USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=27 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 -43:sc= 1.17 USER MOD Set 1.2: A 66 THR OG1 : rot 180:sc= 1.1 USER MOD Set 2.1: A 56 GLN : amide:sc= 0.74 X(o=1.5,f=1.8) USER MOD Set 2.2: A 97 SER OG : rot 150:sc= 0.77 USER MOD Set 3.1: A 55 TYR OH : rot 180:sc= 0.996 USER MOD Set 3.2: A 75 SER OG : rot 111:sc= 1.16 USER MOD Single : A 53 TYR OH : rot 30:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 9:sc= -0.252 USER MOD Single : A 60 MET CE :methyl -175:sc= 0 (180deg=-0.0577) USER MOD Single : A 65 LYS NZ :NH3+ 163:sc= 1.18 (180deg=0.913) USER MOD Single : A 67 MET CE :methyl -129:sc= -0.983 (180deg=-2.86!) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 MET CE :methyl -178:sc= -0.657 (180deg=-0.72) USER MOD Single : A 78 GLN : amide:sc= -0.272 X(o=-0.27,f=-0.57) USER MOD Single : A 80 SER OG : rot 29:sc= -1.94! USER MOD Single : A 81 TYR OH : rot -155:sc= -0.146 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 85 SER OG : rot 180:sc= -0.0593 USER MOD Single : A 87 TYR OH : rot 30:sc= -1.01 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.0657 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot -170:sc=0.000883 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.0936 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= -0.0111 K(o=-0.011,f=-1.4) USER MOD Single : A 106 THR OG1 : rot 74:sc= 1.29 USER MOD Single : A 109 SER OG : rot 87:sc= 1.84 USER MOD Single : A 112 TYR OH : rot -130:sc=-0.00441 USER MOD Single : A 115 GLN : amide:sc= -0.0672 K(o=-0.067,f=-0.89) USER MOD Single : A 118 SER OG : rot 23:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= -0.0299 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -0.292 K(o=-0.29,f=-2.8!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 GLN : amide:sc= -0.0144 K(o=-0.014,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 510 N TYR A 53 0.604 -11.484 -1.698 1.00 10.00 N ATOM 511 CA TYR A 53 0.473 -10.239 -2.436 1.00 10.00 C ATOM 512 C TYR A 53 1.830 -9.809 -2.990 1.00 10.00 C ATOM 513 O TYR A 53 2.806 -9.693 -2.244 1.00 10.00 O ATOM 514 CB TYR A 53 -0.114 -9.145 -1.534 1.00 10.00 C ATOM 515 CG TYR A 53 -0.186 -7.780 -2.183 1.00 10.00 C ATOM 516 CD1 TYR A 53 -0.797 -7.608 -3.418 1.00 10.00 C ATOM 517 CD2 TYR A 53 0.360 -6.666 -1.560 1.00 10.00 C ATOM 518 CE1 TYR A 53 -0.862 -6.362 -4.014 1.00 10.00 C ATOM 519 CE2 TYR A 53 0.300 -5.417 -2.148 1.00 10.00 C ATOM 520 CZ TYR A 53 -0.311 -5.271 -3.375 1.00 10.00 C ATOM 521 OH TYR A 53 -0.367 -4.028 -3.968 1.00 10.00 O ATOM 0 HA TYR A 53 -0.208 -10.396 -3.273 1.00 10.00 H new ATOM 0 HB2 TYR A 53 -1.117 -9.442 -1.226 1.00 10.00 H new ATOM 0 HB3 TYR A 53 0.489 -9.073 -0.629 1.00 10.00 H new ATOM 0 HD1 TYR A 53 -1.228 -8.461 -3.921 1.00 10.00 H new ATOM 0 HD2 TYR A 53 0.840 -6.778 -0.599 1.00 10.00 H new ATOM 0 HE1 TYR A 53 -1.342 -6.244 -4.974 1.00 10.00 H new ATOM 0 HE2 TYR A 53 0.729 -4.561 -1.649 1.00 10.00 H new ATOM 0 HH TYR A 53 -1.171 -3.967 -4.525 1.00 10.00 H new ATOM 531 N THR A 54 1.889 -9.602 -4.297 1.00 10.00 N ATOM 532 CA THR A 54 3.118 -9.185 -4.951 1.00 10.00 C ATOM 533 C THR A 54 3.370 -7.696 -4.717 1.00 10.00 C ATOM 534 O THR A 54 2.527 -6.856 -5.032 1.00 10.00 O ATOM 535 CB THR A 54 3.062 -9.464 -6.467 1.00 10.00 C ATOM 536 OG1 THR A 54 2.598 -10.802 -6.697 1.00 10.00 O ATOM 537 CG2 THR A 54 4.431 -9.280 -7.111 1.00 10.00 C ATOM 0 H THR A 54 1.095 -9.717 -4.927 1.00 10.00 H new ATOM 0 HA THR A 54 3.935 -9.762 -4.518 1.00 10.00 H new ATOM 0 HB THR A 54 2.372 -8.751 -6.919 1.00 10.00 H new ATOM 0 HG1 THR A 54 2.562 -10.975 -7.661 1.00 10.00 H new ATOM 0 HG21 THR A 54 4.361 -9.483 -8.180 1.00 10.00 H new ATOM 0 HG22 THR A 54 4.770 -8.255 -6.958 1.00 10.00 H new ATOM 0 HG23 THR A 54 5.143 -9.969 -6.657 1.00 10.00 H new ATOM 545 N TYR A 55 4.523 -7.378 -4.152 1.00 10.00 N ATOM 546 CA TYR A 55 4.886 -5.997 -3.877 1.00 10.00 C ATOM 547 C TYR A 55 5.666 -5.429 -5.050 1.00 10.00 C ATOM 548 O TYR A 55 6.740 -5.927 -5.392 1.00 10.00 O ATOM 549 CB TYR A 55 5.710 -5.910 -2.589 1.00 10.00 C ATOM 550 CG TYR A 55 5.004 -6.496 -1.388 1.00 10.00 C ATOM 551 CD1 TYR A 55 3.962 -5.817 -0.771 1.00 10.00 C ATOM 552 CD2 TYR A 55 5.380 -7.729 -0.873 1.00 10.00 C ATOM 553 CE1 TYR A 55 3.315 -6.350 0.326 1.00 10.00 C ATOM 554 CE2 TYR A 55 4.736 -8.269 0.224 1.00 10.00 C ATOM 555 CZ TYR A 55 3.705 -7.575 0.820 1.00 10.00 C ATOM 556 OH TYR A 55 3.065 -8.112 1.914 1.00 10.00 O ATOM 0 H TYR A 55 5.227 -8.061 -3.873 1.00 10.00 H new ATOM 0 HA TYR A 55 3.978 -5.409 -3.741 1.00 10.00 H new ATOM 0 HB2 TYR A 55 6.656 -6.431 -2.735 1.00 10.00 H new ATOM 0 HB3 TYR A 55 5.948 -4.866 -2.388 1.00 10.00 H new ATOM 0 HD1 TYR A 55 3.653 -4.856 -1.155 1.00 10.00 H new ATOM 0 HD2 TYR A 55 6.188 -8.275 -1.337 1.00 10.00 H new ATOM 0 HE1 TYR A 55 2.507 -5.809 0.795 1.00 10.00 H new ATOM 0 HE2 TYR A 55 5.039 -9.230 0.612 1.00 10.00 H new ATOM 0 HH TYR A 55 3.463 -8.981 2.132 1.00 10.00 H new ATOM 566 N GLN A 56 5.105 -4.407 -5.679 1.00 10.00 N ATOM 567 CA GLN A 56 5.730 -3.771 -6.828 1.00 10.00 C ATOM 568 C GLN A 56 5.188 -2.365 -7.021 1.00 10.00 C ATOM 569 O GLN A 56 4.166 -2.002 -6.435 1.00 10.00 O ATOM 570 CB GLN A 56 5.454 -4.575 -8.097 1.00 10.00 C ATOM 571 CG GLN A 56 3.981 -4.879 -8.318 1.00 10.00 C ATOM 572 CD GLN A 56 3.621 -5.029 -9.782 1.00 10.00 C ATOM 573 OE1 GLN A 56 2.511 -4.692 -10.193 1.00 10.00 O ATOM 574 NE2 GLN A 56 4.545 -5.541 -10.578 1.00 10.00 N ATOM 0 H GLN A 56 4.210 -3.998 -5.410 1.00 10.00 H new ATOM 0 HA GLN A 56 6.803 -3.729 -6.642 1.00 10.00 H new ATOM 0 HB2 GLN A 56 5.835 -4.023 -8.956 1.00 10.00 H new ATOM 0 HB3 GLN A 56 6.007 -5.513 -8.050 1.00 10.00 H new ATOM 0 HG2 GLN A 56 3.722 -5.797 -7.790 1.00 10.00 H new ATOM 0 HG3 GLN A 56 3.381 -4.080 -7.882 1.00 10.00 H new ATOM 0 HE21 GLN A 56 5.454 -5.808 -10.199 1.00 10.00 H new ATOM 0 HE22 GLN A 56 4.349 -5.669 -11.571 1.00 10.00 H new ATOM 583 N ALA A 57 5.873 -1.579 -7.836 1.00 10.00 N ATOM 584 CA ALA A 57 5.426 -0.234 -8.134 1.00 10.00 C ATOM 585 C ALA A 57 4.307 -0.308 -9.160 1.00 10.00 C ATOM 586 O ALA A 57 4.473 -0.893 -10.232 1.00 10.00 O ATOM 587 CB ALA A 57 6.574 0.621 -8.643 1.00 10.00 C ATOM 0 H ALA A 57 6.739 -1.851 -8.301 1.00 10.00 H new ATOM 0 HA ALA A 57 5.054 0.235 -7.223 1.00 10.00 H new ATOM 0 HB1 ALA A 57 6.211 1.626 -8.859 1.00 10.00 H new ATOM 0 HB2 ALA A 57 7.354 0.672 -7.883 1.00 10.00 H new ATOM 0 HB3 ALA A 57 6.982 0.179 -9.552 1.00 10.00 H new ATOM 593 N THR A 58 3.175 0.270 -8.829 1.00 10.00 N ATOM 594 CA THR A 58 2.020 0.235 -9.701 1.00 10.00 C ATOM 595 C THR A 58 1.818 1.584 -10.385 1.00 10.00 C ATOM 596 O THR A 58 2.387 2.581 -9.969 1.00 10.00 O ATOM 597 CB THR A 58 0.764 -0.137 -8.889 1.00 10.00 C ATOM 598 OG1 THR A 58 0.607 0.769 -7.784 1.00 10.00 O ATOM 599 CG2 THR A 58 0.865 -1.564 -8.366 1.00 10.00 C ATOM 0 H THR A 58 3.028 0.774 -7.955 1.00 10.00 H new ATOM 0 HA THR A 58 2.189 -0.518 -10.470 1.00 10.00 H new ATOM 0 HB THR A 58 -0.103 -0.064 -9.546 1.00 10.00 H new ATOM 0 HG1 THR A 58 1.244 1.508 -7.874 1.00 10.00 H new ATOM 0 HG21 THR A 58 -0.032 -1.807 -7.796 1.00 10.00 H new ATOM 0 HG22 THR A 58 0.959 -2.253 -9.205 1.00 10.00 H new ATOM 0 HG23 THR A 58 1.740 -1.655 -7.722 1.00 10.00 H new ATOM 607 N PRO A 59 1.026 1.647 -11.456 1.00 10.00 N ATOM 608 CA PRO A 59 0.767 2.909 -12.150 1.00 10.00 C ATOM 609 C PRO A 59 -0.300 3.746 -11.442 1.00 10.00 C ATOM 610 O PRO A 59 -0.809 4.720 -11.997 1.00 10.00 O ATOM 611 CB PRO A 59 0.270 2.445 -13.516 1.00 10.00 C ATOM 612 CG PRO A 59 -0.403 1.142 -13.247 1.00 10.00 C ATOM 613 CD PRO A 59 0.354 0.506 -12.110 1.00 10.00 C ATOM 0 HA PRO A 59 1.646 3.552 -12.193 1.00 10.00 H new ATOM 0 HB2 PRO A 59 -0.421 3.166 -13.952 1.00 10.00 H new ATOM 0 HB3 PRO A 59 1.094 2.328 -14.219 1.00 10.00 H new ATOM 0 HG2 PRO A 59 -1.450 1.292 -12.982 1.00 10.00 H new ATOM 0 HG3 PRO A 59 -0.386 0.505 -14.131 1.00 10.00 H new ATOM 0 HD2 PRO A 59 -0.315 -0.012 -11.423 1.00 10.00 H new ATOM 0 HD3 PRO A 59 1.073 -0.230 -12.470 1.00 10.00 H new ATOM 621 N MET A 60 -0.640 3.356 -10.214 1.00 10.00 N ATOM 622 CA MET A 60 -1.664 4.057 -9.452 1.00 10.00 C ATOM 623 C MET A 60 -1.103 4.790 -8.230 1.00 10.00 C ATOM 624 O MET A 60 -1.759 5.683 -7.696 1.00 10.00 O ATOM 625 CB MET A 60 -2.754 3.075 -9.011 1.00 10.00 C ATOM 626 CG MET A 60 -2.268 2.016 -8.030 1.00 10.00 C ATOM 627 SD MET A 60 -3.415 0.631 -7.855 1.00 10.00 S ATOM 628 CE MET A 60 -4.860 1.454 -7.183 1.00 10.00 