299 -7.191 -4.173 1.00 10.00 H new ATOM 1336 N LEU A 108 14.423 -2.463 -3.212 1.00 10.00 N ATOM 1337 CA LEU A 108 14.133 -1.036 -3.174 1.00 10.00 C ATOM 1338 C LEU A 108 15.348 -0.245 -2.701 1.00 10.00 C ATOM 1339 O LEU A 108 15.798 0.669 -3.384 1.00 10.00 O ATOM 1340 CB LEU A 108 12.949 -0.772 -2.239 1.00 10.00 C ATOM 1341 CG LEU A 108 11.584 -0.570 -2.902 1.00 10.00 C ATOM 1342 CD1 LEU A 108 11.448 0.853 -3.409 1.00 10.00 C ATOM 1343 CD2 LEU A 108 11.366 -1.563 -4.034 1.00 10.00 C ATOM 0 H LEU A 108 13.764 -3.035 -2.683 1.00 10.00 H new ATOM 0 HA LEU A 108 13.882 -0.710 -4.183 1.00 10.00 H new ATOM 0 HB2 LEU A 108 12.870 -1.609 -1.545 1.00 10.00 H new ATOM 0 HB3 LEU A 108 13.174 0.114 -1.646 1.00 10.00 H new ATOM 0 HG LEU A 108 10.816 -0.749 -2.150 1.00 10.00 H new ATOM 0 HD11 LEU A 108 10.472 0.981 -3.878 1.00 10.00 H new ATOM 0 HD12 LEU A 108 11.543 1.547 -2.574 1.00 10.00 H new ATOM 0 HD13 LEU A 108 12.231 1.055 -4.140 1.00 10.00 H new ATOM 0 HD21 LEU A 108 10.388 -1.393 -4.484 1.00 10.00 H new ATOM 0 HD22 LEU A 108 12.141 -1.430 -4.789 1.00 10.00 H new ATOM 0 HD23 LEU A 108 11.413 -2.579 -3.641 1.00 10.00 H new ATOM 1355 N SER A 109 15.879 -0.615 -1.541 1.00 10.00 N ATOM 1356 CA SER A 109 17.039 0.059 -0.973 1.00 10.00 C ATOM 1357 C SER A 109 18.263 -0.066 -1.875 1.00 10.00 C ATOM 1358 O SER A 109 19.063 0.859 -1.964 1.00 10.00 O ATOM 1359 CB SER A 109 17.351 -0.507 0.410 1.00 10.00 C ATOM 1360 OG SER A 109 16.218 -0.421 1.249 1.00 10.00 O ATOM 0 H SER A 109 15.521 -1.383 -0.973 1.00 10.00 H new ATOM 0 HA SER A 109 16.796 1.118 -0.886 1.00 10.00 H new ATOM 0 HB2 SER A 109 17.666 -1.547 0.321 1.00 10.00 H new ATOM 0 HB3 SER A 109 18.182 0.041 0.854 1.00 10.00 H new ATOM 0 HG SER A 109 15.605 -1.159 1.048 1.00 10.00 H new ATOM 1366 N ALA A 110 18.398 -1.201 -2.552 1.00 10.00 N ATOM 1367 CA ALA A 110 19.532 -1.427 -3.442 1.00 10.00 C ATOM 1368 C ALA A 110 19.564 -0.395 -4.565 1.00 10.00 C ATOM 1369 O ALA A 110 20.631 0.061 -4.982 1.00 10.00 O ATOM 1370 CB ALA A 110 19.486 -2.839 -4.012 1.00 10.00 C ATOM 0 H ALA A 110 17.738 -1.977 -2.502 1.00 10.00 H new ATOM 0 HA ALA A 110 20.447 -1.316 -2.860 1.00 10.00 H new ATOM 0 HB1 ALA A 110 20.338 -2.992 -4.674 1.00 10.00 H new ATOM 0 HB2 ALA A 110 19.525 -3.562 -3.197 1.00 10.00 H new ATOM 0 HB3 ALA A 110 18.562 -2.975 -4.574 1.00 10.00 H new ATOM 1376 N VAL A 111 18.388 -0.026 -5.050 1.00 10.00 N ATOM 1377 CA VAL A 111 18.270 0.953 -6.121 1.00 10.00 C ATOM 1378 C VAL A 111 18.209 