USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 816 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 102 CYS SG : rot -36:sc= -0.678 USER MOD Set 1.2: A 105 CYS SG : rot 90:sc= 0.467 USER MOD Set 1.3: A 110 THR OG1 : rot -121:sc= 0.124 USER MOD Set 1.4: A 123 CYS SG : rot -174:sc= 0.307 USER MOD Set 1.5: A 126 CYS SG : rot 55:sc= -1.34! USER MOD Set 2.1: A 32 SER OG : rot 72:sc= -2.19! USER MOD Set 2.2: A 85 HIS : no HD1:sc= -6.77! C(o=-9.9!,f=-10!) USER MOD Set 2.3: A 89 ASN : amide:sc= -0.981 K(o=-9.9,f=-12) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.574 K(o=-0.57,f=-1.6!) USER MOD Single : A 37 ASN : amide:sc= -2.03 X(o=-2,f=-2) USER MOD Single : A 39 THR OG1 : rot 174:sc= 0.887 USER MOD Single : A 42 GLN : amide:sc= -0.319 K(o=-0.32,f=-4.6!) USER MOD Single : A 43 ASN : amide:sc= -0.02 X(o=-0.02,f=0) USER MOD Single : A 52 ASN : amide:sc= -1.7 X(o=-1.7,f=-1.7) USER MOD Single : A 56 GLN : amide:sc= -0.762 K(o=-0.76,f=-0.097) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 60 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.371) USER MOD Single : A 68 THR OG1 : rot -31:sc= -1.41! USER MOD Single : A 71 ASN : amide:sc= 0.478 K(o=0.48,f=-6.5!) USER MOD Single : A 80 GLN : amide:sc= -0.394 X(o=-0.39,f=-0.38) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 83:sc= 0.165 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -1.79 X(o=-1.8,f=-1.4) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HE2:sc= 0.108 K(o=0.11,f=-0.75) USER MOD Single : A 106 ASN : amide:sc= -0.058 X(o=-0.058,f=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -105:sc= -0.0693 (180deg=-2.84!) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 505 N TYR A 31 -7.351 -2.172 0.316 1.00 0.00 N ATOM 506 CA TYR A 31 -8.195 -1.348 1.175 1.00 0.00 C ATOM 507 C TYR A 31 -8.491 -2.055 2.499 1.00 0.00 C ATOM 508 O TYR A 31 -8.870 -3.226 2.520 1.00 0.00 O ATOM 509 CB TYR A 31 -9.499 -0.994 0.448 1.00 0.00 C ATOM 510 CG TYR A 31 -10.359 -2.185 0.087 1.00 0.00 C ATOM 511 CD1 TYR A 31 -11.138 -2.819 1.046 1.00 0.00 C ATOM 512 CD2 TYR A 31 -10.404 -2.665 -1.217 1.00 0.00 C ATOM 513 CE1 TYR A 31 -11.933 -3.899 0.719 1.00 0.00 C ATOM 514 CE2 TYR A 31 -11.200 -3.744 -1.553 1.00 0.00 C ATOM 515 CZ TYR A 31 -11.961 -4.358 -0.581 1.00 0.00 C ATOM 516 OH TYR A 31 -12.756 -5.432 -0.909 1.00 0.00 O ATOM 0 HA TYR A 31 -7.657 -0.428 1.403 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -10.080 -0.320 1.078 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -9.255 -0.448 -0.463 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -11.122 -2.461 2.065 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -9.807 -2.187 -1.980 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -12.530 -4.382 1.478 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -11.226 -4.104 -2.571 1.00 0.00 H new ATOM 0 HH TYR A 31 -12.662 -5.629 -1.865 1.00 0.00 H new ATOM 526 N SER A 32 -8.305 -1.332 3.602 1.00 0.00 N ATOM 527 CA SER A 32 -8.541 -1.883 4.937 1.00 0.00 C ATOM 528 C SER A 32 -10.029 -1.933 5.254 1.00 0.00 C ATOM 529 O SER A 32 -10.866 -1.632 4.403 1.00 0.00 O ATOM 530 CB SER A 32 -7.810 -1.051 5.994 1.00 0.00 C ATOM 531 OG SER A 32 -7.057 -0.015 5.390 1.00 0.00 O ATOM 0 H SER A 32 -7.991 -0.362 3.598 1.00 0.00 H new ATOM 0 HA SER A 32 -8.152 -2.901 4.953 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.532 -0.623 6.689 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.150 -1.694 6.576 1.00 0.00 H new ATOM 0 HG SER A 32 -7.664 0.677 5.054 1.00 0.00 H new ATOM 537 N VAL A 33 -10.351 -2.316 6.484 1.00 0.00 N ATOM 538 CA VAL A 33 -11.742 -2.408 6.915 1.00 0.00 C ATOM 539 C VAL A 33 -11.946 -1.713 8.255 1.00 0.00 C ATOM 540 O VAL A 33 -11.135 -1.859 9.170 1.00 0.00 O ATOM 541 CB VAL A 33 -12.234 -3.873 7.033 1.00 0.00 C ATOM 542 CG1 VAL A 33 -13.602 -4.020 6.388 1.00 0.00 C ATOM 543 CG2 VAL A 33 -11.246 -4.860 6.414 1.00 0.00 C ATOM 0 H VAL A 33 -9.669 -2.568 7.200 1.00 0.00 H new ATOM 0 HA VAL A 33 -12.329 -1.910 6.143 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.309 -4.110 8.094 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.937 -5.053 6.477 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -14.313 -3.363 6.889 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -13.538 -3.749 5.334 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -11.631 -5.874 6.519 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.115 -4.629 5.357 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.286 -4.782 6.924 1.00 0.00 H new ATOM 553 N ILE A 34 -13.030 -0.951 8.361 1.00 0.00 N ATOM 554 CA ILE A 34 -13.338 -0.230 9.589 1.00 0.00 C ATOM 555 C ILE A 34 -14.183 -1.080 10.532 1.00 0.00 C ATOM 556 O ILE A 34 -15.099 -1.781 10.102 1.00 0.00 O ATOM 557 CB ILE A 34 -14.090 1.082 9.294 1.00 0.00 C ATOM 558 CG1 ILE A 34 -13.396 1.855 8.172 1.00 0.00 C ATOM 559 CG2 ILE A 34 -14.177 1.932 10.552 1.00 0.00 C ATOM 560 CD1 ILE A 34 -14.028 1.652 6.812 1.00 0.00 C ATOM 0 H ILE A 34 -13.709 -0.817 7.611 1.00 0.00 H new ATOM 0 HA ILE A 34 -12.385 0.000 10.066 1.00 0.00 H new ATOM 0 HB ILE A 34 -15.101 0.839 8.968 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -13.408 2.918 8.414 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -12.350 1.551 8.126 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -14.711 2.856 10.330 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -14.711 1.382 11.327 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -13.172 2.168 10.902 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -13.482 2.231 6.067 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -13.992 0.595 6.548 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -15.066 1.983 6.840 1.00 0.00 H new ATOM 572 N GLN A 35 -13.874 -1.007 11.823 1.00 0.00 N ATOM 573 CA GLN A 35 -14.609 -1.763 12.829 1.00 0.00 C ATOM 574 C GLN A 35 -14.794 -0.936 14.096 1.00 0.00 C ATOM 575 O GLN A 35 -13.963 -0.978 14.998 1.00 0.00 O ATOM 576 CB GLN A 35 -13.874 -3.065 13.162 1.00 0.00 C ATOM 577 CG GLN A 35 -14.595 -4.315 12.685 1.00 0.00 C ATOM 578 CD GLN A 35 -13.738 -5.562 12.801 1.00 0.00 C ATOM 579 OE1 GLN A 35 -12.801 -5.759 12.029 1.00 0.00 O ATOM 580 NE2 GLN A 35 -14.057 -6.411 13.771 1.00 0.00 N ATOM 0 H GLN A 35 -13.119 -0.431 12.196 1.00 0.00 H new ATOM 0 HA GLN A 35 -15.591 -2.003 12.421 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -12.881 -3.036 12.713 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.734 -3.127 14.241 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -15.506 -4.449 13.268 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -14.898 -4.182 11.646 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -14.843 -6.208 14.389 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -13.516 -7.266 13.898 1.00 0.00 H new ATOM 589 N GLY A 36 -15.886 -0.185 14.159 1.00 0.00 N ATOM 590 CA GLY A 36 -16.147 0.638 15.326 1.00 0.00 C ATOM 591 C GLY A 36 -15.068 1.681 15.550 1.00 0.00 C ATOM 592 O GLY A 36 -15.225 2.839 15.161 1.00 0.00 O ATOM 0 H GLY A 36 -16.594 -0.130 13.426 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -17.110 1.135 15.209 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.222 0.001 16.207 1.00 0.00 H new ATOM 596 N ASN A 37 -13.969 1.271 16.176 1.00 0.00 N ATOM 597 CA ASN A 37 -12.860 2.180 16.449 1.00 0.00 C ATOM 598 C ASN A 37 -11.512 1.505 16.196 1.00 0.00 C ATOM 599 O ASN A 37 -10.480 1.961 16.687 1.00 0.00 O ATOM 600 CB ASN A 37 -12.924 2.674 17.893 1.00 0.00 C ATOM 601 CG ASN A 37 -11.991 3.841 18.143 1.00 0.00 C ATOM 602 OD1 ASN A 37 -11.728 4.643 17.247 1.00 0.00 O ATOM 603 ND2 ASN A 37 -11.482 3.941 19.365 1.00 0.00 N ATOM 0 H ASN A 37 -13.822 0.316 16.504 1.00 0.00 H new ATOM 0 HA ASN A 37 -12.952 3.028 15.770 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -13.946 2.972 18.128 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -12.668 1.856 18.566 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.846 4.705 19.591 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -11.727 3.254 20.077 1.00 0.00 H new ATOM 610 N ARG A 38 -11.528 0.421 15.426 1.00 0.00 N ATOM 611 CA ARG A 38 -10.303 -0.310 15.112 1.00 0.00 C ATOM 612 C ARG A 38 -10.254 -0.676 13.632 1.00 0.00 C ATOM 613 O ARG A 38 -11.290 -0.872 12.997 1.00 0.00 O ATOM 614 CB ARG A 38 -10.188 -1.578 15.971 1.00 0.00 C ATOM 615 CG ARG A 38 -11.514 -2.093 16.507 1.00 0.00 C ATOM 616 CD ARG A 38 -11.522 -3.610 16.607 1.00 0.00 C ATOM 617 NE ARG A 38 -11.170 -4.069 17.950 1.00 0.00 N ATOM 618 CZ ARG A 38 -12.036 -4.602 18.813 1.00 0.00 C ATOM 619 NH1 ARG A 38 -13.310 -4.770 18.479 1.00 0.00 N ATOM 620 NH2 ARG A 38 -11.624 -4.974 20.019 1.00 0.00 N ATOM 0 H ARG A 38 -12.372 0.030 15.009 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.459 0.342 15.338 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.720 -2.363 15.378 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.524 -1.375 16.811 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -11.703 -1.661 17.490 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -12.323 -1.766 15.854 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -12.510 -3.986 16.342 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.819 -4.025 15.885 1.00 0.00 H new ATOM 0 HE ARG A 38 -10.198 -3.975 18.246 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -13.636 -4.490 17.554 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -13.963 -5.179 19.148 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.647 -4.852 20.284 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -12.285 -5.382 20.680 1.00 0.00 H new ATOM 634 N THR A 39 -9.043 -0.765 13.088 1.00 0.00 N ATOM 635 CA THR A 39 -8.863 -1.104 11.680 1.00 0.00 C ATOM 636 C THR A 39 -8.386 -2.546 11.519 1.00 0.00 C ATOM 637 O THR A 39 -7.377 -2.951 12.098 1.00 0.00 O ATOM 638 CB THR A 39 -7.889 -0.113 11.012 1.00 0.00 C ATOM 639 OG1 THR A 39 -8.496 0.485 9.882 1.00 0.00 O ATOM 640 CG2 THR A 39 -6.574 -0.714 10.542 1.00 0.00 C ATOM 0 H THR A 39 -8.175 -0.608 13.599 1.00 0.00 H new ATOM 0 HA THR A 39 -9.828 -1.023 11.179 1.00 0.00 H new ATOM 0 HB THR A 39 -7.661 0.606 11.799 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.904 1.178 9.521 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.961 0.064 10.087 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.045 -1.142 11.393 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.773 -1.495 9.808 1.00 0.00 H new ATOM 648 N PHE A 40 -9.118 -3.314 10.723 1.00 0.00 N ATOM 649 CA PHE A 40 -8.774 -4.706 10.473 1.00 0.00 C ATOM 650 C PHE A 40 -7.882 -4.811 9.241 1.00 0.00 C ATOM 651 O PHE A 40 -8.360 -5.069 8.138 1.00 0.00 O ATOM 652 CB PHE A 40 -10.044 -5.532 10.272 1.00 0.00 C ATOM 653 CG PHE A 40 -9.819 -7.016 10.292 1.00 0.00 C ATOM 654 CD1 PHE A 40 -9.366 -7.682 9.164 1.00 0.00 C ATOM 655 CD2 PHE A 40 -10.077 -7.746 11.438 1.00 0.00 C ATOM 656 CE1 PHE A 40 -9.175 -9.050 9.183 1.00 0.00 C ATOM 657 CE2 PHE A 40 -9.884 -9.113 11.465 1.00 0.00 C ATOM 658 CZ PHE A 40 -9.433 -9.767 10.335 1.00 0.00 C ATOM 0 H PHE A 40 -9.957 -2.994 10.238 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.233 -5.096 11.335 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -10.760 -5.273 11.052 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -10.497 -5.257 9.319 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -9.160 -7.126 8.261 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -10.434 -7.240 12.323 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -8.824 -9.559 8.297 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -10.085 -9.670 12.368 1.00 0.00 H new ATOM 0 HZ PHE A 40 -9.282 -10.836 10.352 1.00 0.00 H new ATOM 668 N ILE A 41 -6.584 -4.605 9.439 1.00 0.00 N ATOM 669 CA ILE A 41 -5.622 -4.674 8.336 1.00 0.00 C ATOM 670 C ILE A 41 -5.268 -6.134 8.033 1.00 0.00 C ATOM 671 O ILE A 41 -4.655 -6.825 8.846 1.00 0.00 O ATOM 672 CB ILE A 41 -4.349 -3.806 8.622 1.00 0.00 C ATOM 673 CG1 ILE A 41 -3.050 -4.470 8.106 1.00 0.00 C ATOM 674 CG2 ILE A 41 -4.248 -3.483 10.107 1.00 0.00 C ATOM 675 CD1 ILE A 41 -1.790 -4.023 8.824 1.00 0.00 C ATOM 0 H ILE A 41 -6.172 -4.390 10.347 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.088 -4.250 7.447 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.462 -2.874 8.067 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.145 -5.551 8.204 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.944 -4.255 7.043 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.358 -2.880 10.288 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.133 -2.928 10.420 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.180 -4.410 10.677 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.928 -4.537 8.400 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.666 -2.947 8.705 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.870 -4.264 9.884 1.00 0.00 H new ATOM 687 N GLN A 42 -5.689 -6.599 6.859 1.00 0.00 N ATOM 688 CA GLN A 42 -5.450 -7.977 6.437 1.00 0.00 C ATOM 689 C GLN A 42 -4.429 -8.035 5.309 1.00 0.00 C ATOM 690 O GLN A 42 -3.525 -8.872 5.315 1.00 0.00 O ATOM 691 CB GLN A 42 -6.762 -8.611 5.977 1.00 0.00 C ATOM 692 CG GLN A 42 -6.702 -10.122 5.831 1.00 0.00 C ATOM 693 CD GLN A 42 -6.537 -10.562 4.390 1.00 0.00 C ATOM 694 OE1 GLN A 42 -5.977 -9.836 3.568 1.00 0.00 O ATOM 695 NE2 GLN A 42 -7.025 -11.756 4.077 1.00 0.00 N ATOM 0 H GLN A 42 -6.201 -6.037 6.179 1.00 0.00 H new ATOM 0 HA GLN A 42 -5.053 -8.531 7.288 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.546 -8.356 6.690 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.048 -8.175 5.020 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.871 -10.508 6.422 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.614 -10.559 6.238 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.481 -12.324 4.791 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.944 -12.106 3.122 1.00 0.00 H new ATOM 704 N ASN A 43 -4.580 -7.140 4.344 1.00 0.00 N ATOM 705 CA ASN A 43 -3.673 -7.084 3.209 1.00 0.00 C ATOM 706 C ASN A 43 -2.553 -6.091 3.480 1.00 0.00 C ATOM 707 O ASN A 43 -2.216 -5.270 2.628 1.00 0.00 O ATOM 708 CB ASN A 43 -4.438 -6.688 1.942 1.00 0.00 C ATOM 709 CG ASN A 43 -4.988 -7.889 1.196 1.00 0.00 C ATOM 710 OD1 ASN A 43 -6.201 -8.087 1.122 1.00 0.00 O ATOM 711 ND2 ASN A 43 -4.096 -8.698 0.636 1.00 0.00 N ATOM 0 H ASN A 43 -5.323 -6.442 4.325 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.235 -8.071 3.060 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.259 -6.024 2.210 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.776 -6.127 1.282 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -4.407 -9.521 0.120 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.100 -8.496 0.722 1.00 0.00 H new ATOM 718 N PHE A 44 -1.980 -6.162 4.682 1.00 0.00 N ATOM 719 CA PHE A 44 -0.906 -5.254 5.066 1.00 0.00 C ATOM 720 C PHE A 44 0.143 -5.133 3.975 1.00 0.00 C ATOM 721 O PHE A 44 0.822 -4.126 3.893 1.00 0.00 O ATOM 722 CB PHE A 44 -0.237 -5.689 6.370 1.00 0.00 C ATOM 723 CG PHE A 44 -0.100 -7.173 6.544 1.00 0.00 C ATOM 724 CD1 PHE A 44 0.935 -7.866 5.936 1.00 0.00 C ATOM 725 CD2 PHE A 44 -0.998 -7.873 7.333 1.00 0.00 C ATOM 726 CE1 PHE A 44 1.071 -9.229 6.112 1.00 0.00 C ATOM 727 CE2 PHE A 44 -0.869 -9.236 7.511 1.00 0.00 C ATOM 728 CZ PHE A 44 0.167 -9.915 6.901 1.00 0.00 C ATOM 0 H PHE A 44 -2.242 -6.836 5.401 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.368 -4.278 5.218 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.754 -5.239 6.421 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.811 -5.291 7.207 1.00 0.00 H new ATOM 0 HD1 PHE A 44 1.643 -7.334 5.318 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -1.809 -7.346 7.815 1.00 0.00 H new ATOM 0 HE1 PHE A 44 1.882 -9.758 5.634 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -1.577 -9.770 8.127 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.271 -10.981 7.040 1.00 0.00 H new ATOM 738 N ARG A 45 0.271 -6.155 3.139 1.00 0.00 N ATOM 739 CA ARG A 45 1.249 -6.123 2.059 1.00 0.00 C ATOM 740 C ARG A 45 0.767 -5.245 0.908 1.00 0.00 C ATOM 741 O ARG A 45 1.429 -4.275 0.530 1.00 0.00 O ATOM 742 CB ARG A 45 1.524 -7.530 1.544 1.00 0.00 C ATOM 743 CG ARG A 45 2.652 -7.579 0.530 1.00 0.00 C ATOM 744 CD ARG A 45 3.989 -7.831 1.203 1.00 0.00 C ATOM 745 NE ARG A 45 4.837 -8.707 0.403 1.00 0.00 N ATOM 746 CZ ARG A 45 4.517 -9.962 0.098 1.00 0.00 C ATOM 747 NH1 ARG A 45 3.380 -10.489 0.539 1.00 0.00 N ATOM 748 NH2 ARG A 45 5.334 -10.693 -0.647 1.00 0.00 N ATOM 0 H ARG A 45 -0.284 -7.009 3.186 1.00 0.00 H new ATOM 0 HA ARG A 45 2.170 -5.700 2.460 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.771 -8.177 2.385 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.617 -7.929 1.090 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.455 -8.366 -0.198 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.691 -6.638 -0.020 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.499 -6.882 1.368 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.825 -8.279 2.183 1.00 0.00 H new ATOM 0 HE ARG A 45 5.723 -8.338 0.059 1.00 0.00 H new ATOM 0 HH11 ARG A 45 2.748 -9.931 1.114 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.139 -11.451 0.303 1.00 0.00 H new ATOM 0 HH21 ARG A 45 6.209 -10.294 -0.987 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.088 -11.655 -0.880 1.00 0.00 H new ATOM 762 N GLU A 46 -0.397 -5.579 0.364 1.00 0.00 N ATOM 763 CA GLU A 46 -0.967 -4.808 -0.732 1.00 0.00 C ATOM 764 C GLU A 46 -1.324 -3.413 -0.250 1.00 0.00 C ATOM 765 O GLU A 46 -1.088 -2.420 -0.940 1.00 0.00 O ATOM 766 CB GLU A 46 -2.205 -5.500 -1.303 1.00 0.00 C ATOM 767 CG GLU A 46 -2.602 -4.995 -2.682 1.00 0.00 C ATOM 768 CD GLU A 46 -1.875 -5.713 -3.803 1.00 0.00 C ATOM 769 OE1 GLU A 46 -0.751 -5.290 -4.146 1.00 0.00 O ATOM 770 OE2 GLU A 46 -2.430 -6.694 -4.338 1.00 0.00 O ATOM 0 H GLU A 46 -0.962 -6.374 0.662 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.223 -4.736 -1.525 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.019 -6.573 -1.358 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.040 -5.356 -0.618 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.677 -5.120 -2.814 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.395 -3.927 -2.746 1.00 0.00 H new ATOM 777 N VAL A 47 -1.881 -3.346 0.952 1.00 0.00 N ATOM 778 CA VAL A 47 -2.260 -2.074 1.539 1.00 0.00 C ATOM 779 C VAL A 47 -1.020 -1.259 1.899 1.00 0.00 C ATOM 780 O VAL A 47 -1.009 -0.042 1.740 1.00 0.00 O ATOM 781 CB VAL A 47 -3.145 -2.254 2.795 1.00 0.00 C ATOM 782 CG1 VAL A 47 -3.878 -0.963 3.124 1.00 0.00 C ATOM 783 CG2 VAL A 47 -4.141 -3.392 2.604 1.00 0.00 C ATOM 0 H VAL A 47 -2.079 -4.158 1.537 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.844 -1.539 0.790 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.492 -2.508 3.630 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.495 -1.111 4.010 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.153 -0.171 3.314 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.512 -0.680 2.284 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.750 -3.497 3.502 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.785 -3.173 1.752 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.601 -4.321 2.421 1.00 0.00 H new ATOM 793 N ALA A 48 0.022 -1.929 2.398 1.00 0.00 N ATOM 794 CA ALA A 48 1.248 -1.236 2.786 1.00 0.00 C ATOM 795 C ALA A 48 1.943 -0.585 1.599 1.00 0.00 C ATOM 796 O ALA A 48 2.637 0.416 1.751 1.00 0.00 O ATOM 797 CB ALA A 48 2.218 -2.177 3.475 1.00 0.00 C ATOM 0 H ALA A 48 0.040 -2.939 2.541 1.00 0.00 H new ATOM 0 HA ALA A 48 0.946 -0.452 3.481 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.120 -1.631 3.751 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.753 -2.587 4.372 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.479 -2.990 2.798 1.00 0.00 H new ATOM 803 N ASP A 49 1.767 -1.157 0.420 1.00 0.00 N ATOM 804 CA ASP A 49 2.403 -0.610 -0.771 1.00 0.00 C ATOM 805 C ASP A 49 1.635 0.594 -1.296 1.00 0.00 C ATOM 806 O ASP A 49 2.149 1.712 -1.299 1.00 0.00 O ATOM 807 CB ASP A 49 2.524 -1.681 -1.856 1.00 0.00 C ATOM 808 CG ASP A 49 3.538 -1.316 -2.924 1.00 0.00 C ATOM 809 OD1 ASP A 49 3.914 -0.128 -3.005 1.00 0.00 O ATOM 810 OD2 ASP A 49 3.955 -2.219 -3.679 1.00 0.00 O ATOM 0 H ASP A 49 1.198 -1.988 0.260 1.00 0.00 H new ATOM 0 HA ASP A 49 3.405 -0.280 -0.496 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.810 -2.628 -1.397 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.550 -1.833 -2.321 1.00 0.00 H new ATOM 815 N ALA A 50 0.417 0.365 -1.761 1.00 0.00 N ATOM 816 CA ALA A 50 -0.392 1.445 -2.307 1.00 0.00 C ATOM 817 C ALA A 50 -0.461 2.651 -1.360 1.00 0.00 C ATOM 818 O ALA A 50 -0.268 3.787 -1.790 1.00 0.00 O ATOM 819 CB ALA A 50 -1.786 0.946 -2.645 1.00 0.00 C ATOM 0 H ALA A 50 -0.031 -0.551 -1.772 1.00 0.00 H new ATOM 0 HA ALA A 50 0.092 1.784 -3.223 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.377 1.766 -3.052 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.717 0.147 -3.383 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.265 0.566 -1.743 1.00 0.00 H new ATOM 825 N LEU A 51 -0.741 2.408 -0.078 1.00 0.00 N ATOM 826 CA LEU A 51 -0.837 3.486 0.885 1.00 0.00 C ATOM 827 C LEU A 51 0.528 4.126 1.125 1.00 0.00 C ATOM 828 O LEU A 51 0.647 5.352 1.163 1.00 0.00 O ATOM 829 CB LEU A 51 -1.429 2.982 2.206 1.00 0.00 C ATOM 830 CG LEU A 51 -1.111 3.862 3.407 1.00 0.00 C ATOM 831 CD1 LEU A 51 -1.629 5.263 3.173 1.00 0.00 C ATOM 832 CD2 LEU A 51 -1.673 3.274 4.691 1.00 0.00 C ATOM 0 H LEU A 51 -0.903 1.478 0.307 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.503 4.244 0.474 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.511 2.907 2.101 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.057 1.976 2.398 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.028 3.907 3.523 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.397 5.886 4.037 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.155 5.683 2.286 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.709 5.232 3.027 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.428 3.927 5.528 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.756 3.184 4.606 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.239 2.289 4.860 1.00 0.00 H new ATOM 844 N ASN A 52 1.559 3.301 1.285 1.00 0.00 N ATOM 845 CA ASN A 52 2.903 3.816 1.517 1.00 0.00 C ATOM 846 C ASN A 52 3.948 2.905 0.897 1.00 0.00 C ATOM 847 O ASN A 52 4.382 1.933 1.515 1.00 0.00 O ATOM 848 CB ASN A 52 3.179 3.980 3.016 1.00 0.00 C ATOM 849 CG ASN A 52 3.530 5.407 3.390 1.00 0.00 C ATOM 850 OD1 ASN A 52 3.011 5.949 4.367 1.00 0.00 O ATOM 851 ND2 ASN A 52 4.412 6.028 2.615 1.00 0.00 N ATOM 0 H ASN A 52 1.491 2.284 1.259 1.00 0.00 H new ATOM 0 HA ASN A 52 2.965 4.795 1.042 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.301 3.666 3.580 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.997 3.320 3.306 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.683 6.990 2.820 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.819 5.543 1.815 1.00 0.00 H new ATOM 858 N ARG A 53 4.353 3.234 -0.326 1.00 0.00 N ATOM 859 CA ARG A 53 5.358 2.461 -1.050 1.00 0.00 C ATOM 860 C ARG A 53 6.446 1.942 -0.105 1.00 0.00 C ATOM 861 O ARG A 53 7.000 0.864 -0.314 1.00 0.00 O ATOM 862 CB ARG A 53 5.977 3.324 -2.149 1.00 0.00 C ATOM 863 CG ARG A 53 6.151 2.595 -3.472 1.00 0.00 C ATOM 864 CD ARG A 53 7.556 2.036 -3.626 1.00 0.00 C ATOM 865 NE ARG A 53 8.573 3.063 -3.423 1.00 0.00 N ATOM 866 CZ ARG A 53 9.791 3.019 -3.944 1.00 0.00 C ATOM 867 NH1 ARG A 53 10.171 1.996 -4.697 1.00 0.00 N ATOM 868 NH2 ARG A 53 10.632 4.008 -3.705 1.00 0.00 N ATOM 0 H ARG A 53 3.997 4.039 -0.841 1.00 0.00 H new ATOM 0 HA ARG A 53 4.870 1.597 -1.500 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.349 4.201 -2.307 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.949 3.684 -1.812 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.427 1.783 -3.538 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.939 3.278 -4.294 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.707 1.229 -2.909 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.669 1.604 -4.621 1.00 0.00 H new ATOM 0 HE ARG A 53 8.331 3.866 -2.843 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.523 1.230 -4.882 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.111 1.975 -5.092 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.342 4.795 -3.125 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.572 3.985 -4.101 1.00 0.00 H new ATOM 882 N ASP A 54 6.730 2.715 0.941 1.00 0.00 N ATOM 883 CA ASP A 54 7.729 2.335 1.933 1.00 0.00 C ATOM 884 C ASP A 54 7.064 1.611 3.105 1.00 0.00 C ATOM 885 O ASP A 54 5.997 2.016 3.566 1.00 0.00 O ATOM 886 CB ASP A 54 8.467 3.576 2.439 1.00 0.00 C ATOM 887 CG ASP A 54 9.845 3.721 1.825 1.00 0.00 C ATOM 888 OD1 ASP A 54 10.691 2.829 2.046 1.00 0.00 O ATOM 889 OD2 ASP A 54 10.079 4.728 1.125 1.00 0.00 