C ATOM 0 H MET A 60 -0.221 2.562 -9.730 1.00 10.00 H new ATOM 0 HA MET A 60 -2.085 4.814 -10.114 1.00 10.00 H new ATOM 0 HB2 MET A 60 -3.570 3.634 -8.553 1.00 10.00 H new ATOM 0 HB3 MET A 60 -3.162 2.580 -9.892 1.00 10.00 H new ATOM 0 HG2 MET A 60 -1.301 1.639 -8.362 1.00 10.00 H new ATOM 0 HG3 MET A 60 -2.113 2.477 -7.054 1.00 10.00 H new ATOM 0 HE1 MET A 60 -5.621 0.712 -6.939 1.00 10.00 H new ATOM 0 HE2 MET A 60 -4.582 1.999 -6.281 1.00 10.00 H new ATOM 0 HE3 MET A 60 -5.257 2.152 -7.920 1.00 10.00 H new ATOM 638 N ASP A 61 0.099 4.424 -7.787 1.00 10.00 N ATOM 639 CA ASP A 61 0.698 5.062 -6.609 1.00 10.00 C ATOM 640 C ASP A 61 1.074 6.510 -6.889 1.00 10.00 C ATOM 641 O ASP A 61 0.546 7.429 -6.268 1.00 10.00 O ATOM 642 CB ASP A 61 1.933 4.299 -6.099 1.00 10.00 C ATOM 643 CG ASP A 61 2.709 3.595 -7.187 1.00 10.00 C ATOM 644 OD1 ASP A 61 3.328 4.284 -8.024 1.00 10.00 O ATOM 645 OD2 ASP A 61 2.689 2.345 -7.208 1.00 10.00 O ATOM 0 H ASP A 61 0.673 3.699 -8.217 1.00 10.00 H new ATOM 0 HA ASP A 61 -0.064 5.037 -5.830 1.00 10.00 H new ATOM 0 HB2 ASP A 61 2.595 4.998 -5.588 1.00 10.00 H new ATOM 0 HB3 ASP A 61 1.614 3.564 -5.360 1.00 10.00 H new ATOM 650 N GLY A 62 1.987 6.710 -7.816 1.00 10.00 N ATOM 651 CA GLY A 62 2.417 8.051 -8.146 1.00 10.00 C ATOM 652 C GLY A 62 3.709 8.426 -7.444 1.00 10.00 C ATOM 653 O GLY A 62 4.638 8.923 -8.074 1.00 10.00 O ATOM 0 H GLY A 62 2.442 5.969 -8.349 1.00 10.00 H new ATOM 0 HA2 GLY A 62 2.554 8.132 -9.224 1.00 10.00 H new ATOM 0 HA3 GLY A 62 1.636 8.760 -7.870 1.00 10.00 H new ATOM 657 N THR A 63 3.772 8.203 -6.135 1.00 10.00 N ATOM 658 CA THR A 63 4.973 8.520 -5.374 1.00 10.00 C ATOM 659 C THR A 63 5.382 7.338 -4.506 1.00 10.00 C ATOM 660 O THR A 63 4.618 6.384 -4.349 1.00 10.00 O ATOM 661 CB THR A 63 4.795 9.770 -4.474 1.00 10.00 C ATOM 662 OG1 THR A 63 3.888 9.494 -3.399 1.00 10.00 O ATOM 663 CG2 THR A 63 4.284 10.962 -5.273 1.00 10.00 C ATOM 0 H THR A 63 3.011 7.807 -5.583 1.00 10.00 H new ATOM 0 HA THR A 63 5.752 8.738 -6.104 1.00 10.00 H new ATOM 0 HB THR A 63 5.775 10.018 -4.066 1.00 10.00 H new ATOM 0 HG1 THR A 63 3.119 8.992 -3.741 1.00 10.00 H new ATOM 0 HG21 THR A 63 4.170 11.821 -4.612 1.00 10.00 H new ATOM 0 HG22 THR A 63 4.996 11.203 -6.062 1.00 10.00 H new ATOM 0 HG23 THR A 63 3.320 10.716 -5.717 1.00 10.00 H new ATOM 671 N LEU A 64 6.581 7.418 -3.942 1.00 10.00 N ATOM 672 CA LEU A 64 7.113 6.366 -3.086 1.00 10.00 C ATOM 673 C LEU A 64 6.189 6.095 -1.903 1.00 10.00 C ATOM 674 O LEU A 64 5.907 4.942 -1.575 1.00 10.00 O ATOM 675 CB LEU A 64 8.501 6.766 -2.581 1.00 10.00 C ATOM 676 CG LEU A 64 9.129 5.811 -1.564 1.00 10.00 C ATOM 677 CD1 LEU A 64 9.325 4.431 -2.171 1.00 10.00 C ATOM 678 CD2 LEU A 64 10.451 6.363 -1.049 1.00 10.00 C ATOM 0 H LEU A 64 7.210 8.212 -4.065 1.00 10.00 H new ATOM 0 HA LEU A 64 7.186 5.451 -3.674 1.00 10.00 H new ATOM 0 HB2 LEU A 64 9.170 6.850 -3.437 1.00 10.00 H new ATOM 0 HB3 LEU A 64 8.434 7.756 -2.131 1.00 10.00 H new ATOM 0 HG LEU A 64 8.446 5.719 -0.719 1.00 10.00 H new ATOM 0 HD11 LEU A 64 9.773 3.768 -1.431 1.00 10.00 H new ATOM 0 HD12 LEU A 64 8.360 4.030 -2.481 1.00 10.00 H new ATOM 0 HD13 LEU A 64 9.983 4.505 -3.037 1.00 10.00 H new ATOM 0 HD21 LEU A 64 10.879 5.667 -0.327 1.00 10.00 H new ATOM 0 HD22 LEU A 64 11.141 6.491 -1.883 1.00 10.00 H new ATOM 0 HD23 LEU A 64 10.280 7.326 -0.568 1.00 10.00 H new ATOM 690 N LYS A 65 5.714 7.163 -1.275 1.00 10.00 N ATOM 691 CA LYS A 65 4.824 7.045 -0.127 1.00 10.00 C ATOM 692 C LYS A 65 3.555 6.284 -0.500 1.00 10.00 C ATOM 693 O LYS A 65 3.220 5.285 0.130 1.00 10.00 O ATOM 694 CB LYS A 65 4.467 8.430 0.413 1.00 10.00 C ATOM 695 CG LYS A 65 3.622 8.391 1.677 1.00 10.00 C ATOM 696 CD LYS A 65 3.187 9.782 2.099 1.00 10.00 C ATOM 697 CE LYS A 65 4.309 10.532 2.795 1.00 10.00 C ATOM 698 NZ LYS A 65 4.008 11.981 2.926 1.00 10.00 N ATOM 0 H LYS A 65 5.931 8.123 -1.542 1.00 10.00 H new ATOM 0 HA LYS A 65 5.344 6.486 0.651 1.00 10.00 H new ATOM 0 HB2 LYS A 65 5.386 8.979 0.617 1.00 10.00 H new ATOM 0 HB3 LYS A 65 3.929 8.983 -0.357 1.00 10.00 H new ATOM 0 HG2 LYS A 65 2.743 7.769 1.509 1.00 10.00 H new ATOM 0 HG3 LYS A 65 4.191 7.927 2.482 1.00 10.00 H new ATOM 0 HD2 LYS A 65 2.862 10.343 1.223 1.00 10.00 H new ATOM 0 HD3 LYS A 65 2.329 9.708 2.767 1.00 10.00 H new ATOM 0 HE2 LYS A 65 4.473 10.104 3.784 1.00 10.00 H new ATOM 0 HE3 LYS A 65 5.235 10.403 2.234 1.00 10.00 H new ATOM 0 HZ1 LYS A 65 4.636 12.403 3.640 1.00 10.00 H new ATOM 0 HZ2 LYS A 65 4.159 12.451 2.011 1.00 10.00 H new ATOM 0 HZ3 LYS A 65 3.018 12.105 3.219 1.00 10.00 H new ATOM 712 N THR A 66 2.879 6.738 -1.549 1.00 10.00 N ATOM 713 CA THR A 66 1.642 6.111 -2.001 1.00 10.00 C ATOM 714 C THR A 66 1.857 4.644 -2.378 1.00 10.00 C ATOM 715 O THR A 66 0.966 3.808 -2.197 1.00 10.00 O ATOM 716 CB THR A 66 1.061 6.865 -3.207 1.00 10.00 C ATOM 717 OG1 THR A 66 1.581 8.202 -3.235 1.00 10.00 O ATOM 718 CG2 THR A 66 -0.459 6.911 -3.136 1.00 10.00 C ATOM 0 H THR A 66 3.169 7.542 -2.105 1.00 10.00 H new ATOM 0 HA THR A 66 0.939 6.155 -1.170 1.00 10.00 H new ATOM 0 HB THR A 66 1.350 6.337 -4.116 1.00 10.00 H new ATOM 0 HG1 THR A 66 1.211 8.681 -4.006 1.00 10.00 H new ATOM 0 HG21 THR A 66 -0.847 7.450 -4.000 1.00 10.00 H new ATOM 0 HG22 THR A 66 -0.854 5.895 -3.134 1.00 10.00 H new ATOM 0 HG23 THR A 66 -0.765 7.421 -2.223 1.00 10.00 H new ATOM 726 N MET A 67 3.038 4.337 -2.904 1.00 10.00 N ATOM 727 CA MET A 67 3.371 2.973 -3.294 1.00 10.00 C ATOM 728 C MET A 67 3.517 2.099 -2.059 1.00 10.00 C ATOM 729 O MET A 67 2.917 1.029 -1.963 1.00 10.00 O ATOM 730 CB MET A 67 4.668 2.953 -4.104 1.00 10.00 C ATOM 731 CG MET A 67 5.003 1.591 -4.691 1.00 10.00 C ATOM 732 SD MET A 67 6.665 1.530 -5.389 1.00 10.00 S ATOM 733 CE MET A 67 7.660 1.682 -3.909 1.00 10.00 C ATOM 0 H MET A 67 3.781 5.016 -3.070 1.00 10.00 H new ATOM 0 HA MET A 67 2.565 2.581 -3.914 1.00 10.00 H new ATOM 0 HB2 MET A 67 4.591 3.678 -4.914 1.00 10.00 H new ATOM 0 HB3 MET A 67 5.490 3.275 -3.465 1.00 10.00 H new ATOM 0 HG2 MET A 67 4.910 0.832 -3.915 1.00 10.00 H new ATOM 0 HG3 MET A 67 4.277 1.345 -5.466 1.00 10.00 H new ATOM 0 HE1 MET A 67 8.396 2.475 -4.045 1.00 10.00 H new ATOM 0 HE2 MET A 67 7.018 1.924 -3.062 1.00 10.00 H new ATOM 0 HE3 MET A 67 8.173 0.740 -3.717 1.00 10.00 H new ATOM 743 N LEU A 68 4.303 2.579 -1.104 1.00 10.00 N ATOM 744 CA LEU A 68 4.535 1.854 0.136 1.00 10.00 C ATOM 745 C LEU A 68 3.247 1.739 0.940 1.00 10.00 C ATOM 746 O LEU A 68 3.024 0.740 1.624 1.00 10.00 O ATOM 747 CB LEU A 68 5.616 2.545 0.961 1.00 10.00 C ATOM 748 CG LEU A 68 6.997 2.591 0.304 1.00 10.00 C ATOM 749 CD1 LEU A 68 7.942 3.466 1.109 1.00 10.00 C ATOM 750 CD2 LEU A 68 7.568 1.187 0.155 1.00 10.00 C ATOM 0 H LEU A 68 4.792 3.472 -1.166 1.00 10.00 H new ATOM 0 HA LEU A 68 4.875 0.849 -0.113 1.00 10.00 H new ATOM 0 HB2 LEU A 68 5.296 3.565 1.171 1.00 10.00 H new ATOM 0 HB3 LEU A 68 5.703 2.034 1.920 1.00 10.00 H new ATOM 0 HG LEU A 68 6.888 3.025 -0.690 1.00 10.00 H new ATOM 0 HD11 LEU A 68 8.919 3.486 0.626 1.00 10.00 H new ATOM 0 HD12 LEU A 68 7.543 4.479 1.163 1.00 10.00 H new ATOM 0 HD13 LEU A 68 8.043 3.062 2.116 1.00 10.00 H new ATOM 0 HD21 LEU A 68 8.550 1.242 -0.314 1.00 10.00 H new ATOM 0 HD22 LEU A 68 7.661 0.726 1.138 1.00 10.00 H new ATOM 0 HD23 LEU A 68 6.902 0.587 -0.466 1.00 10.00 H new ATOM 762 N GLU A 69 2.403 2.766 0.856 1.00 10.00 N ATOM 763 CA GLU A 69 1.124 2.763 1.556 1.00 10.00 C ATOM 764 C GLU A 69 0.267 1.609 1.057 1.00 10.00 C ATOM 765 O GLU A 69 -0.412 0.949 1.838 1.00 10.00 O ATOM 766 CB GLU A 69 0.381 4.088 1.359 1.00 10.00 C ATOM 767 CG GLU A 69 0.923 5.227 2.206 1.00 10.00 C ATOM 768 CD GLU A 69 0.038 6.458 2.171 1.00 10.00 C ATOM 769 OE1 GLU A 69 -0.207 6.994 1.070 1.00 10.00 O ATOM 770 OE2 GLU A 69 -0.425 6.900 3.248 1.00 10.00 O ATOM 0 H GLU A 69 2.583 3.609 0.310 1.00 10.00 H new ATOM 0 HA GLU A 69 1.319 2.639 2.621 1.00 10.00 H new ATOM 0 HB2 GLU A 69 0.435 4.372 0.308 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -0.673 3.941 1.595 1.00 10.00 H new ATOM 0 HG2 GLU A 69 1.027 4.889 3.237 1.00 10.00 H new ATOM 0 HG3 GLU A 69 1.920 5.492 1.855 1.00 10.00 H new ATOM 777 N ARG A 70 0.311 1.370 -0.250 1.00 10.00 N ATOM 778 CA ARG A 70 -0.443 0.279 -0.855 1.00 10.00 C ATOM 779 C ARG A 70 0.093 -1.059 -0.365 1.00 10.00 C ATOM 780 O ARG A 70 -0.671 -1.971 -0.050 1.00 10.00 O ATOM 781 CB ARG A 70 -0.360 0.351 -2.382 1.00 10.00 C ATOM 782 CG ARG A 70 -1.000 -0.836 -3.090 1.00 10.00 C ATOM 783 CD ARG A 70 -1.795 -0.394 -4.309 1.00 10.00 C ATOM 784 NE ARG A 70 -2.874 0.525 -3.947 1.00 10.00 N ATOM 785 CZ ARG A 70 -4.144 0.152 -3.764 1.00 10.00 C ATOM 786 NH1 ARG A 70 -4.510 -1.109 -3.950 1.00 10.00 N ATOM 787 NH2 ARG A 70 -5.052 1.047 -3.406 1.00 10.00 N ATOM 0 H ARG A 70 0.862 1.918 -0.911 1.00 10.00 H new ATOM 0 HA ARG A 70 -1.488 0.373 -0.560 1.00 10.00 H new ATOM 0 HB2 ARG A 70 -0.844 1.267 -2.720 1.00 10.00 H new ATOM 0 HB3 ARG A 70 0.687 0.416 -2.677 1.00 10.00 H new ATOM 0 HG2 ARG A 70 -0.226 -1.540 -3.395 1.00 10.00 H new ATOM 0 HG3 ARG A 70 -1.656 -1.364 -2.398 1.00 10.00 H new ATOM 0 HD2 ARG A 70 -1.128 0.091 -5.022 1.00 10.00 H new ATOM 0 HD3 ARG A 70 -2.214 -1.268 -4.807 1.00 10.00 H new ATOM 0 HE ARG A 70 -2.643 1.511 -3.827 1.00 10.00 H new ATOM 0 HH11 ARG A 70 -3.820 -1.804 -4.235 1.00 10.00 H new ATOM 0 HH12 ARG A 70 -5.482 -1.384 -3.808 1.00 10.00 H new ATOM 0 HH21 ARG A 70 -4.782 2.021 -3.270 1.00 10.00 H new ATOM 0 HH22 ARG A 70 -6.021 0.762 -3.266 1.00 10.00 H new ATOM 801 N TRP A 71 1.414 -1.158 -0.298 1.00 10.00 N ATOM 802 CA TRP A 71 2.071 -2.374 0.162 1.00 10.00 C ATOM 803 C TRP A 71 1.690 -2.662 1.610 1.00 10.00 C ATOM 804 O TRP A 71 1.249 -3.760 1.944 1.00 10.00 O ATOM 805 CB TRP A 71 3.593 -2.240 0.054 1.00 10.00 C ATOM 806 CG TRP A 71 4.118 -2.154 -1.350 1.00 10.00 C ATOM 807 CD1 TRP A 71 3.395 -2.047 -2.505 1.00 10.00 C ATOM 808 CD2 TRP A 71 5.495 -2.170 -1.741 1.00 10.00 C ATOM 809 NE1 TRP A 71 4.240 -1.986 -3.586 1.00 10.00 N ATOM 810 CE2 TRP A 71 5.533 -2.061 -3.141 1.00 10.00 C ATOM 811 CE3 TRP A 71 6.701 -2.261 -1.038 1.00 10.00 C ATOM 812 CZ2 TRP A 71 6.729 -2.044 -3.853 1.00 10.00 C ATOM 813 CZ3 TRP A 71 7.887 -2.244 -1.749 1.00 10.00 C ATOM 814 CH2 TRP A 71 7.892 -2.137 -3.143 1.00 10.00 C ATOM 0 H TRP A 71 2.054 -0.407 -0.558 1.00 10.00 H new ATOM 0 HA TRP A 71 1.742 -3.198 -0.471 1.00 10.00 H new ATOM 0 HB2 TRP A 71 3.905 -1.349 0.599 1.00 10.00 H new ATOM 0 HB3 TRP A 71 4.055 -3.094 0.548 1.00 10.00 H new ATOM 0 HD1 TRP A 71 2.317 -2.015 -2.560 1.00 10.00 H new ATOM 0 HE1 TRP A 71 3.952 -1.899 -4.561 1.00 10.00 H new ATOM 0 HE3 TRP A 71 6.706 -2.343 0.039 1.00 10.00 H new ATOM 0 HZ2 TRP A 71 6.737 -1.960 -4.930 1.00 10.00 H new ATOM 0 HZ3 TRP A 71 8.825 -2.315 -1.219 1.00 10.00 H new ATOM 0 HH2 TRP A 71 8.835 -2.128 -3.669 1.00 10.00 H new ATOM 825 N ALA A 72 1.859 -1.655 2.458 1.00 10.00 N ATOM 826 CA ALA A 72 1.549 -1.776 3.873 1.00 10.00 C ATOM 827 C ALA A 72 0.066 -2.045 4.108 1.00 10.00 C ATOM 828 O ALA A 72 -0.285 -2.920 4.894 1.00 10.00 O ATOM 829 CB ALA A 72 1.984 -0.522 4.614 1.00 10.00 C ATOM 0 H ALA A 72 2.213 -0.738 2.185 1.00 10.00 H new ATOM 0 HA ALA A 72 2.102 -2.632 4.261 1.00 10.00 H new ATOM 0 HB1 ALA A 72 1.747 -0.624 5.673 1.00 10.00 H new ATOM 0 HB2 ALA A 72 3.059 -0.383 4.495 1.00 10.00 H new ATOM 0 HB3 ALA A 72 1.459 0.342 4.206 1.00 10.00 H new ATOM 835 N ALA A 73 -0.799 -1.311 3.413 1.00 10.00 N ATOM 836 CA ALA A 73 -2.241 -1.472 3.571 1.00 10.00 C ATOM 837 C ALA A 73 -2.697 -2.878 3.202 1.00 10.00 C ATOM 838 O ALA A 73 -3.429 -3.520 3.960 1.00 10.00 O ATOM 839 CB ALA A 73 -2.991 -0.444 2.739 1.00 10.00 C ATOM 0 H ALA A 73 -0.526 -0.599 2.735 1.00 10.00 H new ATOM 0 HA ALA A 73 -2.470 -1.312 4.625 1.00 10.00 H new ATOM 0 HB1 ALA A 73 -4.064 -0.582 2.871 1.00 10.00 H new ATOM 0 HB2 ALA A 73 -2.711 0.559 3.061 1.00 10.00 H new ATOM 0 HB3 ALA A 73 -2.736 -0.571 1.687 1.00 10.00 H new ATOM 845 N ASP A 74 -2.243 -3.370 2.055 1.00 10.00 N ATOM 846 CA ASP A 74 -2.632 -4.702 1.601 1.00 10.00 C ATOM 847 C ASP A 74 -1.984 -5.789 2.450 1.00 10.00 C ATOM 848 O ASP A 74 -2.454 -6.926 2.488 1.00 10.00 O ATOM 849 CB ASP A 74 -2.277 -4.906 0.129 1.00 10.00 C ATOM 850 CG ASP A 74 -3.420 -5.527 -0.652 1.00 10.00 C ATOM 851 OD1 ASP A 74 -3.776 -6.691 -0.382 1.00 10.00 O ATOM 852 OD2 ASP A 74 -3.976 -4.846 -1.541 1.00 10.00 O ATOM 0 H ASP A 74 -1.611 -2.873 1.427 1.00 10.00 H new ATOM 0 HA ASP A 74 -3.714 -4.779 1.713 1.00 10.00 H new ATOM 0 HB2 ASP A 74 -2.013 -3.947 -0.316 1.00 10.00 H new ATOM 0 HB3 ASP A 74 -1.397 -5.545 0.054 1.00 10.00 H new ATOM 857 N SER A 75 -0.910 -5.435 3.136 1.00 10.00 N ATOM 858 CA SER A 75 -0.208 -6.380 3.988 1.00 10.00 C ATOM 859 C SER A 75 -0.655 -6.234 5.440 1.00 10.00 C ATOM 860 O SER A 75 -0.206 -6.977 6.316 1.00 10.00 O ATOM 861 CB SER A 75 1.304 -6.155 3.879 1.00 10.00 C ATOM 862 OG SER A 75 2.030 -7.285 4.327 1.00 10.00 O ATOM 0 H SER A 75 -0.505 -4.499 3.119 1.00 10.00 H new ATOM 0 HA SER A 75 -0.446 -7.390 3.655 1.00 10.00 H new ATOM 0 HB2 SER A 75 1.567 -5.939 2.843 1.00 10.00 H new ATOM 0 HB3 SER A 75 1.587 -5.283 4.468 1.00 10.00 H new ATOM 0 HG SER A 75 2.474 -7.712 3.565 1.00 10.00 H new ATOM 868 N ASN A 76 -1.552 -5.275 5.684 1.00 10.00 N ATOM 869 CA ASN A 76 -2.062 -4.999 7.029 1.00 10.00 C ATOM 870 C ASN A 76 -0.917 -4.600 7.954 1.00 10.00 C ATOM 871 O ASN A 76 -0.851 -5.014 9.115 1.00 10.00 O ATOM 872 CB ASN A 76 -2.820 -6.205 7.599 1.00 10.00 C ATOM 873 CG ASN A 76 -4.250 -6.283 7.100 1.00 10.00 C ATOM 874 OD1 ASN A 76 -4.539 -6.946 6.101 1.00 10.00 O ATOM 875 ND2 ASN A 76 -5.153 -5.597 7.784 1.00 10.00 N ATOM 0 H ASN A 76 -1.943 -4.672 4.960 1.00 10.00 H new ATOM 0 HA ASN A 76 -2.766 -4.170 6.959 1.00 10.00 H new ATOM 0 HB2 ASN A 76 -2.294 -7.121 7.329 1.00 10.00 H new ATOM 0 HB3 ASN A 76 -2.821 -6.147 8.687 1.00 10.00 H new ATOM 0 HD21 ASN A 76 -6.130 -5.604 7.490 1.00 10.00 H new ATOM 0 HD22 ASN A 76 -4.872 -5.061 8.605 1.00 10.00 H new ATOM 882 N MET A 77 -0.018 -3.787 7.423 1.00 10.00 N ATOM 883 CA MET A 77 1.138 -3.325 8.171 1.00 10.00 C ATOM 884 C MET A 77 1.147 -1.805 8.251 1.00 10.00 C ATOM 885 O MET A 77 0.378 -1.137 7.561 1.00 10.00 O ATOM 886 CB MET A 77 2.431 -3.819 7.512 1.00 10.00 C ATOM 887 CG MET A 77 2.535 -5.334 7.428 1.00 10.00 C ATOM 888 SD MET A 77 4.240 -5.926 7.355 1.00 10.00 S ATOM 889 CE MET A 77 4.914 -4.931 6.025 1.00 10.00 C ATOM 0 H MET A 77 -0.069 -3.431 6.468 1.00 10.00 H new ATOM 0 HA MET A 77 1.078 -3.730 9.181 1.00 10.00 H new ATOM 0 HB2 MET A 77 2.498 -3.403 6.507 1.00 10.00 H new ATOM 0 HB3 MET A 77 3.283 -3.436 8.073 1.00 10.00 H new ATOM 0 HG2 MET A 77 2.041 -5.774 8.294 1.00 10.00 H new ATOM 0 HG3 MET A 77 1.999 -5.680 6.545 1.00 10.00 H new ATOM 0 HE1 MET A 77 5.951 -5.216 5.847 1.00 10.00 H new ATOM 0 HE2 MET A 77 4.332 -5.094 5.118 1.00 10.00 H new ATOM 0 HE3 MET A 77 4.870 -3.877 6.300 1.00 10.00 H new ATOM 899 N GLN A 78 2.013 -1.269 9.092 1.00 10.00 N ATOM 900 CA GLN A 78 2.123 0.171 9.254 1.00 10.00 C ATOM 901 C GLN A 78 3.286 0.703 8.427 1.00 10.00 C ATOM 902 O GLN A 78 4.169 -0.060 8.037 1.00 10.00 O ATOM 903 CB GLN A 78 2.308 0.526 10.728 1.00 10.00 C ATOM 904 CG GLN A 78 1.019 0.476 11.526 1.00 10.00 C ATOM 905 CD GLN A 78 0.027 1.531 11.080 1.00 10.00 C ATOM 906 OE1 GLN A 78 -0.798 1.289 10.199 1.00 10.00 O ATOM 907 NE2 GLN A 78 0.113 2.711 11.667 1.00 10.00 N ATOM 0 H GLN A 78 2.652 -1.810 9.675 1.00 10.00 H new ATOM 0 HA GLN A 78 1.203 0.636 8.901 1.00 10.00 H new ATOM 0 HB2 GLN A 78 3.028 -0.161 11.172 1.00 10.00 H new ATOM 0 HB3 GLN A 78 2.734 1.526 10.802 1.00 10.00 H new ATOM 0 HG2 GLN A 78 0.568 -0.511 11.423 1.00 10.00 H new ATOM 0 HG3 GLN A 78 1.243 0.615 12.584 1.00 10.00 H new ATOM 0 HE21 GLN A 78 0.812 2.870 12.393 1.00 10.00 H new ATOM 0 HE22 GLN A 78 -0.519 3.464 11.394 1.00 10.00 H new ATOM 916 N LEU A 79 3.277 1.997 8.151 1.00 10.00 N ATOM 917 CA LEU A 79 4.334 2.619 7.369 1.00 10.00 C ATOM 918 C LEU A 79 4.874 3.850 8.083 1.00 10.00 C ATOM 919 O LEU A 79 4.110 4.663 8.601 1.00 10.00 O ATOM 920 CB LEU A 79 3.815 3.013 5.977 1.00 10.00 C ATOM 921 CG LEU A 79 4.796 3.814 5.116 1.00 10.00 C ATOM 922 CD1 LEU A 79 5.944 2.937 4.649 1.00 10.00 C ATOM 923 CD2 LEU A 79 4.083 4.435 3.926 1.00 10.00 C ATOM 0 H LEU A 79 2.547 2.639 8.458 1.00 10.00 H new ATOM 0 HA LEU A 79 5.140 1.895 7.254 1.00 10.00 H new ATOM 0 HB2 LEU A 79 3.542 2.105 5.439 1.00 10.00 H new ATOM 0 HB3 LEU A 79 2.903 3.598 6.099 1.00 10.00 H new ATOM 0 HG LEU A 79 5.206 4.617 5.729 1.00 10.00 H new ATOM 0 HD11 LEU A 79 6.628 3.527 4.039 1.00 10.00 H new ATOM 0 HD12 LEU A 79 6.477 2.544 5.515 1.00 10.00 H new ATOM 0 HD13 LEU A 79 5.552 2.110 4.057 1.00 10.00 H new ATOM 0 HD21 LEU A 79 4.798 5.000 3.328 1.00 10.00 H new ATOM 0 HD22 LEU A 79 3.640 3.648 3.316 1.00 10.00 H new ATOM 0 HD23 LEU A 79 3.298 5.104 4.280 1.00 10.00 H new ATOM 935 N SER A 80 6.189 3.958 8.129 1.00 10.00 N ATOM 936 CA SER A 80 6.848 5.084 8.759 1.00 10.00 C ATOM 937 C SER A 80 