2.376 -5.560 1.00 10.00 C ATOM 1379 O VAL A 111 18.946 3.263 -5.990 1.00 10.00 O ATOM 1380 CB VAL A 111 17.003 0.703 -6.970 1.00 10.00 C ATOM 1381 CG1 VAL A 111 17.018 1.561 -8.220 1.00 10.00 C ATOM 1382 CG2 VAL A 111 16.858 -0.766 -7.339 1.00 10.00 C ATOM 0 H VAL A 111 17.496 -0.392 -4.717 1.00 10.00 H new ATOM 0 HA VAL A 111 19.154 0.845 -6.749 1.00 10.00 H new ATOM 0 HB VAL A 111 16.142 0.982 -6.363 1.00 10.00 H new ATOM 0 HG11 VAL A 111 16.117 1.370 -8.803 1.00 10.00 H new ATOM 0 HG12 VAL A 111 17.051 2.613 -7.938 1.00 10.00 H new ATOM 0 HG13 VAL A 111 17.896 1.317 -8.818 1.00 10.00 H new ATOM 0 HG21 VAL A 111 15.956 -0.904 -7.936 1.00 10.00 H new ATOM 0 HG22 VAL A 111 17.727 -1.084 -7.916 1.00 10.00 H new ATOM 0 HG23 VAL A 111 16.787 -1.364 -6.430 1.00 10.00 H new ATOM 1392 N TYR A 112 17.335 2.558 -4.578 1.00 10.00 N ATOM 1393 CA TYR A 112 17.100 3.855 -3.939 1.00 10.00 C ATOM 1394 C TYR A 112 18.327 4.418 -3.232 1.00 10.00 C ATOM 1395 O TYR A 112 18.412 5.627 -3.006 1.00 10.00 O ATOM 1396 CB TYR A 112 15.928 3.755 -2.973 1.00 10.00 C ATOM 1397 CG TYR A 112 14.599 3.989 -3.650 1.00 10.00 C ATOM 1398 CD1 TYR A 112 14.409 3.647 -4.985 1.00 10.00 C ATOM 1399 CD2 TYR A 112 13.541 4.560 -2.965 1.00 10.00 C ATOM 1400 CE1 TYR A 112 13.202 3.864 -5.612 1.00 10.00 C ATOM 1401 CE2 TYR A 112 12.330 4.782 -3.587 1.00 10.00 C ATOM 1402 CZ TYR A 112 12.164 4.434 -4.908 1.00 10.00 C ATOM 1403 OH TYR A 112 10.959 4.660 -5.532 1.00 10.00 O ATOM 0 H TYR A 112 16.762 1.805 -4.196 1.00 10.00 H new ATOM 0 HA TYR A 112 16.864 4.557 -4.739 1.00 10.00 H new ATOM 0 HB2 TYR A 112 15.927 2.769 -2.509 1.00 10.00 H new ATOM 0 HB3 TYR A 112 16.058 4.484 -2.173 1.00 10.00 H new ATOM 0 HD1 TYR A 112 15.223 3.203 -5.540 1.00 10.00 H new ATOM 0 HD2 TYR A 112 13.665 4.836 -1.928 1.00 10.00 H new ATOM 0 HE1 TYR A 112 13.070 3.589 -6.648 1.00 10.00 H new ATOM 0 HE2 TYR A 112 11.514 5.228 -3.038 1.00 10.00 H new ATOM 0 HH TYR A 112 10.675 5.584 -5.371 1.00 10.00 H new ATOM 1413 N ALA A 113 19.252 3.548 -2.844 1.00 10.00 N ATOM 1414 CA ALA A 113 20.481 3.971 -2.173 1.00 10.00 C ATOM 1415 C ALA A 113 21.231 5.012 -3.002 1.00 10.00 C ATOM 1416 O ALA A 113 22.025 5.782 -2.472 1.00 10.00 O ATOM 1417 CB ALA A 113 21.388 2.782 -1.898 1.00 10.00 C ATOM 0 H ALA A 113 19.176 2.540 -2.982 1.00 10.00 H new ATOM 0 HA ALA A 113 20.195 4.422 -1.223 1.00 10.00 H new ATOM 0 HB1 ALA A 113 22.295 3.124 -1.399 1.00 10.00 H new ATOM 0 HB2 ALA A 113 20.869 2.068 -1.258 1.00 10.00 