USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 583 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 Single : A 56 ASN : amide:sc= -0.0457 K(o=-0.046,f=-0.55) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.063 X(o=-0.063,f=-0.063) USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 96 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00866) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0.0134 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 574 N ASN A 56 -4.390 17.641 9.619 1.00 0.00 N ATOM 575 CA ASN A 56 -3.152 17.516 8.851 1.00 0.00 C ATOM 576 C ASN A 56 -2.564 16.092 8.931 1.00 0.00 C ATOM 577 O ASN A 56 -2.170 15.539 7.903 1.00 0.00 O ATOM 578 CB ASN A 56 -2.178 18.650 9.235 1.00 0.00 C ATOM 579 CG ASN A 56 -1.675 18.662 10.672 1.00 0.00 C ATOM 580 OD1 ASN A 56 -0.988 17.767 11.135 1.00 0.00 O ATOM 581 ND2 ASN A 56 -1.944 19.713 11.411 1.00 0.00 N ATOM 0 HA ASN A 56 -3.365 17.648 7.790 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.314 18.595 8.573 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.670 19.602 9.039 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.579 19.775 12.362 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.517 20.468 11.035 1.00 0.00 H new ATOM 588 N SER A 57 -2.575 15.451 10.106 1.00 0.00 N ATOM 589 CA SER A 57 -2.092 14.067 10.274 1.00 0.00 C ATOM 590 C SER A 57 -2.900 13.052 9.446 1.00 0.00 C ATOM 591 O SER A 57 -2.345 12.060 8.968 1.00 0.00 O ATOM 592 CB SER A 57 -2.126 13.659 11.750 1.00 0.00 C ATOM 593 OG SER A 57 -1.270 14.472 12.536 1.00 0.00 O ATOM 0 H SER A 57 -2.918 15.873 10.969 1.00 0.00 H new ATOM 0 HA SER A 57 -1.065 14.053 9.908 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.146 13.735 12.126 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.827 12.615 11.847 1.00 0.00 H new ATOM 0 HG SER A 57 -1.317 14.186 13.472 1.00 0.00 H new ATOM 599 N HIS A 58 -4.192 13.312 9.195 1.00 0.00 N ATOM 600 CA HIS A 58 -5.045 12.477 8.333 1.00 0.00 C ATOM 601 C HIS A 58 -4.527 12.357 6.891 1.00 0.00 C ATOM 602 O HIS A 58 -4.700 11.304 6.279 1.00 0.00 O ATOM 603 CB HIS A 58 -6.492 13.000 8.360 1.00 0.00 C ATOM 604 CG HIS A 58 -7.500 11.977 7.899 1.00 0.00 C ATOM 605 ND1 HIS A 58 -8.313 12.065 6.783 1.00 0.00 N ATOM 606 CD2 HIS A 58 -7.794 10.812 8.552 1.00 0.00 C ATOM 607 CE1 HIS A 58 -9.091 10.961 6.759 1.00 0.00 C ATOM 608 NE2 HIS A 58 -8.790 10.184 7.823 1.00 0.00 N ATOM 0 H HIS A 58 -4.680 14.116 9.589 1.00 0.00 H new ATOM 0 HA HIS A 58 -5.016 11.467 8.742 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -6.740 13.314 9.374 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -6.564 13.884 7.726 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -7.337 10.451 9.462 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -9.835 10.735 6.009 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -9.222 9.289 8.050 1.00 0.00 H new ATOM 617 N PHE A 59 -3.847 13.383 6.362 1.00 0.00 N ATOM 618 CA PHE A 59 -3.211 13.348 5.036 1.00 0.00 C ATOM 619 C PHE A 59 -2.203 12.198 4.944 1.00 0.00 C ATOM 620 O PHE A 59 -2.277 11.372 4.035 1.00 0.00 O ATOM 621 CB PHE A 59 -2.526 14.691 4.735 1.00 0.00 C ATOM 622 CG PHE A 59 -2.145 14.891 3.276 1.00 0.00 C ATOM 623 CD1 PHE A 59 -1.088 14.158 2.697 1.00 0.00 C ATOM 624 CD2 PHE A 59 -2.850 15.824 2.493 1.00 0.00 C ATOM 625 CE1 PHE A 59 -0.753 14.344 1.343 1.00 0.00 C ATOM 626 CE2 PHE A 59 -2.511 16.015 1.140 1.00 0.00 C ATOM 627 CZ PHE A 59 -1.464 15.272 0.564 1.00 0.00 C ATOM 0 H PHE A 59 -3.721 14.271 6.847 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.987 13.178 4.290 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.191 15.500 5.038 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.627 14.771 5.347 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.533 13.451 3.296 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.654 16.396 2.932 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.051 13.773 0.903 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.055 16.732 0.544 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.207 15.415 -0.475 1.00 0.00 H new ATOM 637 N PHE A 60 -1.279 12.125 5.910 1.00 0.00 N ATOM 638 CA PHE A 60 -0.302 11.045 6.025 1.00 0.00 C ATOM 639 C PHE A 60 -0.983 9.681 6.127 1.00 0.00 C ATOM 640 O PHE A 60 -0.683 8.798 5.327 1.00 0.00 O ATOM 641 CB PHE A 60 0.592 11.264 7.247 1.00 0.00 C