7.734 5.805 7.746 1.00 10.00 C ATOM 938 O SER A 80 8.865 5.389 7.471 1.00 10.00 O ATOM 939 CB SER A 80 7.667 4.601 9.956 1.00 10.00 C ATOM 940 OG SER A 80 7.007 4.885 11.176 1.00 10.00 O ATOM 0 H SER A 80 6.828 3.269 7.732 1.00 10.00 H new ATOM 0 HA SER A 80 6.097 5.789 9.117 1.00 10.00 H new ATOM 0 HB2 SER A 80 7.838 3.528 9.873 1.00 10.00 H new ATOM 0 HB3 SER A 80 8.645 5.082 9.948 1.00 10.00 H new ATOM 0 HG SER A 80 6.038 4.892 11.030 1.00 10.00 H new ATOM 946 N TYR A 81 7.198 6.874 7.177 1.00 10.00 N ATOM 947 CA TYR A 81 7.911 7.665 6.191 1.00 10.00 C ATOM 948 C TYR A 81 8.809 8.675 6.898 1.00 10.00 C ATOM 949 O TYR A 81 8.350 9.734 7.321 1.00 10.00 O ATOM 950 CB TYR A 81 6.898 8.386 5.294 1.00 10.00 C ATOM 951 CG TYR A 81 7.443 8.862 3.962 1.00 10.00 C ATOM 952 CD1 TYR A 81 7.681 7.967 2.924 1.00 10.00 C ATOM 953 CD2 TYR A 81 7.695 10.208 3.733 1.00 10.00 C ATOM 954 CE1 TYR A 81 8.158 8.404 1.699 1.00 10.00 C ATOM 955 CE2 TYR A 81 8.165 10.652 2.511 1.00 10.00 C ATOM 956 CZ TYR A 81 8.396 9.746 1.498 1.00 10.00 C ATOM 957 OH TYR A 81 8.865 10.188 0.281 1.00 10.00 O ATOM 0 H TYR A 81 6.260 7.215 7.386 1.00 10.00 H new ATOM 0 HA TYR A 81 8.533 7.016 5.575 1.00 10.00 H new ATOM 0 HB2 TYR A 81 6.060 7.715 5.107 1.00 10.00 H new ATOM 0 HB3 TYR A 81 6.504 9.246 5.836 1.00 10.00 H new ATOM 0 HD1 TYR A 81 7.491 6.915 3.076 1.00 10.00 H new ATOM 0 HD2 TYR A 81 7.521 10.922 4.525 1.00 10.00 H new ATOM 0 HE1 TYR A 81 8.343 7.696 0.905 1.00 10.00 H new ATOM 0 HE2 TYR A 81 8.350 11.704 2.351 1.00 10.00 H new ATOM 0 HH TYR A 81 9.345 11.034 0.403 1.00 10.00 H new ATOM 967 N ASN A 82 10.087 8.345 7.029 1.00 10.00 N ATOM 968 CA ASN A 82 11.035 9.223 7.703 1.00 10.00 C ATOM 969 C ASN A 82 11.856 10.001 6.685 1.00 10.00 C ATOM 970 O ASN A 82 13.049 10.236 6.877 1.00 10.00 O ATOM 971 CB ASN A 82 11.965 8.421 8.622 1.00 10.00 C ATOM 972 CG ASN A 82 11.218 7.691 9.723 1.00 10.00 C ATOM 973 OD1 ASN A 82 10.239 8.197 10.271 1.00 10.00 O ATOM 974 ND2 ASN A 82 11.677 6.492 10.057 1.00 10.00 N ATOM 0 H ASN A 82 10.491 7.477 6.678 1.00 10.00 H new ATOM 0 HA ASN A 82 10.468 9.926 8.313 1.00 10.00 H new ATOM 0 HB2 ASN A 82 12.522 7.698 8.026 1.00 10.00 H new ATOM 0 HB3 ASN A 82 12.695 9.095 9.070 1.00 10.00 H new ATOM 0 HD21 ASN A 82 11.215 5.956 10.792 1.00 10.00 H new ATOM 0 HD22 ASN A 82 12.492 6.106 9.579 1.00 10.00 H new ATOM 981 N LEU A 83 11.211 10.401 5.602 1.00 10.00 N ATOM 982 CA LEU A 83 11.880 11.156 4.559 1.00 10.00 C ATOM 983 C LEU A 83 11.494 12.628 4.656 1.00 10.00 C ATOM 984 O LEU A 83 10.401 12.957 5.121 1.00 10.00 O ATOM 985 CB LEU A 83 11.531 10.598 3.174 1.00 10.00 C ATOM 986 CG LEU A 83 11.997 9.163 2.908 1.00 10.00 C ATOM 987 CD1 LEU A 83 11.854 8.821 1.437 1.00 10.00 C ATOM 988 CD2 LEU A 83 13.435 8.975 3.360 1.00 10.00 C ATOM 0 H LEU A 83 10.224 10.215 5.423 1.00 10.00 H new ATOM 0 HA LEU A 83 12.957 11.063 4.697 1.00 10.00 H new ATOM 0 HB2 LEU A 83 10.449 10.641 3.046 1.00 10.00 H new ATOM 0 HB3 LEU A 83 11.968 11.250 2.418 1.00 10.00 H new ATOM 0 HG LEU A 83 11.365 8.486 3.483 1.00 10.00 H new ATOM 0 HD11 LEU A 83 12.190 7.798 1.267 1.00 10.00 H new ATOM 0 HD12 LEU A 83 10.809 8.914 1.142 1.00 10.00 H new ATOM 0 HD13 LEU A 83 12.461 9.505 0.844 1.00 10.00 H new ATOM 0 HD21 LEU A 83 13.747 7.950 3.163 1.00 10.00 H new ATOM 0 HD22 LEU A 83 14.081 9.663 2.814 1.00 10.00 H new ATOM 0 HD23 LEU A 83 13.510 9.178 4.428 1.00 10.00 H new ATOM 1000 N PRO A 84 12.388 13.531 4.234 1.00 10.00 N ATOM 1001 CA PRO A 84 12.137 14.976 4.287 1.00 10.00 C ATOM 1002 C PRO A 84 10.985 15.415 3.380 1.00 10.00 C ATOM 1003 O PRO A 84 10.240 16.339 3.712 1.00 10.00 O ATOM 1004 CB PRO A 84 13.457 15.595 3.820 1.00 10.00 C ATOM 1005 CG PRO A 84 14.147 14.518 3.057 1.00 10.00 C ATOM 1006 CD PRO A 84 13.720 13.223 3.687 1.00 10.00 C ATOM 0 HA PRO A 84 11.837 15.290 5.287 1.00 10.00 H new ATOM 0 HB2 PRO A 84 13.282 16.470 3.194 1.00 10.00 H new ATOM 0 HB3 PRO A 84 14.059 15.924 4.667 1.00 10.00 H new ATOM 0 HG2 PRO A 84 13.871 14.549 2.003 1.00 10.00 H new ATOM 0 HG3 PRO A 84 15.229 14.637 3.106 1.00 10.00 H new ATOM 0 HD2 PRO A 84 13.677 12.416 2.956 1.00 10.00 H new ATOM 0 HD3 PRO A 84 14.412 12.909 4.468 1.00 10.00 H new ATOM 1014 N SER A 85 10.839 14.753 2.238 1.00 10.00 N ATOM 1015 CA SER A 85 9.782 15.087 1.291 1.00 10.00 C ATOM 1016 C SER A 85 9.312 13.842 0.544 1.00 10.00 C ATOM 1017 O SER A 85 9.901 12.767 0.680 1.00 10.00 O ATOM 1018 CB SER A 85 10.277 16.136 0.290 1.00 10.00 C ATOM 1019 OG SER A 85 10.983 17.181 0.944 1.00 10.00 O ATOM 0 H SER A 85 11.439 13.982 1.946 1.00 10.00 H new ATOM 0 HA SER A 85 8.941 15.496 1.851 1.00 10.00 H new ATOM 0 HB2 SER A 85 10.926 15.661 -0.446 1.00 10.00 H new ATOM 0 HB3 SER A 85 9.429 16.552 -0.253 1.00 10.00 H new ATOM 0 HG SER A 85 11.288 17.835 0.281 1.00 10.00 H new ATOM 1025 N ASP A 86 8.249 13.997 -0.236 1.00 10.00 N ATOM 1026 CA ASP A 86 7.696 12.897 -1.018 1.00 10.00 C ATOM 1027 C ASP A 86 8.465 12.773 -2.323 1.00 10.00 C ATOM 1028 O ASP A 86 8.673 13.769 -3.018 1.00 10.00 O ATOM 1029 CB ASP A 86 6.211 13.131 -1.318 1.00 10.00 C ATOM 1030 CG ASP A 86 5.370 13.291 -0.069 1.00 10.00 C ATOM 1031 OD1 ASP A 86 5.435 14.365 0.566 1.00 10.00 O ATOM 1032 OD2 ASP A 86 4.630 12.347 0.279 1.00 10.00 O ATOM 0 H ASP A 86 7.750 14.880 -0.344 1.00 10.00 H new ATOM 0 HA ASP A 86 7.789 11.977 -0.440 1.00 10.00 H new ATOM 0 HB2 ASP A 86 6.108 14.024 -1.935 1.00 10.00 H new ATOM 0 HB3 ASP A 86 5.828 12.294 -1.902 1.00 10.00 H new ATOM 1037 N TYR A 87 8.891 11.565 -2.657 1.00 10.00 N ATOM 1038 CA TYR A 87 9.651 11.350 -3.880 1.00 10.00 C ATOM 1039 C TYR A 87 8.882 10.481 -4.863 1.00 10.00 C ATOM 1040 O TYR A 87 8.080 9.633 -4.467 1.00 10.00 O ATOM 1041 CB TYR A 87 11.003 10.709 -3.563 1.00 10.00 C ATOM 1042 CG TYR A 87 11.861 11.538 -2.635 1.00 10.00 C ATOM 1043 CD1 TYR A 87 12.507 12.680 -3.090 1.00 10.00 C ATOM 1044 CD2 TYR A 87 12.018 11.180 -1.302 1.00 10.00 C ATOM 1045 CE1 TYR A 87 13.287 13.441 -2.243 1.00 10.00 C ATOM 1046 CE2 TYR A 87 12.797 11.938 -0.450 1.00 10.00 C ATOM 1047 CZ TYR A 87 13.429 13.066 -0.926 1.00 10.00 C ATOM 1048 OH TYR A 87 14.204 13.822 -0.080 1.00 10.00 O ATOM 0 H TYR A 87 8.726 10.724 -2.104 1.00 10.00 H new ATOM 0 HA TYR A 87 9.817 12.323 -4.343 1.00 10.00 H new ATOM 0 HB2 TYR A 87 10.836 9.731 -3.113 1.00 10.00 H new ATOM 0 HB3 TYR A 87 11.545 10.543 -4.494 1.00 10.00 H new ATOM 0 HD1 TYR A 87 12.397 12.977 -4.122 1.00 10.00 H new ATOM 0 HD2 TYR A 87 11.524 10.296 -0.927 1.00 10.00 H new ATOM 0 HE1 TYR A 87 13.784 14.326 -2.612 1.00 10.00 H new ATOM 0 HE2 TYR A 87 12.910 11.648 0.584 1.00 10.00 H new ATOM 0 HH TYR A 87 14.183 14.759 -0.367 1.00 10.00 H new ATOM 1058 N THR A 88 9.125 10.709 -6.141 1.00 10.00 N ATOM 1059 CA THR A 88 8.482 9.952 -7.200 1.00 10.00 C ATOM 1060 C THR A 88 9.316 8.723 -7.551 1.00 10.00 C ATOM 1061 O THR A 88 10.460 8.594 -7.103 1.00 10.00 O ATOM 1062 CB THR A 88 8.328 10.821 -8.459 1.00 10.00 C ATOM 1063 OG1 THR A 88 8.874 12.125 -8.212 1.00 10.00 O ATOM 1064 CG2 THR A 88 6.871 10.942 -8.871 1.00 10.00 C ATOM 0 H THR A 88 9.773 11.423 -6.474 1.00 10.00 H new ATOM 0 HA THR A 88 7.499 9.641 -6.847 1.00 10.00 H new ATOM 0 HB THR A 88 8.870 10.342 -9.274 1.00 10.00 H new ATOM 0 HG1 THR A 88 8.777 12.678 -9.015 1.00 10.00 H new ATOM 0 HG21 THR A 88 6.796 11.562 -9.764 1.00 10.00 H new ATOM 0 HG22 THR A 88 6.469 9.951 -9.083 1.00 10.00 H new ATOM 0 HG23 THR A 88 6.301 11.399 -8.062 1.00 10.00 H new ATOM 1072 N LEU A 89 8.753 7.824 -8.346 1.00 10.00 N ATOM 1073 CA LEU A 89 9.480 6.632 -8.757 1.00 10.00 C ATOM 1074 C LEU A 89 10.516 7.025 -9.807 1.00 10.00 C ATOM 1075 O LEU A 89 10.194 7.708 -10.780 1.00 10.00 O ATOM 1076 CB LEU A 89 8.542 5.553 -9.328 1.00 10.00 C ATOM 1077 CG LEU A 89 7.387 5.074 -8.427 1.00 10.00 C ATOM 1078 CD1 LEU A 89 7.742 5.136 -6.948 1.00 10.00 C ATOM 1079 CD2 LEU A 89 6.130 5.875 -8.711 1.00 10.00 C ATOM 0 H LEU A 89 7.805 7.896 -8.716 1.00 10.00 H new ATOM 0 HA LEU A 89 9.966 6.207 -7.879 1.00 10.00 H new ATOM 0 HB2 LEU A 89 8.112 5.935 -10.254 1.00 10.00 H new ATOM 0 HB3 LEU A 89 9.147 4.685 -9.592 1.00 10.00 H new ATOM 0 HG LEU A 89 7.203 4.026 -8.665 1.00 10.00 H new ATOM 0 HD11 LEU A 89 6.896 4.788 -6.356 1.00 10.00 H new ATOM 0 HD12 LEU A 89 8.606 4.500 -6.754 1.00 10.00 H new ATOM 0 HD13 LEU A 89 7.979 6.164 -6.673 1.00 10.00 H new ATOM 0 HD21 LEU A 89 5.323 5.526 -8.067 1.00 10.00 H new ATOM 0 HD22 LEU A 89 6.319 6.930 -8.515 1.00 10.00 H new ATOM 0 HD23 LEU A 89 