H new ATOM 0 HB3 ALA A 113 21.652 2.300 -2.839 1.00 10.00 H new ATOM 1423 N ALA A 114 20.973 5.020 -4.304 1.00 10.00 N ATOM 1424 CA ALA A 114 21.601 5.972 -5.204 1.00 10.00 C ATOM 1425 C ALA A 114 21.064 7.376 -4.954 1.00 10.00 C ATOM 1426 O ALA A 114 21.802 8.360 -5.014 1.00 10.00 O ATOM 1427 CB ALA A 114 21.355 5.562 -6.647 1.00 10.00 C ATOM 0 H ALA A 114 20.329 4.373 -4.760 1.00 10.00 H new ATOM 0 HA ALA A 114 22.675 5.976 -5.016 1.00 10.00 H new ATOM 0 HB1 ALA A 114 21.829 6.281 -7.315 1.00 10.00 H new ATOM 0 HB2 ALA A 114 21.777 4.572 -6.821 1.00 10.00 H new ATOM 0 HB3 ALA A 114 20.283 5.539 -6.841 1.00 10.00 H new ATOM 1433 N GLN A 115 19.772 7.455 -4.660 1.00 10.00 N ATOM 1434 CA GLN A 115 19.119 8.731 -4.398 1.00 10.00 C ATOM 1435 C GLN A 115 19.282 9.122 -2.935 1.00 10.00 C ATOM 1436 O GLN A 115 19.200 10.299 -2.575 1.00 10.00 O ATOM 1437 CB GLN A 115 17.630 8.660 -4.759 1.00 10.00 C ATOM 1438 CG GLN A 115 17.361 8.598 -6.258 1.00 10.00 C ATOM 1439 CD GLN A 115 17.652 7.232 -6.859 1.00 10.00 C ATOM 1440 OE1 GLN A 115 17.514 6.207 -6.194 1.00 10.00 O ATOM 1441 NE2 GLN A 115 18.059 7.211 -8.119 1.00 10.00 N ATOM 0 H GLN A 115 19.154 6.646 -4.597 1.00 10.00 H new ATOM 0 HA GLN A 115 19.593 9.490 -5.020 1.00 10.00 H new ATOM 0 HB2 GLN A 115 17.193 7.782 -4.285 1.00 10.00 H new ATOM 0 HB3 GLN A 115 17.124 9.532 -4.345 1.00 10.00 H new ATOM 0 HG2 GLN A 115 16.319 8.856 -6.445 1.00 10.00 H new ATOM 0 HG3 GLN A 115 17.971 9.348 -6.762 1.00 10.00 H new ATOM 0 HE21 GLN A 115 18.161 8.084 -8.637 1.00 10.00 H new ATOM 0 HE22 GLN A 115 18.271 6.322 -8.572 1.00 10.00 H new ATOM 1450 N GLY A 116 19.515 8.127 -2.094 1.00 10.00 N ATOM 1451 CA GLY A 116 19.696 8.383 -0.680 1.00 10.00 C ATOM 1452 C GLY A 116 18.518 7.934 0.159 1.00 10.00 C ATOM 1453 O GLY A 116 18.234 8.521 1.203 1.00 10.00 O ATOM 0 H GLY A 116 19.582 7.146 -2.365 1.00 10.00 H new ATOM 0 HA2 GLY A 116 20.595 7.872 -0.336 1.00 10.00 H new ATOM 0 HA3 GLY A 116 19.858 9.450 -0.528 1.00 10.00 H new ATOM 1457 N VAL A 117 17.836 6.891 -0.284 1.00 10.00 N ATOM 1458 CA VAL A 117 16.687 6.372 0.441 1.00 10.00 C ATOM 1459 C VAL A 117 16.868 4.886 0.736 1.00 10.00 C ATOM 1460 O VAL A 117 17.305 4.122 -0.124 1.00 10.00 O ATOM 1461 CB VAL A 117 15.375 6.578 -0.350 1.00 10.00 C ATOM 1462 CG1 VAL A 117 14.191 5.971 0.391 1.00 10.00 C ATOM 1463 CG2 VAL A 117 15.129 8.058 -0.622 1.00 10.00 C ATOM 0 H VAL A 117 18.058 6.387 -1.142 1.00 10.00 H new ATOM 0 HA VAL A 117 16.618 6.926 1.377 