ATOM 642 CG PHE A 60 1.409 10.036 7.608 1.00 0.00 C ATOM 643 CD1 PHE A 60 2.294 9.487 6.665 1.00 0.00 C ATOM 644 CD2 PHE A 60 1.211 9.381 8.841 1.00 0.00 C ATOM 645 CE1 PHE A 60 2.952 8.282 6.946 1.00 0.00 C ATOM 646 CE2 PHE A 60 1.895 8.186 9.131 1.00 0.00 C ATOM 647 CZ PHE A 60 2.757 7.630 8.172 1.00 0.00 C ATOM 0 H PHE A 60 -1.191 12.828 6.644 1.00 0.00 H new ATOM 0 HA PHE A 60 0.307 11.057 5.121 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.266 12.099 7.053 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.027 11.545 8.099 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.467 9.992 5.726 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.530 9.799 9.567 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.616 7.851 6.211 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.758 7.699 10.085 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.269 6.702 8.378 1.00 0.00 H new ATOM 657 N VAL A 61 -1.905 9.507 7.081 1.00 0.00 N ATOM 658 CA VAL A 61 -2.621 8.235 7.269 1.00 0.00 C ATOM 659 C VAL A 61 -3.298 7.786 5.968 1.00 0.00 C ATOM 660 O VAL A 61 -3.229 6.610 5.627 1.00 0.00 O ATOM 661 CB VAL A 61 -3.623 8.312 8.439 1.00 0.00 C ATOM 662 CG1 VAL A 61 -4.396 6.997 8.613 1.00 0.00 C ATOM 663 CG2 VAL A 61 -2.900 8.590 9.765 1.00 0.00 C ATOM 0 H VAL A 61 -2.176 10.236 7.741 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.884 7.477 7.534 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.311 9.121 8.196 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.092 7.091 9.447 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.951 6.778 7.701 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.695 6.187 8.815 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.629 8.639 10.574 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.189 7.789 9.966 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.368 9.539 9.697 1.00 0.00 H new ATOM 673 N ALA A 62 -3.870 8.714 5.193 1.00 0.00 N ATOM 674 CA ALA A 62 -4.470 8.440 3.883 1.00 0.00 C ATOM 675 C ALA A 62 -3.444 7.958 2.833 1.00 0.00 C ATOM 676 O ALA A 62 -3.608 6.881 2.253 1.00 0.00 O ATOM 677 CB ALA A 62 -5.224 9.689 3.406 1.00 0.00 C ATOM 0 H ALA A 62 -3.930 9.695 5.464 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.169 7.612 4.000 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.673 9.493 2.432 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.006 9.938 4.123 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.529 10.524 3.323 1.00 0.00 H new ATOM 683 N THR A 63 -2.385 8.735 2.574 1.00 0.00 N ATOM 684 CA THR A 63 -1.347 8.371 1.588 1.00 0.00 C ATOM 685 C THR A 63 -0.595 7.088 1.982 1.00 0.00 C ATOM 686 O THR A 63 -0.332 6.234 1.132 1.00 0.00 O ATOM 687 CB THR A 63 -0.413 9.563 1.294 1.00 0.00 C ATOM 688 OG1 THR A 63 0.415 9.298 0.182 1.00 0.00 O ATOM 689 CG2 THR A 63 0.472 10.009 2.443 1.00 0.00 C ATOM 0 H THR A 63 -2.219 9.629 3.036 1.00 0.00 H new ATOM 0 HA THR A 63 -1.848 8.134 0.650 1.00 0.00 H new ATOM 0 HB THR A 63 -1.106 10.381 1.098 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.996 10.069 0.016 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.085 10.852 2.124 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.150 10.311 3.285 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.118 9.185 2.746 1.00 0.00 H new ATOM 697 N PHE A 64 -0.313 6.896 3.276 1.00 0.00 N ATOM 698 CA PHE A 64 0.300 5.687 3.826 1.00 0.00 C ATOM 699 C PHE A 64 -0.636 4.475 3.665 1.00 0.00 C ATOM 700 O PHE A 64 -0.192 3.419 3.214 1.00 0.00 O ATOM 701 CB PHE A 64 0.693 5.932 5.296 1.00 0.00 C ATOM 702 CG PHE A 64 1.531 4.821 5.898 1.00 0.00 C ATOM 703 CD1 PHE A 64 0.896 3.686 6.432 1.00 0.00 C ATOM 704 CD2 PHE A 64 2.939 4.884 5.885 1.00 0.00 C ATOM 705 CE1 PHE A 64 1.659 2.593 6.876 1.00 0.00 C ATOM 706 CE2 PHE A 64 3.696 3.775 6.306 1.00 0.00 C ATOM 707 CZ PHE A 64 3.058 2.626 6.786 1.00 0.00 C ATOM 0 H PHE A 64 -0.512 7.599 3.988 1.00 0.00 H new ATOM 0 HA PHE A 64 1.208 5.454 3.269 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.246 6.869 5.363 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.213 6.053 5.889 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.181 3.654 6.501 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.437 5.783 5.552 1.00 0.00 H new ATOM 0 HE1 PHE A 64 1.166 1.725 7.288 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.774 3.811 6.258 