5.844 5.745 -9.755 1.00 10.00 H new ATOM 1091 N ILE A 90 11.758 6.602 -9.604 1.00 10.00 N ATOM 1092 CA ILE A 90 12.839 6.931 -10.533 1.00 10.00 C ATOM 1093 C ILE A 90 12.652 6.262 -11.890 1.00 10.00 C ATOM 1094 O ILE A 90 13.117 6.771 -12.909 1.00 10.00 O ATOM 1095 CB ILE A 90 14.221 6.542 -9.970 1.00 10.00 C ATOM 1096 CG1 ILE A 90 14.138 5.232 -9.188 1.00 10.00 C ATOM 1097 CG2 ILE A 90 14.771 7.661 -9.096 1.00 10.00 C ATOM 1098 CD1 ILE A 90 15.489 4.657 -8.821 1.00 10.00 C ATOM 0 H ILE A 90 12.044 6.032 -8.808 1.00 10.00 H new ATOM 0 HA ILE A 90 12.798 8.012 -10.663 1.00 10.00 H new ATOM 0 HB ILE A 90 14.904 6.392 -10.806 1.00 10.00 H new ATOM 0 HG12 ILE A 90 13.564 5.399 -8.276 1.00 10.00 H new ATOM 0 HG13 ILE A 90 13.590 4.499 -9.780 1.00 10.00 H new ATOM 0 HG21 ILE A 90 15.747 7.372 -8.706 1.00 10.00 H new ATOM 0 HG22 ILE A 90 14.872 8.570 -9.689 1.00 10.00 H new ATOM 0 HG23 ILE A 90 14.088 7.844 -8.266 1.00 10.00 H new ATOM 0 HD11 ILE A 90 15.351 3.728 -8.268 1.00 10.00 H new ATOM 0 HD12 ILE A 90 16.058 4.458 -9.729 1.00 10.00 H new ATOM 0 HD13 ILE A 90 16.032 5.371 -8.202 1.00 10.00 H new ATOM 1110 N GLY A 91 11.991 5.116 -11.898 1.00 10.00 N ATOM 1111 CA GLY A 91 11.760 4.407 -13.143 1.00 10.00 C ATOM 1112 C GLY A 91 11.779 2.898 -12.976 1.00 10.00 C ATOM 1113 O GLY A 91 10.732 2.254 -13.049 1.00 10.00 O ATOM 0 H GLY A 91 11.610 4.663 -11.068 1.00 10.00 H new ATOM 0 HA2 GLY A 91 10.797 4.710 -13.554 1.00 10.00 H new ATOM 0 HA3 GLY A 91 12.521 4.697 -13.867 1.00 10.00 H new ATOM 1117 N PRO A 92 12.962 2.302 -12.723 1.00 10.00 N ATOM 1118 CA PRO A 92 13.113 0.845 -12.553 1.00 10.00 C ATOM 1119 C PRO A 92 12.407 0.301 -11.309 1.00 10.00 C ATOM 1120 O PRO A 92 12.520 -0.880 -10.990 1.00 10.00 O ATOM 1121 CB PRO A 92 14.628 0.652 -12.420 1.00 10.00 C ATOM 1122 CG PRO A 92 15.138 1.972 -11.957 1.00 10.00 C ATOM 1123 CD PRO A 92 14.255 2.998 -12.606 1.00 10.00 C ATOM 0 HA PRO A 92 12.662 0.307 -13.387 1.00 10.00 H new ATOM 0 HB2 PRO A 92 14.866 -0.137 -11.706 1.00 10.00 H new ATOM 0 HB3 PRO A 92 15.076 0.366 -13.372 1.00 10.00 H new ATOM 0 HG2 PRO A 92 15.095 2.049 -10.871 1.00 10.00 H new ATOM 0 HG3 PRO A 92 16.180 2.113 -12.246 1.00 10.00 H new ATOM 0 HD2 PRO A 92 14.173 3.900 -12.000 1.00 10.00 H new ATOM 0 HD3 PRO A 92 14.639 3.302 -13.580 1.00 10.00 H new ATOM 1131 N VAL A 93 11.677 1.162 -10.615 1.00 10.00 N ATOM 1132 CA VAL A 93 10.958 0.763 -9.413 1.00 10.00 C ATOM 1133 C VAL A 93 9.827 -0.193 -9.770 1.00 10.00 C ATOM 1134 O VAL A 93 9.573 -1.167 -9.063 1.00 10.00 O ATOM 1135 CB VAL A 93 10.381 1.981 -8.667 1.00 10.00 C ATOM 1136 CG1 VAL A 93 9.990 1.611 -7.244 1.00 10.00 C ATOM 1137 CG2 VAL A 93 11.373 3.131 -8.670 1.00 10.00 C ATOM 0 H VAL A 93 11.567 2.145 -10.864 1.00 10.00 H new ATOM 0 HA VAL A 93 11.670 0.264 -8.756 1.00 10.00 H new ATOM 0 HB VAL A 93 9.481 2.304 -9.191 1.00 10.00 H new ATOM 0 HG11 VAL A 93 9.585 2.488 -6.738 1.00 10.00 H new ATOM 0 HG12 VAL A 93 9.235 0.825 -7.267 1.00 10.00 H new ATOM 0 HG13 VAL A 93 10.869 1.255 -6.706 1.00 10.00 H new ATOM 0 HG21 VAL A 93 10.946 3.981 -8.138 1.00 10.00 H new ATOM 0 HG22 VAL A 93 12.293 2.819 -8.176 1.00 10.00 H new ATOM 0 HG23 VAL A 93 11.593 3.419 -9.698 1.00 10.00 H new ATOM 1147 N SER A 94 9.160 0.083 -10.884 1.00 10.00 N ATOM 1148 CA SER A 94 8.062 -0.755 -11.347 1.00 10.00 C ATOM 1149 C SER A 94 8.561 -2.128 -11.799 1.00 10.00 C ATOM 1150 O SER A 94 7.769 -3.044 -12.025 1.00 10.00 O ATOM 1151 CB SER A 94 7.316 -0.057 -12.483 1.00 10.00 C ATOM 1152 OG SER A 94 7.018 1.290 -12.141 1.00 10.00 O ATOM 0 H SER A 94 9.361 0.883 -11.484 1.00 10.00 H new ATOM 0 HA SER A 94 7.378 -0.910 -10.513 1.00 10.00 H new ATOM 0 HB2 SER A 94 7.921 -0.081 -13.390 1.00 10.00 H new ATOM 0 HB3 SER A 94 6.393 -0.594 -12.701 1.00 10.00 H new ATOM 0 HG SER A 94 6.542 1.718 -12.883 1.00 10.00 H new ATOM 1158 N ALA A 95 9.876 -2.267 -11.922 1.00 10.00 N ATOM 1159 CA ALA A 95 10.476 -3.524 -12.337 1.00 10.00 C ATOM 1160 C ALA A 95 10.754 -4.411 -11.129 1.00 10.00 C ATOM 1161 O ALA A 95 11.135 -5.570 -11.272 1.00 10.00 O ATOM 1162 CB ALA A 95 11.756 -3.270 -13.117 1.00 10.00 C ATOM 0 H ALA A 95 10.547 -1.521 -11.739 1.00 10.00 H new ATOM 0 HA ALA A 95 9.772 -4.042 -12.988 1.00 10.00 H new ATOM 0 HB1 ALA A 95 12.192 -4.222 -13.420 1.00 10.00 H new ATOM 0 HB2 ALA A 95 11.531 -2.676 -14.003 1.00 10.00 H new ATOM 0 HB3 ALA A 95 12.464 -2.730 -12.488 1.00 10.00 H new ATOM 1168 N ILE A 96 10.547 -3.864 -9.936 1.00 10.00 N ATOM 1169 CA ILE A 96 10.774 -4.600 -8.705 1.00 10.00 C ATOM 1170 C ILE A 96 9.469 -5.233 -8.255 1.00 10.00 C ATOM 1171 O ILE A 96 8.552 -4.538 -7.830 1.00 10.00 O ATOM 1172 CB ILE A 96 11.323 -3.679 -7.593 1.00 10.00 C ATOM 1173 CG1 ILE A 96 12.606 -2.995 -8.071 1.00 10.00 C ATOM 1174 CG2 ILE A 96 11.575 -4.470 -6.317 1.00 10.00 C ATOM 1175 CD1 ILE A 96 12.965 -1.750 -7.290 1.00 10.00 C ATOM 0 H ILE A 96 10.220 -2.907 -9.799 1.00 10.00 H new ATOM 0 HA ILE A 96 11.518 -5.373 -8.895 1.00 10.00 H new ATOM 0 HB ILE A 96 10.580 -2.913 -7.371 1.00 10.00 H new ATOM 0 HG12 ILE A 96 13.431 -3.704 -8.004 1.00 10.00 H new ATOM 0 HG13 ILE A 96 12.496 -2.733 -9.123 1.00 10.00 H new ATOM 0 HG21 ILE A 96 11.961 -3.803 -5.546 1.00 10.00 H new ATOM 0 HG22 ILE A 96 10.641 -4.917 -5.976 1.00 10.00 H new ATOM 0 HG23 ILE A 96 12.303 -5.257 -6.514 1.00 10.00 H new ATOM 0 HD11 ILE A 96 13.885 -1.323 -7.688 1.00 10.00 H new ATOM 0 HD12 ILE A 96 12.159 -1.021 -7.377 1.00 10.00 H new ATOM 0 HD13 ILE A 96 13.109 -2.008 -6.241 1.00 10.00 H new ATOM 1187 N SER A 97 9.367 -6.544 -8.394 1.00 10.00 N ATOM 1188 CA SER A 97 8.152 -7.248 -8.018 1.00 10.00 C ATOM 1189 C SER A 97 8.452 -8.592 -7.357 1.00 10.00 C ATOM 1190 O SER A 97 8.840 -9.548 -8.025 1.00 10.00 O ATOM 1191 CB SER A 97 7.280 -7.458 -9.259 1.00 10.00 C ATOM 1192 OG SER A 97 7.209 -6.267 -10.025 1.00 10.00 O ATOM 0 H SER A 97 10.107 -7.141 -8.763 1.00 10.00 H new ATOM 0 HA SER A 97 7.621 -6.637 -7.288 1.00 10.00 H new ATOM 0 HB2 SER A 97 7.691 -8.264 -9.867 1.00 10.00 H new ATOM 0 HB3 SER A 97 6.278 -7.764 -8.959 1.00 10.00 H new ATOM 0 HG SER A 97 7.095 -6.493 -10.972 1.00 10.00 H new ATOM 1198 N THR A 98 8.292 -8.644 -6.042 1.00 10.00 N ATOM 1199 CA THR A 98 8.516 -9.866 -5.283 1.00 10.00 C ATOM 1200 C THR A 98 7.348 -10.104 -4.331 1.00 10.00 C ATOM 1201 O THR A 98 6.626 -9.168 -3.987 1.00 10.00 O ATOM 1202 CB THR A 98 9.840 -9.815 -4.492 1.00 10.00 C ATOM 1203 OG1 THR A 98 10.073 -11.063 -3.825 1.00 10.00 O ATOM 1204 CG2 THR A 98 9.819 -8.690 -3.475 1.00 10.00 C ATOM 0 H THR A 98 8.005 -7.846 -5.475 1.00 10.00 H new ATOM 0 HA THR A 98 8.587 -10.691 -5.992 1.00 10.00 H new ATOM 0 HB THR A 98 10.647 -9.631 -5.201 1.00 10.00 H new ATOM 0 HG1 THR A 98 10.826 -10.967 -3.205 1.00 10.00 H new ATOM 0 HG21 THR A 98 10.763 -8.674 -2.930 1.00 10.00 H new ATOM 0 HG22 THR A 98 9.680 -7.738 -3.988 1.00 10.00 H new ATOM 0 HG23 THR A 98 8.999 -8.848 -2.775 1.00 10.00 H new ATOM 1212 N THR A 99 7.146 -11.348 -3.918 1.00 10.00 N ATOM 1213 CA THR A 99 6.061 -11.676 -3.009 1.00 10.00 C ATOM 1214 C THR A 99 6.484 -11.522 -1.549 1.00 10.00 C ATOM 1215 O THR A 99 5.650 -11.549 -0.644 1.00 10.00 O ATOM 1216 CB THR A 99 5.570 -13.107 -3.251 1.00 10.00 C ATOM 1217 OG1 THR A 99 6.581 -13.846 -3.949 1.00 10.00 O ATOM 1218 CG2 THR A 99 4.289 -13.106 -4.065 1.00 10.00 C ATOM 0 H THR A 99 7.719 -12.144 -4.198 1.00 10.00 H new ATOM 0 HA THR A 99 5.250 -10.975 -3.207 1.00 10.00 H new ATOM 0 HB THR A 99 5.368 -13.574 -2.287 1.00 10.00 H new ATOM 0 HG1 THR A 99 6.269 -14.762 -4.103 1.00 10.00 H new ATOM 0 HG21 THR A 99 3.959 -14.132 -4.225 1.00 10.00 H new ATOM 0 HG22 THR A 99 3.517 -12.556 -3.527 1.00 10.00 H new ATOM 0 HG23 THR A 99 4.470 -12.629 -5.028 1.00 10.00 H new ATOM 1226 N SER A 100 7.777 -11.364 -1.324 1.00 10.00 N ATOM 1227 CA SER A 100 8.294 -11.199 0.027 1.00 10.00 C ATOM 1228 C SER A 100 8.524 -9.715 0.328 1.00 10.00 C ATOM 1229 O SER A 100 9.321 -9.060 -0.343 1.00 10.00 O ATOM 1230 CB SER A 100 9.596 -11.991 0.180 1.00 10.00 C ATOM 1231 OG SER A 100 9.498 -13.262 -0.455 1.00 10.00 O ATOM 0 H SER A 100 8.488 -11.346 -2.056 1.00 10.00 H new ATOM 0 HA SER A 100 7.565 -11.582 0.741 1.00 10.00 H new ATOM 0 HB2 SER A 100 10.422 -11.427 -0.253 1.00 10.00 H new ATOM 0 HB3 SER A 100 9.822 -12.125 1.238 1.00 10.00 H new ATOM 0 HG SER A 100 10.342 -13.748 -0.345 1.00 10.00 H new ATOM 1237 N VAL A 101 7.822 -9.188 1.332 1.00 10.00 N ATOM 1238 CA VAL A 101 7.946 -7.778 1.696 1.00 10.00 C ATOM 1239 C