O ATOM 0 H ASP A 54 6.279 3.612 1.122 1.00 0.00 H new ATOM 0 HA ASP A 54 8.446 1.662 1.464 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.876 4.464 2.213 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.560 3.523 3.524 1.00 0.00 H new ATOM 894 N PRO A 55 7.682 0.526 3.605 1.00 0.00 N ATOM 895 CA PRO A 55 7.132 -0.246 4.723 1.00 0.00 C ATOM 896 C PRO A 55 7.261 0.481 6.059 1.00 0.00 C ATOM 897 O PRO A 55 6.314 0.532 6.845 1.00 0.00 O ATOM 898 CB PRO A 55 7.981 -1.516 4.726 1.00 0.00 C ATOM 899 CG PRO A 55 9.280 -1.105 4.123 1.00 0.00 C ATOM 900 CD PRO A 55 8.956 -0.035 3.116 1.00 0.00 C ATOM 0 HA PRO A 55 6.064 -0.427 4.603 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.118 -1.898 5.738 1.00 0.00 H new ATOM 0 HB3 PRO A 55 7.509 -2.309 4.146 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.961 -0.728 4.886 1.00 0.00 H new ATOM 0 HG3 PRO A 55 9.773 -1.952 3.646 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.737 0.724 3.071 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.854 -0.447 2.112 1.00 0.00 H new ATOM 908 N GLN A 56 8.441 1.034 6.310 1.00 0.00 N ATOM 909 CA GLN A 56 8.708 1.753 7.551 1.00 0.00 C ATOM 910 C GLN A 56 7.825 2.991 7.672 1.00 0.00 C ATOM 911 O GLN A 56 7.459 3.404 8.775 1.00 0.00 O ATOM 912 CB GLN A 56 10.183 2.155 7.615 1.00 0.00 C ATOM 913 CG GLN A 56 11.097 1.034 8.081 1.00 0.00 C ATOM 914 CD GLN A 56 12.264 0.800 7.140 1.00 0.00 C ATOM 915 OE1 GLN A 56 13.405 0.651 7.576 1.00 0.00 O ATOM 916 NE2 GLN A 56 11.984 0.768 5.843 1.00 0.00 N ATOM 0 H GLN A 56 9.232 0.998 5.668 1.00 0.00 H new ATOM 0 HA GLN A 56 8.477 1.089 8.384 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.504 2.488 6.628 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.291 3.005 8.289 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.478 1.271 9.074 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.519 0.114 8.173 1.00 0.00 H new ATOM 0 HE21 GLN A 56 11.023 0.896 5.525 1.00 0.00 H new ATOM 0 HE22 GLN A 56 12.730 0.615 5.164 1.00 0.00 H new ATOM 925 N HIS A 57 7.477 3.576 6.533 1.00 0.00 N ATOM 926 CA HIS A 57 6.634 4.762 6.522 1.00 0.00 C ATOM 927 C HIS A 57 5.217 4.408 6.957 1.00 0.00 C ATOM 928 O HIS A 57 4.723 4.907 7.966 1.00 0.00 O ATOM 929 CB HIS A 57 6.622 5.389 5.126 1.00 0.00 C ATOM 930 CG HIS A 57 7.309 6.719 5.053 1.00 0.00 C ATOM 931 ND1 HIS A 57 8.444 6.939 4.302 1.00 0.00 N ATOM 932 CD2 HIS A 57 7.010 7.906 5.633 1.00 0.00 C ATOM 933 CE1 HIS A 57 8.816 8.200 4.422 1.00 0.00 C ATOM 934 NE2 HIS A 57 7.963 8.809 5.225 1.00 0.00 N ATOM 0 H HIS A 57 7.764 3.250 5.610 1.00 0.00 H new ATOM 0 HA HIS A 57 7.042 5.487 7.226 1.00 0.00 H new ATOM 0 HB2 HIS A 57 7.102 4.704 4.426 1.00 0.00 H new ATOM 0 HB3 HIS A 57 5.589 5.506 4.800 1.00 0.00 H new ATOM 0 HD2 HIS A 57 6.178 8.106 6.293 1.00 0.00 H new ATOM 0 HE1 HIS A 57 9.671 8.655 3.945 1.00 0.00 H new ATOM 0 HE2 HIS A 57 8.004 9.791 5.498 1.00 0.00 H new ATOM 942 N LEU A 58 4.567 3.548 6.183 1.00 0.00 N ATOM 943 CA LEU A 58 3.202 3.124 6.481 1.00 0.00 C ATOM 944 C LEU A 58 3.050 2.747 7.951 1.00 0.00 C ATOM 945 O LEU A 58 2.057 3.092 8.592 1.00 0.00 O ATOM 946 CB LEU A 58 2.813 1.933 5.609 1.00 0.00 C ATOM 947 CG LEU A 58 1.309 1.767 5.380 1.00 0.00 C ATOM 948 CD1 LEU A 58 1.006 1.714 3.895 1.00 0.00 C ATOM 949 CD2 LEU A 58 0.792 0.513 6.069 1.00 0.00 C ATOM 0 H LEU A 58 4.963 3.129 5.342 1.00 0.00 H new ATOM 0 HA LEU A 58 2.541 3.964 6.266 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.304 2.034 4.641 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.199 1.023 6.069 1.00 0.00 H new ATOM 0 HG LEU A 58 0.800 2.629 5.812 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.067 1.596 3.747 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.338 2.639 3.423 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.529 0.869 3.447 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.279 0.416 5.892 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.306 -0.361 5.668 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.978 0.584 7.141 1.00 0.00 H new ATOM 961 N LEU A 59 4.038 2.032 8.475 1.00 0.00 N ATOM 962 CA LEU A 59 4.011 1.601 9.867 1.00 0.00 C ATOM 963 C LEU A 59 3.857 2.795 10.799 1.00 0.00 C ATOM 964 O LEU A 59 2.912 2.865 11.587 1.00 0.00 O ATOM 965 CB LEU A 59 5.278 0.816 10.205 1.00 0.00 C ATOM 966 CG LEU A 59 5.086 -0.697 10.292 1.00 0.00 C ATOM 967 CD1 LEU A 59 4.115 -1.044 11.410 1.00 0.00 C ATOM 968 CD2 LEU A 59 4.588 -1.243 8.962 1.00 0.00 C ATOM 0 H LEU A 59 4.867 1.739 7.958 1.00 0.00 H new ATOM 0 HA LEU A 59 3.150 0.948 10.007 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.034 1.030 9.450 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.668 1.175 11.157 1.00 0.00 H new ATOM 0 HG LEU A 59 6.048 -1.159 10.516 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.988 -2.126 11.459 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.509 -0.681 12.359 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.151 -0.575 11.213 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.456 -2.322 9.038 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.635 -0.777 8.711 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.316 -1.021 8.182 1.00 0.00 H new ATOM 980 N LYS A 60 4.786 3.738 10.701 1.00 0.00 N ATOM 981 CA LYS A 60 4.741 4.932 11.533 1.00 0.00 C ATOM 982 C LYS A 60 3.447 5.710 11.302 1.00 0.00 C ATOM 983 O LYS A 60 3.041 6.510 12.143 1.00 0.00 O ATOM 984 CB LYS A 60 5.951 5.826 11.248 1.00 0.00 C ATOM 985 CG LYS A 60 6.959 5.867 12.385 1.00 0.00 C ATOM 986 CD LYS A 60 7.954 4.718 12.293 1.00 0.00 C ATOM 987 CE LYS A 60 7.980 3.894 13.571 1.00 0.00 C ATOM 988 NZ LYS A 60 6.844 2.934 13.637 1.00 0.00 N ATOM 0 H LYS A 60 5.576 3.699 10.057 1.00 0.00 H new ATOM 0 HA LYS A 60 4.771 4.618 12.576 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.449 5.472 10.345 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.604 6.839 11.045 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.495 6.816 12.363 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.434 5.819 13.339 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.693 4.076 11.451 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.950 5.114 12.095 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.921 3.347 13.631 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.943 4.560 14.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.052 2.198 14.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.977 3.440 13.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.708 2.492 12.705 1.00 0.00 H new ATOM 1002 N PHE A 61 2.803 5.473 10.158 1.00 0.00 N ATOM 1003 CA PHE A 61 1.556 6.157 9.825 1.00 0.00 C ATOM 1004 C PHE A 61 0.386 5.578 10.617 1.00 0.00 C ATOM 1005 O PHE A 61 -0.413 6.320 11.192 1.00 0.00 O ATOM 1006 CB PHE A 61 1.276 6.060 8.323 1.00 0.00 C ATOM 1007 CG PHE A 61 1.487 7.356 7.589 1.00 0.00 C ATOM 1008 CD1 PHE A 61 0.479 8.305 7.528 1.00 0.00 C ATOM 1009 CD2 PHE A 61 2.691 7.622 6.957 1.00 0.00 C ATOM 1010 CE1 PHE A 61 0.668 9.496 6.853 1.00 0.00 C ATOM 1011 CE2 PHE A 61 2.886 8.811 6.280 1.00 0.00 C ATOM 1012 CZ PHE A 61 1.873 9.748 6.227 1.00 0.00 C ATOM 0 H PHE A 61 3.125 4.814 9.449 1.00 0.00 H new ATOM 0 HA PHE A 61 1.666 7.207 10.095 1.00 0.00 H new ATOM 0 HB2 PHE A 61 1.922 5.297 7.889 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.248 5.730 8.174 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.466 8.111 8.014 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.486 6.892 6.994 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.125 10.228 6.815 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.830 9.007 5.793 1.00 0.00 H new ATOM 0 HZ PHE A 61 2.023 10.677 5.697 1.00 0.00 H new ATOM 1022 N LEU A 62 0.291 4.249 10.654 1.00 0.00 N ATOM 1023 CA LEU A 62 -0.782 3.588 11.386 1.00 0.00 C ATOM 1024 C LEU A 62 -0.751 4.000 12.850 1.00 0.00 C ATOM 1025 O LEU A 62 -1.789 4.275 13.450 1.00 0.00 O ATOM 1026 CB LEU A 62 -0.652 2.063 11.283 1.00 0.00 C ATOM 1027 CG LEU A 62 -1.429 1.408 10.138 1.00 0.00 C ATOM 1028 CD1 LEU A 62 -2.908 1.756 10.218 1.00 0.00 C ATOM 1029 CD2 LEU A 62 -0.849 1.822 8.796 1.00 0.00 C ATOM 0 H LEU A 62 0.940 3.615 10.188 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.730 3.892 10.943 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.403 1.813 11.172 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.986 1.624 12.223 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.333 0.327 10.234 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.439 1.279 9.394 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.314 1.402 11.165 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.032 2.837 10.152 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.414 1.347 7.994 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.911 2.905 8.691 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.194 1.511 8.739 1.00 0.00 H new ATOM 1041 N LEU A 63 0.447 4.044 13.420 1.00 0.00 N ATOM 1042 CA LEU A 63 0.608 4.426 14.816 1.00 0.00 C ATOM 1043 C LEU A 63 0.566 5.943 14.983 1.00 0.00 C ATOM 1044 O LEU A 63 0.281 6.443 16.071 1.00 0.00 O ATOM 1045 CB LEU A 63 1.916 3.870 15.381 1.00 0.00 C ATOM 1046 CG LEU A 63 1.761 3.088 16.687 1.00 0.00 C ATOM 1047 CD1 LEU A 63 1.528 1.613 16.401 1.00 0.00 C ATOM 1048 CD2 LEU A 63 2.985 3.275 17.570 1.00 0.00 C ATOM 0 H LEU A 63 1.318 3.821 12.939 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.225 3.999 15.374 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.372 3.220 14.635 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.606 4.697 15.547 1.00 0.00 H new ATOM 0 HG LEU A 63 0.892 3.476 17.219 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.420 1.073 17.341 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.620 1.496 15.809 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.376 1.211 15.847 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.856 2.712 18.494 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.870 2.915 17.046 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.107 4.333 17.804 1.00 0.00 H new ATOM 1060 N ARG A 64 0.853 6.675 13.908 1.00 0.00 N ATOM 1061 CA ARG A 64 0.845 8.134 13.965 1.00 0.00 C ATOM 1062 C ARG A 64 -0.532 8.656 14.356 1.00 0.00 C ATOM 1063 O ARG A 64 -0.661 9.461 15.279 1.00 0.00 O ATOM 1064 CB ARG A 64 1.278 8.739 12.621 1.00 0.00 C ATOM 1065 CG ARG A 64 2.516 9.625 12.708 1.00 0.00 C ATOM 1066 CD ARG A 64 3.649 8.960 13.480 1.00 0.00 C ATOM 1067 NE ARG A 64 4.473 9.938 14.187 1.00 0.00 N ATOM 1068 CZ ARG A 64 4.020 10.703 15.180 1.00 0.00 C ATOM 1069 NH1 ARG A 64 2.745 10.635 15.551 1.00 0.00 N ATOM 1070 NH2 ARG A 64 4.837 11.546 15.796 1.00 0.00 N ATOM 0 H ARG A 64 1.092 6.286 12.996 1.00 0.00 H new ATOM 0 HA ARG A 64 1.561 8.439 14.728 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.472 7.930 11.916 1.00 0.00 H new ATOM 0 HB3 ARG A 64 0.453 9.325 12.215 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.858 9.868 11.702 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.253 10.566 13.191 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.233 8.250 14.195 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.272 8.390 12.791 1.00 0.00 H new ATOM 0 HE ARG A 64 5.448 10.041 13.905 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.109 9.995 15.075 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.403 11.222 16.312 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.814 11.610 15.510 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.489 12.131 16.556 1.00 0.00 H new ATOM 1084 N GLU A 65 -1.557 8.198 13.653 1.00 0.00 N ATOM 1085 CA GLU A 65 -2.920 8.627 13.935 1.00 0.00 C ATOM 1086 C GLU A 65 -3.557 7.765 15.024 1.00 0.00 C ATOM 1087 O GLU A 65 -4.485 8.202 15.702 1.00 0.00 O ATOM 1088 CB GLU A 65 -3.767 8.568 12.667 1.00 0.00 C ATOM 1089 CG GLU A 65 -3.344 9.564 11.602 1.00 0.00 C ATOM 1090 CD GLU A 65 -4.528 10.245 10.946 1.00 0.00 C ATOM 1091 OE1 GLU A 65 -5.513 10.535 11.655 1.00 0.00 O ATOM 1092 OE2 GLU A 65 -4.472 10.483 9.721 1.00 0.00 O ATOM 0 H GLU A 65 -1.472 7.532 12.885 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.879 9.656 14.293 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.714 7.562 12.252 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.809 8.750 12.928 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.697 10.318 12.050 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.756 9.051 10.841 1.00 0.00 H new ATOM 1099 N