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.641 1.768 7.086 1.00 0.00 H new ATOM 717 N ALA A 65 -1.935 4.624 3.967 1.00 0.00 N ATOM 718 CA ALA A 65 -2.962 3.595 3.773 1.00 0.00 C ATOM 719 C ALA A 65 -3.055 3.091 2.323 1.00 0.00 C ATOM 720 O ALA A 65 -3.084 1.882 2.095 1.00 0.00 O ATOM 721 CB ALA A 65 -4.324 4.099 4.249 1.00 0.00 C ATOM 0 H ALA A 65 -2.307 5.487 4.363 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.657 2.741 4.378 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.073 3.322 4.097 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.270 4.348 5.309 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.602 4.987 3.681 1.00 0.00 H new ATOM 727 N ARG A 66 -3.080 3.995 1.335 1.00 0.00 N ATOM 728 CA ARG A 66 -3.109 3.617 -0.088 1.00 0.00 C ATOM 729 C ARG A 66 -1.893 2.782 -0.486 1.00 0.00 C ATOM 730 O ARG A 66 -2.040 1.742 -1.127 1.00 0.00 O ATOM 731 CB ARG A 66 -3.254 4.873 -0.958 1.00 0.00 C ATOM 732 CG ARG A 66 -3.387 4.506 -2.448 1.00 0.00 C ATOM 733 CD ARG A 66 -3.926 5.670 -3.284 1.00 0.00 C ATOM 734 NE ARG A 66 -5.326 5.979 -2.924 1.00 0.00 N ATOM 735 CZ ARG A 66 -5.995 7.091 -3.167 1.00 0.00 C ATOM 736 NH1 ARG A 66 -5.483 8.070 -3.856 1.00 0.00 N ATOM 737 NH2 ARG A 66 -7.205 7.238 -2.709 1.00 0.00 N ATOM 0 H ARG A 66 -3.081 5.002 1.495 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.978 2.980 -0.255 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.130 5.439 -0.641 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.388 5.519 -0.816 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.414 4.203 -2.834 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.052 3.648 -2.551 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -3.304 6.552 -3.129 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -3.866 5.420 -4.343 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.835 5.247 -2.429 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.536 7.992 -4.227 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.029 8.915 -4.025 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.637 6.494 -2.162 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.721 8.098 -2.897 1.00 0.00 H new ATOM 751 N GLU A 67 -0.703 3.215 -0.078 1.00 0.00 N ATOM 752 CA GLU A 67 0.544 2.505 -0.351 1.00 0.00 C ATOM 753 C GLU A 67 0.585 1.132 0.335 1.00 0.00 C ATOM 754 O GLU A 67 0.753 0.126 -0.356 1.00 0.00 O ATOM 755 CB GLU A 67 1.735 3.378 0.059 1.00 0.00 C ATOM 756 CG GLU A 67 2.065 4.496 -0.939 1.00 0.00 C ATOM 757 CD GLU A 67 2.485 3.932 -2.309 1.00 0.00 C ATOM 758 OE1 GLU A 67 3.666 3.544 -2.474 1.00 0.00 O ATOM 759 OE2 GLU A 67 1.631 3.865 -3.225 1.00 0.00 O ATOM 0 H GLU A 67 -0.576 4.075 0.455 1.00 0.00 H new ATOM 0 HA GLU A 67 0.603 2.313 -1.422 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.527 3.824 1.032 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.613 2.743 0.180 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.196 5.142 -1.062 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.868 5.115 -0.539 1.00 0.00 H new ATOM 766 N ARG A 68 0.389 1.058 1.664 1.00 0.00 N ATOM 767 CA ARG A 68 0.424 -0.212 2.420 1.00 0.00 C ATOM 768 C ARG A 68 -0.571 -1.232 1.867 1.00 0.00 C ATOM 769 O ARG A 68 -0.226 -2.399 1.722 1.00 0.00 O ATOM 770 CB ARG A 68 0.257 0.009 3.943 1.00 0.00 C ATOM 771 CG ARG A 68 -1.178 0.353 4.361 1.00 0.00 C ATOM 772 CD ARG A 68 -1.359 0.739 5.829 1.00 0.00 C ATOM 773 NE ARG A 68 -1.367 -0.427 6.731 1.00 0.00 N ATOM 774 CZ ARG A 68 -1.799 -0.438 7.979 1.00 0.00 C ATOM 775 NH1 ARG A 68 -2.120 0.655 8.614 1.00 0.00 N ATOM 776 NH2 ARG A 68 -1.933 -1.562 8.621 1.00 0.00 N ATOM 0 H ARG A 68 0.202 1.875 2.246 1.00 0.00 H new ATOM 0 HA ARG A 68 1.418 -0.637 2.279 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.573 -0.892 4.469 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.921 0.813 4.260 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.532 1.176 3.740 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.816 -0.504 4.147 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.556 1.415 6.124 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.294 1.287 5.943 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.006 -1.305 6.357 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.041 1.558 8.147 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.450 0.607 9.578 