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 63 THR OG1 : rot -50:sc= 0.655 USER MOD Set 1.2: A 66 THR OG1 : rot 180:sc= 0.673 USER MOD Set 2.1: A 58 THR OG1 : rot -32:sc= 1.02 USER MOD Set 2.2: A 60 MET CE :methyl -161:sc= -0.113 (180deg=-0.547) USER MOD Set 3.1: A 55 TYR OH : rot 50:sc= 0.986 USER MOD Set 3.2: A 75 SER OG : rot 82:sc= 2.01 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 56 GLN : amide:sc= -0.029 K(o=-0.029,f=-1.2) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -131:sc= -1.97 (180deg=-3.14!) USER MOD Single : A 76 ASN : amide:sc= -0.118 K(o=-0.12,f=-1.3) USER MOD Single : A 77 MET CE :methyl -114:sc= -1.47 (180deg=-3.35!) USER MOD Single : A 78 GLN : amide:sc= -0.317 K(o=-0.32,f=-1) USER MOD Single : A 80 SER OG : rot -177:sc= -1.87! USER MOD Single : A 81 TYR OH : rot -147:sc= -1.72! USER MOD Single : A 82 ASN : amide:sc= 0.624 K(o=0.62,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= -0.0628 USER MOD Single : A 87 TYR OH : rot 30:sc= -0.563 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.0942 USER MOD Single : A 94 SER OG : rot 180:sc= 0.0175 USER MOD Single : A 97 SER OG : rot 180:sc=-0.00267 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0169 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 100 SER OG : rot 180:sc= 0.296 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 GLN : amide:sc= -0.311 X(o=-0.31,f=-0.71) USER MOD Single : A 106 THR OG1 : rot 83:sc= 1.28 USER MOD Single : A 109 SER OG : rot -91:sc= 1.3 USER MOD Single : A 112 TYR OH : rot 180:sc= -0.565 USER MOD Single : A 115 GLN : amide:sc= -1.54 K(o=-1.5,f=-2.2) USER MOD Single : A 118 SER OG : rot -160:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= -0.164 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -0.17 K(o=-0.17,f=-1.9!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 510 N TYR A 53 0.148 -11.309 -1.333 1.00 10.00 N ATOM 511 CA TYR A 53 0.130 -10.073 -2.095 1.00 10.00 C ATOM 512 C TYR A 53 1.484 -9.801 -2.737 1.00 10.00 C ATOM 513 O TYR A 53 2.522 -9.852 -2.074 1.00 10.00 O ATOM 514 CB TYR A 53 -0.258 -8.916 -1.174 1.00 10.00 C ATOM 515 CG TYR A 53 -0.399 -7.579 -1.868 1.00 10.00 C ATOM 516 CD1 TYR A 53 -1.064 -7.466 -3.083 1.00 10.00 C ATOM 517 CD2 TYR A 53 0.126 -6.428 -1.297 1.00 10.00 C ATOM 518 CE1 TYR A 53 -1.197 -6.243 -3.709 1.00 10.00 C ATOM 519 CE2 TYR A 53 -0.007 -5.202 -1.916 1.00 10.00 C ATOM 520 CZ TYR A 53 -0.667 -5.114 -3.120 1.00 10.00 C ATOM 521 OH TYR A 53 -0.804 -3.891 -3.737 1.00 10.00 O ATOM 0 HA TYR A 53 -0.604 -10.168 -2.895 1.00 10.00 H new ATOM 0 HB2 TYR A 53 -1.202 -9.158 -0.686 1.00 10.00 H new ATOM 0 HB3 TYR A 53 0.493 -8.826 -0.389 1.00 10.00 H new ATOM 0 HD1 TYR A 53 -1.483 -8.348 -3.544 1.00 10.00 H new ATOM 0 HD2 TYR A 53 0.647 -6.493 -0.353 1.00 10.00 H new ATOM 0 HE1 TYR A 53 -1.713 -6.171 -4.655 1.00 10.00 H new ATOM 0 HE2 TYR A 53 0.405 -4.315 -1.457 1.00 10.00 H new ATOM 0 HH TYR A 53 -0.376 -3.199 -3.191 1.00 10.00 H new ATOM 531 N THR A 54 1.462 -9.522 -4.029 1.00 10.00 N ATOM 532 CA THR A 54 2.676 -9.224 -4.756 1.00 10.00 C ATOM 533 C THR A 54 2.986 -7.735 -4.669 1.00 10.00 C ATOM 534 O THR A 54 2.244 -6.900 -5.193 1.00 10.00 O ATOM 535 CB THR A 54 2.564 -9.639 -6.231 1.00 10.00 C ATOM 536 OG1 THR A 54 1.866 -10.888 -6.334 1.00 10.00 O ATOM 537 CG2 THR A 54 3.939 -9.769 -6.865 1.00 10.00 C ATOM 0 H THR A 54 0.613 -9.497 -4.594 1.00 10.00 H new ATOM 0 HA THR A 54 3.484 -9.795 -4.300 1.00 10.00 H new ATOM 0 HB THR A 54 2.010 -8.865 -6.762 1.00 10.00 H new ATOM 0 HG1 THR A 54 1.796 -11.147 -7.277 1.00 10.00 H new ATOM 0 HG21 THR A 54 3.832 -10.064 -7.909 1.00 10.00 H new ATOM 0 HG22 THR A 54 4.457 -8.812 -6.809 1.00 10.00 H new ATOM 0 HG23 THR A 54 4.515 -10.525 -6.332 1.00 10.00 H new ATOM 545 N TYR A 55 4.076 -7.412 -4.003 1.00 10.00 N ATOM 546 CA TYR A 55 4.489 -6.032 -3.836 1.00 10.00 C ATOM 547 C TYR A 55 5.200 -5.544 -5.089 1.00 10.00 C ATOM 548 O TYR A 55 6.315 -5.980 -5.389 1.00 10.00 O ATOM 549 CB TYR A 55 5.418 -5.898 -2.628 1.00 10.00 C ATOM 550 CG TYR A 55 4.800 -6.359 -1.329 1.00 10.00 C ATOM 551 CD1 TYR A 55 3.909 -5.548 -0.639 1.00 10.00 C ATOM 552 CD2 TYR A 55 5.103 -7.604 -0.792 1.00 10.00 C ATOM 553 CE1 TYR A 55 3.340 -5.964 0.549 1.00 10.00 C ATOM 554 CE2 TYR A 55 4.535 -8.026 0.394 1.00 10.00 C ATOM 555 CZ TYR A 55 3.655 -7.204 1.060 1.00 10.00 C ATOM 556 OH TYR A 55 3.088 -7.626 2.240 1.00 10.00 O ATOM 0 H TYR A 55 4.697 -8.092 -3.565 1.00 10.00 H new ATOM 0 HA TYR A 55 3.602 -5.422 -3.668 1.00 10.00 H new ATOM 0 HB2 TYR A 55 6.324 -6.474 -2.813 1.00 10.00 H new ATOM 0 HB3 TYR A 55 5.719 -4.855 -2.527 1.00 10.00 H new ATOM 0 HD1 TYR A 55 3.657 -4.576 -1.037 1.00 10.00 H new ATOM 0 HD2 TYR A 55 5.794 -8.252 -1.310 1.00 10.00 H new ATOM 0 HE1 TYR A 55 2.651 -5.320 1.075 1.00 10.00 H new ATOM 0 HE2 TYR A 55 4.781 -8.997 0.797 1.00 10.00 H new ATOM 0 HH TYR A 55 2.117 -7.504 2.198 1.00 10.00 H new ATOM 566 N GLN A 56 4.538 -4.673 -5.832 1.00 10.00 N ATOM 567 CA GLN A 56 5.108 -4.119 -7.049 1.00 10.00 C ATOM 568 C GLN A 56 4.738 -2.652 -7.202 1.00 10.00 C ATOM 569 O GLN A 56 3.779 -2.178 -6.588 1.00 10.00 O ATOM 570 CB GLN A 56 4.628 -4.902 -8.272 1.00 10.00 C ATOM 571 CG GLN A 56 3.116 -5.021 -8.366 1.00 10.00 C ATOM 572 CD GLN A 56 2.654 -5.484 -9.734 1.00 10.00 C ATOM 573 OE1 GLN A 56 3.273 -5.168 -10.750 1.00 10.00 O ATOM 574 NE2 GLN A 56 1.567 -6.236 -9.774 1.00 10.00 N ATOM 0 H GLN A 56 3.602 -4.333 -5.613 1.00 10.00 H new ATOM 0 HA GLN A 56 6.193 -4.201 -6.977 1.00 10.00 H new ATOM 0 HB2 GLN A 56 5.002 -4.416 -9.173 1.00 10.00 H new ATOM 0 HB3 GLN A 56 5.061 -5.902 -8.245 1.00 10.00 H new ATOM 0 HG2 GLN A 56 2.762 -5.722 -7.610 1.00 10.00 H new ATOM 0 HG3 GLN A 56 2.664 -4.055 -8.141 1.00 10.00 H new ATOM 0 HE21 GLN A 56 1.081 -6.477 -8.910 1.00 10.00 H new ATOM 0 HE22 GLN A 56 1.214 -6.575 -10.669 1.00 10.00 H new ATOM 583 N ALA A 57 5.509 -1.940 -8.006 1.00 10.00 N ATOM 584 CA ALA A 57 5.253 -0.534 -8.260 1.00 10.00 C ATOM 585 C ALA A 57 4.390 -0.383 -9.501 1.00 10.00 C ATOM 586 O ALA A 57 4.704 -0.934 -10.561 1.00 10.00 O ATOM 587 CB ALA A 57 6.555 0.231 -8.424 1.00 10.00 C ATOM 0 H ALA A 57 6.321 -2.315 -8.496 1.00 10.00 H new ATOM 0 HA ALA A 57 4.722 -0.117 -7.404 1.00 10.00 H new ATOM 0 HB1 ALA A 57 6.338 1.282 -8.613 1.00 10.00 H new ATOM 0 HB2 ALA A 57 7.147 0.141 -7.513 1.00 10.00 H new ATOM 0 HB3 ALA A 57 7.116 -0.181 -9.263 1.00 10.00 H new ATOM 593 N THR A 58 3.295 0.337 -9.362 1.00 10.00 N ATOM 594 CA THR A 58 2.379 0.552 -10.465 1.00 10.00 C ATOM 595 C THR A 58 2.291 2.042 -10.787 1.00 10.00 C ATOM 596 O THR A 58 2.627 2.878 -9.947 1.00 10.00 O ATOM 597 CB THR A 58 0.969 0.023 -10.120 1.00 10.00 C ATOM 598 OG1 THR A 58 0.318 0.920 -9.213 1.00 10.00 O ATOM 599 CG2 THR A 58 1.040 -1.363 -9.493 1.00 10.00 C ATOM 0 H THR A 58 3.016 0.786 -8.490 1.00 10.00 H new ATOM 0 HA THR A 58 2.758 0.009 -11.331 1.00 10.00 H new ATOM 0 HB THR A 58 0.400 -0.043 -11.047 1.00 10.00 H new ATOM 0 HG1 THR A 58 0.986 1.340 -8.632 1.00 10.00 H new ATOM 0 HG21 THR A 58 0.033 -1.709 -9.261 1.00 10.00 H new ATOM 0 HG22 THR A 58 1.510 -2.055 -10.192 1.00 10.00 H new ATOM 0 HG23 THR A 58 1.628 -1.318 -8.577 1.00 10.00 H new ATOM 607 N PRO A 59 1.858 2.403 -12.007 1.00 10.00 N ATOM 608 CA PRO A 59 1.711 3.807 -12.399 1.00 10.00 C ATOM 609 C PRO A 59 0.517 4.462 -11.701 1.00 10.00 C ATOM 610 O PRO A 59 0.235 5.646 -11.895 1.00 10.00 O ATOM 611 CB PRO A 59 1.480 3.736 -13.909 1.00 10.00 C ATOM 612 CG PRO A 59 0.891 2.388 -14.138 1.00 10.00 C ATOM 613 CD PRO A 59 1.509 1.484 -13.107 1.00 10.00 C ATOM 0 HA PRO A 59 2.577 4.408 -12.124 1.00 10.00 H new ATOM 0 HB2 PRO A 59 0.806 4.525 -14.244 1.00 10.00 H new ATOM 0 HB3 PRO A 59 2.413 3.859 -14.459 1.00 10.00 H new ATOM 0 HG2 PRO A 59 -0.194 2.414 -14.034 1.00 10.00 H new ATOM 0 HG3 PRO A 59 1.107 2.034 -15.146 1.00 10.00 H new ATOM 0 HD2 PRO A 59 0.812 0.713 -12.780 1.00 10.00 H new ATOM 0 HD3 PRO A 59 2.389 0.973 -13.497 1.00 10.00 H new ATOM 621 N MET A 60 -0.180 3.667 -10.895 1.00 10.00 N ATOM 622 CA MET A 60 -1.339 4.136 -10.150 1.00 10.00 C ATOM 623 C MET A 60 -0.913 4.660 -8.790 1.00 10.00 C ATOM 624 O MET A 60 -1.574 5.519 -8.205 1.00 10.00 O ATOM 625 CB MET A 60 -2.345 2.999 -9.965 1.00 10.00 C ATOM 626 CG MET A 60 -2.904 2.455 -11.267 1.00 10.00 C ATOM 627 SD MET A 60 -4.003 1.045 -11.020 1.00 10.00 S ATOM 628 CE MET A 60 -2.856 -0.185 -10.398 1.00 10.00 C ATOM 0 H MET A 60 0.043 2.684 -10.742 1.00 10.00 