VAL A 101 9.373 -7.439 2.133 1.00 10.00 C ATOM 1240 O VAL A 101 9.860 -6.332 1.892 1.00 10.00 O ATOM 1241 CB VAL A 101 6.935 -7.375 2.798 1.00 10.00 C ATOM 1242 CG1 VAL A 101 7.315 -7.949 4.158 1.00 10.00 C ATOM 1243 CG2 VAL A 101 6.801 -5.862 2.868 1.00 10.00 C ATOM 0 H VAL A 101 7.164 -9.715 1.906 1.00 10.00 H new ATOM 0 HA VAL A 101 7.713 -7.200 0.802 1.00 10.00 H new ATOM 0 HB VAL A 101 5.968 -7.801 2.529 1.00 10.00 H new ATOM 0 HG11 VAL A 101 6.579 -7.642 4.901 1.00 10.00 H new ATOM 0 HG12 VAL A 101 7.339 -9.037 4.100 1.00 10.00 H new ATOM 0 HG13 VAL A 101 8.299 -7.579 4.447 1.00 10.00 H new ATOM 0 HG21 VAL A 101 6.087 -5.596 3.647 1.00 10.00 H new ATOM 0 HG22 VAL A 101 7.771 -5.421 3.098 1.00 10.00 H new ATOM 0 HG23 VAL A 101 6.449 -5.483 1.908 1.00 10.00 H new ATOM 1253 N GLN A 102 10.045 -8.402 2.753 1.00 10.00 N ATOM 1254 CA GLN A 102 11.416 -8.202 3.199 1.00 10.00 C ATOM 1255 C GLN A 102 12.332 -8.047 1.991 1.00 10.00 C ATOM 1256 O GLN A 102 13.198 -7.167 1.957 1.00 10.00 O ATOM 1257 CB GLN A 102 11.872 -9.367 4.076 1.00 10.00 C ATOM 1258 CG GLN A 102 11.389 -9.261 5.510 1.00 10.00 C ATOM 1259 CD GLN A 102 11.677 -10.509 6.315 1.00 10.00 C ATOM 1260 OE1 GLN A 102 12.762 -10.661 6.877 1.00 10.00 O ATOM 1261 NE2 GLN A 102 10.710 -11.410 6.385 1.00 10.00 N ATOM 0 H GLN A 102 9.663 -9.326 2.957 1.00 10.00 H new ATOM 0 HA GLN A 102 11.464 -7.292 3.797 1.00 10.00 H new ATOM 0 HB2 GLN A 102 11.510 -10.301 3.646 1.00 10.00 H new ATOM 0 HB3 GLN A 102 12.961 -9.414 4.069 1.00 10.00 H new ATOM 0 HG2 GLN A 102 11.867 -8.406 5.988 1.00 10.00 H new ATOM 0 HG3 GLN A 102 10.316 -9.070 5.515 1.00 10.00 H new ATOM 0 HE21 GLN A 102 9.825 -11.247 5.905 1.00 10.00 H new ATOM 0 HE22 GLN A 102 10.850 -12.268 6.919 1.00 10.00 H new ATOM 1270 N GLN A 103 12.117 -8.894 0.988 1.00 10.00 N ATOM 1271 CA GLN A 103 12.906 -8.843 -0.234 1.00 10.00 C ATOM 1272 C GLN A 103 12.611 -7.551 -0.984 1.00 10.00 C ATOM 1273 O GLN A 103 13.512 -6.924 -1.536 1.00 10.00 O ATOM 1274 CB GLN A 103 12.603 -10.045 -1.128 1.00 10.00 C ATOM 1275 CG GLN A 103 13.425 -10.062 -2.403 1.00 10.00 C ATOM 1276 CD GLN A 103 14.892 -10.343 -2.146 1.00 10.00 C ATOM 1277 OE1 GLN A 103 15.671 -9.435 -1.853 1.00 10.00 O ATOM 1278 NE2 GLN A 103 15.281 -11.600 -2.259 1.00 10.00 N ATOM 0 H GLN A 103 11.403 -9.622 1.000 1.00 10.00 H new ATOM 0 HA GLN A 103 13.962 -8.873 0.035 1.00 10.00 H new ATOM 0 HB2 GLN A 103 12.791 -10.962 -0.570 1.00 10.00 H new ATOM 0 HB3 GLN A 103 11.544 -10.040 -1.386 1.00 10.00 H new ATOM 0 HG2 GLN A 103 13.026 -10.819 -3.078 1.00 10.00 H new ATOM 0 HG3 GLN A 103 13.326 -9.101 -2.908 1.00 10.00 H new ATOM 0 HE21 GLN A 103 14.605 -12.323 -2.504 1.00 10.00 H new ATOM 0 HE22 GLN A 103 16.258 -11.848 -2.102 1.00 10.00 H new ATOM 1287 N ALA A 104 11.337 -7.168 -1.001 1.00 10.00 N ATOM 1288 CA ALA A 104 10.906 -5.939 -1.660 1.00 10.00 C ATOM 1289 C ALA A 104 11.686 -4.748 -1.122 1.00 10.00 C ATOM 1290 O ALA A 104 12.192 -3.926 -1.886 1.00 10.00 O ATOM 1291 CB ALA A 104 9.411 -5.725 -1.469 1.00 10.00 C ATOM 0 H ALA A 104 10.581 -7.695 -0.563 1.00 10.00 H new ATOM 0 HA ALA A 104 11.106 -6.032 -2.727 1.00 10.00 H new ATOM 0 HB1 ALA A 104 9.109 -4.804 -1.967 1.00 10.00 H new ATOM 0 HB2 ALA A 104 8.865 -6.566 -1.898 1.00 10.00 H new ATOM 0 HB3 ALA A 104 9.187 -5.652 -0.405 1.00 10.00 H new ATOM 1297 N ALA A 105 11.792 -4.676 0.202 1.00 10.00 N ATOM 1298 CA ALA A 105 12.529 -3.606 0.856 1.00 10.00 C ATOM 1299 C ALA A 105 14.010 -3.697 0.505 1.00 10.00 C ATOM 1300 O ALA A 105 14.683 -2.684 0.316 1.00 10.00 O ATOM 1301 CB ALA A 105 12.328 -3.678 2.363 1.00 10.00 C ATOM 0 H ALA A 105 11.374 -5.350 0.843 1.00 10.00 H new ATOM 0 HA ALA A 105 12.150 -2.647 0.503 1.00 10.00 H new ATOM 0 HB1 ALA A 105 12.884 -2.873 2.843 1.00 10.00 H new ATOM 0 HB2 ALA A 105 11.268 -3.575 2.594 1.00 10.00 H new ATOM 0 HB3 ALA A 105 12.688 -4.638 2.733 1.00 10.00 H new ATOM 1307 N THR A 106 14.502 -4.923 0.392 1.00 10.00 N ATOM 1308 CA THR A 106 15.896 -5.172 0.057 1.00 10.00 C ATOM 1309 C THR A 106 16.216 -4.672 -1.355 1.00 10.00 C ATOM 1310 O THR A 106 17.172 -3.917 -1.556 1.00 10.00 O ATOM 1311 CB THR A 106 16.210 -6.679 0.159 1.00 10.00 C ATOM 1312 OG1 THR A 106 15.835 -7.164 1.457 1.00 10.00 O ATOM 1313 CG2 THR A 106 17.687 -6.953 -0.084 1.00 10.00 C ATOM 0 H THR A 106 13.949 -5.769 0.529 1.00 10.00 H new ATOM 0 HA THR A 106 16.516 -4.627 0.768 1.00 10.00 H new ATOM 0 HB THR A 106 15.637 -7.199 -0.609 1.00 10.00 H new ATOM 0 HG1 THR A 106 14.859 -7.233 1.511 1.00 10.00 H new ATOM 0 HG21 THR A 106 17.876 -8.024 -0.005 1.00 10.00 H new ATOM 0 HG22 THR A 106 17.962 -6.608 -1.081 1.00 10.00 H new ATOM 0 HG23 THR A 106 18.282 -6.424 0.660 1.00 10.00 H new ATOM 1321 N GLU A 107 15.390 -5.075 -2.316 1.00 10.00 N ATOM 1322 CA GLU A 107 15.572 -4.688 -3.710 1.00 10.00 C ATOM 1323 C GLU A 107 15.370 -3.190 -3.902 1.00 10.00 C ATOM 1324 O GLU A 107 16.154 -2.540 -4.592 1.00 10.00 O ATOM 1325 CB GLU A 107 14.618 -5.473 -4.610 1.00 10.00 C ATOM 1326 CG GLU A 107 14.999 -6.936 -4.761 1.00 10.00 C ATOM 1327 CD GLU A 107 14.379 -7.582 -5.985 1.00 10.00 C ATOM 1328 OE1 GLU A 107 14.323 -6.929 -7.050 1.00 10.00 O ATOM 1329 OE2 GLU A 107 13.964 -8.753 -5.893 1.00 10.00 O ATOM 0 H GLU A 107 14.581 -5.675 -2.152 1.00 10.00 H new ATOM 0 HA GLU A 107 16.598 -4.926 -3.991 1.00 10.00 H new ATOM 0 HB2 GLU A 107 13.609 -5.408 -4.202 1.00 10.00 H new ATOM 0 HB3 GLU A 107 14.594 -5.008 -5.595 1.00 10.00 H new ATOM 0 HG2 GLU A 107 16.084 -7.020 -4.822 1.00 10.00 H new ATOM 0 HG3 GLU A 107 14.687 -7.482 -3.871 1.00 10.00 H new ATOM 1336 N LEU A 108 14.322 -2.641 -3.289 1.00 10.00 N ATOM 1337 CA LEU A 108 14.045 -1.219 -3.390 1.00 10.00 C ATOM 1338 C LEU A 108 15.235 -0.415 -2.883 1.00 10.00 C ATOM 1339 O LEU A 108 15.699 0.510 -3.543 1.00 10.00 O ATOM 1340 CB LEU A 108 12.803 -0.869 -2.575 1.00 10.00 C ATOM 1341 CG LEU A 108 11.832 0.093 -3.247 1.00 10.00 C ATOM 1342 CD1 LEU A 108 11.167 -0.568 -4.444 1.00 10.00 C ATOM 1343 CD2 LEU A 108 10.789 0.564 -2.248 1.00 10.00 C ATOM 0 H LEU A 108 13.655 -3.163 -2.720 1.00 10.00 H new ATOM 0 HA LEU A 108 13.868 -0.971 -4.437 1.00 10.00 H new ATOM 0 HB2 LEU A 108 12.271 -1.791 -2.340 1.00 10.00 H new ATOM 0 HB3 LEU A 108 13.121 -0.435 -1.627 1.00 10.00 H new ATOM 0 HG LEU A 108 12.389 0.959 -3.604 1.00 10.00 H new ATOM 0 HD11 LEU A 108 10.477 0.135 -4.911 1.00 10.00 H new ATOM 0 HD12 LEU A 108 11.928 -0.863 -5.166 1.00 10.00 H new ATOM 0 HD13 LEU A 108 10.618 -1.450 -4.114 1.00 10.00 H new ATOM 0 HD21 LEU A 108 10.100 1.251 -2.738 1.00 10.00 H new ATOM 0 HD22 LEU A 108 10.236 -0.295 -1.867 1.00 10.00 H new ATOM 0 HD23 LEU A 108 11.282 1.074 -1.420 1.00 10.00 H new ATOM 1355 N SER A 109 15.736 -0.795 -1.713 1.00 10.00 N ATOM 1356 CA SER A 109 16.878 -0.124 -1.110 1.00 10.00 C ATOM 1357 C SER A 109 18.119 -0.226 -1.988 1.00 10.00 C ATOM 1358 O SER A 109 18.947 0.672 -1.987 1.00 10.00 O ATOM 1359 CB SER A 109 17.171 -0.710 0.267 1.00 10.00 C ATOM 1360 OG SER A 109 16.077 -0.507 1.145 1.00 10.00 O ATOM 0 H SER A 109 15.365 -1.569 -1.162 1.00 10.00 H new ATOM 0 HA SER A 109 16.621 0.931 -1.009 1.00 10.00 H new ATOM 0 HB2 SER A 109 17.377 -1.776 0.177 1.00 10.00 H new ATOM 0 HB3 SER A 109 18.066 -0.246 0.681 1.00 10.00 H new ATOM 0 HG SER A 109 15.436 -1.241 1.044 1.00 10.00 H new ATOM 1366 N ALA A 110 18.242 -1.314 -2.736 1.00 10.00 N ATOM 1367 CA ALA A 110 19.394 -1.508 -3.610 1.00 10.00 C ATOM 1368 C ALA A 110 19.441 -0.439 -4.695 1.00 10.00 C ATOM 1369 O ALA A 110 20.505 0.075 -5.036 1.00 10.00 O ATOM 1370 CB ALA A 110 19.352 -2.893 -4.235 1.00 10.00 C ATOM 0 H ALA A 110 17.562 -2.074 -2.756 1.00 10.00 H new ATOM 0 HA ALA A 110 20.298 -1.420 -3.007 1.00 10.00 H new ATOM 0 HB1 ALA A 110 20.217 -3.025 -4.885 1.00 10.00 H new ATOM 0 HB2 ALA A 110 19.370 -3.648 -3.449 1.00 10.00 H new ATOM 0 HB3 ALA A 110 18.439 -3.001 -4.820 1.00 10.00 H new ATOM 1376 N VAL A 111 18.273 -0.098 -5.218 1.00 10.00 N ATOM 1377 CA VAL A 111 18.160 0.902 -6.271 1.00 10.00 C ATOM 1378 C VAL A 111 18.051 2.307 -5.680 1.00 10.00 C ATOM 1379 O VAL A 111 18.568 3.279 -6.236 1.00 10.00 O ATOM 1380 CB VAL A 111 16.911 0.647 -7.148 1.00 10.00 C ATOM 1381 CG1 VAL A 111 17.012 1.383 -8.474 1.00 10.00 C ATOM 1382 CG2 VAL A 111 16.692 -0.840 -7.381 1.00 10.00 C ATOM 0 H VAL A 111 17.383 -0.502 -4.928 1.00 10.00 H new ATOM 0 HA VAL A 111 19.060 0.826 -6.881 1.00 10.00 H new ATOM 0 HB VAL A 111 16.049 1.035 -6.606 1.00 10.00 H new ATOM 0 HG11 VAL A 111 