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.704 -2.443 8.161 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.267 -1.562 9.585 1.00 0.00 H new ATOM 790 N ALA A 69 -1.778 -0.782 1.513 1.00 0.00 N ATOM 791 CA ALA A 69 -2.837 -1.620 0.954 1.00 0.00 C ATOM 792 C ALA A 69 -2.447 -2.204 -0.411 1.00 0.00 C ATOM 793 O ALA A 69 -2.658 -3.395 -0.645 1.00 0.00 O ATOM 794 CB ALA A 69 -4.126 -0.798 0.855 1.00 0.00 C ATOM 0 H ALA A 69 -2.050 0.196 1.610 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.997 -2.469 1.619 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.921 -1.417 0.439 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.416 -0.455 1.848 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.960 0.063 0.208 1.00 0.00 H new ATOM 800 N ALA A 70 -1.848 -1.396 -1.296 1.00 0.00 N ATOM 801 CA ALA A 70 -1.340 -1.872 -2.580 1.00 0.00 C ATOM 802 C ALA A 70 -0.306 -2.994 -2.379 1.00 0.00 C ATOM 803 O ALA A 70 -0.425 -4.040 -3.015 1.00 0.00 O ATOM 804 CB ALA A 70 -0.769 -0.695 -3.381 1.00 0.00 C ATOM 0 H ALA A 70 -1.705 -0.398 -1.139 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.161 -2.301 -3.155 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.391 -1.055 -4.338 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.553 0.042 -3.555 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.044 -0.234 -2.820 1.00 0.00 H new ATOM 810 N VAL A 71 0.656 -2.822 -1.459 1.00 0.00 N ATOM 811 CA VAL A 71 1.635 -3.871 -1.106 1.00 0.00 C ATOM 812 C VAL A 71 0.932 -5.124 -0.575 1.00 0.00 C ATOM 813 O VAL A 71 1.222 -6.235 -1.018 1.00 0.00 O ATOM 814 CB VAL A 71 2.647 -3.423 -0.033 1.00 0.00 C ATOM 815 CG1 VAL A 71 3.824 -4.400 0.048 1.00 0.00 C ATOM 816 CG2 VAL A 71 3.195 -2.007 -0.232 1.00 0.00 C ATOM 0 H VAL A 71 0.780 -1.954 -0.937 1.00 0.00 H new ATOM 0 HA VAL A 71 2.171 -4.081 -2.032 1.00 0.00 H new ATOM 0 HB VAL A 71 2.081 -3.418 0.899 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.525 -4.063 0.812 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.456 -5.393 0.306 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.330 -4.440 -0.916 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.899 -1.774 0.567 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.704 -1.946 -1.194 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.372 -1.292 -0.211 1.00 0.00 H new ATOM 826 N GLU A 72 0.008 -4.955 0.376 1.00 0.00 N ATOM 827 CA GLU A 72 -0.715 -6.060 1.011 1.00 0.00 C ATOM 828 C GLU A 72 -1.512 -6.896 -0.010 1.00 0.00 C ATOM 829 O GLU A 72 -1.625 -8.113 0.131 1.00 0.00 O ATOM 830 CB GLU A 72 -1.640 -5.539 2.128 1.00 0.00 C ATOM 831 CG GLU A 72 -1.580 -6.440 3.369 1.00 0.00 C ATOM 832 CD GLU A 72 -2.881 -6.369 4.193 1.00 0.00 C ATOM 833 OE1 GLU A 72 -3.919 -6.915 3.744 1.00 0.00 O ATOM 834 OE2 GLU A 72 -2.875 -5.785 5.303 1.00 0.00 O ATOM 0 H GLU A 72 -0.261 -4.037 0.730 1.00 0.00 H new ATOM 0 HA GLU A 72 0.032 -6.718 1.455 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.350 -4.524 2.399 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.665 -5.490 1.761 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.401 -7.470 3.062 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.738 -6.142 3.994 1.00 0.00 H new ATOM 841 N GLU A 73 -2.040 -6.263 -1.062 1.00 0.00 N ATOM 842 CA GLU A 73 -2.729 -6.949 -2.160 1.00 0.00 C ATOM 843 C GLU A 73 -1.747 -7.597 -3.158 1.00 0.00 C ATOM 844 O GLU A 73 -2.020 -8.674 -3.696 1.00 0.00 O ATOM 845 CB GLU A 73 -3.657 -5.968 -2.897 1.00 0.00 C ATOM 846 CG GLU A 73 -4.861 -6.719 -3.481 1.00 0.00 C ATOM 847 CD GLU A 73 -5.685 -5.829 -4.430 1.00 0.00 C ATOM 848 OE1 GLU A 73 -5.244 -5.594 -5.581 1.00 0.00 O ATOM 849 OE2 GLU A 73 -6.790 -5.377 -4.042 1.00 0.00 O ATOM 0 H GLU A 73 -2.001 -5.250 -1.177 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.319 -7.752 -1.718 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -4.000 -5.194 -2.210 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.109 -5.467 -3.695 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.513 -7.600 -4.020 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.498 -7.072 -2.670 1.00 0.00 H new ATOM 856 N LEU A 74 -0.579 -6.977 -3.381 1.00 0.00 N ATOM 857 CA LEU A 74 0.469 -7.463 -4.292 1.00 0.00 C ATOM 858 C LEU A 74 0.950 -8.880 -3.917 1.00 0.00 C ATOM 859 O LEU A 74 1.321 -9.650 -4.794 1.00 0.00 O ATOM 860 CB LEU A 74 1.612 -6.425 -4.377 1.00 0.00 C ATOM 861 CG