H new ATOM 0 HA MET A 60 -1.808 4.942 -10.715 1.00 10.00 H new ATOM 0 HB2 MET A 60 -1.864 2.187 -9.420 1.00 10.00 H new ATOM 0 HB3 MET A 60 -3.170 3.354 -9.347 1.00 10.00 H new ATOM 0 HG2 MET A 60 -3.447 3.247 -11.783 1.00 10.00 H new ATOM 0 HG3 MET A 60 -2.080 2.158 -11.915 1.00 10.00 H new ATOM 0 HE1 MET A 60 -3.289 -1.178 -10.516 1.00 10.00 H new ATOM 0 HE2 MET A 60 -1.922 -0.127 -10.957 1.00 10.00 H new ATOM 0 HE3 MET A 60 -2.659 0.002 -9.342 1.00 10.00 H new ATOM 638 N ASP A 61 0.201 4.135 -8.293 1.00 10.00 N ATOM 639 CA ASP A 61 0.728 4.539 -6.995 1.00 10.00 C ATOM 640 C ASP A 61 1.167 5.993 -7.043 1.00 10.00 C ATOM 641 O ASP A 61 0.794 6.798 -6.190 1.00 10.00 O ATOM 642 CB ASP A 61 1.903 3.648 -6.585 1.00 10.00 C ATOM 643 CG ASP A 61 1.507 2.191 -6.431 1.00 10.00 C ATOM 644 OD1 ASP A 61 0.702 1.873 -5.532 1.00 10.00 O ATOM 645 OD2 ASP A 61 1.987 1.353 -7.221 1.00 10.00 O ATOM 0 H ASP A 61 0.758 3.427 -8.771 1.00 10.00 H new ATOM 0 HA ASP A 61 -0.062 4.428 -6.252 1.00 10.00 H new ATOM 0 HB2 ASP A 61 2.693 3.729 -7.332 1.00 10.00 H new ATOM 0 HB3 ASP A 61 2.317 4.009 -5.643 1.00 10.00 H new ATOM 650 N GLY A 62 1.955 6.328 -8.049 1.00 10.00 N ATOM 651 CA GLY A 62 2.412 7.690 -8.203 1.00 10.00 C ATOM 652 C GLY A 62 3.757 7.943 -7.557 1.00 10.00 C ATOM 653 O GLY A 62 4.745 8.200 -8.246 1.00 10.00 O ATOM 0 H GLY A 62 2.287 5.680 -8.763 1.00 10.00 H new ATOM 0 HA2 GLY A 62 2.476 7.927 -9.265 1.00 10.00 H new ATOM 0 HA3 GLY A 62 1.675 8.365 -7.769 1.00 10.00 H new ATOM 657 N THR A 63 3.810 7.856 -6.235 1.00 10.00 N ATOM 658 CA THR A 63 5.050 8.108 -5.519 1.00 10.00 C ATOM 659 C THR A 63 5.429 6.945 -4.617 1.00 10.00 C ATOM 660 O THR A 63 4.666 5.990 -4.453 1.00 10.00 O ATOM 661 CB THR A 63 4.957 9.387 -4.654 1.00 10.00 C ATOM 662 OG1 THR A 63 4.077 9.164 -3.541 1.00 10.00 O ATOM 663 CG2 THR A 63 4.455 10.570 -5.468 1.00 10.00 C ATOM 0 H THR A 63 3.016 7.615 -5.642 1.00 10.00 H new ATOM 0 HA THR A 63 5.817 8.237 -6.282 1.00 10.00 H new ATOM 0 HB THR A 63 5.958 9.619 -4.292 1.00 10.00 H new ATOM 0 HG1 THR A 63 3.233 8.785 -3.863 1.00 10.00 H new ATOM 0 HG21 THR A 63 4.401 11.453 -4.831 1.00 10.00 H new ATOM 0 HG22 THR A 63 5.140 10.760 -6.294 1.00 10.00 H new ATOM 0 HG23 THR A 63 3.464 10.346 -5.862 1.00 10.00 H new ATOM 671 N LEU A 64 6.617 7.054 -4.028 1.00 10.00 N ATOM 672 CA LEU A 64 7.139 6.046 -3.122 1.00 10.00 C ATOM 673 C LEU A 64 6.248 5.921 -1.893 1.00 10.00 C ATOM 674 O LEU A 64 5.967 4.817 -1.429 1.00 10.00 O ATOM 675 CB LEU A 64 8.561 6.423 -2.696 1.00 10.00 C ATOM 676 CG LEU A 64 9.197 5.508 -1.648 1.00 10.00 C ATOM 677 CD1 LEU A 64 9.485 4.134 -2.234 1.00 10.00 C ATOM 678 CD2 LEU A 64 10.465 6.133 -1.089 1.00 10.00 C ATOM 0 H LEU A 64 7.243 7.847 -4.169 1.00 10.00 H new ATOM 0 HA LEU A 64 7.157 5.086 -3.638 1.00 10.00 H new ATOM 0 HB2 LEU A 64 9.197 6.430 -3.581 1.00 10.00 H new ATOM 0 HB3 LEU A 64 8.547 7.440 -2.305 1.00 10.00 H new ATOM 0 HG LEU A 64 8.489 5.384 -0.829 1.00 10.00 H new ATOM 0 HD11 LEU A 64 9.937 3.500 -1.471 1.00 10.00 H new ATOM 0 HD12 LEU A 64 8.554 3.682 -2.576 1.00 10.00 H new ATOM 0 HD13 LEU A 64 10.171 4.234 -3.075 1.00 10.00 H new ATOM 0 HD21 LEU A 64 10.902 5.467 -0.345 1.00 10.00 H new ATOM 0 HD22 LEU A 64 11.179 6.293 -1.897 1.00 10.00 H new ATOM 0 HD23 LEU A 64 10.225 7.089 -0.623 1.00 10.00 H new ATOM 690 N LYS A 65 5.794 7.062 -1.385 1.00 10.00 N ATOM 691 CA LYS A 65 4.940 7.091 -0.207 1.00 10.00 C ATOM 692 C LYS A 65 3.638 6.343 -0.463 1.00 10.00 C ATOM 693 O LYS A 65 3.298 5.416 0.264 1.00 10.00 O ATOM 694 CB LYS A 65 4.641 8.534 0.201 1.00 10.00 C ATOM 695 CG LYS A 65 4.049 8.652 1.598 1.00 10.00 C ATOM 696 CD LYS A 65 3.402 10.008 1.835 1.00 10.00 C ATOM 697 CE LYS A 65 4.391 11.147 1.656 1.00 10.00 C ATOM 698 NZ LYS A 65 3.813 12.455 2.062 1.00 10.00 N ATOM 0 H LYS A 65 6.005 7.981 -1.774 1.00 10.00 H new ATOM 0 HA LYS A 65 5.470 6.596 0.606 1.00 10.00 H new ATOM 0 HB2 LYS A 65 5.561 9.116 0.153 1.00 10.00 H new ATOM 0 HB3 LYS A 65 3.949 8.972 -0.518 1.00 10.00 H new ATOM 0 HG2 LYS A 65 3.307 7.867 1.744 1.00 10.00 H new ATOM 0 HG3 LYS A 65 4.833 8.491 2.338 1.00 10.00 H new ATOM 0 HD2 LYS A 65 2.569 10.139 1.144 1.00 10.00 H new ATOM 0 HD3 LYS A 65 2.988 10.042 2.843 1.00 10.00 H new ATOM 0 HE2 LYS A 65 5.285 10.947 2.246 1.00 10.00 H new ATOM 0 HE3 LYS A 65 4.702 11.196 0.613 1.00 10.00 H new ATOM 0 HZ1 LYS A 65 4.520 13.205 1.924 1.00 10.00 H new ATOM 0 HZ2 LYS A 65 2.974 12.659 1.482 1.00 10.00 H new ATOM 0 HZ3 LYS A 65 3.539 12.417 3.065 1.00 10.00 H new ATOM 712 N THR A 66 2.935 6.735 -1.519 1.00 10.00 N ATOM 713 CA THR A 66 1.667 6.111 -1.873 1.00 10.00 C ATOM 714 C THR A 66 1.829 4.612 -2.101 1.00 10.00 C ATOM 715 O THR A 66 1.003 3.817 -1.654 1.00 10.00 O ATOM 716 CB THR A 66 1.083 6.755 -3.138 1.00 10.00 C ATOM 717 OG1 THR A 66 1.505 8.123 -3.216 1.00 10.00 O ATOM 718 CG2 THR A 66 -0.438 6.683 -3.130 1.00 10.00 C ATOM 0 H THR A 66 3.224 7.485 -2.147 1.00 10.00 H new ATOM 0 HA THR A 66 0.985 6.266 -1.037 1.00 10.00 H new ATOM 0 HB THR A 66 1.447 6.208 -4.008 1.00 10.00 H new ATOM 0 HG1 THR A 66 1.134 8.534 -4.024 1.00 10.00 H new ATOM 0 HG21 THR A 66 -0.829 7.146 -4.036 1.00 10.00 H new ATOM 0 HG22 THR A 66 -0.753 5.640 -3.090 1.00 10.00 H new ATOM 0 HG23 THR A 66 -0.823 7.212 -2.258 1.00 10.00 H new ATOM 726 N MET A 67 2.904 4.238 -2.782 1.00 10.00 N ATOM 727 CA MET A 67 3.181 2.840 -3.068 1.00 10.00 C ATOM 728 C MET A 67 3.353 2.055 -1.774 1.00 10.00 C ATOM 729 O MET A 67 2.702 1.033 -1.563 1.00 10.00 O ATOM 730 CB MET A 67 4.441 2.721 -3.925 1.00 10.00 C ATOM 731 CG MET A 67 4.716 1.311 -4.418 1.00 10.00 C ATOM 732 SD MET A 67 6.301 1.178 -5.262 1.00 10.00 S ATOM 733 CE MET A 67 7.435 1.409 -3.899 1.00 10.00 C ATOM 0 H MET A 67 3.600 4.888 -3.147 1.00 10.00 H new ATOM 0 HA MET A 67 2.337 2.423 -3.617 1.00 10.00 H new ATOM 0 HB2 MET A 67 4.349 3.385 -4.785 1.00 10.00 H new ATOM 0 HB3 MET A 67 5.297 3.067 -3.346 1.00 10.00 H new ATOM 0 HG2 MET A 67 4.698 0.623 -3.573 1.00 10.00 H new ATOM 0 HG3 MET A 67 3.919 1.004 -5.096 1.00 10.00 H new ATOM 0 HE1 MET A 67 8.184 2.153 -4.171 1.00 10.00 H new ATOM 0 HE2 MET A 67 6.885 1.751 -3.022 1.00 10.00 H new ATOM 0 HE3 MET A 67 7.929 0.464 -3.672 1.00 10.00 H new ATOM 743 N LEU A 68 4.215 2.557 -0.896 1.00 10.00 N ATOM 744 CA LEU A 68 4.474 1.906 0.381 1.00 10.00 C ATOM 745 C LEU A 68 3.222 1.890 1.254 1.00 10.00 C ATOM 746 O LEU A 68 2.964 0.912 1.955 1.00 10.00 O ATOM 747 CB LEU A 68 5.618 2.603 1.116 1.00 10.00 C ATOM 748 CG LEU A 68 6.993 2.449 0.464 1.00 10.00 C ATOM 749 CD1 LEU A 68 7.990 3.397 1.104 1.00 10.00 C ATOM 750 CD2 LEU A 68 7.485 1.011 0.572 1.00 10.00 C ATOM 0 H LEU A 68 4.747 3.414 -1.047 1.00 10.00 H new ATOM 0 HA LEU A 68 4.762 0.875 0.177 1.00 10.00 H new ATOM 0 HB2 LEU A 68 5.386 3.665 1.194 1.00 10.00 H new ATOM 0 HB3 LEU A 68 5.669 2.212 2.132 1.00 10.00 H new ATOM 0 HG LEU A 68 6.900 2.700 -0.593 1.00 10.00 H new ATOM 0 HD11 LEU A 68 8.964 3.276 0.629 1.00 10.00 H new ATOM 0 HD12 LEU A 68 7.649 4.424 0.976 1.00 10.00 H new ATOM 0 HD13 LEU A 68 8.074 3.173 2.167 1.00 10.00 H new ATOM 0 HD21 LEU A 68 8.465 0.925 0.102 1.00 10.00 H new ATOM 0 HD22 LEU A 68 7.561 0.730 1.623 1.00 10.00 H new ATOM 0 HD23 LEU A 68 6.782 0.347 0.069 1.00 10.00 H new ATOM 762 N GLU A 69 2.453 2.977 1.208 1.00 10.00 N ATOM 763 CA GLU A 69 1.221 3.077 1.982 1.00 10.00 C ATOM 764 C GLU A 69 0.252 1.978 1.576 1.00 10.00 C ATOM 765 O GLU A 69 -0.349 1.323 2.424 1.00 10.00 O ATOM 766 CB GLU A 69 0.555 4.440 1.781 1.00 10.00 C ATOM 767 CG GLU A 69 1.220 5.570 2.550 1.00 10.00 C ATOM 768 CD GLU A 69 0.478 6.881 2.413 1.00 10.00 C ATOM 769 OE1 GLU A 69 0.041 7.213 1.291 1.00 10.00 O ATOM 770 OE2 GLU A 69 0.323 7.591 3.429 1.00 10.00 O ATOM 0 H GLU A 69 2.663 3.799 0.642 1.00 10.00 H new ATOM 0 HA GLU A 69 1.479 2.964 3.035 1.00 10.00 H new ATOM 0 HB2 GLU A 69 0.562 4.684 0.719 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -0.489 4.372 2.086 1.00 10.00 H new ATOM 0 HG2 GLU A 69 1.282 5.300 3.604 1.00 10.00 H new ATOM 0 HG3 GLU A 69 2.242 5.696 2.193 1.00 10.00 H new ATOM 777 N ARG A 70 0.117 1.775 0.272 1.00 10.00 N ATOM 778 CA ARG A 70 -0.775 0.752 -0.248 1.00 10.00 C ATOM 779 C ARG A 70 -0.238 -0.635 0.074 1.00 10.00 C ATOM 780 O ARG A 70 -0.997 -1.528 0.454 1.00 10.00 O ATOM 781 CB ARG A 70 -0.953 0.914 -1.753 1.00 10.00 C ATOM 782 CG ARG A 70 -1.726 2.165 -2.137 1.00 10.00 C ATOM 783 CD ARG A 70 -2.039 2.195 -3.620 1.00 10.00 C ATOM 784 NE ARG A 70 -2.770 1.004 -4.042 1.00 10.00 N ATOM 785 CZ ARG A 70 -4.081 0.972 -4.272 1.00 10.00 C ATOM 786 NH1 ARG A 70 -4.815 2.070 -4.131 1.00 10.00 N ATOM 787 NH2 ARG A 70 -4.656 -0.160 -4.656 1.00 10.00 N ATOM 0 H ARG A 70 0.614 2.306 -0.443 1.00 10.00 H new ATOM 0 HA ARG A 70 -1.747 0.868 0.230 1.00 10.00 H new ATOM 0 HB2 ARG A 70 0.028 0.942 -2.227 1.00 10.00 H new ATOM 0 HB3 ARG A 70 -1.472 0.040 -2.146 1.00 10.00 H new ATOM 0 HG2 ARG A 70 -2.655 2.209 -1.568 1.00 10.00 H new ATOM 0 HG3 ARG A 70 -1.146 3.048 -1.869 1.00 10.00 H new ATOM 0 HD2 ARG A 70 -2.627 3.083 -3.850 1.00 10.00 H new ATOM 0 HD3 ARG A 70 -1.111 2.272 -4.186 1.00 10.00 H new ATOM 0 HE ARG A 70 -2.242 0.140 -4.169 1.00 10.00 H new ATOM 0 HH11 ARG A 70 -4.375 2.945 -3.845 1.00 10.00 H new ATOM 0 HH12 ARG A 70 -5.819 2.039 -4.309 1.00 10.00 H new ATOM 0 HH21 ARG A 70 -4.094 -1.003 -4.774 1.00 10.00 H new ATOM 0 HH22 ARG A 70 -5.660 -0.188 -4.833 1.00 10.00 H new ATOM 801 N TRP A 71 1.073 -0.806 -0.086 1.00 10.00 N ATOM 802 CA TRP A 71 1.726 -2.075 0.212 1.00 10.00 C ATOM 803 C TRP A 71 1.429 -2.485 1.648 1.00 10.00 C ATOM 804 O TRP A 71 1.033 -3.624 1.925 1.00 10.00 O ATOM 805 CB TRP A 71 3.244 -1.956 0.034 1.00 10.00 C ATOM 806 CG TRP A 71 3.727 -2.032 -1.386 1.00 10.00 C ATOM 807 CD1 TRP A 71 2.976 -2.014 -2.530 1.00 10.00 C ATOM 808 CD2 TRP A 71 5.092 -2.138 -1.805 1.00 10.00 C ATOM 809 NE1 TRP A 71 3.796 -2.100 -3.631 1.00 10.00 N ATOM 810 CE2 TRP A 71 5.098 -2.177 -3.210 1.00 10.00 C ATOM 811 CE3 TRP A 71 6.312 -2.201 -1.124 1.00 10.00 C ATOM 812 CZ2 TRP A 71 6.275 -2.278 -3.948 1.00 10.00 C ATOM 813 CZ3 TRP A 71 7.479 -2.302 -1.858 1.00 10.00 C ATOM 814 CH2 TRP A 71 7.453 -2.338 -3.257 1.00 10.00 C ATOM 0 H TRP A 71 1.704 -0.078 -0.421 1.00 10.00 H new ATOM 0 HA TRP A 71 1.341 -2.827 -0.477 1.00 10.00 H new ATOM 0 HB2 TRP A 71 3.571 -1.009 0.462 1.00 10.00 H new ATOM 0 HB3 TRP A 71 3.725 -2.748 0.608 1.00 10.00 H new ATOM 0 HD1 TRP A 71 1.899 -1.943 -2.563 1.00 10.00 H new ATOM 0 HE1 TRP A 71 3.486 -2.106 -4.603 1.00 10.00 H new ATOM 0 HE3 TRP A 71 6.342 -2.171 -0.045 1.00 10.00 H new ATOM 0 HZ2 TRP A 71 6.258 -2.308 -5.027 1.00 10.00 H new ATOM 0 HZ3 TRP A 71 8.427 -2.354 -1.343 1.00 10.00 H new ATOM 0 HH2 TRP A 71 8.382 -2.415 -3.802 1.00 10.00 H new ATOM 825 N ALA A 72 1.617 -1.537 2.555 1.00 10.00 N ATOM 826 CA ALA A 72 1.381 -1.766 3.967 1.00 10.00 C ATOM 827 C ALA A 72 -0.102 -1.955 4.265 1.00 10.00 C ATOM 828 O ALA A 72 -0.487 -2.934 4.894 1.00 10.00 O ATOM 829 CB ALA A 72 1.938 -0.617 4.790 1.00 10.00 C ATOM 0 H ALA A 72 1.936 -0.594 2.331 1.00 10.00 H new ATOM 0 HA ALA A 72 1.897 -2.686 4.242 1.00 10.00 H new ATOM 0 HB1 ALA A 72 1.753 -0.804 5.848 1.00 10.00 H new ATOM 0 HB2 ALA A 72 3.011 -0.533 4.619 1.00 10.00 H new ATOM 0 HB3 ALA A 72 1.450 0.312 4.495 1.00 10.00 H new ATOM 835 N ALA A 73 -0.929 -1.024 3.806 1.00 10.00 N ATOM 836 CA ALA A 73 -2.370 -1.083 4.044 1.00 10.00 C ATOM 837 C ALA A 73 -2.971 -2.406 3.589 1.00 10.00 C ATOM 838 O ALA A 73 -3.742 -3.030 4.322 1.00 10.00 O ATOM 839 CB ALA A 73 -3.069 0.071 3.349 1.00 10.00 C ATOM 0 H ALA A 73 -0.627 -0.214 3.264 1.00 10.00 H new ATOM 0 HA ALA A 73 -2.523 -1.003 5.120 1.00 10.00 H new ATOM 0 HB1 ALA A 73 -4.141 0.013 3.536 1.00 10.00 H new ATOM 0 HB2 ALA A 73 -2.684 1.015 3.735 1.00 10.00 H new ATOM 0 HB3 ALA A 73 -2.884 0.015 2.276 1.00 10.00 H new ATOM 845 N ASP A 74 -2.606 -2.842 2.391 1.00 10.00 N ATOM 846 CA ASP A 74 -3.125 -4.089 1.835 1.00 10.00 C ATOM 847 C ASP A 74 -2.761 -5.285 2.706 1.00 10.00 C ATOM 848 O ASP A 74 -3.583 -6.170 2.941 1.00 10.00 O ATOM 849 CB ASP A 74 -2.592 -4.315 0.422 1.00 10.00 C ATOM 850 CG ASP A 74 -3.331 -5.426 -0.296 1.00 10.00 C ATOM 851 OD1 ASP A 74 -3.002 -6.611 -0.075 1.00 10.00 O ATOM 852 OD2 ASP A 74 -4.255 -5.117 -1.079 1.00 10.00 O ATOM 0 H ASP A 74 -1.951 -2.351 1.783 1.00 10.00 H new ATOM 0 HA ASP A 74 -4.211 -3.998 1.804 1.00 10.00 H new ATOM 0 HB2 ASP A 74 -2.682 -3.392 -0.151 1.00 10.00 H new ATOM 0 HB3 ASP A 74 -1.531 -4.558 0.470 1.00 10.00 H new ATOM 857 N SER A 75 -1.543 -5.284 3.217 1.00 10.00 N ATOM 858 CA SER A 75 -1.058 -6.385 4.033 1.00 10.00 C ATOM 859 C SER A 75 -1.287 -6.135 5.518 1.00 10.00 C ATOM 860 O SER A 75 -0.792 -6.883 6.357 1.00 10.00 O ATOM 861 CB SER A 75 0.428 -6.602 3.761 1.00 10.00 C ATOM 862 OG SER A 75 0.722 -6.388 2.390 1.00 10.00 O ATOM 0 H SER A 75 -0.869 -4.531 3.081 1.00 10.00 H new ATOM 0 HA SER A 75 -1.620 -7.279 3.763 1.00 10.00 H new ATOM 0 HB2 SER A 75 1.019 -5.922 4.375 1.00 10.00 H new ATOM 0 HB3 SER A 75 0.711 -7.616 4.045 1.00 10.00 H new ATOM 0 HG SER A 75 0.830 -5.428 2.224 1.00 10.00 H new ATOM 868 N ASN A 76 -2.050 -5.089 5.830 1.00 10.00 N ATOM 869 CA ASN A 76 -2.343 -4.730 7.219 1.00 10.00 C ATOM 870 C ASN A 76 -1.050 -4.520 7.999 1.00 10.00 C ATOM 871 O ASN A 76 -0.865 -5.054 9.093 1.00 10.00 O ATOM 872 CB ASN A 76 -3.201 -5.805 7.894 1.00 10.00 C ATOM 873 CG ASN A 76 -4.647 -5.378 8.068 1.00 10.00 C ATOM 874 OD1 ASN A 76 -5.141 -4.502 7.358 1.00 10.00 O ATOM 875 ND2 ASN A 76 -5.339 -5.999 9.009 1.00 10.00 N ATOM 0 H ASN A 76 -2.478 -4.473 5.139 1.00 10.00 H new ATOM 0 HA ASN A 76 -2.906 -3.797 7.215 1.00 10.00 H new ATOM 0 HB2 ASN A 76 -3.165 -6.718 7.300 1.00 10.00 H new ATOM 0 HB3 ASN A 76 -2.777 -6.043 8.870 1.00 10.00 H new ATOM 0 HD21 ASN A 76 -6.317 -5.757 9.166 1.00 10.00 H new ATOM 0 HD22 ASN A 76 -4.894 -6.720 9.577 1.00 10.00 H new ATOM 882 N MET A 77 -0.157 -3.745 7.405 1.00 10.00 N ATOM 883 CA MET A 77 1.134 -3.431 7.998 1.00 10.00 C ATOM 884 C MET A 77 1.226 -1.937 8.277 1.00 10.00 C ATOM 885 O MET A 77 0.337 -1.168 7.894 1.00 10.00 O ATOM 886 CB MET A 77 2.266 -3.850 7.052 1.00 10.00 C ATOM 887 CG MET A 77 2.501 -5.350 6.993 1.00 10.00 C ATOM 888 SD MET A 77 3.598 -5.836 5.641 1.00 10.00 S ATOM 889 CE MET A 77 5.090 -4.926 6.048 1.00 10.00 C ATOM 0 H MET A 77 -0.308 -3.314 6.493 1.00 10.00 H new ATOM 0 HA MET A 77 1.233 -3.979 8.935 1.00 10.00 H new ATOM 0 HB2 MET A 77 2.039 -3.489 6.049 1.00 10.00 H new ATOM 0 HB3 MET A 77 3.188 -3.361 7.366 1.00 10.00 H new ATOM 0 HG2 MET A 77 2.928 -5.683 7.939 1.00 10.00 H new ATOM 0 HG3 MET A 77 1.544 -5.859 6.879 1.00 10.00 H new ATOM 0 HE1 MET A 77 5.276 -4.172 5.284 1.00 10.00 H new ATOM 0 HE2 MET A 77 4.967 -4.440 7.016 1.00 10.00 H new ATOM 0 HE3 MET A 77 5.935 -5.613 6.092 1.00 10.00 H new ATOM 899 N GLN A 78 2.296 -1.526 8.939 1.00 10.00 N ATOM 900 CA GLN A 78 2.503 -0.123 9.257 1.00 10.00 C ATOM 901 C GLN A 78 3.634 0.447 8.412 1.00 10.00 C ATOM 902 O GLN A 78 4.450 -0.301 7.872 1.00 10.00 O ATOM 903 CB GLN A 78 2.812 0.053 10.747 1.00 10.00 C ATOM 904 CG GLN A 78 1.646 -0.298 11.656 1.00 10.00 C ATOM 905 CD GLN A 78 0.384 0.464 11.301 1.00 10.00 C ATOM 906 OE1 GLN A 78 0.439 1.595 10.818 1.00 10.00 O ATOM 907 NE2 GLN A 78 -0.763 -0.149 11.535 1.00 10.00 N ATOM 0 H GLN A 78 3.036 -2.146 9.267 1.00 10.00 H new ATOM 0 HA GLN A 78 1.586 0.421 9.030 1.00 10.00 H new ATOM 0 HB2 GLN A 78 3.666 -0.571 11.008 1.00 10.00 H new ATOM 0 HB3 GLN A 78 3.105 1.087 10.929 1.00 10.00 H new ATOM 0 HG2 GLN A 78 1.450 -1.368 11.594 1.00 10.00 H new ATOM 0 HG3 GLN A 78 1.918 -0.083 12.690 1.00 10.00 H new ATOM 0 HE21 GLN A 78 -0.768 -1.087 11.936 1.00 10.00 H new ATOM 0 HE22 GLN A 78 -1.644 0.315 11.314 1.00 10.00 H new ATOM 916 N LEU A 79 3.681 1.764 8.296 1.00 10.00 N ATOM 917 CA LEU A 79 4.708 2.427 7.509 1.00 10.00 C ATOM 918 C LEU A 79 5.302 3.595 8.274 1.00 10.00 C ATOM 919 O LEU A 79 4.610 4.292 9.014 1.00 10.00 O ATOM 920 CB LEU A 79 4.126 2.910 6.174 1.00 10.00 C ATOM 921 CG LEU A 79 5.025 3.844 5.357 1.00 10.00 C ATOM 922 CD1 LEU A 79 6.163 3.067 4.718 1.00 10.00 C ATOM 923 CD2 LEU A 79 4.215 4.575 4.298 1.00 10.00 C ATOM 0 H LEU A 79 3.016 2.398 8.739 1.00 10.00 H new ATOM 0 HA LEU A 79 5.502 1.708 7.308 1.00 10.00 H new ATOM 0 HB2 LEU A 79 3.890 2.038 5.565 1.00 10.00 H new ATOM 0 HB3 LEU A 79 3.185 3.423 6.373 1.00 10.00 H new ATOM 0 HG LEU A 79 5.453 4.585 6.032 1.00 10.00 H new ATOM 0 HD11 LEU A 79 6.790 3.748 4.142 1.00 10.00 H new ATOM 0 HD12 LEU A 79 6.761 2.593 5.496 1.00 10.00 H new ATOM 0 HD13 LEU A 79 5.755 2.302 4.057 1.00 10.00 H new ATOM 0 HD21 LEU A 79 4.871 5.233 3.728 1.00 10.00 H new ATOM 0 HD22 LEU A 79 3.756 3.850 3.626 1.00 10.00 H new ATOM 0 HD23 LEU A 79 3.436 5.167 4.780 1.00 10.00 H new ATOM 935 N SER A 80 6.593 3.774 8.102 1.00 10.00 N ATOM 936 CA SER A 80 7.316 4.846 8.737 1.00 10.00 C ATOM 937 C SER A 80 8.108 5.622 7.687 1.00 10.00 C ATOM 938 