1.00 10.00 H new ATOM 0 HB VAL A 117 15.480 6.066 -1.307 1.00 10.00 H new ATOM 0 HG11 VAL A 117 13.280 6.130 -0.187 1.00 10.00 H new ATOM 0 HG12 VAL A 117 14.355 4.902 0.524 1.00 10.00 H new ATOM 0 HG13 VAL A 117 14.089 6.447 1.366 1.00 10.00 H new ATOM 0 HG21 VAL A 117 14.200 8.176 -1.180 1.00 10.00 H new ATOM 0 HG22 VAL A 117 15.055 8.594 0.324 1.00 10.00 H new ATOM 0 HG23 VAL A 117 15.956 8.463 -1.205 1.00 10.00 H new ATOM 1473 N SER A 118 16.556 4.491 1.958 1.00 10.00 N ATOM 1474 CA SER A 118 16.659 3.105 2.369 1.00 10.00 C ATOM 1475 C SER A 118 15.373 2.674 3.069 1.00 10.00 C ATOM 1476 O SER A 118 14.858 3.381 3.937 1.00 10.00 O ATOM 1477 CB SER A 118 17.884 2.912 3.264 1.00 10.00 C ATOM 1478 OG SER A 118 19.053 2.807 2.471 1.00 10.00 O ATOM 0 H SER A 118 16.226 5.120 2.689 1.00 10.00 H new ATOM 0 HA SER A 118 16.789 2.472 1.491 1.00 10.00 H new ATOM 0 HB2 SER A 118 17.977 3.751 3.953 1.00 10.00 H new ATOM 0 HB3 SER A 118 17.764 2.014 3.870 1.00 10.00 H new ATOM 0 HG SER A 118 18.866 3.137 1.567 1.00 10.00 H new ATOM 1484 N VAL A 119 14.851 1.525 2.670 1.00 10.00 N ATOM 1485 CA VAL A 119 13.609 1.009 3.229 1.00 10.00 C ATOM 1486 C VAL A 119 13.813 -0.380 3.829 1.00 10.00 C ATOM 1487 O VAL A 119 14.554 -1.204 3.291 1.00 10.00 O ATOM 1488 CB VAL A 119 12.500 0.954 2.154 1.00 10.00 C ATOM 1489 CG1 VAL A 119 12.021 2.352 1.808 1.00 10.00 C ATOM 1490 CG2 VAL A 119 12.993 0.251 0.905 1.00 10.00 C ATOM 0 H VAL A 119 15.270 0.928 1.957 1.00 10.00 H new ATOM 0 HA VAL A 119 13.299 1.691 4.021 1.00 10.00 H new ATOM 0 HB VAL A 119 11.664 0.387 2.564 1.00 10.00 H new ATOM 0 HG11 VAL A 119 11.240 2.292 1.050 1.00 10.00 H new ATOM 0 HG12 VAL A 119 11.622 2.832 2.702 1.00 10.00 H new ATOM 0 HG13 VAL A 119 12.856 2.938 1.424 1.00 10.00 H new ATOM 0 HG21 VAL A 119 12.195 0.225 0.163 1.00 10.00 H new ATOM 0 HG22 VAL A 119 13.849 0.790 0.498 1.00 10.00 H new ATOM 0 HG23 VAL A 119 13.290 -0.768 1.154 1.00 10.00 H new ATOM 1500 N SER A 120 13.172 -0.633 4.956 1.00 10.00 N ATOM 1501 CA SER A 120 13.285 -1.922 5.623 1.00 10.00 C ATOM 1502 C SER A 120 11.968 -2.292 6.289 1.00 10.00 C ATOM 1503 O SER A 120 11.098 -1.442 6.478 1.00 10.00 O ATOM 1504 CB SER A 120 14.412 -1.877 6.662 1.00 10.00 C ATOM 1505 OG SER A 120 15.583 -1.282 6.124 1.00 10.00 O ATOM 0 H SER A 120 12.567 0.037 5.431 1.00 10.00 H new ATOM 0 HA SER A 120 13.521 -2.683 4.879 1.00 10.00 H new ATOM 0 HB2 SER A 120 14.083 -1.314 7.535 1.00 10.00 H new ATOM 0 HB3 SER A 120 14.638 -2.888 7.002 1.00 10.00 H new ATOM 0 HG SER A 120 16.285 -1.265 6.808 1.00 10.00 H new ATOM 1511 N VAL A 121 11.816 -3.561 6.636 1.00 10.00 N ATOM 1512 CA VAL A 121 10.604 -4.035 7.282 1.00 10.00 C ATOM 1513 C VAL A 121 10.943 -4.587 8.657 1.00 10.00 C ATOM 1514 O VAL A 121 11.843 -5.417 8.793 1.00 10.00 O ATOM 1515 CB VAL A 121 9.905 -5.137 6.459 1.00 10.00 C ATOM 1516 CG1 VAL A 121 8.460 -5.316 6.907 1.00 10.00 C ATOM 1517 CG2 VAL A 121 9.987 -4.840 4.970 1.00 10.00 C ATOM 0 H VAL A 121 12.520 -4.282 6.480 1.00 10.00 H new ATOM 0 HA VAL A 121 9.923 -3.188 7.365 1.00 10.00 H new ATOM 0 HB VAL A 121 10.428 -6.076 6.639 1.00 10.00 H new ATOM 0 HG11 VAL A 121 7.989 -6.098 6.312 1.00 10.00 H new ATOM 0 HG12 VAL A 121 8.438 -5.598 7.960 1.00 10.00 H new ATOM 0 HG13 VAL A 121 7.918 -4.380 6.770 1.00 10.00 H new ATOM 0 HG21 VAL A 121 9.487 -5.632 4.413 1.00 10.00 H new ATOM 0 HG22 VAL A 121 9.501 -3.887 4.762 1.00 10.00 H new ATOM 0 HG23 VAL A 121 11.033 -4.788 4.666 1.00 10.00 H new ATOM 1527 N SER A 122 10.246 -4.114 9.675 1.00 10.00 N ATOM 1528 CA SER A 122 10.492 -4.569 11.031 1.00 10.00 C ATOM 1529 C SER A 122 9.196 -4.613 11.839 1.00 10.00 C ATOM 1530 O SER A 122 8.524 -3.593 11.999 1.00 10.00 O ATOM 1531 CB SER A 122 11.512 -3.648 11.707 1.00 10.00 C ATOM 1532 OG SER A 122 12.697 -3.544 10.934 1.00 10.00 O ATOM 0 H SER A 122 9.507 -3.417 9.588 1.00 10.00 H new ATOM 0 HA SER A 122 10.894 -5.581 10.990 1.00 10.00 H new ATOM 0 HB2 SER A 122 11.077 -2.658 11.846 1.00 10.00 H new ATOM 0 HB3 SER A 122 11.753 -4.032 12.698 1.00 10.00 H new ATOM 0 HG SER A 122 13.331 -2.949 11.386 1.00 10.00 H new ATOM 1538 N ALA A 123 8.845 -5.808 12.312 1.00 10.00 N ATOM 1539 CA ALA A 123 7.645 -6.029 13.124 1.00 10.00 C ATOM 1540 C ALA A 123 6.373 -5.603 12.398 1.00 10.00 C ATOM 1541 O ALA A 123 5.537 -4.891 12.956 1.00 10.00 O ATOM 1542 CB ALA A 123 7.765 -5.310 14.459 1.00 10.00 C ATOM 0 H ALA A 123 9.387 -6.656 12.143 1.00 10.00 H new ATOM 0 HA ALA A 123 7.569 -7.101 13.305 1.00 10.00 H new ATOM 0 HB1 ALA A 123 6.865 -5.485 15.049 1.00 10.00 H new ATOM 0 HB2 ALA A 123 8.633 -5.689 15.000 1.00 10.00 H new ATOM 0 HB3 ALA A 123 7.883 -4.240 14.287 1.00 10.00 H new ATOM 1548 N ASN A 124 6.238 -6.047 11.151 1.00 10.00 N ATOM 1549 CA ASN A 124 5.068 -5.732 10.329 1.00 10.00 C ATOM 1550 C ASN A 124 4.930 -4.229 10.139 1.00 10.00 C ATOM 1551 O ASN A 124 3.825 -3.682 10.144 1.00 10.00 O ATOM 1552 CB ASN A 124 3.790 -6.316 10.948 1.00 10.00 C ATOM 1553 