LEU A 74 2.370 -6.391 -5.724 1.00 0.00 C ATOM 862 CD1 LEU A 74 3.094 -5.046 -5.861 1.00 0.00 C ATOM 863 CD2 LEU A 74 3.375 -7.537 -5.915 1.00 0.00 C ATOM 0 H LEU A 74 -0.330 -6.101 -2.921 1.00 0.00 H new ATOM 0 HA LEU A 74 0.049 -7.566 -5.293 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.197 -5.435 -4.186 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.327 -6.630 -3.581 1.00 0.00 H new ATOM 0 HG LEU A 74 1.618 -6.520 -6.502 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.630 -5.016 -6.809 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.365 -4.236 -5.831 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.802 -4.928 -5.040 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.862 -7.436 -6.885 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.126 -7.497 -5.126 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.851 -8.492 -5.869 1.00 0.00 H new ATOM 875 N LEU A 75 0.856 -9.267 -2.641 1.00 0.00 N ATOM 876 CA LEU A 75 1.165 -10.608 -2.117 1.00 0.00 C ATOM 877 C LEU A 75 0.316 -11.738 -2.734 1.00 0.00 C ATOM 878 O LEU A 75 0.748 -12.892 -2.762 1.00 0.00 O ATOM 879 CB LEU A 75 0.928 -10.595 -0.602 1.00 0.00 C ATOM 880 CG LEU A 75 1.925 -9.723 0.177 1.00 0.00 C ATOM 881 CD1 LEU A 75 1.343 -9.423 1.550 1.00 0.00 C ATOM 882 CD2 LEU A 75 3.251 -10.453 0.371 1.00 0.00 C ATOM 0 H LEU A 75 0.549 -8.627 -1.909 1.00 0.00 H new ATOM 0 HA LEU A 75 2.202 -10.819 -2.380 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.083 -10.238 -0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.984 -11.617 -0.227 1.00 0.00 H new ATOM 0 HG LEU A 75 2.100 -8.807 -0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.041 -8.804 2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.398 -8.892 1.436 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.172 -10.357 2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.940 -9.815 0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.081 -11.374 0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.681 -10.692 -0.602 1.00 0.00 H new ATOM 894 N GLU A 76 -0.906 -11.437 -3.183 1.00 0.00 N ATOM 895 CA GLU A 76 -1.793 -12.371 -3.889 1.00 0.00 C ATOM 896 C GLU A 76 -1.608 -12.274 -5.413 1.00 0.00 C ATOM 897 O GLU A 76 -1.774 -13.272 -6.119 1.00 0.00 O ATOM 898 CB GLU A 76 -3.253 -12.107 -3.484 1.00 0.00 C ATOM 899 CG GLU A 76 -3.697 -13.003 -2.319 1.00 0.00 C ATOM 900 CD GLU A 76 -4.006 -14.445 -2.783 1.00 0.00 C ATOM 901 OE1 GLU A 76 -5.156 -14.717 -3.206 1.00 0.00 O ATOM 902 OE2 GLU A 76 -3.103 -15.316 -2.721 1.00 0.00 O ATOM 0 H GLU A 76 -1.318 -10.512 -3.063 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.530 -13.389 -3.601 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.367 -11.061 -3.201 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.904 -12.278 -4.341 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.914 -13.026 -1.561 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.583 -12.575 -1.850 1.00 0.00 H new ATOM 909 N ARG A 77 -1.237 -11.091 -5.929 1.00 0.00 N ATOM 910 CA ARG A 77 -0.915 -10.862 -7.353 1.00 0.00 C ATOM 911 C ARG A 77 0.452 -11.440 -7.752 1.00 0.00 C ATOM 912 O ARG A 77 0.669 -11.746 -8.925 1.00 0.00 O ATOM 913 CB ARG A 77 -0.979 -9.353 -7.666 1.00 0.00 C ATOM 914 CG ARG A 77 -2.410 -8.813 -7.831 1.00 0.00 C ATOM 915 CD ARG A 77 -3.015 -9.293 -9.158 1.00 0.00 C ATOM 916 NE ARG A 77 -4.352 -8.724 -9.410 1.00 0.00 N ATOM 917 CZ ARG A 77 -5.227 -9.149 -10.307 1.00 0.00 C ATOM 918 NH1 ARG A 77 -4.995 -10.185 -11.064 1.00 0.00 N ATOM 919 NH2 ARG A 77 -6.363 -8.535 -10.468 1.00 0.00 N ATOM 0 H ARG A 77 -1.150 -10.249 -5.360 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.661 -11.391 -7.946 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.484 -8.804 -6.865 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.419 -9.157 -8.580 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -3.030 -9.148 -6.999 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.400 -7.723 -7.802 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.348 -9.021 -9.976 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.083 -10.381 -9.150 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.629 -7.926 -8.838 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.116 -10.695 -10.975 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -5.692 -10.485 -11.745 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.586 -7.718 -9.900 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.030 -8.871 -11.162 1.00 0.00 H new ATOM 933 N ALA A 78 1.376 -11.576 -6.805 1.00 0.00 N ATOM 934 CA ALA A 78 2.685 -12.196 -6.973 1.00 0.00 C ATOM 935 C ALA A 78 2.571 -13.732 -6.925 1.00 0.00 C ATOM 936 O ALA A 78 1.989 -14.299 -5.998 1.00 0.00 O ATOM 937 CB ALA A 78 3.628 -11.677 -5.878 1.00 0.00 C ATOM 0 H ALA A 78 1.224 -11.240 -5.854 1.00 0.00 H new ATOM 0 HA ALA A 78 3.091 -11.931 -7.949 1.00 0.00 H new ATOM 0 HB1 ALA A 78 4.610 -12.136 -5.996 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.721 -10.594 -5.961 1.00 0.00 H new ATOM 0 HB3 ALA A 78 3.224 -11.932 -4.899 1.00 0.00 H new ATOM 943 N GLU A 79 3.160 -14.404 -7.916 1.00 0.00 N ATOM 944 CA GLU A 79 3.213 -15.875 -8.026 1.00 0.00 C ATOM 945 C GLU A 79 4.647 -16.433 -8.181 1.00 0.00 C ATOM 946 O GLU A 79 4.837 -17.650 -8.246 1.00 0.00 O ATOM 947 CB GLU A 79 2.270 -16.339 -9.153 1.00 0.00 C ATOM 948 CG GLU A 79 2.718 -15.915 -10.562 1.00 0.00 C ATOM 949 CD GLU A 79 1.727 -16.403 -11.639 1.00 0.00 C ATOM 950 OE1 GLU A 79 1.559 -17.637 -11.812 1.00 0.00 O ATOM 951 OE2 GLU A 79 1.118 -15.558 -12.339 1.00 0.00 O ATOM 0 H GLU A 79 3.629 -13.932 -8.690 1.00 0.00 H new ATOM 0 HA GLU A 79 2.864 -16.293 -7.081 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.190 -17.426 -9.121 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.273 -15.940 -8.965 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.801 -14.829 -10.607 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.709 -16.320 -10.767 1.00 0.00 H new ATOM 958 N SER A 80 5.650 -15.546 -8.205 1.00 0.00 N ATOM 959 CA SER A 80 7.085 -15.827 -8.369 1.00 0.00 C ATOM 960 C SER A 80 7.945 -14.830 -7.574 1.00 0.00 C ATOM 961 O SER A 80 7.480 -13.744 -7.215 1.00 0.00 O ATOM 962 CB SER A 80 7.471 -15.740 -9.855 1.00 0.00 C ATOM 963 OG SER A 80 6.994 -16.869 -10.568 1.00 0.00 O ATOM 0 H SER A 80 5.471 -14.547 -8.104 1.00 0.00 H new ATOM 0 HA SER A 80 7.270 -16.832 -7.990 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.058 -14.829 -10.289 1.00 0.00 H new ATOM 0 HB3 SER A 80 8.555 -15.676 -9.950 1.00 0.00 H new ATOM 0 HG SER A 80 7.249 -16.792 -11.511 1.00 0.00 H new ATOM 969 N VAL A 81 9.227 -15.163 -7.364 1.00 0.00 N ATOM 970 CA VAL A 81 10.239 -14.294 -6.716 1.00 0.00 C ATOM 971 C VAL A 81 10.346 -12.930 -7.423 1.00 0.00 C ATOM 972 O VAL A 81 10.517 -11.902 -6.774 1.00 0.00 O ATOM 973 CB VAL A 81 11.621 -14.992 -6.680 1.00 0.00 C ATOM 974 CG1 VAL A 81 12.689 -14.149 -5.970 1.00 0.00 C ATOM 975 CG2 VAL A 81 11.578 -16.337 -5.939 1.00 0.00 C ATOM 0 H VAL A 81 9.606 -16.067 -7.645 1.00 0.00 H new ATOM 0 HA VAL A 81 9.911 -14.117 -5.692 1.00 0.00 H new ATOM 0 HB VAL A 81 11.877 -15.134 -7.730 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.638 -14.686 -5.974 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.808 -13.199 -6.490 1.00 0.00 H new ATOM 0 HG13 VAL A 81 12.381 -13.963 -4.941 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.571 -16.786 -5.942 1.00 0.00 H new ATOM 0 HG22 VAL A 81 11.256 -16.176 -4.910 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.876 -17.005 -6.438 1.00 0.00 H new ATOM 985 N GLU A 82 10.182 -12.901 -8.751 1.00 0.00 N ATOM 986 CA GLU A 82 10.238 -11.694 -9.593 1.00 0.00 C ATOM 987 C GLU A 82 9.267 -10.587 -9.133 1.00 0.00 C ATOM 988 O GLU A 82 9.694 -9.460 -8.865 1.00 0.00 O ATOM 989 CB GLU A 82 9.963 -12.064 -11.063 1.00 0.00 C ATOM 990 CG GLU A 82 10.937 -13.091 -11.666 1.00 0.00 C ATOM 991 CD GLU A 82 12.409 -12.628 -11.645 1.00 0.00 C ATOM 992 OE1 GLU A 82 12.709 -11.506 -12.118 1.00 0.00 O ATOM 993 OE2 GLU A 82 13.281 -13.399 -11.175 1.00 0.00 O ATOM 0 H GLU A 82 10.000 -13.747 -9.291 1.00 0.00 H new ATOM 0 HA GLU A 82 11.244 -11.287 -9.493 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.949 -12.458 -11.140 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.998 -11.155 -11.664 1.00 0.00 H new ATOM 0 HG2 GLU A 82 10.851 -14.028 -11.116 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.644 -13.297 -12.695 1.00 0.00 H new ATOM 1000 N ARG A 83 7.964 -10.893 -9.009 1.00 0.00 N ATOM 1001 CA ARG A 83 6.957 -9.950 -8.476 1.00 0.00 C ATOM 1002 C ARG A 83 7.142 -9.654 -6.987 1.00 0.00 C ATOM 1003 O ARG A 83 6.843 -8.542 -6.549 1.00 0.00 O ATOM 1004 CB ARG A 83 5.524 -10.454 -8.725 1.00 0.00 C ATOM 1005 CG ARG A 83 