LEU A 66 -3.059 6.541 15.187 1.00 0.00 N ATOM 1100 CA LEU A 66 -3.594 5.630 16.195 1.00 0.00 C ATOM 1101 C LEU A 66 -3.599 6.277 17.578 1.00 0.00 C ATOM 1102 O LEU A 66 -2.623 6.188 18.322 1.00 0.00 O ATOM 1103 CB LEU A 66 -2.788 4.328 16.218 1.00 0.00 C ATOM 1104 CG LEU A 66 -3.504 3.099 15.645 1.00 0.00 C ATOM 1105 CD1 LEU A 66 -4.200 3.432 14.329 1.00 0.00 C ATOM 1106 CD2 LEU A 66 -2.519 1.953 15.456 1.00 0.00 C ATOM 0 H LEU A 66 -2.290 6.159 14.637 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.626 5.401 15.928 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.865 4.482 15.659 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.505 4.114 17.249 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.268 2.788 16.358 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.699 2.542 13.946 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.937 4.218 14.496 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.462 3.775 13.604 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.042 1.088 15.049 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.732 2.259 14.767 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.077 1.691 16.417 1.00 0.00 H new ATOM 1118 N GLY A 67 -4.709 6.929 17.911 1.00 0.00 N ATOM 1119 CA GLY A 67 -4.830 7.584 19.200 1.00 0.00 C ATOM 1120 C GLY A 67 -5.169 6.616 20.320 1.00 0.00 C ATOM 1121 O GLY A 67 -5.000 6.936 21.496 1.00 0.00 O ATOM 0 H GLY A 67 -5.528 7.015 17.309 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.894 8.091 19.435 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.602 8.351 19.142 1.00 0.00 H new ATOM 1125 N THR A 68 -5.643 5.429 19.954 1.00 0.00 N ATOM 1126 CA THR A 68 -5.998 4.410 20.933 1.00 0.00 C ATOM 1127 C THR A 68 -4.833 3.445 21.120 1.00 0.00 C ATOM 1128 O THR A 68 -3.861 3.495 20.367 1.00 0.00 O ATOM 1129 CB THR A 68 -7.281 3.656 20.529 1.00 0.00 C ATOM 1130 OG1 THR A 68 -6.997 2.488 19.775 1.00 0.00 O ATOM 1131 CG2 THR A 68 -8.256 4.494 19.723 1.00 0.00 C ATOM 0 H THR A 68 -5.790 5.150 18.984 1.00 0.00 H new ATOM 0 HA THR A 68 -6.204 4.905 21.882 1.00 0.00 H new ATOM 0 HB THR A 68 -7.744 3.397 21.481 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.179 2.626 19.253 1.00 0.00 H new ATOM 0 HG21 THR A 68 -9.133 3.895 19.476 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.562 5.361 20.309 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.775 4.829 18.804 1.00 0.00 H new ATOM 1139 N ALA A 69 -4.930 2.587 22.131 1.00 0.00 N ATOM 1140 CA ALA A 69 -3.879 1.611 22.443 1.00 0.00 C ATOM 1141 C ALA A 69 -3.054 1.230 21.212 1.00 0.00 C ATOM 1142 O ALA A 69 -1.853 1.494 21.153 1.00 0.00 O ATOM 1143 CB ALA A 69 -4.494 0.372 23.073 1.00 0.00 C ATOM 0 H ALA A 69 -5.734 2.545 22.757 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.196 2.080 23.151 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.708 -0.348 23.302 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.011 0.649 23.992 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.205 -0.075 22.378 1.00 0.00 H new ATOM 1149 N GLY A 70 -3.707 0.620 20.232 1.00 0.00 N ATOM 1150 CA GLY A 70 -3.019 0.226 19.016 1.00 0.00 C ATOM 1151 C GLY A 70 -2.196 -1.038 19.187 1.00 0.00 C ATOM 1152 O GLY A 70 -1.105 -1.000 19.758 1.00 0.00 O ATOM 0 H GLY A 70 -4.701 0.391 20.256 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -3.751 0.072 18.223 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.367 1.038 18.694 1.00 0.00 H new ATOM 1156 N ASN A 71 -2.710 -2.159 18.684 1.00 0.00 N ATOM 1157 CA ASN A 71 -2.005 -3.436 18.779 1.00 0.00 C ATOM 1158 C ASN A 71 -2.549 -4.444 17.774 1.00 0.00 C ATOM 1159 O ASN A 71 -3.613 -4.248 17.193 1.00 0.00 O ATOM 1160 CB ASN A 71 -2.113 -4.013 20.191 1.00 0.00 C ATOM 1161 CG ASN A 71 -0.823 -4.669 20.638 1.00 0.00 C ATOM 1162 OD1 ASN A 71 -0.220 -5.446 19.898 1.00 0.00 O ATOM 1163 ND2 ASN A 71 -0.390 -4.359 21.854 1.00 0.00 N ATOM 0 H ASN A 71 -3.610 -2.209 18.207 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.957 -3.246 18.550 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.375 -3.217 20.888 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.921 -4.744 20.223 1.00 0.00 H new ATOM 0 HD21 ASN A 71 0.474 -4.770 22.208 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -0.921 -3.710 22.434 1.00 0.00 H new ATOM 1170 N LEU A 72 -1.814 -5.533 17.585 1.00 0.00 N ATOM 1171 CA LEU A 72 -2.227 -6.583 16.658 1.00 0.00 C ATOM 1172 C LEU A 72 -3.131 -7.599 17.357 1.00 0.00 C ATOM 1173 O LEU A 72 -2.673 -8.380 18.190 1.00 0.00 O ATOM 1174 CB LEU A 72 -1.013 -7.299 16.031 1.00 0.00 C ATOM 1175 CG LEU A 72 0.334 -7.149 16.760 1.00 0.00 C ATOM 1176 CD1 LEU A 72 0.659 -8.411 17.544 1.00 0.00 C ATOM 1177 CD2 LEU A 72 1.446 -6.833 15.769 1.00 0.00 C ATOM 0 H LEU A 72 -0.930 -5.713 18.060 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.787 -6.103 15.855 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.245 -8.362 15.961 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.891 -6.931 15.012 1.00 0.00 H new ATOM 0 HG LEU A 72 0.255 -6.319 17.462 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.615 -8.287 18.053 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.123 -8.593 18.281 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.719 -9.258 16.861 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.391 -6.730 16.303 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.526 -7.641 15.042 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.218 -5.901 15.252 1.00 0.00 H new ATOM 1189 N GLU A 73 -4.415 -7.587 17.001 1.00 0.00 N ATOM 1190 CA GLU A 73 -5.386 -8.512 17.581 1.00 0.00 C ATOM 1191 C GLU A 73 -5.737 -9.618 16.586 1.00 0.00 C ATOM 1192 O GLU A 73 -5.649 -9.424 15.373 1.00 0.00 O ATOM 1193 CB GLU A 73 -6.659 -7.760 17.988 1.00 0.00 C ATOM 1194 CG GLU A 73 -6.837 -7.609 19.485 1.00 0.00 C ATOM 1195 CD GLU A 73 -7.136 -8.925 20.171 1.00 0.00 C ATOM 1196 OE1 GLU A 73 -6.941 -9.984 19.538 1.00 0.00 O ATOM 1197 OE2 GLU A 73 -7.569 -8.896 21.341 1.00 0.00 O ATOM 0 H GLU A 73 -4.807 -6.945 16.312 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.939 -8.964 18.466 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.644 -6.770 17.533 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.524 -8.285 17.581 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.932 -7.178 19.913 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.648 -6.908 19.682 1.00 0.00 H new ATOM 1204 N GLY A 74 -6.145 -10.772 17.108 1.00 0.00 N ATOM 1205 CA GLY A 74 -6.514 -11.887 16.252 1.00 0.00 C ATOM 1206 C GLY A 74 -5.420 -12.273 15.279 1.00 0.00 C ATOM 1207 O GLY A 74 -4.382 -11.615 15.205 1.00 0.00 O ATOM 0 H GLY A 74 -6.227 -10.955 18.108 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -6.761 -12.748 16.873 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.414 -11.627 15.694 1.00 0.00 H new ATOM 1211 N GLY A 75 -5.654 -13.345 14.528 1.00 0.00 N ATOM 1212 CA GLY A 75 -4.672 -13.804 13.562 1.00 0.00 C ATOM 1213 C GLY A 75 -4.244 -12.714 12.596 1.00 0.00 C ATOM 1214 O GLY A 75 -3.124 -12.740 12.083 1.00 0.00 O ATOM 0 H GLY A 75 -6.506 -13.904 14.571 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.796 -14.179 14.091 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.086 -14.640 12.999 1.00 0.00 H new ATOM 1218 N ARG A 76 -5.133 -11.759 12.345 1.00 0.00 N ATOM 1219 CA ARG A 76 -4.837 -10.662 11.431 1.00 0.00 C ATOM 1220 C ARG A 76 -4.251 -9.467 12.182 1.00 0.00 C ATOM 1221 O ARG A 76 -3.843 -9.587 13.336 1.00 0.00 O ATOM 1222 CB ARG A 76 -6.103 -10.250 10.677 1.00 0.00 C ATOM 1223 CG ARG A 76 -5.911 -10.176 9.174 1.00 0.00 C ATOM 1224 CD ARG A 76 -5.364 -11.480 8.612 1.00 0.00 C ATOM 1225 NE ARG A 76 -4.183 -11.261 7.779 1.00 0.00 N ATOM 1226 CZ ARG A 76 -3.760 -12.116 6.850 1.00 0.00 C ATOM 1227 NH1 ARG A 76 -4.399 -13.265 6.658 1.00 0.00 N ATOM 1228 NH2 ARG A 76 -2.695 -11.823 6.115 1.00 0.00 N ATOM 0 H ARG A 76 -6.064 -11.722 12.761 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.093 -11.006 10.712 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.898 -10.962 10.900 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -6.434 -9.278 11.042 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.863 -9.945 8.696 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -5.228 -9.361 8.934 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -5.110 -12.151 9.433 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -6.137 -11.974 8.023 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.651 -10.402 7.918 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.216 -13.495 7.223 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.072 -13.917 5.945 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.201 -10.943 6.262 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.371 -12.478 5.403 1.00 0.00 H new ATOM 1242 N ALA A 77 -4.209 -8.314 11.519 1.00 0.00 N ATOM 1243 CA ALA A 77 -3.670 -7.104 12.131 1.00 0.00 C ATOM 1244 C ALA A 77 -4.785 -6.204 12.656 1.00 0.00 C ATOM 1245 O ALA A 77 -4.942 -5.067 12.218 1.00 0.00 O ATOM 1246 CB ALA A 77 -2.796 -6.345 11.140 1.00 0.00 C ATOM 0 H ALA A 77 -4.540 -8.193 10.562 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.055 -7.406 12.979 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.404 -5.446 11.615 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.968 -6.980 10.825 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.391 -6.066 10.270 1.00 0.00 H new ATOM 1252 N ILE A 78 -5.561 -6.717 13.598 1.00 0.00 N ATOM 1253 CA ILE A 78 -6.655 -5.947 14.174 1.00 0.00 C ATOM 1254 C ILE A 78 -6.127 -4.872 15.122 1.00 0.00 C ATOM 1255 O ILE A 78 -5.987 -5.106 16.321 1.00 0.00 O ATOM 1256 CB ILE A 78 -7.633 -6.852 14.941 1.00 0.00 C ATOM 1257 CG1 ILE A 78 -8.120 -7.992 14.051 1.00 0.00 C ATOM 1258 CG2 ILE A 78 -8.813 -6.048 15.473 1.00 0.00 C ATOM 1259 CD1 ILE A 78 -8.466 -9.251 14.815 1.00 0.00 C ATOM 0 H ILE A 78 -5.456 -7.657 13.979 1.00 0.00 H new ATOM 0 HA ILE A 78 -7.182 -5.474 13.346 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.102 -7.280 15.791 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.998 -7.660 13.497 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.349 -8.223 13.316 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -9.491 -6.710 16.012 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -8.450 -5.273 16.148 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.343 -5.585 14.640 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.804 -10.018 14.118 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.584 -9.608 15.347 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.259 -9.036 15.531 1.00 0.00 H new ATOM 1271 N LEU A 79 -5.840 -3.693 14.581 1.00 0.00 N ATOM 1272 CA LEU A 79 -5.335 -2.587 15.389 1.00 0.00 C ATOM 1273 C LEU A 79 -6.470 -1.661 15.811 1.00 0.00 C ATOM 1274 O LEU A 79 -7.608 -1.826 15.378 1.00 0.00 O ATOM 1275 CB LEU A 79 -4.283 -1.800 14.611 1.00 0.00 C ATOM 1276 CG LEU A 79 -4.817 -1.085 13.375 1.00 0.00 C ATOM 1277 CD1 LEU A 79 -5.313 0.310 13.733 1.00 0.00 C ATOM 1278 CD2 LEU A 79 -3.751 -1.023 12.294 1.00 0.00 C ATOM 0 H LEU A 79 -5.948 -3.478 13.590 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.877 -3.004 16.286 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.833 -1.063 15.276 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.489 -2.482 14.307 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.662 -1.653 12.986 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.690 0.803 12.837 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.113 0.234 14.469 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.491 0.893 14.149 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.149 -0.509 11.419 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.883 -0.481 12.669 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.454 -2.035 12.017 1.00 0.00 H new ATOM 1290 N GLN A 80 -6.155 -0.685 16.658 1.00 0.00 N ATOM 1291 CA GLN A 80 -7.154 0.265 17.140 1.00 0.00 C ATOM 1292 C GLN A 80 -6.571 1.670 17.228 1.00 0.00 C ATOM 1293 O GLN A 80 -5.555 1.888 17.887 1.00 0.00 O ATOM 1294 CB GLN A 80 -7.682 -0.162 18.513 1.00 0.00 C ATOM 1295 CG GLN A 80 -6.599 -0.673 19.449 1.00 0.00 C ATOM 1296 CD GLN A 80 -6.815 -2.113 19.875 1.00 0.00 C ATOM 1297 OE1 GLN A 80 -7.265 -2.946 19.090 1.00 0.00 O ATOM 1298 NE2 GLN A 80 -6.489 -2.411 21.128 1.00 0.00 N ATOM 0 H GLN A 80 -5.216 -0.531 17.025 1.00 0.00 H new ATOM 0 HA GLN A 80 -7.979 0.273 16.427 