CG ASN A 124 3.682 -7.814 10.742 1.00 10.00 C ATOM 1554 OD1 ASN A 124 4.245 -8.365 9.797 1.00 10.00 O ATOM 1555 ND2 ASN A 124 2.952 -8.484 11.621 1.00 10.00 N ATOM 0 H ASN A 124 6.930 -6.631 10.682 1.00 10.00 H new ATOM 0 HA ASN A 124 5.213 -6.190 9.350 1.00 10.00 H new ATOM 0 HB2 ASN A 124 3.773 -6.096 12.016 1.00 10.00 H new ATOM 0 HB3 ASN A 124 2.920 -5.828 10.508 1.00 10.00 H new ATOM 0 HD21 ASN A 124 2.841 -9.494 11.528 1.00 10.00 H new ATOM 0 HD22 ASN A 124 2.501 -7.990 12.391 1.00 10.00 H new ATOM 1562 N LYS A 125 6.060 -3.566 9.976 1.00 10.00 N ATOM 1563 CA LYS A 125 6.082 -2.130 9.782 1.00 10.00 C ATOM 1564 C LYS A 125 7.220 -1.760 8.845 1.00 10.00 C ATOM 1565 O LYS A 125 8.328 -2.281 8.969 1.00 10.00 O ATOM 1566 CB LYS A 125 6.244 -1.409 11.122 1.00 10.00 C ATOM 1567 CG LYS A 125 5.963 0.082 11.052 1.00 10.00 C ATOM 1568 CD LYS A 125 6.309 0.781 12.357 1.00 10.00 C ATOM 1569 CE LYS A 125 5.453 2.019 12.569 1.00 10.00 C ATOM 1570 NZ LYS A 125 6.019 2.912 13.613 1.00 10.00 N ATOM 0 H LYS A 125 6.981 -4.004 9.974 1.00 10.00 H new ATOM 0 HA LYS A 125 5.136 -1.819 9.339 1.00 10.00 H new ATOM 0 HB2 LYS A 125 5.573 -1.862 11.852 1.00 10.00 H new ATOM 0 HB3 LYS A 125 7.260 -1.561 11.486 1.00 10.00 H new ATOM 0 HG2 LYS A 125 6.539 0.523 10.239 1.00 10.00 H new ATOM 0 HG3 LYS A 125 4.910 0.243 10.821 1.00 10.00 H new ATOM 0 HD2 LYS A 125 6.166 0.092 13.189 1.00 10.00 H new ATOM 0 HD3 LYS A 125 7.362 1.062 12.353 1.00 10.00 H new ATOM 0 HE2 LYS A 125 5.368 2.566 11.630 1.00 10.00 H new ATOM 0 HE3 LYS A 125 4.445 1.719 12.856 1.00 10.00 H new ATOM 0 HZ1 LYS A 125 5.406 3.744 13.727 1.00 10.00 H new ATOM 0 HZ2 LYS A 125 6.077 2.398 14.515 1.00 10.00 H new ATOM 0 HZ3 LYS A 125 6.971 3.219 13.328 1.00 10.00 H new ATOM 1584 N LEU A 126 6.939 -0.887 7.899 1.00 10.00 N ATOM 1585 CA LEU A 126 7.941 -0.455 6.948 1.00 10.00 C ATOM 1586 C LEU A 126 8.635 0.799 7.451 1.00 10.00 C ATOM 1587 O LEU A 126 7.987 1.804 7.735 1.00 10.00 O ATOM 1588 CB LEU A 126 7.298 -0.195 5.587 1.00 10.00 C ATOM 1589 CG LEU A 126 6.561 -1.390 4.983 1.00 10.00 C ATOM 1590 CD1 LEU A 126 5.831 -0.985 3.710 1.00 10.00 C ATOM 1591 CD2 LEU A 126 7.532 -2.524 4.704 1.00 10.00 C ATOM 0 H LEU A 126 6.021 -0.462 7.769 1.00 10.00 H new ATOM 0 HA LEU A 126 8.684 -1.245 6.838 1.00 10.00 H new ATOM 0 HB2 LEU A 126 6.597 0.634 5.685 1.00 10.00 H new ATOM 0 HB3 LEU A 126 8.073 0.125 4.891 1.00 10.00 H new ATOM 0 HG LEU A 126 5.821 -1.737 5.704 1.00 10.00 H new ATOM 0 HD11 LEU