5.013 -10.097 -10.128 1.00 0.00 C ATOM 1006 CD ARG A 83 3.482 -10.216 -10.211 1.00 0.00 C ATOM 1007 NE ARG A 83 2.946 -9.414 -11.326 1.00 0.00 N ATOM 1008 CZ ARG A 83 1.696 -9.356 -11.751 1.00 0.00 C ATOM 1009 NH1 ARG A 83 0.750 -10.107 -11.262 1.00 0.00 N ATOM 1010 NH2 ARG A 83 1.367 -8.516 -12.690 1.00 0.00 N ATOM 0 H ARG A 83 7.577 -11.799 -9.274 1.00 0.00 H new ATOM 0 HA ARG A 83 7.113 -9.019 -9.021 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.495 -11.536 -8.595 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.856 -10.025 -7.978 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.315 -9.080 -10.380 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.472 -10.758 -10.864 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.202 -11.261 -10.344 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.037 -9.883 -9.273 1.00 0.00 H new ATOM 0 HE ARG A 83 3.619 -8.836 -11.829 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.961 -10.774 -10.520 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.201 -10.028 -11.621 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.074 -7.903 -13.097 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.402 -8.471 -13.019 1.00 0.00 H new ATOM 1024 N LEU A 84 7.653 -10.614 -6.217 1.00 0.00 N ATOM 1025 CA LEU A 84 7.943 -10.437 -4.792 1.00 0.00 C ATOM 1026 C LEU A 84 8.935 -9.280 -4.551 1.00 0.00 C ATOM 1027 O LEU A 84 8.725 -8.461 -3.657 1.00 0.00 O ATOM 1028 CB LEU A 84 8.459 -11.767 -4.217 1.00 0.00 C ATOM 1029 CG LEU A 84 8.232 -11.892 -2.702 1.00 0.00 C ATOM 1030 CD1 LEU A 84 6.777 -12.239 -2.374 1.00 0.00 C ATOM 1031 CD2 LEU A 84 9.167 -12.959 -2.133 1.00 0.00 C ATOM 0 H LEU A 84 7.880 -11.545 -6.566 1.00 0.00 H new ATOM 0 HA LEU A 84 7.026 -10.160 -4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.961 -12.594 -4.723 1.00 0.00 H new ATOM 0 HB3 LEU A 84 9.524 -11.859 -4.428 1.00 0.00 H new ATOM 0 HG LEU A 84 8.450 -10.927 -2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.657 -12.319 -1.294 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.121 -11.456 -2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.516 -13.190 -2.839 1.00 0.00 H new ATOM 0 HD21 LEU A 84 9.006 -13.048 -1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.960 -13.916 -2.611 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.202 -12.675 -2.323 1.00 0.00 H new ATOM 1043 N GLU A 85 9.985 -9.174 -5.376 1.00 0.00 N ATOM 1044 CA GLU A 85 10.947 -8.060 -5.325 1.00 0.00 C ATOM 1045 C GLU A 85 10.314 -6.692 -5.642 1.00 0.00 C ATOM 1046 O GLU A 85 10.690 -5.691 -5.029 1.00 0.00 O ATOM 1047 CB GLU A 85 12.126 -8.289 -6.284 1.00 0.00 C ATOM 1048 CG GLU A 85 13.030 -9.461 -5.876 1.00 0.00 C ATOM 1049 CD GLU A 85 14.421 -9.361 -6.536 1.00 0.00 C ATOM 1050 OE1 GLU A 85 14.513 -9.225 -7.781 1.00 0.00 O ATOM 1051 OE2 GLU A 85 15.444 -9.417 -5.809 1.00 0.00 O ATOM 0 H GLU A 85 10.194 -9.860 -6.101 1.00 0.00 H new ATOM 0 HA GLU A 85 11.301 -8.039 -4.294 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.738 -8.472 -7.286 1.00 0.00 H new ATOM 0 HB3 GLU A 85 12.725 -7.379 -6.335 1.00 0.00 H new ATOM 0 HG2 GLU A 85 13.141 -9.475 -4.792 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.558 -10.402 -6.161 1.00 0.00 H new ATOM 1058 N GLU A 86 9.341 -6.627 -6.560 1.00 0.00 N ATOM 1059 CA GLU A 86 8.605 -5.391 -6.870 1.00 0.00 C ATOM 1060 C GLU A 86 7.858 -4.879 -5.623 1.00 0.00 C ATOM 1061 O GLU A 86 8.023 -3.722 -5.230 1.00 0.00 O ATOM 1062 CB GLU A 86 7.660 -5.615 -8.067 1.00 0.00 C ATOM 1063 CG GLU A 86 7.170 -4.309 -8.717 1.00 0.00 C ATOM 1064 CD GLU A 86 8.203 -3.608 -9.635 1.00 0.00 C ATOM 1065 OE1 GLU A 86 9.410 -3.950 -9.623 1.00 0.00 O ATOM 1066 OE2 GLU A 86 7.800 -2.688 -10.388 1.00 0.00 O ATOM 0 H GLU A 86 9.040 -7.431 -7.111 1.00 0.00 H new ATOM 0 HA GLU A 86 9.315 -4.616 -7.159 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.174 -6.214 -8.818 1.00 0.00 H new ATOM 0 HB3 GLU A 86 6.797 -6.192 -7.735 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.275 -4.525 -9.300 1.00 0.00 H new ATOM 0 HG3 GLU A 86 6.877 -3.616 -7.929 1.00 0.00 H new ATOM 1073 N ALA A 87 7.091 -5.751 -4.954 1.00 0.00 N ATOM 1074 CA ALA A 87 6.405 -5.441 -3.693 1.00 0.00 C ATOM 1075 C ALA A 87 7.376 -5.006 -2.582 1.00 0.00 C ATOM 1076 O ALA A 87 7.070 -4.086 -1.819 1.00 0.00 O ATOM 1077 CB ALA A 87 5.599 -6.665 -3.239 1.00 0.00 C ATOM 0 H ALA A 