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -8.184 0.686 18.980 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.432 -0.942 18.378 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -5.630 -0.587 18.956 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -6.563 -0.039 20.335 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -6.119 -1.688 21.745 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -6.609 -3.363 21.473 1.00 0.00 H new ATOM 1307 N GLY A 81 -7.220 2.624 16.566 1.00 0.00 N ATOM 1308 CA GLY A 81 -6.737 3.991 16.598 1.00 0.00 C ATOM 1309 C GLY A 81 -7.584 4.944 15.777 1.00 0.00 C ATOM 1310 O GLY A 81 -8.797 5.030 15.964 1.00 0.00 O ATOM 0 H GLY A 81 -8.064 2.476 16.013 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.712 4.336 17.632 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.712 4.016 16.228 1.00 0.00 H new ATOM 1314 N LYS A 82 -6.937 5.664 14.865 1.00 0.00 N ATOM 1315 CA LYS A 82 -7.626 6.618 14.008 1.00 0.00 C ATOM 1316 C LYS A 82 -7.440 6.269 12.530 1.00 0.00 C ATOM 1317 O LYS A 82 -8.038 6.899 11.659 1.00 0.00 O ATOM 1318 CB LYS A 82 -7.124 8.035 14.284 1.00 0.00 C ATOM 1319 CG LYS A 82 -7.437 8.523 15.690 1.00 0.00 C ATOM 1320 CD LYS A 82 -7.595 10.034 15.736 1.00 0.00 C ATOM 1321 CE LYS A 82 -7.838 10.527 17.156 1.00 0.00 C ATOM 1322 NZ LYS A 82 -6.900 11.621 17.532 1.00 0.00 N ATOM 0 H LYS A 82 -5.932 5.603 14.702 1.00 0.00 H new ATOM 0 HA LYS A 82 -8.691 6.568 14.235 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -6.046 8.067 14.128 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -7.571 8.718 13.562 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.353 8.050 16.044 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -6.639 8.219 16.367 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -6.699 10.507 15.334 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -8.427 10.333 15.098 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -8.865 10.882 17.246 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -7.725 9.697 17.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -7.098 11.929 18.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -5.921 11.275 17.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -7.025 12.424 16.883 1.00 0.00 H new ATOM 1336 N PHE A 83 -6.627 5.248 12.252 1.00 0.00 N ATOM 1337 CA PHE A 83 -6.392 4.805 10.880 1.00 0.00 C ATOM 1338 C PHE A 83 -7.523 3.879 10.431 1.00 0.00 C ATOM 1339 O PHE A 83 -7.282 2.810 9.869 1.00 0.00 O ATOM 1340 CB PHE A 83 -5.043 4.084 10.778 1.00 0.00 C ATOM 1341 CG PHE A 83 -4.057 4.792 9.896 1.00 0.00 C ATOM 1342 CD1 PHE A 83 -3.436 5.952 10.322 1.00 0.00 C ATOM 1343 CD2 PHE A 83 -3.760 4.304 8.638 1.00 0.00 C ATOM 1344 CE1 PHE A 83 -2.533 6.610 9.509 1.00 0.00 C ATOM 1345 CE2 PHE A 83 -2.861 4.956 7.820 1.00 0.00 C ATOM 1346 CZ PHE A 83 -2.246 6.111 8.255 1.00 0.00 C ATOM 0 H PHE A 83 -6.122 4.714 12.959 1.00 0.00 H new ATOM 0 HA PHE A 83 -6.369 5.677 10.226 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.618 3.980 11.776 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -5.205 3.077 10.394 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.659 6.348 11.302 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -4.238 3.400 8.291 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.053 7.513 9.855 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.639 4.562 6.839 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.542 6.623 7.616 1.00 0.00 H new ATOM 1356 N THR A 84 -8.761 4.294 10.696 1.00 0.00 N ATOM 1357 CA THR A 84 -9.928 3.501 10.334 1.00 0.00 C ATOM 1358 C THR A 84 -10.213 3.612 8.841 1.00 0.00 C ATOM 1359 O THR A 84 -11.201 4.214 8.421 1.00 0.00 O ATOM 1360 CB THR A 84 -11.141 3.946 11.157 1.00 0.00 C ATOM 1361 OG1 THR A 84 -10.953 5.256 11.661 1.00 0.00 O ATOM 1362 CG2 THR A 84 -11.423 3.041 12.340 1.00 0.00 C ATOM 0 H THR A 84 -8.979 5.176 11.160 1.00 0.00 H new ATOM 0 HA THR A 84 -9.723 2.454 10.558 1.00 0.00 H new ATOM 0 HB THR A 84 -11.987 3.903 10.471 1.00 0.00 H new ATOM 0 HG1 THR A 84 -11.200 5.909 10.974 1.00 0.00 H new ATOM 0 HG21 THR A 84 -12.294 3.411 12.881 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.619 2.029 11.985 1.00 0.00 H new ATOM 0 HG23 THR A 84 -10.559 3.032 13.005 1.00 0.00 H new ATOM 1370 N HIS A 85 -9.323 3.023 8.048 1.00 0.00 N ATOM 1371 CA HIS A 85 -9.436 3.036 6.594 1.00 0.00 C ATOM 1372 C HIS A 85 -9.723 4.441 6.071 1.00 0.00 C ATOM 1373 O HIS A 85 -10.465 4.617 5.105 1.00 0.00 O ATOM 1374 CB HIS A 85 -10.545 2.077 6.152 1.00 0.00 C ATOM 1375 CG HIS A 85 -10.489 1.715 4.702 1.00 0.00 C ATOM 1376 ND1 HIS A 85 -9.331 1.756 3.961 1.00 0.00 N ATOM 1377 CD2 HIS A 85 -11.463 1.311 3.855 1.00 0.00 C ATOM 1378 CE1 HIS A 85 -9.592 1.396 2.718 1.00 0.00 C ATOM 1379 NE2 HIS A 85 -10.881 1.119 2.626 1.00 0.00 N ATOM 0 H HIS A 85 -8.504 2.524 8.395 1.00 0.00 H new ATOM 0 HA HIS A 85 -8.483 2.710 6.177 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -10.483 1.166 6.747 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -11.512 2.532 6.366 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -12.505 1.166 4.100 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -8.874 1.338 1.913 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -11.364 0.813 1.781 1.00 0.00 H new ATOM 1387 N PHE A 86 -9.106 5.434 6.703 1.00 0.00 N ATOM 1388 CA PHE A 86 -9.267 6.825 6.291 1.00 0.00 C ATOM 1389 C PHE A 86 -8.178 7.225 5.304 1.00 0.00 C ATOM 1390 O PHE A 86 -8.386 7.217 4.091 1.00 0.00 O ATOM 1391 CB PHE A 86 -9.259 7.756 7.505 1.00 0.00 C ATOM 1392 CG PHE A 86 -10.638 8.133 7.960 1.00 0.00 C ATOM 1393 CD1 PHE A 86 -11.352 7.299 8.801 1.00 0.00 C ATOM 1394 CD2 PHE A 86 -11.222 9.319 7.542 1.00 0.00 C ATOM 1395 CE1 PHE A 86 -12.623 7.638 9.222 1.00 0.00 C ATOM 1396 CE2 PHE A 86 -12.494 9.664 7.959 1.00 0.00 C ATOM 1397 CZ PHE A 86 -13.196 8.822 8.800 1.00 0.00 C ATOM 0 H PHE A 86 -8.489 5.301 7.504 1.00 0.00 H new ATOM 0 HA PHE A 86 -10.232 6.920 5.794 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -8.731 7.270 8.326 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -8.703 8.661 7.259 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -10.910 6.371 9.133 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -10.678 9.980 6.884 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -13.168 6.978 9.880 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -12.939 10.591 7.628 1.00 0.00 H new ATOM 0 HZ PHE A 86 -14.190 9.089 9.127 1.00 0.00 H new ATOM 1407 N LEU A 87 -7.010 7.571 5.843 1.00 0.00 N ATOM 1408 CA LEU A 87 -5.872 7.975 5.028 1.00 0.00 C ATOM 1409 C LEU A 87 -5.419 6.826 4.134 1.00 0.00 C ATOM 1410 O LEU A 87 -4.923 7.045 3.028 1.00 0.00 O ATOM 1411 CB LEU A 87 -4.715 8.435 5.924 1.00 0.00 C ATOM 1412 CG LEU A 87 -4.427 9.940 5.912 1.00 0.00 C ATOM 1413 CD1 LEU A 87 -4.288 10.454 4.485 1.00 0.00 C ATOM 1414 CD2 LEU A 87 -5.517 10.702 6.654 1.00 0.00 C ATOM 0 H LEU A 87 -6.829 7.579 6.847 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.179 8.807 4.394 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.930 8.132 6.949 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.811 7.908 5.619 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.481 10.108 6.427 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.084 11.525 4.502 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.467 9.936 3.990 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.214 10.270 3.940 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.293 11.769 6.634 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.478 10.523 6.172 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.561 10.360 7.688 1.00 0.00 H new ATOM 1426 N ILE A 88 -5.594 5.597 4.619 1.00 0.00 N ATOM 1427 CA ILE A 88 -5.203 4.413 3.859 1.00 0.00 C ATOM 1428 C ILE A 88 -5.871 4.407 2.488 1.00 0.00 C ATOM 1429 O ILE A 88 -5.205 4.443 1.454 1.00 0.00 O ATOM 1430 CB ILE A 88 -5.608 3.120 4.600 1.00 0.00 C ATOM 1431 CG1 ILE A 88 -5.017 3.089 6.014 1.00 0.00 C ATOM 1432 CG2 ILE A 88 -5.182 1.892 3.810 1.00 0.00 C ATOM 1433 CD1 ILE A 88 -5.345 1.817 6.769 1.00 0.00 C ATOM 0 H ILE A 88 -6.003 5.397 5.532 1.00 0.00 H new ATOM 0 HA ILE A 88 -4.119 4.447 3.746 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.694 3.109 4.690 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.934 3.198 5.951 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.391 3.945 6.576 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.477 0.992 4.350 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -5.664 1.903 2.832 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.100 1.900 3.681 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.898 1.858 7.762 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.426 1.718 6.862 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.947 0.959 6.227 1.00 0.00 H new ATOM 1445 N ASN A 89 -7.196 4.340 2.502 1.00 0.00 N ATOM 1446 CA ASN A 89 -7.983 4.307 1.275 1.00 0.00 C ATOM 1447 C ASN A 89 -7.667 5.496 0.373 1.00 0.00 C ATOM 1448 O ASN A 89 -7.427 5.333 -0.821 1.00 0.00 O ATOM 1449 CB ASN A 89 -9.472 4.310 1.612 1.00 0.00 C ATOM 1450 CG ASN A 89 -10.313 3.689 0.515 1.00 0.00 C ATOM 1451 OD1 ASN A 89 -10.107 2.538 0.132 1.00 0.00 O ATOM 1452 ND2 ASN A 89 -11.267 4.457 0.003 1.00 0.00 N ATOM 0 H ASN A 89 -7.752 4.307 3.356 1.00 0.00 H new ATOM 0 HA ASN A 89 -7.723 3.394 0.740 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -9.632 3.765 2.542 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.801 5.335 1.783 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -11.867 4.098 -0.740 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -11.401 5.406 0.353 1.00 0.00 H new ATOM 1459 N GLU A 90 -7.679 6.687 0.954 1.00 0.00 N ATOM 1460 CA GLU A 90 -7.406 7.911 0.206 1.00 0.00 C ATOM 1461 C GLU A 90 -6.074 7.828 -0.529 1.00 0.00 C ATOM 1462 O GLU A 90 -5.999 8.061 -1.735 1.00 0.00 O ATOM 1463 CB GLU A 90 -7.394 9.113 1.147 1.00 0.00 C ATOM 1464 CG GLU A 90 -7.460 10.444 0.422 1.00 0.00 C ATOM 1465 CD GLU A 90 -8.081 11.536 1.268 1.00 0.00 C ATOM 1466 OE1 GLU A 90 -9.163 11.293 1.845 1.00 0.00 O ATOM 1467 OE2 GLU A 90 -7.488 12.630 1.357 1.00 0.00 O ATOM 0 H GLU A 90 -7.875 6.834 1.944 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.199 8.031 -0.532 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.239 9.038 1.832 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.489 9.082 1.753 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.454 10.744 0.128 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.038 10.326 -0.495 1.00 0.00 H new ATOM 1474 N ARG A 91 -5.027 7.507 0.214 1.00 0.00 N ATOM 1475 CA ARG A 91 -3.688 7.405 -0.346 1.00 0.00 C ATOM 1476 C ARG A 91 -3.603 6.311 -1.401 1.00 0.00 C ATOM 1477 O ARG A 91 -3.102 6.535 -2.502 1.00 0.00 O ATOM 1478 CB ARG A 91 -2.688 7.120 0.766 1.00 0.00 C ATOM 1479 CG ARG A 91 -1.980 8.361 1.268 1.00 0.00 C ATOM 1480 CD ARG A 91 -0.521 8.370 0.852 1.00 0.00 C ATOM 1481 NE ARG A 91 0.367 8.413 2.009 1.00 0.00 N ATOM 1482 CZ ARG A 91 1.276 9.358 2.208 1.00 0.00 C ATOM 1483 NH1 ARG A 91 1.437 10.328 1.321 1.00 0.00 N ATOM 1484 NH2 ARG A 91 2.028 9.335 3.299 1.00 0.00 N ATOM 0 H ARG A 91 -5.079 7.311 1.214 1.00 0.00 H new ATOM 0 HA ARG A 91 -3.452 8.355 -0.826 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.207 6.644 1.598 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.946 6.408 0.404 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -2.477 9.249 0.877 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -2.051 8.408 2.355 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -0.305 7.481 0.260 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.329 9.232 0.213 1.00 0.00 H new ATOM 0 HE ARG A 91 0.284 7.673 2.706 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.860 10.351 0.480 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.138 11.052 1.479 1.00 0.00 H new ATOM 0 HH21 ARG A 91 1.908 8.590 3.986 1.00 0.00 H new ATOM 0 HH22 ARG A 91 2.727 10.062 3.452 1.00 0.00 H new ATOM 1498 N ILE A 92 -4.080 5.124 -1.054 1.00 0.00 N ATOM 1499 CA ILE A 92 -4.042 3.998 -1.972 1.00 0.00 C ATOM 1500 C ILE A 92 -4.781 4.325 -3.267 1.00 0.00 C ATOM 1501 O ILE A 92 -4.207 4.257 -4.350 1.00 0.00 O ATOM 1502 CB ILE A 92 -4.657 2.738 -1.325 1.00 0.00 C ATOM 1503 CG1 ILE A 92 -3.748 2.237 -0.202 1.00 0.00 C ATOM 1504 CG2 ILE A 92 -4.883 1.645 -2.363 1.00 0.00 C ATOM 1505 CD1 ILE A 92 -4.389 1.195 0.682 1.00 0.00 C ATOM 0 H ILE A 92 -4.496 