A 126 5.313 -1.850 3.297 1.00 10.00 H new ATOM 0 HD12 LEU A 126 5.106 -0.204 3.939 1.00 10.00 H new ATOM 0 HD13 LEU A 126 6.550 -0.610 2.982 1.00 10.00 H new ATOM 0 HD21 LEU A 126 6.992 -3.368 4.274 1.00 10.00 H new ATOM 0 HD22 LEU A 126 8.295 -2.186 4.002 1.00 10.00 H new ATOM 0 HD23 LEU A 126 8.007 -2.834 5.635 1.00 10.00 H new ATOM 1603 N LEU A 127 9.949 0.732 7.568 1.00 10.00 N ATOM 1604 CA LEU A 127 10.738 1.855 8.041 1.00 10.00 C ATOM 1605 C LEU A 127 11.496 2.489 6.888 1.00 10.00 C ATOM 1606 O LEU A 127 12.328 1.841 6.246 1.00 10.00 O ATOM 1607 CB LEU A 127 11.730 1.403 9.119 1.00 10.00 C ATOM 1608 CG LEU A 127 11.276 1.582 10.575 1.00 10.00 C ATOM 1609 CD1 LEU A 127 11.033 3.051 10.886 1.00 10.00 C ATOM 1610 CD2 LEU A 127 10.028 0.758 10.863 1.00 10.00 C ATOM 0 H LEU A 127 10.497 -0.098 7.339 1.00 10.00 H new ATOM 0 HA LEU A 127 10.058 2.590 8.472 1.00 10.00 H new ATOM 0 HB2 LEU A 127 11.955 0.349 8.957 1.00 10.00 H new ATOM 0 HB3 LEU A 127 12.661 1.953 8.980 1.00 10.00 H new ATOM 0 HG LEU A 127 12.075 1.222 11.223 1.00 10.00 H new ATOM 0 HD11 LEU A 127 10.712 3.155 11.922 1.00 10.00 H new ATOM 0 HD12 LEU A 127 11.955 3.613 10.733 1.00 10.00 H new ATOM 0 HD13 LEU A 127 10.258 3.439 10.225 1.00 10.00 H new ATOM 0 HD21 LEU A 127 9.728 0.903 11.901 1.00 10.00 H new ATOM 0 HD22 LEU A 127 9.221 1.078 10.204 1.00 10.00 H new ATOM 0 HD23 LEU A 127 10.241 -0.297 10.691 1.00 10.00 H new ATOM 1622 N VAL A 128 11.183 3.739 6.604 1.00 10.00 N ATOM 1623 CA VAL A 128 11.848 4.468 5.535 1.00 10.00 C ATOM 1624 C VAL A 128 12.816 5.477 6.134 1.00 10.00 C ATOM 1625 O VAL A 128 12.408 6.377 6.871 1.00 10.00 O ATOM 1626 CB VAL A 128 10.836 5.210 4.635 1.00 10.00 C ATOM 1627 CG1 VAL A 128 11.501 5.690 3.356 1.00 10.00 C ATOM 1628 CG2 VAL A 128 9.644 4.321 4.317 1.00 10.00 C ATOM 0 H VAL A 128 10.470 4.274 7.099 1.00 10.00 H new ATOM 0 HA VAL A 128 12.384 3.745 4.921 1.00 10.00 H new ATOM 0 HB VAL A 128 10.476 6.083 5.180 1.00 10.00 H new ATOM 0 HG11 VAL A 128 10.769 6.210 2.738 1.00 10.00 H new ATOM 0 HG12 VAL A 128 12.316 6.371 3.603 1.00 10.00 H new ATOM 0 HG13 VAL A 128 11.896 4.835 2.808 1.00 10.00 H new ATOM 0 HG21 VAL A 128 8.944 4.864 3.682 1.00 10.00 H new ATOM 0 HG22 VAL A 128 9.986 3.426 3.797 1.00 10.00 H new ATOM 0 HG23 VAL A 128 9.146 4.035 5.243 1.00 10.00 H new ATOM 1638 N GLN A 129 14.092 5.335 5.810 1.00 10.00 N ATOM 1639 CA GLN A 129 15.113 6.225 6.339 1.00 10.00 C ATOM 1640 C GLN A 129 16.065 6.674 5.236 1.00 10.00 C