O SER A 80 9.213 5.230 7.306 1.00 10.00 O ATOM 939 CB SER A 80 8.244 4.265 9.801 1.00 10.00 C ATOM 940 OG SER A 80 7.513 3.829 10.935 1.00 10.00 O ATOM 0 H SER A 80 7.171 3.175 7.513 1.00 10.00 H new ATOM 0 HA SER A 80 6.620 5.533 9.218 1.00 10.00 H new ATOM 0 HB2 SER A 80 8.804 3.429 9.382 1.00 10.00 H new ATOM 0 HB3 SER A 80 8.973 5.017 10.102 1.00 10.00 H new ATOM 0 HG SER A 80 8.134 3.504 11.620 1.00 10.00 H new ATOM 946 N TYR A 81 7.525 6.713 7.216 1.00 10.00 N ATOM 947 CA TYR A 81 8.155 7.552 6.208 1.00 10.00 C ATOM 948 C TYR A 81 8.934 8.668 6.892 1.00 10.00 C ATOM 949 O TYR A 81 8.364 9.678 7.294 1.00 10.00 O ATOM 950 CB TYR A 81 7.082 8.133 5.278 1.00 10.00 C ATOM 951 CG TYR A 81 7.586 8.573 3.918 1.00 10.00 C ATOM 952 CD1 TYR A 81 7.892 7.643 2.932 1.00 10.00 C ATOM 953 CD2 TYR A 81 7.724 9.920 3.614 1.00 10.00 C ATOM 954 CE1 TYR A 81 8.332 8.046 1.684 1.00 10.00 C ATOM 955 CE2 TYR A 81 8.156 10.330 2.370 1.00 10.00 C ATOM 956 CZ TYR A 81 8.458 9.391 1.408 1.00 10.00 C ATOM 957 OH TYR A 81 8.885 9.799 0.166 1.00 10.00 O ATOM 0 H TYR A 81 6.608 7.041 7.519 1.00 10.00 H new ATOM 0 HA TYR A 81 8.846 6.957 5.612 1.00 10.00 H new ATOM 0 HB2 TYR A 81 6.302 7.385 5.136 1.00 10.00 H new ATOM 0 HB3 TYR A 81 6.618 8.987 5.771 1.00 10.00 H new ATOM 0 HD1 TYR A 81 7.785 6.589 3.143 1.00 10.00 H new ATOM 0 HD2 TYR A 81 7.489 10.660 4.365 1.00 10.00 H new ATOM 0 HE1 TYR A 81 8.575 7.312 0.930 1.00 10.00 H new ATOM 0 HE2 TYR A 81 8.257 11.383 2.151 1.00 10.00 H new ATOM 0 HH TYR A 81 9.406 10.624 0.254 1.00 10.00 H new ATOM 967 N ASN A 82 10.239 8.479 7.036 1.00 10.00 N ATOM 968 CA ASN A 82 11.086 9.470 7.695 1.00 10.00 C ATOM 969 C ASN A 82 11.800 10.343 6.679 1.00 10.00 C ATOM 970 O ASN A 82 12.839 10.940 6.971 1.00 10.00 O ATOM 971 CB ASN A 82 12.111 8.786 8.604 1.00 10.00 C ATOM 972 CG ASN A 82 11.463 7.947 9.687 1.00 10.00 C ATOM 973 OD1 ASN A 82 11.061 8.459 10.728 1.00 10.00 O ATOM 974 ND2 ASN A 82 11.360 6.648 9.451 1.00 10.00 N ATOM 0 H ASN A 82 10.735 7.651 6.707 1.00 10.00 H new ATOM 0 HA ASN A 82 10.440 10.104 8.302 1.00 10.00 H new ATOM 0 HB2 ASN A 82 12.761 8.153 8.000 1.00 10.00 H new ATOM 0 HB3 ASN A 82 12.743 9.544 9.066 1.00 10.00 H new ATOM 0 HD21 ASN A 82 10.935 6.035 10.147 1.00 10.00 H new ATOM 0 HD22 ASN A 82 11.706 6.260 8.573 1.00 10.00 H new ATOM 981 N LEU A 83 11.251 10.411 5.479 1.00 10.00 N ATOM 982 CA LEU A 83 11.835 11.225 4.430 1.00 10.00 C ATOM 983 C LEU A 83 11.285 12.641 4.518 1.00 10.00 C ATOM 984 O LEU A 83 10.117 12.837 4.864 1.00 10.00 O ATOM 985 CB LEU A 83 11.555 10.620 3.051 1.00 10.00 C ATOM 986 CG LEU A 83 12.062 9.186 2.853 1.00 10.00 C ATOM 987 CD1 LEU A 83 11.889 8.748 1.409 1.00 10.00 C ATOM 988 CD2 LEU A 83 13.521 9.068 3.263 1.00 10.00 C ATOM 0 H LEU A 83 10.403 9.913 5.208 1.00 10.00 H new ATOM 0 HA LEU A 83 12.916 11.254 4.566 1.00 10.00 H new ATOM 0 HB2 LEU A 83 10.479 10.635 2.877 1.00 10.00 H new ATOM 0 HB3 LEU A 83 12.010 11.257 2.293 1.00 10.00 H new ATOM 0 HG LEU A 83 11.468 8.530 3.489 1.00 10.00 H new ATOM 0 HD11 LEU A 83 12.255 7.728 1.292 1.00 10.00 H new ATOM 0 HD12 LEU A 83 10.833 8.788 1.141 1.00 10.00 H new ATOM 0 HD13 LEU A 83 12.454 9.414 0.757 1.00 10.00 H new ATOM 0 HD21 LEU A 83 13.859 8.042 3.114 1.00 10.00 H new ATOM 0 HD22 LEU A 83 14.125 9.741 2.655 1.00 10.00 H new ATOM 0 HD23 LEU A 83 13.626 9.336 4.314 1.00 10.00 H new ATOM 1000 N PRO A 84 12.123 13.646 4.232 1.00 10.00 N ATOM 1001 CA PRO A 84 11.718 15.053 4.289 1.00 10.00 C ATOM 1002 C PRO A 84 10.596 15.388 3.309 1.00 10.00 C ATOM 1003 O PRO A 84 9.782 16.272 3.566 1.00 10.00 O ATOM 1004 CB PRO A 84 12.995 15.817 3.924 1.00 10.00 C ATOM 1005 CG PRO A 84 13.858 14.823 3.228 1.00 10.00 C ATOM 1006 CD PRO A 84 13.536 13.495 3.846 1.00 10.00 C ATOM 0 HA PRO A 84 11.318 15.311 5.269 1.00 10.00 H new ATOM 0 HB2 PRO A 84 12.774 16.667 3.279 1.00 10.00 H new ATOM 0 HB3 PRO A 84 13.486 16.211 4.814 1.00 10.00 H new ATOM 0 HG2 PRO A 84 13.658 14.814 2.157 1.00 10.00 H new ATOM 0 HG3 PRO A 84 14.913 15.066 3.353 1.00 10.00 H new ATOM 0 HD2 PRO A 84 13.677 12.676 3.140 1.00 10.00 H new ATOM 0 HD3 PRO A 84 14.170 13.286 4.708 1.00 10.00 H new ATOM 1014 N SER A 85 10.561 14.688 2.186 1.00 10.00 N ATOM 1015 CA SER A 85 9.538 14.915 1.176 1.00 10.00 C ATOM 1016 C SER A 85 9.209 13.616 0.444 1.00 10.00 C ATOM 1017 O SER A 85 9.918 12.617 0.590 1.00 10.00 O ATOM 1018 CB SER A 85 10.014 15.972 0.173 1.00 10.00 C ATOM 1019 OG SER A 85 10.557 17.105 0.837 1.00 10.00 O ATOM 0 H SER A 85 11.231 13.956 1.950 1.00 10.00 H new ATOM 0 HA SER A 85 8.636 15.273 1.673 1.00 10.00 H new ATOM 0 HB2 SER A 85 10.766 15.539 -0.486 1.00 10.00 H new ATOM 0 HB3 SER A 85 9.179 16.282 -0.456 1.00 10.00 H new ATOM 0 HG SER A 85 10.854 17.762 0.173 1.00 10.00 H new ATOM 1025 N ASP A 86 8.126 13.623 -0.321 1.00 10.00 N ATOM 1026 CA ASP A 86 7.731 12.453 -1.090 1.00 10.00 C ATOM 1027 C ASP A 86 8.505 12.429 -2.398 1.00 10.00 C ATOM 1028 O ASP A 86 8.829 13.480 -2.950 1.00 10.00 O ATOM 1029 CB ASP A 86 6.222 12.448 -1.369 1.00 10.00 C ATOM 1030 CG ASP A 86 5.794 13.517 -2.357 1.00 10.00 C ATOM 1031 OD1 ASP A 86 5.480 14.643 -1.917 1.00 10.00 O ATOM 1032 OD2 ASP A 86 5.759 13.236 -3.575 1.00 10.00 O ATOM 0 H ASP A 86 7.506 14.426 -0.425 1.00 10.00 H new ATOM 0 HA ASP A 86 7.961 11.561 -0.507 1.00 10.00 H new ATOM 0 HB2 ASP A 86 5.933 11.470 -1.754 1.00 10.00 H new ATOM 0 HB3 ASP A 86 5.685 12.593 -0.432 1.00 10.00 H new ATOM 1037 N TYR A 87 8.827 11.239 -2.875 1.00 10.00 N ATOM 1038 CA TYR A 87 9.573 11.103 -4.117 1.00 10.00 C ATOM 1039 C TYR A 87 8.871 10.128 -5.048 1.00 10.00 C ATOM 1040 O TYR A 87 8.198 9.200 -4.595 1.00 10.00 O ATOM 1041 CB TYR A 87 11.006 10.635 -3.835 1.00 10.00 C ATOM 1042 CG TYR A 87 11.719 11.472 -2.795 1.00 10.00 C ATOM 1043 CD1 TYR A 87 12.014 12.812 -3.028 1.00 10.00 C ATOM 1044 CD2 TYR A 87 12.090 10.923 -1.576 1.00 10.00 C ATOM 1045 CE1 TYR A 87 12.651 13.578 -2.070 1.00 10.00 C ATOM 1046 CE2 TYR A 87 12.730 11.682 -0.617 1.00 10.00 C ATOM 1047 CZ TYR A 87 13.008 13.006 -0.868 1.00 10.00 C ATOM 1048 OH TYR A 87 13.637 13.763 0.092 1.00 10.00 O ATOM 0 H TYR A 87 8.586 10.356 -2.425 1.00 10.00 H new ATOM 0 HA TYR A 87 9.619 12.078 -4.602 1.00 10.00 H new ATOM 0 HB2 TYR A 87 10.982 9.598 -3.501 1.00 10.00 H new ATOM 0 HB3 TYR A 87 11.577 10.658 -4.763 1.00 10.00 H new ATOM 0 HD1 TYR A 87 11.741 13.260 -3.972 1.00 10.00 H new ATOM 0 HD2 TYR A 87 11.874 9.884 -1.374 1.00 10.00 H new ATOM 0 HE1 TYR A 87 12.868 14.618 -2.262 1.00 10.00 H new ATOM 0 HE2 TYR A 87 13.011 11.238 0.327 1.00 10.00 H new ATOM 0 HH TYR A 87 13.349 14.696 0.013 1.00 10.00 H new ATOM 1058 N THR A 88 9.021 10.348 -6.340 1.00 10.00 N ATOM 1059 CA THR A 88 8.401 9.496 -7.336 1.00 10.00 C ATOM 1060 C THR A 88 9.313 8.324 -7.690 1.00 10.00 C ATOM 1061 O THR A 88 10.477 8.288 -7.282 1.00 10.00 O ATOM 1062 CB THR A 88 8.073 10.305 -8.603 1.00 10.00 C ATOM 1063 OG1 THR A 88 9.036 11.357 -8.771 1.00 10.00 O ATOM 1064 CG2 THR A 88 6.678 10.904 -8.513 1.00 10.00 C ATOM 0 H THR A 88 9.571 11.115 -6.726 1.00 10.00 H new ATOM 0 HA THR A 88 7.476 9.102 -6.916 1.00 10.00 H new ATOM 0 HB THR A 88 8.111 9.633 -9.460 1.00 10.00 H new ATOM 0 HG1 THR A 88 8.824 11.868 -9.580 1.00 10.00 H new ATOM 0 HG21 THR A 88 6.467 11.472 -9.419 1.00 10.00 H new ATOM 0 HG22 THR A 88 5.945 10.104 -8.407 1.00 10.00 H new ATOM 0 HG23 THR A 88 6.621 11.566 -7.649 1.00 10.00 H new ATOM 1072 N LEU A 89 8.785 7.359 -8.433 1.00 10.00 N ATOM 1073 CA LEU A 89 9.568 6.197 -8.827 1.00 10.00 C ATOM 1074 C LEU A 89 10.558 6.587 -9.918 1.00 10.00 C ATOM 1075 O LEU A 89 10.262 7.432 -10.762 1.00 10.00 O ATOM 1076 CB LEU A 89 8.663 5.060 -9.322 1.00 10.00 C ATOM 1077 CG LEU A 89 7.680 4.470 -8.295 1.00 10.00 C ATOM 1078 CD1 LEU A 89 8.246 4.517 -6.884 1.00 10.00 C ATOM 1079 CD2 LEU A 89 6.338 5.180 -8.362 1.00 10.00 C ATOM 0 H LEU A 89 7.823 7.358 -8.773 1.00 10.00 H new ATOM 0 HA LEU A 89 10.112 5.840 -7.953 1.00 10.00 H new ATOM 0 HB2 LEU A 89 8.089 5.427 -10.173 1.00 10.00 H new ATOM 0 HB3 LEU A 89 9.298 4.254 -9.689 1.00 10.00 H new ATOM 0 HG LEU A 89 7.528 3.422 -8.552 1.00 10.00 H new ATOM 0 HD11 LEU A 89 7.523 4.092 -6.188 1.00 10.00 H new ATOM 0 HD12 LEU A 89 9.171 3.941 -6.844 1.00 10.00 H new ATOM 0 HD13 LEU A 89 8.450 5.552 -6.608 1.00 10.00 H new ATOM 0 HD21 LEU A 89 5.660 4.746 -7.627 1.00 10.00 H new ATOM 0 HD22 LEU A 89 6.476 6.240 -8.147 1.00 10.00 H new ATOM 0 HD23 LEU A 89 5.915 5.064 -9.360 1.00 10.00 H