16.120 1.185 -9.069 1.00 10.00 H new ATOM 0 HG12 VAL A 111 17.095 2.454 -8.290 1.00 10.00 H new ATOM 0 HG13 VAL A 111 17.893 1.038 -9.015 1.00 10.00 H new ATOM 0 HG21 VAL A 111 15.807 -0.985 -8.000 1.00 10.00 H new ATOM 0 HG22 VAL A 111 17.561 -1.261 -7.886 1.00 10.00 H new ATOM 0 HG23 VAL A 111 16.551 -1.341 -6.424 1.00 10.00 H new ATOM 1392 N TYR A 112 17.385 2.394 -4.542 1.00 10.00 N ATOM 1393 CA TYR A 112 17.144 3.663 -3.866 1.00 10.00 C ATOM 1394 C TYR A 112 18.343 4.165 -3.063 1.00 10.00 C ATOM 1395 O TYR A 112 18.435 5.359 -2.785 1.00 10.00 O ATOM 1396 CB TYR A 112 15.913 3.541 -2.972 1.00 10.00 C ATOM 1397 CG TYR A 112 14.625 3.851 -3.698 1.00 10.00 C ATOM 1398 CD1 TYR A 112 14.516 3.662 -5.070 1.00 10.00 C ATOM 1399 CD2 TYR A 112 13.523 4.342 -3.018 1.00 10.00 C ATOM 1400 CE1 TYR A 112 13.347 3.952 -5.741 1.00 10.00 C ATOM 1401 CE2 TYR A 112 12.351 4.638 -3.681 1.00 10.00 C ATOM 1402 CZ TYR A 112 12.267 4.441 -5.043 1.00 10.00 C ATOM 1403 OH TYR A 112 11.100 4.743 -5.710 1.00 10.00 O ATOM 0 H TYR A 112 16.994 1.586 -4.057 1.00 10.00 H new ATOM 0 HA TYR A 112 16.972 4.408 -4.642 1.00 10.00 H new ATOM 0 HB2 TYR A 112 15.862 2.530 -2.569 1.00 10.00 H new ATOM 0 HB3 TYR A 112 16.018 4.218 -2.124 1.00 10.00 H new ATOM 0 HD1 TYR A 112 15.363 3.281 -5.621 1.00 10.00 H new ATOM 0 HD2 TYR A 112 13.583 4.496 -1.951 1.00 10.00 H new ATOM 0 HE1 TYR A 112 13.280 3.796 -6.808 1.00 10.00 H new ATOM 0 HE2 TYR A 112 11.502 5.023 -3.136 1.00 10.00 H new ATOM 0 HH TYR A 112 10.804 5.644 -5.461 1.00 10.00 H new ATOM 1413 N ALA A 113 19.226 3.262 -2.657 1.00 10.00 N ATOM 1414 CA ALA A 113 20.409 3.629 -1.872 1.00 10.00 C ATOM 1415 C ALA A 113 21.172 4.792 -2.496 1.00 10.00 C ATOM 1416 O ALA A 113 21.597 5.702 -1.795 1.00 10.00 O ATOM 1417 CB ALA A 113 21.340 2.439 -1.717 1.00 10.00 C ATOM 0 H ALA A 113 19.149 2.265 -2.857 1.00 10.00 H new ATOM 0 HA ALA A 113 20.052 3.944 -0.892 1.00 10.00 H new ATOM 0 HB1 ALA A 113 22.211 2.733 -1.132 1.00 10.00 H new ATOM 0 HB2 ALA A 113 20.816 1.631 -1.207 1.00 10.00 H new ATOM 0 HB3 ALA A 113 21.662 2.098 -2.701 1.00 10.00 H new ATOM 1423 N ALA A 114 21.324 4.768 -3.813 1.00 10.00 N ATOM 1424 CA ALA A 114 22.037 5.826 -4.520 1.00 10.00 C ATOM 1425 C ALA A 114 21.241 7.129 -4.519 1.00 10.00 C ATOM 1426 O ALA A 114 21.799 8.213 -4.681 1.00 10.00 O ATOM 1427 CB ALA A 114 22.333 5.394 -5.945 1.00 10.00 C ATOM 0 H ALA A 114 20.963 4.028 -4.415 1.00 10.00 H new ATOM 0 HA ALA A 114 22.976 6.006 -3.998 1.00 10.00 H new ATOM 0 HB1 ALA A 114 22.865 6.191 -6.464 1.00 10.00 H new ATOM 0 HB2 ALA A 114 22.949 4.495 -5.932 1.00 10.00 H new ATOM 0 HB3 ALA A 114 21.397 5.185 -6.464 1.00 10.00 H new ATOM 1433 N GLN A 115 19.936 7.014 -4.323 1.00 10.00 N ATOM 1434 CA GLN A 115 19.054 8.173 -4.299 1.00 10.00 C ATOM 1435 C GLN A 115 18.972 8.756 -2.891 1.00 10.00 C ATOM 1436 O GLN A 115 18.463 9.859 -2.689 1.00 10.00 O ATOM 1437 CB GLN A 115 17.656 7.783 -4.781 1.00 10.00 C ATOM 1438 CG GLN A 115 17.624 7.234 -6.199 1.00 10.00 C ATOM 1439 CD GLN A 115 18.098 8.241 -7.226 1.00 10.00 C ATOM 1440 OE1 GLN A 115 17.977 9.451 -7.028 1.00 10.00 O ATOM 1441 NE2 GLN A 115 18.634 7.754 -8.332 1.00 10.00 N ATOM 0 H GLN A 115 19.461 6.123 -4.177 1.00 10.00 H new ATOM 0 HA GLN A 115 19.464 8.930 -4.968 1.00 10.00 H new ATOM 0 HB2 GLN A 115 17.244 7.035 -4.103 1.00 10.00 H new ATOM 0 HB3 GLN A 115 17.006 8.656 -4.725 1.00 10.00 H new ATOM 0 HG2 GLN A 115 18.250 6.343 -6.254 1.00 10.00 H new ATOM 0 HG3 GLN A 115 16.607 6.925 -6.442 1.00 10.00 H new ATOM 0 HE21 GLN A 115 18.716 6.745 -8.458 1.00 10.00 H new ATOM 0 HE22 GLN A 115 18.965 8.387 -9.060 1.00 10.00 H new ATOM 1450 N GLY A 116 19.463 8.000 -1.919 1.00 10.00 N ATOM 1451 CA GLY A 116 19.440 8.449 -0.542 1.00 10.00 C ATOM 1452 C GLY A 116 18.255 7.905 0.221 1.00 10.00 C ATOM 1453 O GLY A 116 17.900 8.422 1.278 1.00 10.00 O ATOM 0 H GLY A 116 19.879 7.079 -2.061 1.00 10.00 H new ATOM 0 HA2 GLY A 116 20.361 8.140 -0.047 1.00 10.00 H new ATOM 0 HA3 GLY A 116 19.415 9.538 -0.518 1.00 10.00 H new ATOM 1457 N VAL A 117 17.650 6.846 -0.295 1.00 10.00 N ATOM 1458 CA VAL A 117 16.491 6.247 0.351 1.00 10.00 C ATOM 1459 C VAL A 117 16.732 4.770 0.646 1.00 10.00 C ATOM 1460 O VAL A 117 17.293 4.047 -0.173 1.00 10.00 O ATOM 1461 CB VAL A 117 15.221 6.384 -0.520 1.00 10.00 C ATOM 1462 CG1 VAL A 117 14.012 5.793 0.191 1.00 10.00 C ATOM 1463 CG2 VAL A 117 14.963 7.841 -0.879 1.00 10.00 C ATOM 0 H VAL A 117 17.941 6.384 -1.157 1.00 10.00 H new ATOM 0 HA VAL A 117 16.338 6.785 1.286 1.00 10.00 H new ATOM 0 HB VAL A 117 15.386 5.827 -1.442 1.00 10.00 H new ATOM 0 HG11 VAL A 117 13.130 5.901 -0.440 1.00 10.00 H new ATOM 0 HG12 VAL A 117 14.188 4.736 0.391 1.00 10.00 H new ATOM 0 HG13 VAL A 117 13.851 6.318 1.132 1.00 10.00 H new ATOM 0 HG21 VAL A 117 14.064 7.911 -1.492 1.00 10.00 H new ATOM 0 HG22 VAL A 117 14.826 8.422 0.033 1.00 10.00 H new ATOM 0 HG23 VAL A 117 15.813 8.235 -1.436 1.00 10.00 H new ATOM 1473 N SER A 118 16.330 4.336 1.825 1.00 10.00 N ATOM 1474 CA SER A 118 16.470 2.950 2.225 1.00 10.00 C ATOM 1475 C SER A 118 15.208 2.499 2.952 1.00 10.00 C ATOM 1476 O SER A 118 14.805 3.101 3.943 1.00 10.00 O ATOM 1477 CB SER A 118 17.715 2.773 3.100 1.00 10.00 C ATOM 1478 OG SER A 118 18.865 2.556 2.297 1.00 10.00 O ATOM 0 H SER A 118 15.898 4.933 2.531 1.00 10.00 H new ATOM 0 HA SER A 118 16.598 2.326 1.341 1.00 10.00 H new ATOM 0 HB2 SER A 118 17.859 3.658 3.719 1.00 10.00 H new ATOM 0 HB3 SER A 118 17.573 1.930 3.777 1.00 10.00 H new ATOM 0 HG SER A 118 18.711 2.919 1.400 1.00 10.00 H new ATOM 1484 N VAL A 119 14.577 1.457 2.436 1.00 10.00 N ATOM 1485 CA VAL A 119 13.350 0.932 3.018 1.00 10.00 C ATOM 1486 C VAL A 119 13.606 -0.390 3.725 1.00 10.00 C ATOM 1487 O VAL A 119 14.372 -1.225 3.245 1.00 10.00 O ATOM 1488 CB VAL A 119 12.258 0.721 1.947 1.00 10.00 C ATOM 1489 CG1 VAL A 119 11.666 2.046 1.506 1.00 10.00 C ATOM 1490 CG2 VAL A 119 12.814 -0.024 0.749 1.00 10.00 C ATOM 0 H VAL A 119 14.897 0.954 1.608 1.00 10.00 H new ATOM 0 HA VAL A 119 13.002 1.672 3.739 1.00 10.00 H new ATOM 0 HB VAL A 119 11.467 0.120 2.395 1.00 10.00 H new ATOM 0 HG11 VAL A 119 10.900 1.869 0.751 1.00 10.00 H new ATOM 0 HG12 VAL A 119 11.221 2.549 2.364 1.00 10.00 H new ATOM 0 HG13 VAL A 119 12.452 2.673 1.085 1.00 10.00 H new ATOM 0 HG21 VAL A 119 12.026 -0.161 0.008 1.00 10.00 H new ATOM 0 HG22 VAL A 119 13.630 0.550 0.310 1.00 10.00 H new ATOM 0 HG23 VAL A 119 13.186 -0.998 1.067 1.00 10.00 H new ATOM 1500 N SER A 120 12.983 -0.572 4.874 1.00 10.00 N ATOM 1501 CA SER A 120 13.137 -1.797 5.635 1.00 10.00 C ATOM 1502 C SER A 120 11.869 -2.095 6.424 1.00 10.00 C ATOM 1503 O SER A 120 11.203 -1.183 6.905 1.00 10.00 O ATOM 1504 CB SER A 120 14.331 -1.687 6.584 1.00 10.00 C ATOM 1505 OG SER A 120 15.519 -1.379 5.873 1.00 10.00 O ATOM 0 H SER A 120 12.363 0.116 5.302 1.00 10.00 H new ATOM 0 HA SER A 120 13.316 -2.615 4.938 1.00 10.00 H new ATOM 0 HB2 SER A 120 14.138 -0.915 7.329 1.00 10.00 H new ATOM 0 HB3 SER A 120 14.459 -2.625 7.124 1.00 10.00 H new ATOM 0 HG SER A 120 16.268 -1.312 6.501 1.00 10.00 H new ATOM 1511 N VAL A 121 11.535 -3.366 6.544 1.00 10.00 N ATOM 1512 CA VAL A 121 10.353 -3.777 7.271 1.00 10.00 C ATOM 1513 C VAL A 121 10.762 -4.387 8.603 1.00 10.00 C ATOM 1514 O VAL A 121 11.543 -5.336 8.656 1.00 10.00 O ATOM 1515 CB VAL A 121 9.496 -4.771 6.449 1.00 10.00 C ATOM 1516 CG1 VAL A 121 10.359 -5.854 5.824 1.00 10.00 C ATOM 1517 CG2 VAL A 121 8.399 -5.389 7.301 1.00 10.00 C ATOM 0 H VAL A 121 12.071 -4.135 6.143 1.00 10.00 H new ATOM 0 HA VAL A 121 9.736 -2.897 7.454 1.00 10.00 H new ATOM 0 HB VAL A 121 9.023 -4.207 5.645 1.00 10.00 H new ATOM 0 HG11 VAL A 121 9.729 -6.537 5.253 1.00 10.00 H new ATOM 0 HG12 VAL A 121 11.093 -5.397 5.160 1.00 10.00 H new ATOM 0 HG13 VAL A 121 10.875 -6.407 6.609 1.00 10.00 H new ATOM 0 HG21 VAL A 121 7.815 -6.082 6.695 1.00 10.00 H new ATOM 0 HG22 VAL A 121 8.847 -5.926 8.137 1.00 10.00 H new ATOM 0 HG23 VAL A 121 7.748 -4.602 7.682 1.00 10.00 H new ATOM 1527 N SER A 122 10.259 -3.815 9.677 1.00 10.00 N ATOM 1528 CA SER A 122 10.580 -4.285 11.008 1.00 10.00 C ATOM 1529 C SER A 122 9.343 -4.245 11.899 1.00 10.00 C ATOM 1530 O SER A 122 8.700 -3.200 12.027 1.00 10.00 O ATOM 1531 CB SER A 122 11.700 -3.421 11.593 1.00 10.00 C ATOM 1532 OG SER A 122 12.856 -3.440 10.762 1.00 10.00 O ATOM 0 H SER A 122 9.622 -3.019 9.653 1.00 10.00 H new ATOM 0 HA SER A 122 10.920 -5.319 10.955 1.00 10.00 H new ATOM 0 HB2 