ATOM 1641 O GLN A 129 16.420 5.888 4.359 1.00 10.00 O ATOM 1642 CB GLN A 129 15.917 5.515 7.437 1.00 10.00 C ATOM 1643 CG GLN A 129 15.077 4.643 8.360 1.00 10.00 C ATOM 1644 CD GLN A 129 15.742 3.314 8.667 1.00 10.00 C ATOM 1645 OE1 GLN A 129 16.511 2.785 7.861 1.00 10.00 O ATOM 1646 NE2 GLN A 129 15.453 2.763 9.833 1.00 10.00 N ATOM 0 H GLN A 129 14.445 4.612 5.183 1.00 10.00 H new ATOM 0 HA GLN A 129 14.613 7.099 6.756 1.00 10.00 H new ATOM 0 HB2 GLN A 129 16.683 4.897 6.969 1.00 10.00 H new ATOM 0 HB3 GLN A 129 16.435 6.265 8.035 1.00 10.00 H new ATOM 0 HG2 GLN A 129 14.893 5.178 9.292 1.00 10.00 H new ATOM 0 HG3 GLN A 129 14.106 4.462 7.899 1.00 10.00 H new ATOM 0 HE21 GLN A 129 14.812 3.231 10.473 1.00 10.00 H new ATOM 0 HE22 GLN A 129 15.871 1.869 10.092 1.00 10.00 H new ATOM 1655 N PRO A 130 16.474 7.947 5.247 1.00 10.00 N ATOM 1656 CA PRO A 130 17.408 8.472 4.259 1.00 10.00 C ATOM 1657 C PRO A 130 18.851 8.106 4.610 1.00 10.00 C ATOM 1658 O PRO A 130 19.234 8.121 5.782 1.00 10.00 O ATOM 1659 CB PRO A 130 17.193 9.982 4.347 1.00 10.00 C ATOM 1660 CG PRO A 130 16.757 10.225 5.754 1.00 10.00 C ATOM 1661 CD PRO A 130 16.043 8.978 6.209 1.00 10.00 C ATOM 0 HA PRO A 130 17.240 8.069 3.260 1.00 10.00 H new ATOM 0 HB2 PRO A 130 18.109 10.526 4.118 1.00 10.00 H new ATOM 0 HB3 PRO A 130 16.438 10.316 3.636 1.00 10.00 H new ATOM 0 HG2 PRO A 130 17.614 10.435 6.394 1.00 10.00 H new ATOM 0 HG3 PRO A 130 16.097 11.091 5.810 1.00 10.00 H new ATOM 0 HD2 PRO A 130 16.318 8.711 7.229 1.00 10.00 H new ATOM 0 HD3 PRO A 130 14.961 9.110 6.194 1.00 10.00 H new ATOM 1669 N VAL A 131 19.644 7.764 3.608 1.00 10.00 N ATOM 1670 CA VAL A 131 21.033 7.402 3.843 1.00 10.00 C ATOM 1671 C VAL A 131 21.975 8.490 3.330 1.00 10.00 C ATOM 1672 O VAL A 131 21.689 9.146 2.325 1.00 10.00 O ATOM 1673 CB VAL A 131 21.406 6.055 3.194 1.00 10.00 C ATOM 1674 CG1 VAL A 131 20.851 4.907 4.013 1.00 10.00 C ATOM 1675 CG2 VAL A 131 20.910 5.978 1.761 1.00 10.00 C ATOM 0 H VAL A 131 19.353 7.729 2.631 1.00 10.00 H new ATOM 0 HA VAL A 131 21.146 7.300 4.922 1.00 10.00 H new ATOM 0 HB VAL A 131 22.493 5.978 3.173 1.00 10.00 H new ATOM 0 HG11 VAL A 131 21.122 3.961 3.544 1.00 10.00 H new ATOM 0 HG12 VAL A 131 21.266 4.944 5.020 1.00 10.00 H new ATOM 0 HG13 VAL A 131 19.765 4.989 4.065 1.00 10.00 H new ATOM 0 HG21 VAL A 131 21.189 5.016 1.331 1.00 10.00 H new ATOM 0 HG22 VAL A 131 19.825 6.082 1.745 1.00 10.00 H new ATOM 0 HG23 VAL A 131 21.360 6.781 1.177 1.00 10.00 H new