new ATOM 1091 N ILE A 90 11.737 5.985 -9.884 1.00 10.00 N ATOM 1092 CA ILE A 90 12.771 6.281 -10.866 1.00 10.00 C ATOM 1093 C ILE A 90 12.578 5.476 -12.150 1.00 10.00 C ATOM 1094 O ILE A 90 12.840 5.969 -13.247 1.00 10.00 O ATOM 1095 CB ILE A 90 14.181 6.012 -10.303 1.00 10.00 C ATOM 1096 CG1 ILE A 90 14.206 4.705 -9.503 1.00 10.00 C ATOM 1097 CG2 ILE A 90 14.633 7.179 -9.437 1.00 10.00 C ATOM 1098 CD1 ILE A 90 15.589 4.281 -9.075 1.00 10.00 C ATOM 0 H ILE A 90 12.002 5.289 -9.188 1.00 10.00 H new ATOM 0 HA ILE A 90 12.679 7.342 -11.099 1.00 10.00 H new ATOM 0 HB ILE A 90 14.873 5.910 -11.139 1.00 10.00 H new ATOM 0 HG12 ILE A 90 13.581 4.820 -8.618 1.00 10.00 H new ATOM 0 HG13 ILE A 90 13.763 3.912 -10.106 1.00 10.00 H new ATOM 0 HG21 ILE A 90 15.630 6.977 -9.045 1.00 10.00 H new ATOM 0 HG22 ILE A 90 14.656 8.089 -10.036 1.00 10.00 H new ATOM 0 HG23 ILE A 90 13.937 7.308 -8.608 1.00 10.00 H new ATOM 0 HD11 ILE A 90 15.526 3.349 -8.514 1.00 10.00 H new ATOM 0 HD12 ILE A 90 16.213 4.133 -9.956 1.00 10.00 H new ATOM 0 HD13 ILE A 90 16.028 5.055 -8.445 1.00 10.00 H new ATOM 1110 N GLY A 91 12.120 4.241 -12.014 1.00 10.00 N ATOM 1111 CA GLY A 91 11.913 3.403 -13.183 1.00 10.00 C ATOM 1112 C GLY A 91 11.978 1.920 -12.872 1.00 10.00 C ATOM 1113 O GLY A 91 10.960 1.231 -12.943 1.00 10.00 O ATOM 0 H GLY A 91 11.888 3.803 -11.122 1.00 10.00 H new ATOM 0 HA2 GLY A 91 10.942 3.634 -13.621 1.00 10.00 H new ATOM 0 HA3 GLY A 91 12.666 3.644 -13.933 1.00 10.00 H new ATOM 1117 N PRO A 92 13.167 1.398 -12.508 1.00 10.00 N ATOM 1118 CA PRO A 92 13.363 -0.029 -12.184 1.00 10.00 C ATOM 1119 C PRO A 92 12.482 -0.519 -11.034 1.00 10.00 C ATOM 1120 O PRO A 92 12.367 -1.719 -10.797 1.00 10.00 O ATOM 1121 CB PRO A 92 14.845 -0.117 -11.785 1.00 10.00 C ATOM 1122 CG PRO A 92 15.258 1.287 -11.501 1.00 10.00 C ATOM 1123 CD PRO A 92 14.431 2.146 -12.413 1.00 10.00 C ATOM 0 HA PRO A 92 13.090 -0.659 -13.031 1.00 10.00 H new ATOM 0 HB2 PRO A 92 14.980 -0.752 -10.909 1.00 10.00 H new ATOM 0 HB3 PRO A 92 15.444 -0.549 -12.587 1.00 10.00 H new ATOM 0 HG2 PRO A 92 15.082 1.543 -10.456 1.00 10.00 H new ATOM 0 HG3 PRO A 92 16.322 1.428 -11.689 1.00 10.00 H new ATOM 0 HD2 PRO A 92 14.280 3.144 -12.002 1.00 10.00 H new ATOM 0 HD3 PRO A 92 14.902 2.271 -13.388 1.00 10.00 H new ATOM 1131 N VAL A 93 11.861 0.412 -10.324 1.00 10.00 N ATOM 1132 CA VAL A 93 10.989 0.074 -9.206 1.00 10.00 C ATOM 1133 C VAL A 93 9.784 -0.722 -9.695 1.00 10.00 C ATOM 1134 O VAL A 93 9.360 -1.684 -9.059 1.00 10.00 O ATOM 1135 CB VAL A 93 10.495 1.334 -8.467 1.00 10.00 C ATOM 1136 CG1 VAL A 93 9.989 0.982 -7.077 1.00 10.00 C ATOM 1137 CG2 VAL A 93 11.596 2.380 -8.390 1.00 10.00 C ATOM 0 H VAL A 93 11.945 1.413 -10.503 1.00 10.00 H new ATOM 0 HA VAL A 93 11.574 -0.528 -8.511 1.00 10.00 H new ATOM 0 HB VAL A 93 9.664 1.755 -9.034 1.00 10.00 H new ATOM 0 HG11 VAL A 93 9.646 1.887 -6.575 1.00 10.00 H new ATOM 0 HG12 VAL A 93 9.162 0.276 -7.159 1.00 10.00 H new ATOM 0 HG13 VAL A 93 10.796 0.530 -6.500 1.00 10.00 H new ATOM 0 HG21 VAL A 93 11.225 3.260 -7.865 1.00 10.00 H new ATOM 0 HG22 VAL A 93 12.451 1.970 -7.852 1.00 10.00 H new ATOM 0 HG23 VAL A 93 11.902 2.661 -9.398 1.00 10.00 H new ATOM 1147 N SER A 94 9.256 -0.332 -10.849 1.00 10.00 N ATOM 1148 CA SER A 94 8.104 -1.004 -11.437 1.00 10.00 C ATOM 1149 C SER A 94 8.454 -2.413 -11.925 1.00 10.00 C ATOM 1150 O SER A 94 7.574 -3.177 -12.319 1.00 10.00 O ATOM 1151 CB SER A 94 7.560 -0.160 -12.589 1.00 10.00 C ATOM 1152 OG SER A 94 7.675 1.224 -12.294 1.00 10.00 O ATOM 0 H SER A 94 9.610 0.451 -11.399 1.00 10.00 H new ATOM 0 HA SER A 94 7.341 -1.112 -10.667 1.00 10.00 H new ATOM 0 HB2 SER A 94 8.107 -0.389 -13.504 1.00 10.00 H new ATOM 0 HB3 SER A 94 6.515 -0.413 -12.770 1.00 10.00 H new ATOM 0 HG SER A 94 7.323 1.749 -13.043 1.00 10.00 H new ATOM 1158 N ALA A 95 9.737 -2.755 -11.894 1.00 10.00 N ATOM 1159 CA ALA A 95 10.186 -4.072 -12.326 1.00 10.00 C ATOM 1160 C ALA A 95 10.306 -5.015 -11.135 1.00 10.00 C ATOM 1161 O ALA A 95 10.612 -6.198 -11.290 1.00 10.00 O ATOM 1162 CB ALA A 95 11.515 -3.970 -13.058 1.00 10.00 C ATOM 0 H ALA A 95 10.484 -2.138 -11.574 1.00 10.00 H new ATOM 0 HA ALA A 95 9.444 -4.478 -13.013 1.00 10.00 H new ATOM 0 HB1 ALA A 95 11.834 -4.964 -13.373 1.00 10.00 H new ATOM 0 HB2 ALA A 95 11.400 -3.331 -13.934 1.00 10.00 H new ATOM 0 HB3 ALA A 95 12.265 -3.542 -12.393 1.00 10.00 H new ATOM 1168 N ILE A 96 10.059 -4.479 -9.946 1.00 10.00 N ATOM 1169 CA ILE A 96 10.133 -5.250 -8.720 1.00 10.00 C ATOM 1170 C ILE A 96 8.748 -5.747 -8.342 1.00 10.00 C ATOM 1171 O ILE A 96 7.851 -4.957 -8.058 1.00 10.00 O ATOM 1172 CB ILE A 96 10.718 -4.409 -7.567 1.00 10.00 C ATOM 1173 CG1 ILE A 96 12.071 -3.828 -7.982 1.00 10.00 C ATOM 1174 CG2 ILE A 96 10.858 -5.252 -6.305 1.00 10.00 C ATOM 1175 CD1 ILE A 96 12.566 -2.725 -7.077 1.00 10.00 C ATOM 0 H ILE A 96 9.803 -3.501 -9.809 1.00 10.00 H new ATOM 0 HA ILE A 96 10.794 -6.100 -8.891 1.00 10.00 H new ATOM 0 HB ILE A 96 10.036 -3.588 -7.349 1.00 10.00 H new ATOM 0 HG12 ILE A 96 12.810 -4.629 -8.000 1.00 10.00 H new ATOM 0 HG13 ILE A 96 11.994 -3.443 -8.999 1.00 10.00 H new ATOM 0 HG21 ILE A 96 11.272 -4.641 -5.503 1.00 10.00 H new ATOM 0 HG22 ILE A 96 9.879 -5.626 -6.007 1.00 10.00 H new ATOM 0 HG23 ILE A 96 11.523 -6.093 -6.501 1.00 10.00 H new ATOM 0 HD11 ILE A 96 13.530 -2.365 -7.436 1.00 10.00 H new ATOM 0 HD12 ILE A 96 11.849 -1.904 -7.078 1.00 10.00 H new ATOM 0 HD13 ILE A 96 12.677 -3.109 -6.063 1.00 10.00 H new ATOM 1187 N SER A 97 8.566 -7.054 -8.395 1.00 10.00 N ATOM 1188 CA SER A 97 7.293 -7.669 -8.059 1.00 10.00 C ATOM 1189 C SER A 97 7.518 -8.979 -7.313 1.00 10.00 C ATOM 1190 O SER A 97 7.657 -10.038 -7.926 1.00 10.00 O ATOM 1191 CB SER A 97 6.482 -7.919 -9.332 1.00 10.00 C ATOM 1192 OG SER A 97 6.605 -6.833 -10.236 1.00 10.00 O ATOM 0 H SER A 97 9.291 -7.716 -8.670 1.00 10.00 H new ATOM 0 HA SER A 97 6.736 -6.992 -7.411 1.00 10.00 H new ATOM 0 HB2 SER A 97 6.825 -8.836 -9.811 1.00 10.00 H new ATOM 0 HB3 SER A 97 5.433 -8.066 -9.076 1.00 10.00 H new ATOM 0 HG SER A 97 6.079 -7.017 -11.042 1.00 10.00 H new ATOM 1198 N THR A 98 7.563 -8.904 -5.995 1.00 10.00 N ATOM 1199 CA THR A 98 7.775 -10.084 -5.175 1.00 10.00 C ATOM 1200 C THR A 98 6.725 -10.158 -4.074 1.00 10.00 C ATOM 1201 O THR A 98 6.144 -9.145 -3.690 1.00 10.00 O ATOM 1202 CB THR A 98 9.187 -10.090 -4.547 1.00 10.00 C ATOM 1203 OG1 THR A 98 9.416 -11.318 -3.842 1.00 10.00 O ATOM 1204 CG2 THR A 98 9.364 -8.917 -3.598 1.00 10.00 C ATOM 0 H THR A 98 7.455 -8.037 -5.469 1.00 10.00 H new ATOM 0 HA THR A 98 7.685 -10.956 -5.823 1.00 10.00 H new ATOM 0 HB THR A 98 9.913 -9.999 -5.355 1.00 10.00 H new ATOM 0 HG1 THR A 98 10.315 -11.308 -3.451 1.00 10.00 H new ATOM 0 HG21 THR A 98 10.366 -8.944 -3.169 1.00 10.00 H new ATOM 0 HG22 THR A 98 9.228 -7.983 -4.144 1.00 10.00 H new ATOM 0 HG23 THR A 98 8.625 -8.981 -2.799 1.00 10.00 H new ATOM 1212 N THR A 99 6.474 -11.358 -3.582 1.00 10.00 N ATOM 1213 CA THR A 99 5.499 -11.553 -2.527 1.00 10.00 C ATOM 1214 C THR A 99 6.127 -11.338 -1.153 1.00 10.00 C ATOM 1215 O THR A 99 5.429 -11.254 -0.142 1.00 10.00 O ATOM 1216 CB THR A 99 4.891 -12.960 -2.604 1.00 10.00 C ATOM 1217 OG1 THR A 99 5.837 -13.863 -3.200 1.00 10.00 O ATOM 1218 CG2 THR A 99 3.612 -12.949 -3.425 1.00 10.00 C ATOM 0 H THR A 99 6.933 -12.212 -3.897 1.00 10.00 H new ATOM 0 HA THR A 99 4.708 -10.816 -2.668 1.00 10.00 H new ATOM 0 HB THR A 99 4.653 -13.291 -1.593 1.00 10.00 H new ATOM 0 HG1 THR A 99 5.447 -14.761 -3.247 1.00 10.00 H new ATOM 0 HG21 THR A 99 3.198 -13.956 -3.467 1.00 10.00 H new ATOM 0 HG22 THR A 99 2.888 -12.278 -2.962 1.00 10.00 H new ATOM 0 HG23 THR A 99 3.831 -12.605 -4.436 1.00 10.00 H new ATOM 1226 N SER A 100 7.450 -11.240 -1.130 1.00 10.00 N ATOM 1227 CA SER A 100 8.179 -11.026 0.105 1.00 10.00 C ATOM 1228 C SER A 100 8.413 -9.534 0.314 1.00 10.00 C ATOM 1229 O SER A 100 9.144 -8.898 -0.447 1.00 10.00 O ATOM 1230 CB SER A 100 9.514 -11.773 0.063 1.00 10.00 C ATOM 1231 OG SER A 100 10.374 -11.358 1.112 1.00 10.00 O ATOM 0 H SER A 100 8.039 -11.306 -1.960 1.00 10.00 H new ATOM 0 HA SER A 100 7.592 -11.411 0.938 1.00 10.00 H new ATOM 0 HB2 SER A 100 9.335 -12.845 0.140 1.00 10.00 H new ATOM 0 HB3 SER A 100 9.999 -11.599 -0.897 1.00 10.00 H new ATOM 0 HG SER A 100 11.217 -11.854 1.059 1.00 10.00 H new ATOM 1237 N VAL A 101 7.784 -8.977 1.342 1.00 10.00 N ATOM 1238 CA VAL A 101 7.927 -7.561 1.641 1.00 10.00 C ATOM 1239 C VAL A 101 9.366 -7.244 