4.917 -0.146 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.996 3.799 -2.205 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.628 3.001 -0.905 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.841 1.820 -0.640 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.445 3.085 0.413 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -5.317 0.769 -1.881 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -5.563 2.009 -3.133 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.931 1.374 -2.819 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.683 0.889 1.454 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -5.280 1.613 1.150 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.667 0.329 0.081 1.00 0.00 H new ATOM 1517 N GLU A 93 -6.053 4.694 -3.146 1.00 0.00 N ATOM 1518 CA GLU A 93 -6.863 5.038 -4.308 1.00 0.00 C ATOM 1519 C GLU A 93 -6.238 6.198 -5.078 1.00 0.00 C ATOM 1520 O GLU A 93 -6.431 6.335 -6.283 1.00 0.00 O ATOM 1521 CB GLU A 93 -8.289 5.397 -3.874 1.00 0.00 C ATOM 1522 CG GLU A 93 -9.337 4.396 -4.336 1.00 0.00 C ATOM 1523 CD GLU A 93 -9.837 3.511 -3.211 1.00 0.00 C ATOM 1524 OE1 GLU A 93 -9.184 2.486 -2.925 1.00 0.00 O ATOM 1525 OE2 GLU A 93 -10.884 3.842 -2.616 1.00 0.00 O ATOM 0 H GLU A 93 -6.544 4.762 -2.255 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.903 4.170 -4.967 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -8.322 5.469 -2.787 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.542 6.382 -4.266 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -10.179 4.933 -4.772 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -8.915 3.772 -5.124 1.00 0.00 H new ATOM 1532 N ASP A 94 -5.481 7.029 -4.375 1.00 0.00 N ATOM 1533 CA ASP A 94 -4.829 8.168 -5.002 1.00 0.00 C ATOM 1534 C ASP A 94 -3.743 7.711 -5.971 1.00 0.00 C ATOM 1535 O ASP A 94 -3.621 8.250 -7.068 1.00 0.00 O ATOM 1536 CB ASP A 94 -4.228 9.088 -3.940 1.00 0.00 C ATOM 1537 CG ASP A 94 -5.230 10.095 -3.411 1.00 0.00 C ATOM 1538 OD1 ASP A 94 -6.091 10.545 -4.197 1.00 0.00 O ATOM 1539 OD2 ASP A 94 -5.154 10.432 -2.211 1.00 0.00 O ATOM 0 H ASP A 94 -5.304 6.936 -3.375 1.00 0.00 H new ATOM 0 HA ASP A 94 -5.582 8.719 -5.565 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -3.852 8.486 -3.113 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -3.374 9.617 -4.363 1.00 0.00 H new ATOM 1544 N TYR A 95 -2.954 6.721 -5.558 1.00 0.00 N ATOM 1545 CA TYR A 95 -1.876 6.197 -6.394 1.00 0.00 C ATOM 1546 C TYR A 95 -2.373 5.094 -7.330 1.00 0.00 C ATOM 1547 O TYR A 95 -2.258 5.209 -8.551 1.00 0.00 O ATOM 1548 CB TYR A 95 -0.722 5.682 -5.527 1.00 0.00 C ATOM 1549 CG TYR A 95 0.481 6.604 -5.503 1.00 0.00 C ATOM 1550 CD1 TYR A 95 0.987 7.154 -6.676 1.00 0.00 C ATOM 1551 CD2 TYR A 95 1.110 6.926 -4.304 1.00 0.00 C ATOM 1552 CE1 TYR A 95 2.085 7.995 -6.654 1.00 0.00 C ATOM 1553 CE2 TYR A 95 2.208 7.766 -4.277 1.00 0.00 C ATOM 1554 CZ TYR A 95 2.691 8.298 -5.454 1.00 0.00 C ATOM 1555 OH TYR A 95 3.783 9.133 -5.428 1.00 0.00 O ATOM 0 H TYR A 95 -3.041 6.266 -4.649 1.00 0.00 H new ATOM 0 HA TYR A 95 -1.512 7.018 -7.012 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -1.080 5.540 -4.507 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -0.412 4.704 -5.894 1.00 0.00 H new ATOM 0 HD1 TYR A 95 0.515 6.921 -7.619 1.00 0.00 H new ATOM 0 HD2 TYR A 95 0.734 6.513 -3.379 1.00 0.00 H new ATOM 0 HE1 TYR A 95 2.466 8.413 -7.574 1.00 0.00 H new ATOM 0 HE2 TYR A 95 2.685 8.004 -3.338 1.00 0.00 H new ATOM 0 HH TYR A 95 4.088 9.244 -4.503 1.00 0.00 H new ATOM 1565 N VAL A 96 -2.920 4.022 -6.756 1.00 0.00 N ATOM 1566 CA VAL A 96 -3.422 2.909 -7.556 1.00 0.00 C ATOM 1567 C VAL A 96 -4.494 3.381 -8.535 1.00 0.00 C ATOM 1568 O VAL A 96 -4.546 2.926 -9.677 1.00 0.00 O ATOM 1569 CB VAL A 96 -3.972 1.757 -6.674 1.00 0.00 C ATOM 1570 CG1 VAL A 96 -5.307 2.111 -6.021 1.00 0.00 C ATOM 1571 CG2 VAL A 96 -4.098 0.479 -7.490 1.00 0.00 C ATOM 0 H VAL A 96 -3.025 3.903 -5.749 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.575 2.518 -8.120 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.256 1.597 -5.868 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.649 1.272 -5.415 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.181 2.989 -5.388 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.045 2.325 -6.794 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.485 -0.320 -6.857 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -4.781 0.645 -8.323 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.119 0.195 -7.875 1.00 0.00 H new ATOM 1581 N ASN A 97 -5.336 4.311 -8.089 1.00 0.00 N ATOM 1582 CA ASN A 97 -6.389 4.859 -8.934 1.00 0.00 C ATOM 1583 C ASN A 97 -6.081 6.318 -9.274 1.00 0.00 C ATOM 1584 O ASN A 97 -6.942 7.189 -9.147 1.00 0.00 O ATOM 1585 CB ASN A 97 -7.750 4.744 -8.230 1.00 0.00 C ATOM 1586 CG ASN A 97 -8.925 4.887 -9.181 1.00 0.00 C ATOM 1587 OD1 ASN A 97 -8.967 4.259 -10.238 1.00 0.00 O ATOM 1588 ND2 ASN A 97 -9.891 5.719 -8.801 1.00 0.00 N ATOM 0 H ASN A 97 -5.308 4.700 -7.146 1.00 0.00 H new ATOM 0 HA ASN A 97 -6.433 4.287 -9.861 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -7.812 3.779 -7.727 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -7.819 5.510 -7.458 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -10.709 5.857 -9.395 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -9.814 6.219 -7.915 1.00 0.00 H new ATOM 1595 N LYS A 98 -4.844 6.576 -9.702 1.00 0.00 N ATOM 1596 CA LYS A 98 -4.422 7.931 -10.057 1.00 0.00 C ATOM 1597 C LYS A 98 -4.837 8.284 -11.486 1.00 0.00 C ATOM 1598 O LYS A 98 -4.749 9.438 -11.903 1.00 0.00 O ATOM 1599 CB LYS A 98 -2.905 8.094 -9.894 1.00 0.00 C ATOM 1600 CG LYS A 98 -2.083 7.121 -10.721 1.00 0.00 C ATOM 1601 CD LYS A 98 -1.388 7.825 -11.876 1.00 0.00 C ATOM 1602 CE LYS A 98 -0.140 7.077 -12.319 1.00 0.00 C ATOM 1603 NZ LYS A 98 1.029 7.364 -11.440 1.00 0.00 N ATOM 0 H LYS A 98 -4.119 5.867 -9.811 1.00 0.00 H new ATOM 0 HA LYS A 98 -4.922 8.618 -9.374 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -2.628 9.112 -10.169 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.648 7.967 -8.842 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.339 6.639 -10.086 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.730 6.334 -11.109 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.077 7.914 -12.716 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -1.119 8.838 -11.576 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -0.340 6.006 -12.316 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.102 7.353 -13.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 1.857 6.833 -11.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.238 8.383 -11.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 0.809 7.077 -10.465 1.00 0.00 H new ATOM 1617 N PHE A 99 -5.286 7.278 -12.232 1.00 0.00 N ATOM 1618 CA PHE A 99 -5.709 7.464 -13.618 1.00 0.00 C ATOM 1619 C PHE A 99 -6.999 8.280 -13.709 1.00 0.00 C ATOM 1620 O PHE A 99 -7.045 9.308 -14.385 1.00 0.00 O ATOM 1621 CB PHE A 99 -5.898 6.091 -14.274 1.00 0.00 C ATOM 1622 CG PHE A 99 -6.525 6.120 -15.643 1.00 0.00 C ATOM 1623 CD1 PHE A 99 -5.801 6.534 -16.751 1.00 0.00 C ATOM 1624 CD2 PHE A 99 -7.837 5.711 -15.821 1.00 0.00 C ATOM 1625 CE1 PHE A 99 -6.375 6.540 -18.009 1.00 0.00 C ATOM 1626 CE2 PHE A 99 -8.415 5.714 -17.076 1.00 0.00 C ATOM 1627 CZ PHE A 99 -7.684 6.129 -18.170 1.00 0.00 C ATOM 0 H PHE A 99 -5.367 6.318 -11.897 1.00 0.00 H new ATOM 0 HA PHE A 99 -4.935 8.023 -14.145 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.926 5.603 -14.346 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -6.516 5.475 -13.621 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.777 6.855 -16.630 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.415 5.386 -14.968 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.801 6.865 -18.864 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -9.438 5.392 -17.200 1.00 0.00 H new ATOM 0 HZ PHE A 99 -8.135 6.133 -19.151 1.00 0.00 H new ATOM 1637 N VAL A 100 -8.046 7.807 -13.040 1.00 0.00 N ATOM 1638 CA VAL A 100 -9.339 8.484 -13.068 1.00 0.00 C ATOM 1639 C VAL A 100 -9.461 9.566 -11.990 1.00 0.00 C ATOM 1640 O VAL A 100 -10.489 10.235 -11.894 1.00 0.00 O ATOM 1641 CB VAL A 100 -10.496 7.474 -12.921 1.00 0.00 C ATOM 1642 CG1 VAL A 100 -10.461 6.804 -11.558 1.00 0.00 C ATOM 1643 CG2 VAL A 100 -11.836 8.151 -13.160 1.00 0.00 C ATOM 0 H VAL A 100 -8.025 6.959 -12.473 1.00 0.00 H new ATOM 0 HA VAL A 100 -9.406 8.974 -14.040 1.00 0.00 H new ATOM 0 HB VAL A 100 -10.369 6.700 -13.678 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -11.287 6.097 -11.479 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -9.516 6.274 -11.437 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -10.555 7.560 -10.778 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -12.637 7.420 -13.051 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -11.974 8.952 -12.433 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -11.859 8.567 -14.167 1.00 0.00 H new ATOM 1653 N ILE A 101 -8.413 9.754 -11.193 1.00 0.00 N ATOM 1654 CA ILE A 101 -8.436 10.778 -10.152 1.00 0.00 C ATOM 1655 C ILE A 101 -7.497 11.932 -10.522 1.00 0.00 C ATOM 1656 O ILE A 101 -7.872 13.100 -10.424 1.00 0.00 O ATOM 1657 CB ILE A 101 -8.071 10.191 -8.764 1.00 0.00 C ATOM 1658 CG1 ILE A 101 -8.585 11.098 -7.634 1.00 0.00 C ATOM 1659 CG2 ILE A 101 -6.575 9.960 -8.648 1.00 0.00 C ATOM 1660 CD1 ILE A 101 -7.676 12.265 -7.306 1.00 0.00 C ATOM 0 H ILE A 101 -7.547 9.218 -11.246 1.00 0.00 H new ATOM 0 HA ILE A 101 -9.453 11.163 -10.082 1.00 0.00 H new ATOM 0 HB ILE A 101 -8.564 9.224 -8.665 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -9.566 11.484 -7.912 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -8.722 10.496 -6.736 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -6.346 9.548 -7.665 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -6.254 9.260 -9.419 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -6.050 10.906 -8.776 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -8.114 12.852 -6.499 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -6.701 11.890 -6.994 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -7.558 12.893 -8.189 1.00 0.00 H new ATOM 1672 N CYS A 102 -6.274 11.599 -10.945 1.00 0.00 N ATOM 1673 CA CYS A 102 -5.284 12.609 -11.324 1.00 0.00 C ATOM 1674 C CYS A 102 -5.435 13.037 -12.788 1.00 0.00 C ATOM 1675 O CYS A 102 -4.449 13.364 -13.447 1.00 0.00 O ATOM 1676 CB CYS A 102 -3.865 12.074 -11.100 1.00 0.00 C ATOM 1677 SG CYS A 102 -2.574 13.339 -11.167 1.00 0.00 S ATOM 0 H CYS A 102 -5.947 10.637 -11.033 1.00 0.00 H new ATOM 0 HA CYS A 102 -5.457 13.481 -10.693 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -3.824 11.581 -10.129 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -3.653 11.314 -11.852 1.00 0.00 H new ATOM 0 HG CYS A 102 -2.882 14.226 -12.066 1.00 0.00 H new ATOM 1682 N HIS A 103 -6.666 13.034 -13.292 1.00 0.00 N ATOM 1683 CA HIS A 103 -6.930 13.423 -14.677 1.00 0.00 C ATOM 1684 C HIS A 103 -6.012 12.683 -15.646 1.00 0.00 C ATOM 1685 O HIS A 103 -5.437 13.279 -16.555 1.00 0.00 O ATOM 1686 CB HIS A 103 -6.759 14.934 -14.850 1.00 0.00 C ATOM 1687 CG HIS A 103 -7.663 15.745 -13.976 1.00 0.00 C ATOM 1688 ND1 HIS A 103 -7.290 16.950 -13.422 1.00 0.00 N ATOM 1689 CD2 HIS A 103 -8.934 15.522 -13.565 1.00 0.00 C ATOM 1690 CE1 HIS A 103 -8.287 17.434 -12.707 1.00 0.00 C ATOM 1691 NE2 HIS A 103 -9.298 16.588 -12.778 1.00 0.00 N ATOM 0 H HIS A 103 -7.497 12.767 -12.764 1.00 0.00 H new ATOM 0 HA HIS A 103 -7.960 13.150 -14.906 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -5.724 15.201 -14.634 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -6.945 15.195 -15.892 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -6.382 17.399 -13.546 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -9.547 14.667 -13.810 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -8.278 18.364 -12.157 1.00 0.00 H new ATOM 1699 N GLU A 104 -5.879 11.377 -15.440 1.00 0.00 N ATOM 1700 CA GLU A 104 -5.033 10.546 -16.291 1.00 0.00 C ATOM 1701 C GLU A 104 -3.659 11.177 -16.491 1.00 0.00 C ATOM 1702 O GLU A 104 -3.333 11.647 -17.581 1.00 0.00 O ATOM 1703 CB GLU A 104 -5.705 10.306 -17.651 1.00 0.00 C ATOM 1704 CG GLU A 104 -4.800 9.649 -18.691 1.00 0.00 C ATOM 1705 CD GLU A 104 -4.989 10.225 -20.081 1.00 0.00 C ATOM 1706 OE1 GLU A 104 -5.916 9.776 -20.788 1.00 0.00 O ATOM 1707 OE2 GLU A 104 -4.208 11.120 -20.464 1.00 0.00 O ATOM 0 H GLU A 104 -6.347 10.870 -14.689 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.898 9.588 -15.789 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.584 9.679 -17.503 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.056 11.260 -18.043 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -3.760 9.772 -18.390 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -5.001 8.578 -18.716 1.00 0.00 H new ATOM 1714 N CYS A 105 -2.847 11.175 -15.445 1.00 0.00 N ATOM 1715 CA CYS A 105 -1.505 11.729 -15.534 1.00 0.00 C ATOM 1716 C CYS A 105 -0.562 10.751 -16.235 1.00 0.00 C ATOM 1717 O CYS A 105 0.580 10.567 -15.809 1.00 0.00 O ATOM 1718 CB CYS A 105 -0.972 12.074 -14.144 1.00 0.00 C ATOM 1719 SG CYS A 105 -0.147 13.678 -14.060 1.00 0.00 S ATOM 0 H CYS A 105 -3.092 10.798 -14.529 1.00 0.00 H new ATOM 0 HA CYS A 105 -1.555 12.644 -16.124 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -1.799 12.063 -13.434 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -0.273 11.299 -13.830 1.00 0.00 H new ATOM 0 HG CYS A 105 -1.015 14.597 -13.757 1.00 0.00 H new ATOM 1724 N ASN A 106 -1.033 10.137 -17.319 1.00 0.00 N ATOM 1725 CA ASN A 106 -0.222 9.197 -18.080 1.00 0.00 C ATOM 1726 C ASN A 106 0.842 9.940 -18.879 1.00 0.00 C ATOM 1727 O ASN A 106 2.029 9.886 -18.561 1.00 0.00 O ATOM 1728 CB ASN A 106 -1.101 8.367 -19.021 1.00 0.00 C ATOM 1729 CG ASN A 106 -1.509 7.037 -18.417 1.00 0.00 C ATOM 1730 OD1 ASN A 106 -0.960 5.990 -18.764 1.00 0.00 O ATOM 1731 ND2 ASN A 106 -2.477 7.069 -17.510 1.00 0.00 N ATOM 0 H ASN A 106 -1.974 10.276 -17.688 1.00 0.00 H new ATOM 0 HA ASN A 106 0.271 8.524 -17.379 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -1.995 8.937 -19.273 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -0.563 8.189 -19.952 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -2.793 6.204 -17.071 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -2.905 7.958 -17.252 1.00 0.00 H new ATOM 1738 N ARG A 107 0.402 10.633 -19.925 1.00 0.00 N ATOM 1739 CA ARG A 107 1.307 11.388 -20.782 1.00 0.00 C ATOM 1740 C ARG A 107 1.765 12.671 -20.094 1.00 0.00 C ATOM 1741 O ARG A 107 1.011 13.270 -19.330 1.00 0.00 O ATOM 1742 CB ARG A 107 0.619 11.734 -22.103 1.00 0.00 C ATOM 1743 CG ARG A 107 0.633 10.603 -23.118 1.00 0.00 C ATOM 1744 CD ARG A 107 2.051 10.235 -23.527 1.00 0.00 C ATOM 1745 NE ARG A 107 2.230 8.787 -23.616 1.00 0.00 N ATOM 1746 CZ ARG A 107 2.725 8.157 -24.681 1.00 0.00 C ATOM 1747 NH1 ARG A 107 3.125 8.838 -25.749 1.00 0.00 N ATOM 1748 NH2 ARG A 107 2.827 6.834 -24.674 1.00 0.00 N ATOM 0 H ARG A 107 -0.579 10.687 -20.199 1.00 0.00 H new ATOM 0 HA ARG A 107 2.180 10.766 -20.980 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -0.415 12.015 -21.901 1.00 0.00 H new ATOM 0 HB3 ARG A 107 1.107 12.606 -22.538 1.00 0.00 H new ATOM 0 HG2 ARG A 107 0.137 9.729 -22.696 1.00 0.00 H new ATOM 0 HG3 ARG A 107 0.064 10.898 -24.000 1.00 0.00 H new ATOM 0 HD2 ARG A 107 2.281 10.690 -24.490 1.00 0.00 H new ATOM 0 HD3 ARG A 107 2.756 10.645 -22.804 1.00 0.00 H new ATOM 0 HE ARG A 107 1.959 8.222 -22.811 1.00 0.00 H new ATOM 0 HH11 ARG A 107 3.055 9.856 -25.761 1.00 0.00 H new ATOM 0 HH12 ARG A 107 3.502 8.343 -26.557 1.00 0.00 H new ATOM 0 HH21 ARG A 107 2.527 6.304 -23.856 1.00 0.00 H new ATOM 0 HH22 ARG A 107 3.205 6.347 -25.487 1.00 0.00 H new ATOM 1762 N PRO A 108 3.014 13.106 -20.359 1.00 0.00 N ATOM 1763 CA PRO A 108 3.575 14.328 -19.765 1.00 0.00 C ATOM 1764 C PRO A 108 2.757 15.574 -20.102 1.00 0.00 C ATOM 1765 O PRO A 108 3.227 16.471 -20.801 1.00 0.00 O ATOM 1766 CB PRO A 108 4.974 14.425 -20.389 1.00 0.00 C ATOM 1767 CG PRO A 108 5.291 13.043 -20.843 1.00 0.00 C ATOM 1768 CD PRO A 108 3.978 12.439 -21.252 1.00 0.00 C ATOM 0 HA PRO A 108 3.581 14.278 -18.676 1.00 0.00 H new ATOM 0 HB2 PRO A 108 4.986 15.127 -21.223 1.00 0.00 H new ATOM 0 HB3 PRO A 108 5.706 14.780 -19.663 1.00 0.00 H new ATOM 0 HG2 PRO A 108 5.993 13.056 -21.677 1.00 0.00 H new ATOM 0 HG3 PRO A 108 5.756 12.465 -20.044 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.755 12.631 -22.302 1.00 0.00 H new ATOM 0 HD3 PRO A 108 3.972 11.357 -21.117 1.00 0.00 H new ATOM 1776 N ASP A 109 1.534 15.622 -19.589 1.00 0.00 N ATOM 1777 CA ASP A 109 0.645 16.756 -19.815 1.00 0.00 C ATOM 1778 C ASP A 109 0.817 17.794 -18.716 1.00 0.00 C ATOM 1779 O ASP A 109 0.268 18.894 -18.791 1.00 0.00 O ATOM 1780 CB ASP A 109 -0.815 16.289 -19.836 1.00 0.00 C ATOM 1781 CG ASP A 109 -1.349 16.081 -21.239 1.00 0.00 C ATOM 1782 OD1 ASP A 109 -1.256 17.022 -22.054 1.00 0.00 O ATOM 1783 OD2 ASP A 109 -1.864 14.978 -21.519 1.00 0.00 O ATOM 0 H ASP A 109 1.133 14.884 -19.010 1.00 0.00 H new ATOM 0 HA ASP A 109 0.901 17.201 -20.776 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -0.901 15.356 -19.278 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -1.434 17.025 -19.323 1.00 0.00 H new ATOM 1788 N THR A 110 1.549 17.420 -17.674 1.00 0.00 N ATOM 1789 CA THR A 110 1.760 18.293 -16.538 1.00 0.00 C ATOM 1790 C THR A 110 3.169 18.143 -15.981 1.00 0.00 C ATOM 1791 O THR A 110 3.936 17.290 -16.426 1.00 0.00 O ATOM 1792 CB THR A 110 0.741 17.953 -15.463 1.00 0.00 C ATOM 1793 OG1 THR A 110 1.144 16.809 -14.731 1.00 0.00 O ATOM 1794 CG2 THR A 110 -0.630 17.674 -16.028 1.00 0.00 C ATOM 0 H THR A 110 2.007 16.512 -17.597 1.00 0.00 H new ATOM 0 HA THR A 110 1.638 19.327 -16.861 1.00 0.00 H new ATOM 0 HB THR A 110 0.688 18.830 -14.818 1.00 0.00 H new ATOM 0 HG1 THR A 110 0.456 16.115 -14.804 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.317 17.437 -15.216 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.989 18.554 -16.562 1.00 0.00 H new ATOM 0 HG23 THR A 110 -0.575 16.830 -16.715 1.00 0.00 H new ATOM 1802 N ARG A 111 3.497 18.962 -14.988 1.00 0.00 N ATOM 1803 CA ARG A 111 4.805 18.904 -14.349 1.00 0.00 C ATOM 1804 C ARG A 111 4.766 17.936 -13.168 1.00 0.00 C ATOM 1805 O ARG A 111 4.283 18.279 -12.088 1.00 0.00 O ATOM 1806 CB ARG A 111 5.217 20.298 -13.877 1.00 0.00 C ATOM 1807 CG ARG A 111 6.170 21.003 -14.826 1.00 0.00 C ATOM 1808 CD ARG A 111 7.614 20.662 -14.506 1.00 0.00 C ATOM 1809 NE ARG A 111 8.377 20.325 -15.706 1.00 0.00 N ATOM 1810 CZ ARG A 111 9.391 19.463 -15.725 1.00 0.00 C ATOM 1811 NH1 ARG A 111 9.774 18.845 -14.612 1.00 0.00 N ATOM 1812 NH2 ARG A 111 10.026 19.216 -16.861 1.00 0.00 N ATOM 0 H ARG A 111 2.874 19.675 -14.608 1.00 0.00 H new ATOM 0 HA ARG A 111 5.539 18.547 -15.071 1.00 0.00 H new ATOM 0 HB2 ARG A 111 4.323 20.909 -13.752 1.00 0.00 H new ATOM 0 HB3 ARG A 111 5.687 20.217 -12.897 1.00 0.00 H new ATOM 0 HG2 ARG A 111 5.944 20.715 -15.853 1.00 0.00 H new ATOM 0 HG3 ARG A 111 6.024 22.081 -14.758 1.00 0.00 H new ATOM 0 HD2 ARG A 111 8.083 21.508 -14.004 1.00 0.00 H new ATOM 0 HD3 ARG A 111 7.643 19.823 -13.811 1.00 0.00 H new ATOM 0 HE ARG A 111 8.117 20.778 -16.582 1.00 0.00 H new ATOM 0 HH11 ARG A 111 9.290 19.030 -13.734 1.00 0.00 H new ATOM 0 HH12 ARG A 111 10.552 18.186 -14.637 1.00 0.00 H new ATOM 0 HH21 ARG A 111 9.738 19.686 -17.719 1.00 0.00 H new ATOM 0 HH22 ARG A 111 10.803 18.556 -16.878 1.00 0.00 H new ATOM 1826 N ILE A 112 5.263 16.719 -13.387 1.00 0.00 N ATOM 1827 CA ILE A 112 5.270 15.687 -12.348 1.00 0.00 C ATOM 1828 C ILE A 112 6.628 15.613 -11.638 1.00 0.00 C ATOM 1829 O ILE A 112 7.667 15.473 -12.282 1.00 0.00 O ATOM 1830 CB ILE A 112 4.914 14.284 -12.929 1.00 0.00 C ATOM 1831 CG1 ILE A 112 4.570 14.361 -14.421 1.00 0.00 C ATOM 1832 CG2 ILE A 112 3.752 13.674 -12.168 1.00 0.00 C ATOM 1833 CD1 ILE A 112 4.231 13.019 -15.036 1.00 0.00 C ATOM 0 H ILE A 112 5.667 16.422 -14.275 1.00 0.00 H new ATOM 0 HA ILE A 112 4.507 15.971 -11.623 1.00 0.00 H new ATOM 0 HB ILE A 112 5.794 13.651 -12.815 1.00 0.00 H new ATOM 0 HG12 ILE A 112 3.725 15.037 -14.556 1.00 0.00 H new ATOM 0 HG13 ILE A 112 5.414 14.794 -14.958 1.00 0.00 H new ATOM 0 HG21 ILE A 112 3.517 12.695 -12.586 1.00 0.00 H new ATOM 0 HG22 ILE A 112 4.022 13.564 -11.118 1.00 0.00 H new ATOM 0 HG23 ILE A 112 2.881 14.324 -12.252 1.00 0.00 H new ATOM 0 HD11 ILE A 112 3.999 13.151 -16.093 1.00 0.00 H new ATOM 0 HD12 ILE A 112 5.082 12.346 -14.933 1.00 0.00 H new ATOM 0 HD13 ILE A 112 3.368 12.592 -14.525 1.00 0.00 H new ATOM 1845 N ILE A 113 6.610 15.700 -10.303 1.00 0.00 N ATOM 1846 CA ILE A 113 7.840 15.643 -9.503 1.00 0.00 C ATOM 1847 C ILE A 113 7.644 14.789 -8.253 1.00 0.00 C ATOM 1848 O ILE A 113 6.636 14.919 -7.568 1.00 0.00 O ATOM 1849 CB ILE A 113 8.292 17.046 -9.041 1.00 0.00 C ATOM 1850 CG1 ILE A 113 8.314 18.027 -10.213 1.00 0.00 C ATOM 1851 CG2 ILE A 113 9.661 16.966 -8.377 1.00 0.00 C ATOM 1852 CD1 ILE A 113 7.211 19.060 -10.148 1.00 0.00 C ATOM 0 H ILE A 113 5.758 15.810 -9.754 1.00 0.00 H new ATOM 0 HA ILE A 113 8.600 15.205 -10.150 1.00 0.00 H new ATOM 0 HB ILE A 113 7.573 17.416 -8.310 1.00 0.00 H new ATOM 0 HG12 ILE A 113 9.278 18.535 -10.234 1.00 0.00 H new ATOM 0 HG13 ILE A 113 8.227 17.470 -11.146 1.00 0.00 H new ATOM 0 HG21 ILE A 113 9.968 17.961 -8.056 1.00 0.00 H new ATOM 0 HG22 ILE A 113 9.607 16.306 -7.511 1.00 0.00 H new ATOM 0 HG23 ILE A 113 10.388 16.574 -9.088 1.00 0.00 H new ATOM 0 HD11 ILE A 113 7.284 19.725 -11.009 1.00 0.00 H new ATOM 0 HD12 ILE A 113 6.243 18.559 -10.157 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.310 19.641 -9.231 1.00 0.00 H new ATOM 1864 N ARG A 114 8.616 13.922 -7.952 1.00 0.00 N ATOM 1865 CA ARG A 114 8.527 13.063 -6.771 1.00 0.00 C ATOM 1866 C ARG A 114 9.837 13.037 -5.991 1.00 0.00 C ATOM 1867 O ARG A 114 10.921 13.000 -6.573 1.00 0.00 O ATOM 1868 CB ARG A 114 8.134 11.633 -7.160 1.00 0.00 C ATOM 1869 CG ARG A 114 9.188 10.901 -7.977 1.00 0.00 C ATOM 1870 CD ARG A 114 9.013 11.147 -9.467 1.00 0.00 C ATOM 1871 NE ARG A 114 10.270 10.978 -10.196 1.00 0.00 N ATOM 1872 CZ ARG A 114 10.942 11.975 -10.773 1.00 0.00 C ATOM 1873 NH1 ARG A 114 10.454 13.210 -10.771 1.00 0.00 N ATOM 1874 NH2 ARG A 114 12.102 11.730 -11.368 1.00 0.00 N ATOM 0 H ARG A 114 9.464 13.798 -8.504 1.00 0.00 H new ATOM 0 HA ARG A 114 7.753 13.486 -6.130 1.00 0.00 H new ATOM 0 HB2 ARG A 114 7.932 11.063 -6.253 1.00 0.00 H new ATOM 0 HB3 ARG A 114 7.205 11.665 -7.730 1.00 0.00 H new ATOM 0 HG2 ARG A 114 10.181 11.228 -7.668 1.00 0.00 H new ATOM 0 HG3 ARG A 114 9.128 9.832 -7.775 1.00 0.00 H new ATOM 0 HD2 ARG A 114 8.267 10.459 -9.864 1.00 0.00 H new ATOM 0 HD3 ARG A 114 8.633 12.156 -9.627 1.00 0.00 H new ATOM 0 HE ARG A 114 10.657 10.037 -10.268 1.00 0.00 H new ATOM 0 HH11 ARG A 114 9.557 13.403 -10.325 1.00 0.00 H new ATOM 0 HH12 ARG A 114 10.976 13.965 -11.215 1.00 0.00 H new ATOM 0 HH21 ARG A 114 12.477 10.782 -11.383 1.00 0.00 H new ATOM 0 HH22 ARG A 114 12.619 12.490 -11.810 1.00 0.00 H new ATOM 1888 N GLU A 115 9.723 13.059 -4.664 1.00 0.00 N ATOM 1889 CA GLU A 115 10.895 13.038 -3.786 1.00 0.00 C ATOM 1890 C GLU A 115 10.674 12.101 -2.599 1.00 0.00 C ATOM 1891 O GLU A 115 9.551 11.947 -2.117 1.00 0.00 O ATOM 1892 CB GLU A 115 11.212 14.448 -3.276 1.00 0.00 C ATOM 1893 CG GLU A 115 12.421 14.508 -2.352 1.00 0.00 C ATOM 1894 CD GLU A 115 13.642 15.104 -3.022 1.00 0.00 C ATOM 1895 OE1 GLU A 115 13.496 16.124 -3.726 1.00 0.00 O ATOM 1896 OE2 GLU A 115 14.746 14.548 -2.841 1.00 0.00 O ATOM 0 H GLU A 115 8.830 13.091 -4.171 1.00 0.00 H new ATOM 0 HA GLU A 115 11.739 12.670 -4.369 1.00 0.00 H new ATOM 0 HB2 GLU A 115 11.386 15.103 -4.130 1.00 0.00 H new ATOM 0 HB3 GLU A 115 10.342 14.838 -2.747 1.00 0.00 H new ATOM 0 HG2 GLU A 115 12.171 15.099 -1.471 1.00 0.00 H new ATOM 0 HG3 GLU A 115 12.657 13.502 -2.004 1.00 0.00 H new ATOM 1903 N GLY A 116 11.752 11.479 -2.132 1.00 0.00 N ATOM 1904 CA GLY A 116 11.655 10.572 -1.004 1.00 0.00 C ATOM 1905 C GLY A 116 11.348 9.153 -1.432 1.00 0.00 C ATOM 1906 O GLY A 116 10.767 8.380 -0.670 1.00 0.00 O ATOM 0 H GLY A 116 12.691 11.587 -2.515 1.00 0.00 H new ATOM 0 HA2 GLY A 116 12.592 10.586 -0.448 1.00 0.00 H new ATOM 0 HA3 GLY A 116 10.876 10.921 -0.326 1.00 0.00 H new ATOM 1910 N ARG A 117 11.739 8.810 -2.653 1.00 0.00 N ATOM 1911 CA ARG A 117 11.503 7.475 -3.183 1.00 0.00 C ATOM 1912 C ARG A 117 10.007 7.182 -3.259 1.00 0.00 C ATOM 1913 O ARG A 117 9.496 6.311 -2.553 1.00 0.00 O ATOM 1914 CB ARG A 117 12.212 6.428 -2.318 1.00 0.00 C ATOM 1915 CG ARG A 117 13.723 6.481 -2.431 1.00 0.00 C ATOM 1916 CD ARG A 117 14.398 6.083 -1.128 1.00 0.00 C ATOM 1917 NE ARG A 117 15.785 5.681 -1.339 1.00 0.00 N ATOM 1918 CZ ARG A 117 16.740 6.510 -1.751 1.00 0.00 C ATOM 1919 NH1 ARG A 117 