SER A 122 11.349 -2.396 11.708 1.00 10.00 H new ATOM 0 HB3 SER A 122 11.959 -3.782 12.588 1.00 10.00 H new ATOM 0 HG SER A 122 13.554 -2.879 11.160 1.00 10.00 H new ATOM 1538 N ALA A 123 9.008 -5.397 12.485 1.00 10.00 N ATOM 1539 CA ALA A 123 7.848 -5.531 13.369 1.00 10.00 C ATOM 1540 C ALA A 123 6.553 -5.244 12.613 1.00 10.00 C ATOM 1541 O ALA A 123 5.687 -4.507 13.095 1.00 10.00 O ATOM 1542 CB ALA A 123 7.987 -4.618 14.584 1.00 10.00 C ATOM 0 H ALA A 123 9.533 -6.263 12.360 1.00 10.00 H new ATOM 0 HA ALA A 123 7.807 -6.561 13.724 1.00 10.00 H new ATOM 0 HB1 ALA A 123 7.115 -4.733 15.227 1.00 10.00 H new ATOM 0 HB2 ALA A 123 8.886 -4.886 15.140 1.00 10.00 H new ATOM 0 HB3 ALA A 123 8.060 -3.582 14.254 1.00 10.00 H new ATOM 1548 N ASN A 124 6.432 -5.842 11.422 1.00 10.00 N ATOM 1549 CA ASN A 124 5.255 -5.666 10.563 1.00 10.00 C ATOM 1550 C ASN A 124 4.994 -4.188 10.318 1.00 10.00 C ATOM 1551 O ASN A 124 3.850 -3.718 10.324 1.00 10.00 O ATOM 1552 CB ASN A 124 4.017 -6.340 11.165 1.00 10.00 C ATOM 1553 CG ASN A 124 3.842 -7.765 10.673 1.00 10.00 C ATOM 1554 OD1 ASN A 124 4.507 -8.195 9.728 1.00 10.00 O ATOM 1555 ND2 ASN A 124 2.943 -8.506 11.299 1.00 10.00 N ATOM 0 H ASN A 124 7.143 -6.458 11.028 1.00 10.00 H new ATOM 0 HA ASN A 124 5.462 -6.148 9.608 1.00 10.00 H new ATOM 0 HB2 ASN A 124 4.098 -6.340 12.252 1.00 10.00 H new ATOM 0 HB3 ASN A 124 3.130 -5.759 10.912 1.00 10.00 H new ATOM 0 HD21 ASN A 124 2.781 -9.469 11.004 1.00 10.00 H new ATOM 0 HD22 ASN A 124 2.412 -8.115 12.077 1.00 10.00 H new ATOM 1562 N LYS A 125 6.073 -3.464 10.108 1.00 10.00 N ATOM 1563 CA LYS A 125 6.010 -2.044 9.851 1.00 10.00 C ATOM 1564 C LYS A 125 7.072 -1.681 8.830 1.00 10.00 C ATOM 1565 O LYS A 125 8.235 -2.054 8.982 1.00 10.00 O ATOM 1566 CB LYS A 125 6.237 -1.262 11.146 1.00 10.00 C ATOM 1567 CG LYS A 125 5.930 0.223 11.037 1.00 10.00 C ATOM 1568 CD LYS A 125 6.242 0.949 12.337 1.00 10.00 C ATOM 1569 CE LYS A 125 5.648 2.345 12.359 1.00 10.00 C ATOM 1570 NZ LYS A 125 5.439 2.838 13.745 1.00 10.00 N ATOM 0 H LYS A 125 7.019 -3.846 10.111 1.00 10.00 H new ATOM 0 HA LYS A 125 5.025 -1.787 9.463 1.00 10.00 H new ATOM 0 HB2 LYS A 125 5.617 -1.693 11.932 1.00 10.00 H new ATOM 0 HB3 LYS A 125 7.275 -1.386 11.455 1.00 10.00 H new ATOM 0 HG2 LYS A 125 6.513 0.659 10.226 1.00 10.00 H new ATOM 0 HG3 LYS A 125 4.879 0.362 10.784 1.00 10.00 H new ATOM 0 HD2 LYS A 125 5.851 0.374 13.177 1.00 10.00 H new ATOM 0 HD3 LYS A 125 7.322 1.011 12.468 1.00 10.00 H new ATOM 0 HE2 LYS A 125 6.309 3.029 11.827 1.00 10.00 H new ATOM 0 HE3 LYS A 125 4.696 2.343 11.827 1.00 10.00 H new ATOM 0 HZ1 LYS A 125 5.032 3.795 13.716 1.00 10.00 H new ATOM 0 HZ2 LYS A 125 4.788 2.200 14.246 1.00 10.00 H new ATOM 0 HZ3 LYS A 125 6.351 2.865 14.245 1.00 10.00 H new ATOM 1584 N LEU A 126 6.673 -0.979 7.791 1.00 10.00 N ATOM 1585 CA LEU A 126 7.602 -0.568 6.756 1.00 10.00 C ATOM 1586 C LEU A 126 8.210 0.764 7.139 1.00 10.00 C ATOM 1587 O LEU A 126 7.494 1.738 7.352 1.00 10.00 O ATOM 1588 CB LEU A 126 6.887 -0.448 5.412 1.00 10.00 C ATOM 1589 CG LEU A 126 6.663 -1.768 4.681 1.00 10.00 C ATOM 1590 CD1 LEU A 126 5.580 -1.617 3.628 1.00 10.00 C ATOM 1591 CD2 LEU A 126 7.960 -2.252 4.048 1.00 10.00 C ATOM 0 H LEU A 126 5.710 -0.680 7.639 1.00 10.00 H new ATOM 0 HA LEU A 126 8.387 -1.318 6.660 1.00 10.00 H new ATOM 0 HB2 LEU A 126 5.920 0.029 5.573 1.00 10.00 H new ATOM 0 HB3 LEU A 126 7.466 0.213 4.767 1.00 10.00 H new ATOM 0 HG LEU A 126 6.334 -2.512 5.406 1.00 10.00 H new ATOM 0 HD11 LEU A 126 5.434 -2.569 3.117 1.00 10.00 H new ATOM 0 HD12 LEU A 126 4.648 -1.315 4.105 1.00 10.00 H new ATOM 0 HD13 LEU A 126 5.879 -0.859 2.904 1.00 10.00 H new ATOM 0 HD21 LEU A 126 7.783 -3.195 3.531 1.00 10.00 H new ATOM 0 HD22 LEU A 126 8.317 -1.508 3.335 1.00 10.00 H new ATOM 0 HD23 LEU A 126 8.711 -2.400 4.824 1.00 10.00 H new ATOM 1603 N LEU A 127 9.520 0.806 7.233 1.00 10.00 N ATOM 1604 CA LEU A 127 10.203 2.021 7.613 1.00 10.00 C ATOM 1605 C LEU A 127 11.042 2.537 6.468 1.00 10.00 C ATOM 1606 O LEU A 127 11.745 1.775 5.804 1.00 10.00 O ATOM 1607 CB LEU A 127 11.104 1.779 8.823 1.00 10.00 C ATOM 1608 CG LEU A 127 10.478 0.997 9.979 1.00 10.00 C ATOM 1609 CD1 LEU A 127 11.397 1.025 11.180 1.00 10.00 C ATOM 1610 CD2 LEU A 127 9.126 1.566 10.357 1.00 10.00 C ATOM 0 H LEU A 127 10.134 0.012 7.051 1.00 10.00 H new ATOM 0 HA LEU A 127 9.446 2.762 7.871 1.00 10.00 H new ATOM 0 HB2 LEU A 127 11.993 1.244 8.488 1.00 10.00 H new ATOM 0 HB3 LEU A 127 11.437 2.745 9.202 1.00 10.00 H new ATOM 0 HG LEU A 127 10.337 -0.033 9.652 1.00 10.00 H new ATOM 0 HD11 LEU A 127 10.943 0.466 11.998 1.00 10.00 H new ATOM 0 HD12 LEU A 127 12.353 0.572 10.917 1.00 10.00 H new ATOM 0 HD13 LEU A 127 11.558 2.057 11.491 1.00 10.00 H new ATOM 0 HD21 LEU A 127 8.706 0.989 11.181 1.00 10.00 H new ATOM 0 HD22 LEU A 127 9.242 2.606 10.663 1.00 10.00 H new ATOM 0 HD23 LEU A 127 8.456 1.513 9.499 1.00 10.00 H new ATOM 1622 N VAL A 128 10.945 3.823 6.224 1.00 10.00 N ATOM 1623 CA VAL A 128 11.724 4.456 5.182 1.00 10.00 C ATOM 1624 C VAL A 128 12.743 5.368 5.837 1.00 10.00 C ATOM 1625 O VAL A 128 12.371 6.306 6.535 1.00 10.00 O ATOM 1626 CB VAL A 128 10.834 5.287 4.239 1.00 10.00 C ATOM 1627 CG1 VAL A 128 11.533 5.525 2.913 1.00 10.00 C ATOM 1628 CG2 VAL A 128 9.491 4.608 4.030 1.00 10.00 C ATOM 0 H VAL A 128 10.331 4.456 6.736 1.00 10.00 H new ATOM 0 HA VAL A 128 12.212 3.683 4.589 1.00 10.00 H new ATOM 0 HB VAL A 128 10.654 6.256 4.705 1.00 10.00 H new ATOM 0 HG11 VAL A 128 10.887 6.114 2.262 1.00 10.00 H new ATOM 0 HG12 VAL A 128 12.464 6.065 3.084 1.00 10.00 H new ATOM 0 HG13 VAL A 128 11.750 4.568 2.439 1.00 10.00 H new ATOM 0 HG21 VAL A 128 8.878 5.212 3.361 1.00 10.00 H new ATOM 0 HG22 VAL A 128 9.646 3.623 3.590 1.00 10.00 H new ATOM 0 HG23 VAL A 128 8.984 4.501 4.989 1.00 10.00 H new ATOM 1638 N GLN A 129 14.016 5.102 5.614 1.00 10.00 N ATOM 1639 CA GLN A 129 15.074 5.899 6.214 1.00 10.00 C ATOM 1640 C GLN A 129 16.022 6.428 5.155 1.00 10.00 C ATOM 1641 O GLN A 129 16.403 5.706 4.233 1.00 10.00 O ATOM 1642 CB GLN A 129 15.858 5.065 7.233 1.00 10.00 C ATOM 1643 CG GLN A 129 15.014 4.542 8.386 1.00 10.00 C ATOM 1644 CD GLN A 129 14.657 3.074 8.237 1.00 10.00 C ATOM 1645 OE1 GLN A 129 14.527 2.562 7.127 1.00 10.00 O ATOM 1646 NE2 GLN A 129 14.501 2.386 9.356 1.00 10.00 N ATOM 0 H GLN A 129 14.345 4.340 5.021 1.00 10.00 H new ATOM 0 HA GLN A 129 14.609 6.744 6.721 1.00 10.00 H new ATOM 0 HB2 GLN A 129 16.316 4.220 6.719 1.00 10.00 H new ATOM 0 HB3 GLN A 129 16.669 5.671 7.636 1.00 10.00 H new ATOM 0 HG2 GLN A 129 15.556 4.686 9.321 1.00 10.00 H new ATOM 0 HG3 GLN A 129 14.098 5.129 8.455 1.00 10.00 H new ATOM 0 HE21 GLN A 129 14.617 2.847 10.258 1.00 10.00 H new ATOM 0 HE22 GLN A 129 14.264 1.395 9.316 1.00 10.00 H new ATOM 1655 N PRO A 130 16.397 7.705 5.255 1.00 10.00 N ATOM 1656 CA PRO A 130 17.322 8.317 4.314 1.00 10.00 C ATOM 1657 C PRO A 130 18.770 7.957 4.632 1.00 10.00 C ATOM 1658 O PRO A 130 19.197 7.996 5.791 1.00 10.00 O ATOM 1659 CB PRO A 130 17.077 9.809 4.511 1.00 10.00 C ATOM 1660 CG PRO A 130 16.644 9.939 5.931 1.00 10.00 C ATOM 1661 CD PRO A 130 15.931 8.657 6.280 1.00 10.00 C ATOM 0 HA PRO A 130 17.163 7.982 3.289 1.00 10.00 H new ATOM 0 HB2 PRO A 130 17.981 10.387 4.318 1.00 10.00 H new ATOM 0 HB3 PRO A 130 16.311 10.178 3.829 1.00 10.00 H new ATOM 0 HG2 PRO A 130 17.501 10.097 6.585 1.00 10.00 H new ATOM 0 HG3 PRO A 130 15.984 10.797 6.058 1.00 10.00 H new ATOM 0 HD2 PRO A 130 16.185 8.319 7.285 1.00 10.00 H new ATOM 0 HD3 PRO A 130 14.848 8.780 6.249 1.00 10.00 H new ATOM 1669 N VAL A 131 19.520 7.601 3.604 1.00 10.00 N ATOM 1670 CA VAL A 131 20.918 7.238 3.777 1.00 10.00 C ATOM 1671 C VAL A 131 21.829 8.349 3.263 1.00 10.00 C ATOM 1672 O VAL A 131 21.489 9.048 2.304 1.00 10.00 O ATOM 1673 CB VAL A 131 21.275 5.916 3.068 1.00 10.00 C ATOM 1674 CG1 VAL A 131 20.811 4.730 3.894 1.00 10.00 C ATOM 1675 CG2 VAL A 131 20.679 5.864 1.671 1.00 10.00 C ATOM 0 H VAL A 131 19.186 7.555 2.641 1.00 10.00 H new ATOM 0 HA VAL A 131 21.073 7.097 4.847 1.00 10.00 H new ATOM 0 HB VAL A 131 22.359 5.867 2.969 1.00 10.00 H new ATOM 0 HG11 VAL A 131 21.071 3.805 3.380 1.00 10.00 H new ATOM 0 HG12 VAL A 131 21.298 4.752 4.869 1.00 10.00 H new ATOM 0 HG13 VAL A 131 19.730 4.780 4.028 1.00 10.00 H new ATOM 0 HG21 VAL A 131 20.948 4.921 1.196 1.00 10.00 H new ATOM 0 HG22 VAL A 131 19.594 5.942 1.735 1.00 10.00 H new ATOM 0 HG23 VAL A 131 21.068 6.692 1.079 1.00 10.00 H new