2.048 1.00 10.00 C ATOM 1240 O VAL A 101 9.867 -6.142 1.809 1.00 10.00 O ATOM 1241 CB VAL A 101 6.934 -7.101 2.742 1.00 10.00 C ATOM 1242 CG1 VAL A 101 7.275 -7.709 4.096 1.00 10.00 C ATOM 1243 CG2 VAL A 101 6.889 -5.583 2.824 1.00 10.00 C ATOM 0 H VAL A 101 7.172 -9.485 1.980 1.00 10.00 H new ATOM 0 HA VAL A 101 7.687 -7.007 0.733 1.00 10.00 H new ATOM 0 HB VAL A 101 5.943 -7.460 2.464 1.00 10.00 H new ATOM 0 HG11 VAL A 101 6.558 -7.364 4.841 1.00 10.00 H new ATOM 0 HG12 VAL A 101 7.232 -8.796 4.028 1.00 10.00 H new ATOM 0 HG13 VAL A 101 8.279 -7.403 4.390 1.00 10.00 H new ATOM 0 HG21 VAL A 101 6.187 -5.281 3.602 1.00 10.00 H new ATOM 0 HG22 VAL A 101 7.882 -5.202 3.063 1.00 10.00 H new ATOM 0 HG23 VAL A 101 6.566 -5.176 1.866 1.00 10.00 H new ATOM 1253 N GLN A 102 10.039 -8.233 2.631 1.00 10.00 N ATOM 1254 CA GLN A 102 11.422 -8.069 3.049 1.00 10.00 C ATOM 1255 C GLN A 102 12.324 -7.991 1.827 1.00 10.00 C ATOM 1256 O GLN A 102 13.258 -7.190 1.781 1.00 10.00 O ATOM 1257 CB GLN A 102 11.850 -9.217 3.967 1.00 10.00 C ATOM 1258 CG GLN A 102 11.120 -9.228 5.299 1.00 10.00 C ATOM 1259 CD GLN A 102 11.534 -10.379 6.189 1.00 10.00 C ATOM 1260 OE1 GLN A 102 10.996 -11.477 6.089 1.00 10.00 O ATOM 1261 NE2 GLN A 102 12.484 -10.134 7.077 1.00 10.00 N ATOM 0 H GLN A 102 9.646 -9.155 2.823 1.00 10.00 H new ATOM 0 HA GLN A 102 11.512 -7.140 3.612 1.00 10.00 H new ATOM 0 HB2 GLN A 102 11.675 -10.165 3.457 1.00 10.00 H new ATOM 0 HB3 GLN A 102 12.922 -9.146 4.149 1.00 10.00 H new ATOM 0 HG2 GLN A 102 11.308 -8.288 5.818 1.00 10.00 H new ATOM 0 HG3 GLN A 102 10.046 -9.283 5.119 1.00 10.00 H new ATOM 0 HE21 GLN A 102 12.907 -9.207 7.129 1.00 10.00 H new ATOM 0 HE22 GLN A 102 12.793 -10.872 7.710 1.00 10.00 H new ATOM 1270 N GLN A 103 12.021 -8.811 0.828 1.00 10.00 N ATOM 1271 CA GLN A 103 12.791 -8.828 -0.405 1.00 10.00 C ATOM 1272 C GLN A 103 12.545 -7.547 -1.192 1.00 10.00 C ATOM 1273 O GLN A 103 13.472 -6.965 -1.759 1.00 10.00 O ATOM 1274 CB GLN A 103 12.419 -10.046 -1.249 1.00 10.00 C ATOM 1275 CG GLN A 103 13.114 -10.084 -2.599 1.00 10.00 C ATOM 1276 CD GLN A 103 14.622 -10.184 -2.481 1.00 10.00 C ATOM 1277 OE1 GLN A 103 15.148 -10.735 -1.515 1.00 10.00 O ATOM 1278 NE2 GLN A 103 15.325 -9.651 -3.466 1.00 10.00 N ATOM 0 H GLN A 103 11.246 -9.473 0.850 1.00 10.00 H new ATOM 0 HA GLN A 103 13.850 -8.891 -0.155 1.00 10.00 H new ATOM 0 HB2 GLN A 103 12.668 -10.951 -0.695 1.00 10.00 H new ATOM 0 HB3 GLN A 103 11.340 -10.054 -1.404 1.00 10.00 H new ATOM 0 HG2 GLN A 103 12.742 -10.934 -3.170 1.00 10.00 H new ATOM 0 HG3 GLN A 103 12.857 -9.186 -3.160 1.00 10.00 H new ATOM 0 HE21 GLN A 103 14.848 -9.203 -4.249 1.00 10.00 H new ATOM 0 HE22 GLN A 103 16.344 -9.688 -3.443 1.00 10.00 H new ATOM 1287 N ALA A 104 11.289 -7.113 -1.218 1.00 10.00 N ATOM 1288 CA ALA A 104 10.907 -5.890 -1.919 1.00 10.00 C ATOM 1289 C ALA A 104 11.705 -4.702 -1.394 1.00 10.00 C ATOM 1290 O ALA A 104 12.307 -3.953 -2.167 1.00 10.00 O ATOM 1291 CB ALA A 104 9.413 -5.640 -1.769 1.00 10.00 C ATOM 0 H ALA A 104 10.514 -7.592 -0.759 1.00 10.00 H new ATOM 0 HA ALA A 104 11.133 -6.012 -2.978 1.00 10.00 H new ATOM 0 HB1 ALA A 104 9.142 -4.725 -2.296 1.00 10.00 H new ATOM 0 HB2 ALA A 104 8.860 -6.479 -2.190 1.00 10.00 H new ATOM 0 HB3 ALA A 104 9.166 -5.536 -0.712 1.00 10.00 H new ATOM 1297 N ALA A 105 11.728 -4.551 -0.071 1.00 10.00 N ATOM 1298 CA ALA A 105 12.464 -3.466 0.565 1.00 10.00 C ATOM 1299 C ALA A 105 13.957 -3.605 0.290 1.00 10.00 C ATOM 1300 O ALA A 105 14.678 -2.612 0.191 1.00 10.00 O ATOM 1301 CB ALA A 105 12.195 -3.448 2.064 1.00 10.00 C ATOM 0 H ALA A 105 11.244 -5.169 0.580 1.00 10.00 H new ATOM 0 HA ALA A 105 12.122 -2.521 0.143 1.00 10.00 H new ATOM 0 HB1 ALA A 105 12.752 -2.632 2.524 1.00 10.00 H new ATOM 0 HB2 ALA A 105 11.129 -3.304 2.241 1.00 10.00 H new ATOM 0 HB3 ALA A 105 12.511 -4.395 2.502 1.00 10.00 H new ATOM 1307 N THR A 106 14.405 -4.846 0.144 1.00 10.00 N ATOM 1308 CA THR A 106 15.804 -5.139 -0.131 1.00 10.00 C ATOM 1309 C THR A 106 16.219 -4.579 -1.492 1.00 10.00 C ATOM 1310 O THR A 106 17.209 -3.858 -1.601 1.00 10.00 O ATOM 1311 CB THR A 106 16.060 -6.663 -0.093 1.00 10.00 C ATOM 1312 OG1 THR A 106 15.823 -7.164 1.231 1.00 10.00 O ATOM 1313 CG2 THR A 106 17.479 -7.005 -0.522 1.00 10.00 C ATOM 0 H THR A 106 13.812 -5.673 0.213 1.00 10.00 H new ATOM 0 HA THR A 106 16.404 -4.660 0.643 1.00 10.00 H new ATOM 0 HB THR A 106 15.373 -7.133 -0.796 1.00 10.00 H new ATOM 0 HG1 THR A 106 14.864 -7.328 1.352 1.00 10.00 H new ATOM 0 HG21 THR A 106 17.621 -8.085 -0.482 1.00 10.00 H new ATOM 0 HG22 THR A 106 17.646 -6.654 -1.540 1.00 10.00 H new ATOM 0 HG23 THR A 106 18.189 -6.521 0.149 1.00 10.00 H new ATOM 1321 N GLU A 107 15.441 -4.895 -2.520 1.00 10.00 N ATOM 1322 CA GLU A 107 15.733 -4.426 -3.869 1.00 10.00 C ATOM 1323 C GLU A 107 15.547 -2.919 -3.979 1.00 10.00 C ATOM 1324 O GLU A 107 16.340 -2.233 -4.630 1.00 10.00 O ATOM 1325 CB GLU A 107 14.846 -5.141 -4.885 1.00 10.00 C ATOM 1326 CG GLU A 107 15.247 -6.587 -5.123 1.00 10.00 C ATOM 1327 CD GLU A 107 14.717 -7.138 -6.432 1.00 10.00 C ATOM 1328 OE1 GLU A 107 14.986 -6.532 -7.492 1.00 10.00 O ATOM 1329 OE2 GLU A 107 14.040 -8.188 -6.411 1.00 10.00 O ATOM 0 H GLU A 107 14.604 -5.473 -2.446 1.00 10.00 H new ATOM 0 HA GLU A 107 16.776 -4.657 -4.086 1.00 10.00 H new ATOM 0 HB2 GLU A 107 13.813 -5.110 -4.539 1.00 10.00 H new ATOM 0 HB3 GLU A 107 14.882 -4.601 -5.831 1.00 10.00 H new ATOM 0 HG2 GLU A 107 16.334 -6.663 -5.116 1.00 10.00 H new ATOM 0 HG3 GLU A 107 14.879 -7.201 -4.301 1.00 10.00 H new ATOM 1336 N LEU A 108 14.506 -2.408 -3.332 1.00 10.00 N ATOM 1337 CA LEU A 108 14.214 -0.980 -3.350 1.00 10.00 C ATOM 1338 C LEU A 108 15.361 -0.177 -2.747 1.00 10.00 C ATOM 1339 O LEU A 108 15.848 0.767 -3.359 1.00 10.00 O ATOM 1340 CB LEU A 108 12.930 -0.688 -2.575 1.00 10.00 C ATOM 1341 CG LEU A 108 11.708 -0.332 -3.421 1.00 10.00 C ATOM 1342 CD1 LEU A 108 11.110 -1.576 -4.058 1.00 10.00 C ATOM 1343 CD2 LEU A 108 10.677 0.374 -2.564 1.00 10.00 C ATOM 0 H LEU A 108 13.848 -2.964 -2.786 1.00 10.00 H new ATOM 0 HA LEU A 108 14.086 -0.682 -4.391 1.00 10.00 H new ATOM 0 HB2 LEU A 108 12.687 -1.561 -1.969 1.00 10.00 H new ATOM 0 HB3 LEU A 108 13.123 0.134 -1.886 1.00 10.00 H new ATOM 0 HG LEU A 108 12.022 0.338 -4.222 1.00 10.00 H new ATOM 0 HD11 LEU A 108 10.242 -1.297 -4.655 1.00 10.00 H new ATOM 0 HD12 LEU A 108 11.854 -2.050 -4.698 1.00 10.00 H new ATOM 0 HD13 LEU A 108 10.805 -2.274 -3.278 1.00 10.00 H new ATOM 0 HD21 LEU A 108 9.808 0.625 -3.173 1.00 10.00 H new ATOM 0 HD22 LEU A 108 10.371 -0.281 -1.748 1.00 10.00 H new ATOM 0 HD23 LEU A 108 11.109 1.287 -2.153 1.00 10.00 H new ATOM 1355 N SER A 109 15.805 -0.559 -1.555 1.00 10.00 N ATOM 1356 CA SER A 109 16.888 0.156 -0.890 1.00 10.00 C ATOM 1357 C SER A 109 18.183 0.063 -1.688 1.00 10.00 C ATOM 1358 O SER A 109 18.986 0.996 -1.689 1.00 10.00 O ATOM 1359 CB SER A 109 17.100 -0.382 0.525 1.00 10.00 C ATOM 1360 OG SER A 109 17.160 -1.799 0.535 1.00 10.00 O ATOM 0 H SER A 109 15.435 -1.353 -1.033 1.00 10.00 H new ATOM 0 HA SER A 109 16.602 1.206 -0.827 1.00 10.00 H new ATOM 0 HB2 SER A 109 18.023 0.026 0.937 1.00 10.00 H new ATOM 0 HB3 SER A 109 16.288 -0.046 1.169 1.00 10.00 H new ATOM 0 HG SER A 109 16.263 -2.163 0.684 1.00 10.00 H new ATOM 1366 N ALA A 110 18.368 -1.051 -2.384 1.00 10.00 N ATOM 1367 CA ALA A 110 19.565 -1.262 -3.182 1.00 10.00 C ATOM 1368 C ALA A 110 19.664 -0.237 -4.307 1.00 10.00 C ATOM 1369 O ALA A 110 20.744 0.266 -4.605 1.00 10.00 O ATOM 1370 CB ALA A 110 19.575 -2.670 -3.753 1.00 10.00 C ATOM 0 H ALA A 110 17.702 -1.823 -2.411 1.00 10.00 H new ATOM 0 HA ALA A 110 20.431 -1.136 -2.532 1.00 10.00 H new ATOM 0 HB1 ALA A 110 20.476 -2.815 -4.348 1.00 10.00 H new ATOM 0 HB2 ALA A 110 19.558 -3.393 -2.938 1.00 10.00 H new ATOM 0 HB3 ALA A 110 18.697 -2.813 -4.383 1.00 10.00 H new ATOM 1376 N VAL A 111 18.535 0.057 -4.937 1.00 10.00 N ATOM 1377 CA VAL A 111 18.501 1.011 -6.043 1.00 10.00 C ATOM 1378 C VAL A 111 18.267 2.449 -5.554 1.00 10.00 C ATOM 1379 O VAL A 111 18.627 3.416 -6.231 1.00 10.00 O ATOM 1380 CB VAL A 111 17.431 0.610 -7.092 1.00 10.00 C ATOM 1381 CG1 VAL A 111 16.021 0.706 -6.533 1.00 10.00 C ATOM 1382 CG2 VAL A 111 17.565 1.445 -8.353 1.00 10.00 C ATOM 0 H VAL A 111 17.629 -0.350 -4.703 1.00 10.00 H new ATOM 0 HA VAL A 111 19.481 0.982 -6.520 1.00 10.00 H new ATOM 0 HB VAL A 111 17.610 -0.434 -7.348 1.00 10.00 H new ATOM 0 HG11 VAL A 111 15.304 0.416 -7.302 