16.468 7.793 -1.960 1.00 0.00 N ATOM 1920 NH2 ARG A 117 17.971 6.058 -1.946 1.00 0.00 N ATOM 0 H ARG A 117 12.221 9.439 -3.295 1.00 0.00 H new ATOM 0 HA ARG A 117 11.911 7.427 -4.193 1.00 0.00 H new ATOM 0 HB2 ARG A 117 11.927 6.574 -1.276 1.00 0.00 H new ATOM 0 HB3 ARG A 117 11.868 5.435 -2.606 1.00 0.00 H new ATOM 0 HG2 ARG A 117 14.052 5.816 -3.229 1.00 0.00 H new ATOM 0 HG3 ARG A 117 14.032 7.489 -2.708 1.00 0.00 H new ATOM 0 HD2 ARG A 117 14.364 6.920 -0.430 1.00 0.00 H new ATOM 0 HD3 ARG A 117 13.847 5.262 -0.669 1.00 0.00 H new ATOM 0 HE ARG A 117 16.036 4.709 -1.160 1.00 0.00 H new ATOM 0 HH11 ARG A 117 15.524 8.146 -1.805 1.00 0.00 H new ATOM 0 HH12 ARG A 117 17.203 8.425 -2.276 1.00 0.00 H new ATOM 0 HH21 ARG A 117 18.185 5.075 -1.780 1.00 0.00 H new ATOM 0 HH22 ARG A 117 18.704 6.694 -2.262 1.00 0.00 H new ATOM 1934 N ILE A 118 9.313 7.919 -4.118 1.00 0.00 N ATOM 1935 CA ILE A 118 7.876 7.746 -4.289 1.00 0.00 C ATOM 1936 C ILE A 118 7.141 8.022 -2.980 1.00 0.00 C ATOM 1937 O ILE A 118 6.369 7.192 -2.499 1.00 0.00 O ATOM 1938 CB ILE A 118 7.536 6.323 -4.780 1.00 0.00 C ATOM 1939 CG1 ILE A 118 8.327 5.999 -6.051 1.00 0.00 C ATOM 1940 CG2 ILE A 118 6.039 6.184 -5.027 1.00 0.00 C ATOM 1941 CD1 ILE A 118 7.997 4.646 -6.649 1.00 0.00 C ATOM 0 H ILE A 118 9.723 8.643 -4.708 1.00 0.00 H new ATOM 0 HA ILE A 118 7.549 8.461 -5.044 1.00 0.00 H new ATOM 0 HB ILE A 118 7.819 5.611 -4.005 1.00 0.00 H new ATOM 0 HG12 ILE A 118 8.133 6.772 -6.795 1.00 0.00 H new ATOM 0 HG13 ILE A 118 9.392 6.035 -5.824 1.00 0.00 H new ATOM 0 HG21 ILE A 118 5.820 5.174 -5.373 1.00 0.00 H new ATOM 0 HG22 ILE A 118 5.498 6.376 -4.100 1.00 0.00 H new ATOM 0 HG23 ILE A 118 5.727 6.903 -5.785 1.00 0.00 H new ATOM 0 HD11 ILE A 118 8.597 4.488 -7.546 1.00 0.00 H new ATOM 0 HD12 ILE A 118 8.218 3.864 -5.923 1.00 0.00 H new ATOM 0 HD13 ILE A 118 6.939 4.611 -6.909 1.00 0.00 H new ATOM 1953 N SER A 119 7.386 9.199 -2.411 1.00 0.00 N ATOM 1954 CA SER A 119 6.750 9.593 -1.157 1.00 0.00 C ATOM 1955 C SER A 119 5.876 10.821 -1.365 1.00 0.00 C ATOM 1956 O SER A 119 4.748 10.888 -0.872 1.00 0.00 O ATOM 1957 CB SER A 119 7.804 9.885 -0.089 1.00 0.00 C ATOM 1958 OG SER A 119 7.200 10.308 1.122 1.00 0.00 O ATOM 0 H SER A 119 8.021 9.897 -2.798 1.00 0.00 H new ATOM 0 HA SER A 119 6.125 8.766 -0.820 1.00 0.00 H new ATOM 0 HB2 SER A 119 8.401 8.991 0.092 1.00 0.00 H new ATOM 0 HB3 SER A 119 8.486 10.656 -0.448 1.00 0.00 H new ATOM 0 HG SER A 119 7.895 10.487 1.789 1.00 0.00 H new ATOM 1964 N LEU A 120 6.397 11.782 -2.122 1.00 0.00 N ATOM 1965 CA LEU A 120 5.658 13.002 -2.422 1.00 0.00 C ATOM 1966 C LEU A 120 5.628 13.262 -3.914 1.00 0.00 C ATOM 1967 O LEU A 120 6.456 12.739 -4.661 1.00 0.00 O ATOM 1968 CB LEU A 120 6.250 14.210 -1.709 1.00 0.00 C ATOM 1969 CG LEU A 120 7.736 14.468 -1.951 1.00 0.00 C ATOM 1970 CD1 LEU A 120 7.922 15.718 -2.799 1.00 0.00 C ATOM 1971 CD2 LEU A 120 8.466 14.607 -0.622 1.00 0.00 C ATOM 0 H LEU A 120 7.327 11.739 -2.538 1.00 0.00 H new ATOM 0 HA LEU A 120 4.640 12.853 -2.061 1.00 0.00 H new ATOM 0 HB2 LEU A 120 5.693 15.096 -2.014 1.00 0.00 H new ATOM 0 HB3 LEU A 120 6.092 14.088 -0.637 1.00 0.00 H new ATOM 0 HG LEU A 120 8.159 13.621 -2.491 1.00 0.00 H new ATOM 0 HD11 LEU A 120 8.985 15.891 -2.964 1.00 0.00 H new ATOM 0 HD12 LEU A 120 7.423 15.584 -3.759 1.00 0.00 H new ATOM 0 HD13 LEU A 120 7.491 16.576 -2.282 1.00 0.00 H new ATOM 0 HD21 LEU A 120 9.525 14.791 -0.806 1.00 0.00 H new ATOM 0 HD22 LEU A 120 8.045 15.441 -0.061 1.00 0.00 H new ATOM 0 HD23 LEU A 120 8.352 13.688 -0.046 1.00 0.00 H new ATOM 1983 N LEU A 121 4.643 14.045 -4.339 1.00 0.00 N ATOM 1984 CA LEU A 121 4.467 14.345 -5.750 1.00 0.00 C ATOM 1985 C LEU A 121 3.578 15.580 -5.949 1.00 0.00 C ATOM 1986 O LEU A 121 2.597 15.757 -5.230 1.00 0.00 O ATOM 1987 CB LEU A 121 3.838 13.119 -6.405 1.00 0.00 C ATOM 1988 CG LEU A 121 4.376 12.746 -7.780 1.00 0.00 C ATOM 1989 CD1 LEU A 121 4.699 11.262 -7.843 1.00 0.00 C ATOM 1990 CD2 LEU A 121 3.365 13.117 -8.845 1.00 0.00 C ATOM 0 H LEU A 121 3.956 14.482 -3.725 1.00 0.00 H new ATOM 0 HA LEU A 121 5.431 14.572 -6.206 1.00 0.00 H new ATOM 0 HB2 LEU A 121 3.974 12.266 -5.740 1.00 0.00 H new ATOM 0 HB3 LEU A 121 2.765 13.288 -6.490 1.00 0.00 H new ATOM 0 HG LEU A 121 5.297 13.300 -7.960 1.00 0.00 H new ATOM 0 HD11 LEU A 121 5.082 11.015 -8.833 1.00 0.00 H new ATOM 0 HD12 LEU A 121 5.452 11.021 -7.092 1.00 0.00 H new ATOM 0 HD13 LEU A 121 3.795 10.684 -7.649 1.00 0.00 H new ATOM 0 HD21 LEU A 121 3.755 12.848 -9.827 1.00 0.00 H new ATOM 0 HD22 LEU A 121 2.434 12.580 -8.665 1.00 0.00 H new ATOM 0 HD23 LEU A 121 3.178 14.190 -8.811 1.00 0.00 H new ATOM 2002 N LYS A 122 3.931 16.444 -6.912 1.00 0.00 N ATOM 2003 CA LYS A 122 3.153 17.666 -7.171 1.00 0.00 C ATOM 2004 C LYS A 122 2.509 17.663 -8.562 1.00 0.00 C ATOM 2005 O LYS A 122 3.102 17.194 -9.533 1.00 0.00 O ATOM 2006 CB LYS A 122 4.043 18.902 -7.031 1.00 0.00 C ATOM 2007 CG LYS A 122 5.024 18.822 -5.874 1.00 0.00 C ATOM 2008 CD LYS A 122 6.462 18.759 -6.366 1.00 0.00 C ATOM 2009 CE LYS A 122 7.420 19.425 -5.388 1.00 0.00 C ATOM 2010 NZ LYS A 122 7.204 18.964 -3.988 1.00 0.00 N ATOM 0 H LYS A 122 4.742 16.322 -7.519 1.00 0.00 H new ATOM 0 HA LYS A 122 2.354 17.694 -6.430 1.00 0.00 H new ATOM 0 HB2 LYS A 122 4.599 19.045 -7.958 1.00 0.00 H new ATOM 0 HB3 LYS A 122 3.411 19.780 -6.900 1.00 0.00 H new ATOM 0 HG2 LYS A 122 4.897 19.690 -5.227 1.00 0.00 H new ATOM 0 HG3 LYS A 122 4.806 17.941 -5.271 1.00 0.00 H new ATOM 0 HD2 LYS A 122 6.753 17.718 -6.509 1.00 0.00 H new ATOM 0 HD3 LYS A 122 6.536 19.247 -7.338 1.00 0.00 H new ATOM 0 HE2 LYS A 122 8.447 19.211 -5.685 1.00 0.00 H new ATOM 0 HE3 LYS A 122 7.293 20.506 -5.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 6.717 19.708 -3.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 6.622 18.102 -3.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 8.122 18.759 -3.544 1.00 0.00 H new ATOM 2024 N CYS A 123 1.285 18.193 -8.647 1.00 0.00 N ATOM 2025 CA CYS A 123 0.556 18.256 -9.916 1.00 0.00 C ATOM 2026 C CYS A 123 -0.272 19.535 -10.028 1.00 0.00 C ATOM 2027 O CYS A 123 -1.451 19.490 -10.381 1.00 0.00 O ATOM 2028 CB CYS A 123 -0.359 17.037 -10.069 1.00 0.00 C ATOM 2029 SG CYS A 123 0.419 15.638 -10.905 1.00 0.00 S ATOM 0 H CYS A 123 0.779 18.584 -7.852 1.00 0.00 H new ATOM 0 HA CYS A 123 1.296 18.258 -10.716 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -0.691 16.718 -9.081 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -1.249 17.331 -10.625 1.00 0.00 H new ATOM 0 HG CYS A 123 -0.463 14.702 -11.097 1.00 0.00 H new ATOM 2034 N GLU A 124 0.340 20.676 -9.726 1.00 0.00 N ATOM 2035 CA GLU A 124 -0.360 21.957 -9.797 1.00 0.00 C ATOM 2036 C GLU A 124 -0.997 22.174 -11.169 1.00 0.00 C ATOM 2037 O GLU A 124 -1.988 22.892 -11.293 1.00 0.00 O ATOM 2038 CB GLU A 124 0.601 23.107 -9.488 1.00 0.00 C ATOM 2039 CG GLU A 124 1.810 23.159 -10.408 1.00 0.00 C ATOM 2040 CD GLU A 124 2.190 24.575 -10.797 1.00 0.00 C ATOM 2041 OE1 GLU A 124 1.371 25.251 -11.456 1.00 0.00 O ATOM 2042 OE2 GLU A 124 3.307 25.008 -10.443 1.00 0.00 O ATOM 0 H GLU A 124 1.314 20.741 -9.431 1.00 0.00 H new ATOM 0 HA GLU A 124 -1.155 21.937 -9.051 1.00 0.00 H new ATOM 0 HB2 GLU A 124 0.060 24.050 -9.561 1.00 0.00 H new ATOM 0 HB3 GLU A 124 0.944 23.015 -8.457 1.00 0.00 H new ATOM 0 HG2 GLU A 124 2.657 22.682 -9.915 1.00 0.00 H new ATOM 0 HG3 GLU A 124 1.600 22.583 -11.309 1.00 0.00 H new ATOM 2049 N ALA A 125 -0.420 21.559 -12.198 1.00 0.00 N ATOM 2050 CA ALA A 125 -0.940 21.705 -13.554 1.00 0.00 C ATOM 2051 C ALA A 125 -2.317 21.054 -13.698 1.00 0.00 C ATOM 2052 O ALA A 125 -3.318 21.755 -13.836 1.00 0.00 O ATOM 2053 CB ALA A 125 0.045 21.136 -14.559 1.00 0.00 C ATOM 0 H ALA A 125 0.401 20.959 -12.120 1.00 0.00 H new ATOM 0 HA ALA A 125 -1.064 22.768 -13.758 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -0.355 21.251 -15.566 1.00 0.00 H new ATOM 0 HB2 ALA A 125 0.992 21.669 -14.482 1.00 0.00 H new ATOM 0 HB3 ALA A 125 0.206 20.078 -14.352 1.00 0.00 H new ATOM 2059 N CYS A 126 -2.379 19.720 -13.653 1.00 0.00 N ATOM 2060 CA CYS A 126 -3.666 19.024 -13.766 1.00 0.00 C ATOM 2061 C CYS A 126 -4.402 19.018 -12.429 1.00 0.00 C ATOM 2062 O CYS A 126 -4.945 17.994 -12.013 1.00 0.00 O ATOM 2063 CB CYS A 126 -3.483 17.587 -14.260 1.00 0.00 C ATOM 2064 SG CYS A 126 -2.457 16.552 -13.184 1.00 0.00 S ATOM 0 H CYS A 126 -1.570 19.109 -13.541 1.00 0.00 H new ATOM 0 HA CYS A 126 -4.263 19.568 -14.498 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -4.464 17.123 -14.362 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -3.036 17.611 -15.254 1.00 0.00 H new ATOM 0 HG CYS A 126 -2.945 16.561 -11.979 1.00 0.00 H new ATOM 2069 N GLY A 127 -4.413 20.162 -11.757 1.00 0.00 N ATOM 2070 CA GLY A 127 -5.078 20.260 -10.476 1.00 0.00 C ATOM 2071 C GLY A 127 -4.098 20.495 -9.346 1.00 0.00 C ATOM 2072 O GLY A 127 -3.418 21.520 -9.312 1.00 0.00 O ATOM 0 H GLY A 127 -3.972 21.024 -12.078 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -5.801 21.075 -10.504 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -5.637 19.344 -10.287 1.00 0.00 H new ATOM 2076 N ALA A 128 -4.014 19.543 -8.425 1.00 0.00 N ATOM 2077 CA ALA A 128 -3.098 19.656 -7.300 1.00 0.00 C ATOM 2078 C ALA A 128 -2.692 18.290 -6.773 1.00 0.00 C ATOM 2079 O ALA A 128 -3.432 17.315 -6.898 1.00 0.00 O ATOM 2080 CB ALA A 128 -3.705 20.491 -6.185 1.00 0.00 C ATOM 0 H ALA A 128 -4.568 18.687 -8.436 1.00 0.00 H new ATOM 0 HA ALA A 128 -2.201 20.159 -7.662 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -3.000 20.560 -5.357 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -3.925 21.491 -6.558 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -4.626 20.022 -5.839 1.00 0.00 H new ATOM 2086 N LYS A 129 -1.516 18.231 -6.172 1.00 0.00 N ATOM 2087 CA LYS A 129 -1.006 16.994 -5.609 1.00 0.00 C ATOM 2088 C LYS A 129 -0.300 17.280 -4.285 1.00 0.00 C ATOM 2089 O LYS A 129 0.183 18.387 -4.065 1.00 0.00 O ATOM 2090 CB LYS A 129 -0.059 16.325 -6.605 1.00 0.00 C ATOM 2091 CG LYS A 129 -0.548 14.980 -7.111 1.00 0.00 C ATOM 2092 CD LYS A 129 0.336 13.855 -6.612 1.00 0.00 C ATOM 2093 CE LYS A 129 0.240 13.713 -5.105 1.00 0.00 C ATOM 2094 NZ LYS A 129 0.111 12.294 -4.680 1.00 0.00 N ATOM 0 H LYS A 129 -0.893 19.031 -6.061 1.00 0.00 H new ATOM 0 HA LYS A 129 -1.834 16.312 -5.413 1.00 0.00 H new ATOM 0 HB2 LYS A 129 0.087 16.991 -7.456 1.00 0.00 H new ATOM 0 HB3 LYS A 129 0.914 16.192 -6.133 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -1.573 14.815 -6.781 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -0.560 14.981 -8.201 1.00 0.00 H new ATOM 0 HD2 LYS A 129 0.043 12.919 -7.088 1.00 0.00 H new ATOM 0 HD3 LYS A 129 1.370 14.047 -6.897 1.00 0.00 H new ATOM 0 HE2 LYS A 129 1.126 14.149 -4.644 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -0.619 14.278 -4.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 0.049 12.247 -3.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -0.748 11.883 -5.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 0.942 11.758 -5.002 1.00 0.00 H new ATOM 2108 N ALA A 130 -0.267 16.290 -3.398 1.00 0.00 N ATOM 2109 CA ALA A 130 0.355 16.457 -2.087 1.00 0.00 C ATOM 2110 C ALA A 130 1.877 16.298 -2.143 1.00 0.00 C ATOM 2111 O ALA A 130 2.386 15.182 -2.242 1.00 0.00 O ATOM 2112 CB ALA A 130 -0.239 15.458 -1.104 1.00 0.00 C ATOM 0 H ALA A 130 -0.663 15.364 -3.562 1.00 0.00 H new ATOM 0 HA ALA A 130 0.148 17.473 -1.752 1.00 0.00 H new ATOM 0 HB1 ALA A 130 0.228 15.587 -0.128 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -1.312 15.627 -1.018 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -0.059 14.444 -1.462 1.00 0.00 H new ATOM 2118 N PRO A 131 2.631 17.416 -2.061 1.00 0.00 N ATOM 2119 CA PRO A 131 4.099 17.382 -2.086 1.00 0.00 C ATOM 2120 C PRO A 131 4.702 16.851 -0.782 1.00 0.00 C ATOM 2121 O PRO A 131 5.922 16.754 -0.653 1.00 0.00 O ATOM 2122 CB PRO A 131 4.476 18.849 -2.283 1.00 0.00 C ATOM 2123 CG PRO A 131 3.358 19.605 -1.658 1.00 0.00 C ATOM 2124 CD PRO A 131 2.119 18.797 -1.927 1.00 0.00 C ATOM 0 HA PRO A 131 4.475 16.714 -2.861 1.00 0.00 H new ATOM 0 HB2 PRO A 131 5.428 19.082 -1.807 1.00 0.00 H new ATOM 0 HB3 PRO A 131 4.580 19.094 -3.340 1.00 0.00 H new ATOM 0 HG2 PRO A 131 3.520 19.729 -0.587 1.00 0.00 H new ATOM 0 HG3 PRO A 131 3.274 20.604 -2.085 1.00 0.00 H new ATOM 0 HD2 PRO A 131 1.400 18.881 -1.112 1.00 0.00 H new ATOM 0 HD3 PRO A 131 1.613 19.128 -2.834 1.00 0.00 H new