1.00 10.00 H new ATOM 0 HG12 VAL A 111 15.923 0.040 -5.676 1.00 10.00 H new ATOM 0 HG13 VAL A 111 15.823 1.731 -6.220 1.00 10.00 H new ATOM 0 HG21 VAL A 111 16.803 1.143 -9.072 1.00 10.00 H new ATOM 0 HG22 VAL A 111 17.435 2.499 -8.107 1.00 10.00 H new ATOM 0 HG23 VAL A 111 18.553 1.293 -8.787 1.00 10.00 H new ATOM 1392 N TYR A 112 17.655 2.582 -4.385 1.00 10.00 N ATOM 1393 CA TYR A 112 17.349 3.890 -3.806 1.00 10.00 C ATOM 1394 C TYR A 112 18.519 4.511 -3.049 1.00 10.00 C ATOM 1395 O TYR A 112 18.551 5.724 -2.861 1.00 10.00 O ATOM 1396 CB TYR A 112 16.114 3.804 -2.915 1.00 10.00 C ATOM 1397 CG TYR A 112 14.836 3.993 -3.696 1.00 10.00 C ATOM 1398 CD1 TYR A 112 14.757 3.580 -5.017 1.00 10.00 C ATOM 1399 CD2 TYR A 112 13.723 4.597 -3.133 1.00 10.00 C ATOM 1400 CE1 TYR A 112 13.609 3.755 -5.756 1.00 10.00 C ATOM 1401 CE2 TYR A 112 12.567 4.780 -3.867 1.00 10.00 C ATOM 1402 CZ TYR A 112 12.515 4.357 -5.177 1.00 10.00 C ATOM 1403 OH TYR A 112 11.367 4.549 -5.911 1.00 10.00 O ATOM 0 H TYR A 112 17.357 1.793 -3.811 1.00 10.00 H new ATOM 0 HA TYR A 112 17.145 4.556 -4.645 1.00 10.00 H new ATOM 0 HB2 TYR A 112 16.094 2.835 -2.417 1.00 10.00 H new ATOM 0 HB3 TYR A 112 16.177 4.562 -2.135 1.00 10.00 H new ATOM 0 HD1 TYR A 112 15.615 3.111 -5.476 1.00 10.00 H new ATOM 0 HD2 TYR A 112 13.760 4.929 -2.106 1.00 10.00 H new ATOM 0 HE1 TYR A 112 13.567 3.422 -6.783 1.00 10.00 H new ATOM 0 HE2 TYR A 112 11.707 5.253 -3.416 1.00 10.00 H new ATOM 0 HH TYR A 112 10.691 4.986 -5.352 1.00 10.00 H new ATOM 1413 N ALA A 113 19.441 3.679 -2.572 1.00 10.00 N ATOM 1414 CA ALA A 113 20.607 4.151 -1.816 1.00 10.00 C ATOM 1415 C ALA A 113 21.344 5.290 -2.530 1.00 10.00 C ATOM 1416 O ALA A 113 21.895 6.180 -1.883 1.00 10.00 O ATOM 1417 CB ALA A 113 21.561 2.994 -1.539 1.00 10.00 C ATOM 0 H ALA A 113 19.406 2.667 -2.695 1.00 10.00 H new ATOM 0 HA ALA A 113 20.238 4.550 -0.871 1.00 10.00 H new ATOM 0 HB1 ALA A 113 22.421 3.358 -0.978 1.00 10.00 H new ATOM 0 HB2 ALA A 113 21.046 2.229 -0.958 1.00 10.00 H new ATOM 0 HB3 ALA A 113 21.898 2.567 -2.483 1.00 10.00 H new ATOM 1423 N ALA A 114 21.344 5.273 -3.858 1.00 10.00 N ATOM 1424 CA ALA A 114 22.006 6.319 -4.638 1.00 10.00 C ATOM 1425 C ALA A 114 21.239 7.638 -4.565 1.00 10.00 C ATOM 1426 O ALA A 114 21.786 8.704 -4.848 1.00 10.00 O ATOM 1427 CB ALA A 114 22.168 5.883 -6.087 1.00 10.00 C ATOM 0 H ALA A 114 20.895 4.549 -4.419 1.00 10.00 H new ATOM 0 HA ALA A 114 22.994 6.480 -4.206 1.00 10.00 H new ATOM 0 HB1 ALA A 114 22.662 6.674 -6.652 1.00 10.00 H new ATOM 0 HB2 ALA A 114 22.771 4.976 -6.129 1.00 10.00 H new ATOM 0 HB3 ALA A 114 21.187 5.687 -6.520 1.00 10.00 H new ATOM 1433 N GLN A 115 19.972 7.561 -4.183 1.00 10.00 N ATOM 1434 CA GLN A 115 19.127 8.743 -4.071 1.00 10.00 C ATOM 1435 C GLN A 115 19.067 9.211 -2.622 1.00 10.00 C ATOM 1436 O GLN A 115 18.399 10.192 -2.300 1.00 10.00 O ATOM 1437 CB GLN A 115 17.710 8.452 -4.577 1.00 10.00 C ATOM 1438 CG GLN A 115 17.595 8.328 -6.088 1.00 10.00 C ATOM 1439 CD GLN A 115 18.173 7.033 -6.618 1.00 10.00 C ATOM 1440 OE1 GLN A 115 19.302 6.990 -7.102 1.00 10.00 O ATOM 1441 NE2 GLN A 115 17.400 5.968 -6.520 1.00 10.00 N ATOM 0 H GLN A 115 19.504 6.687 -3.944 1.00 10.00 H new ATOM 0 HA GLN A 115 19.562 9.529 -4.687 1.00 10.00 H new ATOM 0 HB2 GLN A 115 17.357 7.527 -4.121 1.00 10.00 H new ATOM 0 HB3 GLN A 115 17.046 9.247 -4.238 1.00 10.00 H new ATOM 0 HG2 GLN A 115 16.545 8.396 -6.374 1.00 10.00 H new ATOM 0 HG3 GLN A 115 18.108 9.168 -6.557 1.00 10.00 H new ATOM 0 HE21 GLN A 115 16.469 6.049 -6.111 1.00 10.00 H new ATOM 0 HE22 GLN A 115 17.733 5.063 -6.853 1.00 10.00 H new ATOM 1450 N GLY A 116 19.759 8.491 -1.748 1.00 10.00 N ATOM 1451 CA GLY A 116 19.786 8.847 -0.344 1.00 10.00 C ATOM 1452 C GLY A 116 18.607 8.290 0.428 1.00 10.00 C ATOM 1453 O GLY A 116 18.278 8.779 1.506 1.00 10.00 O ATOM 0 H GLY A 116 20.304 7.663 -1.989 1.00 10.00 H new ATOM 0 HA2 GLY A 116 20.711 8.480 0.101 1.00 10.00 H new ATOM 0 HA3 GLY A 116 19.795 9.933 -0.250 1.00 10.00 H new ATOM 1457 N VAL A 117 17.985 7.251 -0.107 1.00 10.00 N ATOM 1458 CA VAL A 117 16.836 6.637 0.538 1.00 10.00 C ATOM 1459 C VAL A 117 17.105 5.165 0.821 1.00 10.00 C ATOM 1460 O VAL A 117 17.523 4.421 -0.062 1.00 10.00 O ATOM 1461 CB VAL A 117 15.564 6.760 -0.333 1.00 10.00 C ATOM 1462 CG1 VAL A 117 14.395 6.019 0.302 1.00 10.00 C ATOM 1463 CG2 VAL A 117 15.201 8.221 -0.562 1.00 10.00 C ATOM 0 H VAL A 117 18.258 6.815 -0.988 1.00 10.00 H new ATOM 0 HA VAL A 117 16.671 7.168 1.476 1.00 10.00 H new ATOM 0 HB VAL A 117 15.778 6.302 -1.299 1.00 10.00 H new ATOM 0 HG11 VAL A 117 13.513 6.121 -0.330 1.00 10.00 H new ATOM 0 HG12 VAL A 117 14.647 4.964 0.406 1.00 10.00 H new ATOM 0 HG13 VAL A 117 14.188 6.441 1.285 1.00 10.00 H new ATOM 0 HG21 VAL A 117 14.303 8.281 -1.177 1.00 10.00 H new ATOM 0 HG22 VAL A 117 15.016 8.705 0.397 1.00 10.00 H new ATOM 0 HG23 VAL A 117 16.023 8.725 -1.070 1.00 10.00 H new ATOM 1473 N SER A 118 16.883 4.751 2.055 1.00 10.00 N ATOM 1474 CA SER A 118 17.090 3.368 2.439 1.00 10.00 C ATOM 1475 C SER A 118 15.842 2.801 3.109 1.00 10.00 C ATOM 1476 O SER A 118 15.543 3.115 4.264 1.00 10.00 O ATOM 1477 CB SER A 118 18.309 3.256 3.354 1.00 10.00 C ATOM 1478 OG SER A 118 19.503 3.255 2.589 1.00 10.00 O ATOM 0 H SER A 118 16.558 5.355 2.810 1.00 10.00 H new ATOM 0 HA SER A 118 17.279 2.778 1.542 1.00 10.00 H new ATOM 0 HB2 SER A 118 18.321 4.088 4.058 1.00 10.00 H new ATOM 0 HB3 SER A 118 18.246 2.341 3.943 1.00 10.00 H new ATOM 0 HG SER A 118 20.232 2.874 3.121 1.00 10.00 H new ATOM 1484 N VAL A 119 15.107 1.982 2.363 1.00 10.00 N ATOM 1485 CA VAL A 119 13.890 1.368 2.873 1.00 10.00 C ATOM 1486 C VAL A 119 14.172 -0.019 3.434 1.00 10.00 C ATOM 1487 O VAL A 119 15.073 -0.723 2.972 1.00 10.00 O ATOM 1488 CB VAL A 119 12.790 1.251 1.795 1.00 10.00 C ATOM 1489 CG1 VAL A 119 12.332 2.620 1.333 1.00 10.00 C ATOM 1490 CG2 VAL A 119 13.271 0.436 0.612 1.00 10.00 C ATOM 0 H VAL A 119 15.335 1.729 1.402 1.00 10.00 H new ATOM 0 HA VAL A 119 13.530 2.025 3.664 1.00 10.00 H new ATOM 0 HB VAL A 119 11.942 0.737 2.247 1.00 10.00 H new ATOM 0 HG11 VAL A 119 11.558 2.508 0.574 1.00 10.00 H new ATOM 0 HG12 VAL A 119 11.931 3.175 2.181 1.00 10.00 H new ATOM 0 HG13 VAL A 119 13.177 3.163 0.911 1.00 10.00 H new ATOM 0 HG21 VAL A 119 12.477 0.370 -0.131 1.00 10.00 H new ATOM 0 HG22 VAL A 119 14.143 0.917 0.169 1.00 10.00 H new ATOM 0 HG23 VAL A 119 13.540 -0.566 0.946 1.00 10.00 H new ATOM 1500 N SER A 120 13.410 -0.390 4.442 1.00 10.00 N ATOM 1501 CA SER A 120 13.537 -1.683 5.087 1.00 10.00 C ATOM 1502 C SER A 120 12.204 -2.050 5.721 1.00 10.00 C ATOM 1503 O SER A 120 11.264 -1.259 5.681 1.00 10.00 O ATOM 1504 CB SER A 120 14.641 -1.637 6.149 1.00 10.00 C ATOM 1505 OG SER A 120 15.856 -1.156 5.592 1.00 10.00 O ATOM 0 H SER A 120 12.680 0.200 4.840 1.00 10.00 H new ATOM 0 HA SER A 120 13.807 -2.438 4.349 1.00 10.00 H new ATOM 0 HB2 SER A 120 14.333 -0.993 6.973 1.00 10.00 H new ATOM 0 HB3 SER A 120 14.795 -2.633 6.564 1.00 10.00 H new ATOM 0 HG SER A 120 16.547 -1.133 6.286 1.00 10.00 H new ATOM 1511 N VAL A 121 12.103 -3.237 6.286 1.00 10.00 N ATOM 1512 CA VAL A 121 10.875 -3.659 6.924 1.00 10.00 C ATOM 1513 C VAL A 121 11.182 -4.471 8.172 1.00 10.00 C ATOM 1514 O VAL A 121 11.949 -5.435 8.141 1.00 10.00 O ATOM 1515 CB VAL A 121 9.981 -4.458 5.950 1.00 10.00 C ATOM 1516 CG1 VAL A 121 10.626 -5.764 5.531 1.00 10.00 C ATOM 1517 CG2 VAL A 121 8.608 -4.710 6.554 1.00 10.00 C ATOM 0 H VAL A 121 12.856 -3.924 6.316 1.00 10.00 H new ATOM 0 HA VAL A 121 10.321 -2.767 7.218 1.00 10.00 H new ATOM 0 HB VAL A 121 9.860 -3.849 5.054 1.00 10.00 H new ATOM 0 HG11 VAL A 121 9.964 -6.294 4.846 1.00 10.00 H new ATOM 0 HG12 VAL A 121 11.574 -5.559 5.033 1.00 10.00 H new ATOM 0 HG13 VAL A 121 10.805 -6.380 6.412 1.00 10.00 H new ATOM 0 HG21 VAL A 121 7.998 -5.274 5.848 1.00 10.00 H new ATOM 0 HG22 VAL A 121 8.716 -5.280 7.477 1.00 10.00 H new ATOM 0 HG23 VAL A 121 8.125 -3.757 6.770 1.00 10.00 H new ATOM 1527 N SER A 122 10.610 -4.041 9.276 1.00 10.00 N ATOM 1528 CA SER A 122 10.800 -4.704 10.547 1.00 10.00 C ATOM 1529 C SER A 122 9.484 -5.320 10.996 1.00 10.00 C ATOM 1530 O SER A 122 8.548 -4.602 11.351 1.00 10.00 O ATOM 1531 CB SER A 122 11.315 -3.700 11.576 1.00 10.00 C ATOM 1532 OG SER A 122 12.687 -3.411 11.363 1.00 10.00 O ATOM 0 H SER A 122 10.001 -3.224 9.317 1.00 10.00 H new ATOM 0 HA SER A 122 11.538 -5.500 10.446 1.00 10.00 H new ATOM 0 HB2 SER A 122 10.733 -2.781 11.515 1.00 10.00 H new ATOM 0 HB3 SER A 122 11.176 -4.100 12.580 1.00 10.00 H new ATOM 0 HG SER A 122 12.993 -2.765 12.033 1.00 10.00 H new ATOM 1538 N ALA A 123 9.416 -6.648 10.936 1.00 10.00 N ATOM 1539 CA ALA A 123 8.226 -7.403 11.315 1.00 10.00 C ATOM 1540 C ALA A 123 7.054 -7.093 10.390 1.00 10.00 C ATOM 1541 O ALA A 123 6.867 -7.759 9.371 1.00 10.00 O ATOM 1542 CB ALA A 123 7.856 -7.155 12.773 1.00 10.00 C ATOM 0 H ALA A 123 10.190 -7.233 10.621 1.00 10.00 H new ATOM 0 HA ALA A 123 8.461 -8.462 11.207 1.00 10.00 H new ATOM 0 HB1 ALA A 123 6.966 -7.731 13.025 1.00 10.00 H new ATOM 0 HB2 ALA A 123 8.681 -7.462 13.415 1.00 10.00 H new ATOM 0 HB3 ALA A 123 7.656 -6.094 12.922 1.00 10.00 H new ATOM 1548 N ASN A 124 6.274 -6.086 10.744 1.00 10.00 N ATOM 1549 CA ASN A 124 5.127 -5.689 9.943 1.00 10.00 C ATOM 1550 C ASN A 124 5.128 -4.187 9.753 1.00 10.00 C ATOM 1551 O ASN A 124 4.089 -3.575 9.509 1.00 10.00 O ATOM 1552 CB ASN A 124 3.818 -6.120 10.607 1.00 10.00 C ATOM 1553 CG ASN A 124 3.366 -7.500 10.175 1.00 10.00 C ATOM 1554 OD1 ASN A 124 3.719 -7.979 9.096 1.00 10.00 O ATOM 1555 ND2 ASN A 124 2.563 -8.143 11.004 1.00 10.00 N ATOM 0 H ASN A 124 6.415 -5.526 11.585 1.00 10.00 H new ATOM 0 HA ASN A 124 5.202 -6.182 8.974 1.00 10.00 H new ATOM 0 HB2 ASN A 124 3.944 -6.106 11.690 1.00 10.00 H new ATOM 0 HB3 ASN A 124 3.039 -5.396 10.367 1.00 10.00 H new ATOM 0 HD21 ASN A 124 2.213 -9.069 10.759 1.00 10.00 H new ATOM 0 HD22 ASN A 124 2.293 -7.713 11.889 1.00 10.00 H new ATOM 1562 N LYS A 125 6.303 -3.592 9.866 1.00 10.00 N ATOM 1563 CA LYS A 125 6.437 -2.155 9.717 1.00 10.00 C ATOM 1564 C LYS A 125 7.477 -1.811 8.667 1.00 10.00 C ATOM 1565 O LYS A 125 8.607 -2.295 8.721 1.00 10.00 O ATOM 1566 CB LYS A 125 6.830 -1.526 11.051 1.00 10.00 C ATOM 1567 CG LYS A 125 6.571 -0.032 11.128 1.00 10.00 C ATOM 1568 CD LYS A 125 7.043 0.537 12.453 1.00 10.00 C ATOM 1569 CE LYS A 125 6.215 1.740 12.876 1.00 10.00 C ATOM 1570 NZ LYS A 125 6.511 2.149 14.273 1.00 10.00 N ATOM 0 H LYS A 125 7.176 -4.082 10.060 1.00 10.00 H new ATOM 0 HA LYS A 125 5.475 -1.757 9.395 1.00 10.00 H new ATOM 0 HB2 LYS A 125 6.280 -2.022 11.851 1.00 10.00 H new ATOM 0 HB3 LYS A 125 7.889 -1.711 11.230 1.00 10.00 H new ATOM 0 HG2 LYS A 125 7.084 0.472 10.309 1.00 10.00 H new ATOM 0 HG3 LYS A 125 5.506 0.162 11.004 1.00 10.00 H new ATOM 0 HD2 LYS A 125 6.984 -0.234 13.222 1.00 10.00 H new ATOM 0 HD3 LYS A 125 8.091 0.827 12.372 1.00 10.00 H new ATOM 0 HE2 LYS A 125 6.415 2.574 12.203 1.00 10.00 H new ATOM 0 HE3 LYS A 125 5.155 1.503 12.783 1.00 10.00 H new ATOM 0 HZ1 LYS A 125 5.927 2.972 14.525 1.00 10.00 H new ATOM 0 HZ2 LYS A 125 6.296 1.362 14.918 1.00 10.00 H new ATOM 0 HZ3 LYS A 125 7.517 2.400 14.356 1.00 10.00 H new ATOM 1584 N LEU A 126 7.094 -0.977 7.719 1.00 10.00 N ATOM 1585 CA LEU A 126 8.001 -0.547 6.673 1.00 10.00 C ATOM 1586 C LEU A 126 8.762 0.672 7.167 1.00 10.00 C ATOM 1587 O LEU A 126 8.159 1.680 7.526 1.00 10.00 O ATOM 1588 CB LEU A 126 7.226 -0.208 5.396 1.00 10.00 C ATOM 1589 CG LEU A 126 6.722 -1.410 4.595 1.00 10.00 C ATOM 1590 CD1 LEU A 126 5.627 -0.984 3.631 1.00 10.00 C ATOM 1591 CD2 LEU A 126 7.865 -2.065 3.837 1.00 10.00 C ATOM 0 H LEU A 126 6.156 -0.582 7.652 1.00 10.00 H new ATOM 0 HA LEU A 126 8.699 -1.351 6.438 1.00 10.00 H new ATOM 0 HB2 LEU A 126 6.371 0.413 5.664 1.00 10.00 H new ATOM 0 HB3 LEU A 126 7.867 0.394 4.751 1.00 10.00 H new ATOM 0 HG LEU A 126 6.308 -2.138 5.293 1.00 10.00 H new ATOM 0 HD11 LEU A 126 5.280 -1.851 3.069 1.00 10.00 H new ATOM 0 HD12 LEU A 126 4.795 -0.557 4.191 1.00 10.00 H new ATOM 0 HD13 LEU A 126 6.020 -0.238 2.941 1.00 10.00 H new ATOM 0 HD21 LEU A 126 7.486 -2.918 3.274 1.00 10.00 H new ATOM 0 HD22 LEU A 126 8.307 -1.343 3.150 1.00 10.00 H new ATOM 0 HD23 LEU A 126 8.623 -2.404 4.543 1.00 10.00 H new ATOM 1603 N LEU A 127 10.076 0.578 7.182 1.00 10.00 N ATOM 1604 CA LEU A 127 10.910 1.660 7.668 1.00 10.00 C ATOM 1605 C LEU A 127 11.616 2.362 6.524 1.00 10.00 C ATOM 1606 O LEU A 127 12.430 1.768 5.817 1.00 10.00 O ATOM 1607 CB LEU A 127 11.945 1.123 8.659 1.00 10.00 C ATOM 1608 CG LEU A 127 11.619 1.323 10.144 1.00 10.00 C ATOM 1609 CD1 LEU A 127 11.573 2.803 10.492 1.00 10.00 C ATOM 1610 CD2 LEU A 127 10.305 0.647 10.504 1.00 10.00 C ATOM 0 H LEU A 127 10.592 -0.241 6.861 1.00 10.00 H new ATOM 0 HA LEU A 127 10.266 2.381 8.171 1.00 10.00 H new ATOM 0 HB2 LEU A 127 12.075 0.056 8.476 1.00 10.00 H new ATOM 0 HB3 LEU A 127 12.902 1.601 8.450 1.00 10.00 H new ATOM 0 HG LEU A 127 12.413 0.859 10.730 1.00 10.00 H new ATOM 0 HD11 LEU A 127 11.340 2.921 11.550 1.00 10.00 H new ATOM 0 HD12 LEU A 127 12.541 3.257 10.281 1.00 10.00 H new ATOM 0 HD13 LEU A 127 10.804 3.294 9.895 1.00 10.00 H new ATOM 0 HD21 LEU A 127 10.094 0.802 11.562 1.00 10.00 H new ATOM 0 HD22 LEU A 127 9.500 1.075 9.907 1.00 10.00 H new ATOM 0 HD23 LEU A 127 10.378 -0.421 10.301 1.00 10.00 H new ATOM 1622 N VAL A 128 11.285 3.621 6.330 1.00 10.00 N ATOM 1623 CA VAL A 128 11.909 4.419 5.295 1.00 10.00 C ATOM 1624 C VAL A 128 12.746 5.489 5.961 1.00 10.00 C ATOM 1625 O VAL A 128 12.213 6.338 6.676 1.00 10.00 O ATOM 1626 CB VAL A 128 10.865 5.090 4.384 1.00 10.00 C ATOM 1627 CG1 VAL A 128 11.514 5.625 3.119 1.00 10.00 C ATOM 1628 CG2 VAL A 128 9.742 4.124 4.050 1.00 10.00 C ATOM 0 H VAL A 128 10.583 4.117 6.879 1.00 10.00 H new ATOM 0 HA VAL A 128 12.522 3.766 4.674 1.00 10.00 H new ATOM 0 HB VAL A 128 10.436 5.934 4.924 1.00 10.00 H new ATOM 0 HG11 VAL A 128 10.756 6.094 2.492 1.00 10.00 H new ATOM 0 HG12 VAL A 128 12.273 6.361 3.383 1.00 10.00 H new ATOM 0 HG13 VAL A 128 11.979 4.804 2.573 1.00 10.00 H new ATOM 0 HG21 VAL A 128 9.016 4.619 3.405 1.00 10.00 H new ATOM 0 HG22 VAL A 128 10.151 3.255 3.535 1.00 10.00 H new ATOM 0 HG23 VAL A 128 9.252 3.804 4.969 1.00 10.00 H new ATOM 1638 N GLN A 129 14.044 5.460 5.728 1.00 10.00 N ATOM 1639 CA GLN A 129 14.939 6.427 6.336 1.00 10.00 C ATOM 1640 C GLN A 129 15.964 6.914 5.322 1.00 10.00 C ATOM 1641 O GLN A 129 16.416 6.148 4.470 1.00 10.00 O ATOM 1642 CB GLN A 129 15.647 5.809 7.547 1.00 10.00 C ATOM 1643 CG GLN A 129 14.696 5.170 8.551 1.00 10.00 C ATOM 1644 CD GLN A 129 15.392 4.703 9.810 1.00 10.00 C ATOM 1645 OE1 GLN A 129 15.486 5.442 10.791 1.00 10.00 O ATOM 1646 NE2 GLN A 129 15.885 3.477 9.794 1.00 10.00 N ATOM 0 H GLN A 129 14.502 4.779 5.123 1.00 10.00 H new ATOM 0 HA GLN A 129 14.349 7.280 6.672 1.00 10.00 H new ATOM 0 HB2 GLN A 129 16.353 5.056 7.198 1.00 10.00 H new ATOM 0 HB3 GLN A 129 16.228 6.582 8.051 1.00 10.00 H new ATOM 0 HG2 GLN A 129 13.920 5.888 8.816 1.00 10.00 H new ATOM 0 HG3 GLN A 129 14.198 4.322 8.082 1.00 10.00 H new ATOM 0 HE21 GLN A 129 15.785 2.898 8.960 1.00 10.00 H new ATOM 0 HE22 GLN A 129 16.365 3.110 10.615 1.00 10.00 H new ATOM 1655 N PRO A 130 16.326 8.198 5.387 1.00 10.00 N ATOM 1656 CA PRO A 130 17.304 8.781 4.483 1.00 10.00 C ATOM 1657 C PRO A 130 18.733 8.481 4.920 1.00 10.00 C ATOM 1658 O PRO A 130 19.037 8.445 6.117 1.00 10.00 O ATOM 1659 CB PRO A 130 17.013 10.276 4.578 1.00 10.00 C ATOM 1660 CG PRO A 130 16.496 10.472 5.963 1.00 10.00 C ATOM 1661 CD PRO A 130 15.802 9.189 6.349 1.00 10.00 C ATOM 0 HA PRO A 130 17.227 8.383 3.471 1.00 10.00 H new ATOM 0 HB2 PRO A 130 17.912 10.867 4.403 1.00 10.00 H new ATOM 0 HB3 PRO A 130 16.279 10.585 3.834 1.00 10.00 H new ATOM 0 HG2 PRO A 130 17.310 10.695 6.653 1.00 10.00 H new ATOM 0 HG3 PRO A 130 15.805 11.314 6.003 1.00 10.00 H new ATOM 0 HD2 PRO A 130 16.028 8.906 7.377 1.00 10.00 H new ATOM 0 HD3 PRO A 130 14.719 9.283 6.275 1.00 10.00 H new ATOM 1669 N VAL A 131 19.603 8.244 3.956 1.00 10.00 N ATOM 1670 CA VAL A 131 20.996 7.964 4.253 1.00 10.00 C ATOM 1671 C VAL A 131 21.868 9.145 3.842 1.00 10.00 C ATOM 1672 O VAL A 131 21.601 9.799 2.828 1.00 10.00 O ATOM 1673 CB VAL A 131 21.510 6.677 3.574 1.00 10.00 C ATOM 1674 CG1 VAL A 131 21.025 5.455 4.326 1.00 10.00 C ATOM 1675 CG2 VAL A 131 21.082 6.602 2.117 1.00 10.00 C ATOM 0 H VAL A 131 19.371 8.240 2.963 1.00 10.00 H new ATOM 0 HA VAL A 131 21.060 7.807 5.330 1.00 10.00 H new ATOM 0 HB VAL A 131 22.599 6.703 3.599 1.00 10.00 H new ATOM 0 HG11 VAL A 131 21.395 4.555 3.835 1.00 10.00 H new ATOM 0 HG12 VAL A 131 21.395 5.488 5.351 1.00 10.00 H new ATOM 0 HG13 VAL A 131 19.935 5.441 4.334 1.00 10.00 H new ATOM 0 HG21 VAL A 131 21.463 5.682 1.673 1.00 10.00 H new ATOM 0 HG22 VAL A 131 19.994 6.611 2.057 1.00 10.00 H new ATOM 0 HG23 VAL A 131 21.482 7.459 1.576 1.00 10.00 H new