87 6.928 -6.704 -5.278 1.00 0.00 H new ATOM 0 HA ALA A 87 5.740 -4.598 -3.878 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.089 -6.438 -2.303 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.863 -6.919 -4.001 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.272 -7.509 -3.089 1.00 0.00 H new ATOM 1083 N ALA A 88 8.561 -5.620 -2.513 1.00 0.00 N ATOM 1084 CA ALA A 88 9.597 -5.244 -1.553 1.00 0.00 C ATOM 1085 C ALA A 88 10.057 -3.777 -1.701 1.00 0.00 C ATOM 1086 O ALA A 88 10.482 -3.165 -0.722 1.00 0.00 O ATOM 1087 CB ALA A 88 10.766 -6.232 -1.639 1.00 0.00 C ATOM 0 H ALA A 88 8.827 -6.393 -3.123 1.00 0.00 H new ATOM 0 HA ALA A 88 9.163 -5.303 -0.555 1.00 0.00 H new ATOM 0 HB1 ALA A 88 11.536 -5.948 -0.922 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.411 -7.237 -1.411 1.00 0.00 H new ATOM 0 HB3 ALA A 88 11.184 -6.215 -2.646 1.00 0.00 H new ATOM 1093 N SER A 89 9.942 -3.183 -2.897 1.00 0.00 N ATOM 1094 CA SER A 89 10.251 -1.765 -3.130 1.00 0.00 C ATOM 1095 C SER A 89 9.112 -0.859 -2.653 1.00 0.00 C ATOM 1096 O SER A 89 9.357 0.141 -1.977 1.00 0.00 O ATOM 1097 CB SER A 89 10.553 -1.510 -4.611 1.00 0.00 C ATOM 1098 OG SER A 89 11.135 -0.226 -4.762 1.00 0.00 O ATOM 0 H SER A 89 9.630 -3.675 -3.734 1.00 0.00 H new ATOM 0 HA SER A 89 11.140 -1.522 -2.547 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.230 -2.275 -4.992 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.636 -1.576 -5.196 1.00 0.00 H new ATOM 0 HG SER A 89 11.329 -0.064 -5.709 1.00 0.00 H new ATOM 1104 N ARG A 90 7.853 -1.241 -2.919 1.00 0.00 N ATOM 1105 CA ARG A 90 6.648 -0.532 -2.444 1.00 0.00 C ATOM 1106 C ARG A 90 6.622 -0.410 -0.916 1.00 0.00 C ATOM 1107 O ARG A 90 6.375 0.672 -0.385 1.00 0.00 O ATOM 1108 CB ARG A 90 5.368 -1.217 -2.959 1.00 0.00 C ATOM 1109 CG ARG A 90 5.295 -1.451 -4.478 1.00 0.00 C ATOM 1110 CD ARG A 90 5.412 -0.178 -5.325 1.00 0.00 C ATOM 1111 NE ARG A 90 4.227 0.695 -5.198 1.00 0.00 N ATOM 1112 CZ ARG A 90 4.077 1.901 -5.718 1.00 0.00 C ATOM 1113 NH1 ARG A 90 5.029 2.497 -6.379 1.00 0.00 N ATOM 1114 NH2 ARG A 90 2.951 2.538 -5.598 1.00 0.00 N ATOM 0 H ARG A 90 7.637 -2.065 -3.480 1.00 0.00 H new ATOM 0 HA ARG A 90 6.686 0.478 -2.851 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.267 -2.180 -2.458 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.511 -0.612 -2.663 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.091 -2.138 -4.766 1.00 0.00 H new ATOM 0 HG3 ARG A 90 4.350 -1.942 -4.712 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.301 0.375 -5.023 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.547 -0.452 -6.371 1.00 0.00 H new ATOM 0 HE ARG A 90 3.445 0.330 -4.654 1.00 0.00 H new ATOM 0 HH11 ARG A 90 5.927 2.032 -6.510 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.876 3.428 -6.766 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.172 2.108 -5.099 1.00 0.00 H new ATOM 0 HH22 ARG A 90 2.846 3.468 -6.003 1.00 0.00 H new ATOM 1128 N LEU A 91 6.926 -1.502 -0.207 1.00 0.00 N ATOM 1129 CA LEU A 91 6.984 -1.524 1.261 1.00 0.00 C ATOM 1130 C LEU A 91 8.175 -0.731 1.822 1.00 0.00 C ATOM 1131 O LEU A 91 8.048 -0.113 2.872 1.00 0.00 O ATOM 1132 CB LEU A 91 6.903 -2.985 1.760 1.00 0.00 C ATOM 1133 CG LEU A 91 8.212 -3.774 1.946 1.00 0.00 C ATOM 1134 CD1 LEU A 91 8.909 -3.452 3.270 1.00 0.00 C ATOM 1135 CD2 LEU A 91 7.918 -5.277 1.934 1.00 0.00 C ATOM 0 H LEU A 91 7.140 -2.402 -0.637 1.00 0.00 H new ATOM 0 HA LEU A 91 6.116 -0.998 1.657 1.00 0.00 H new ATOM 0 HB2 LEU A 91 6.381 -2.979 2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.279 -3.540 1.060 1.00 0.00 H new ATOM 0 HG LEU A 91 8.867 -3.485 1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.826 -4.036 3.350 1.00 0.00 H new ATOM 0 HD12 LEU A 91 9.151 -2.390 3.305 1.00 0.00 H new ATOM 0 HD13 LEU A 91 8.247 -3.701 4.100 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.848 -5.831 2.066 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.232 -5.520 2.746 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.464 -5.551 0.982 1.00 0.00 H new ATOM 1147 N GLN A 92 9.323 -0.708 1.138 1.00 0.00 N ATOM 1148 CA GLN A 92 10.505 0.057 1.524 1.00 0.00 C ATOM 1149 C GLN A 92 10.313 1.568 1.346 1.00 0.00 C ATOM 1150 O GLN A 92 10.586 2.354 2.253 1.00 0.00 O ATOM 1151 CB GLN A 92 11.669 -0.528 0.721 1.00 0.00 C ATOM 1152 CG GLN A 92 12.905 0.351 0.587 1.00 0.00 C ATOM 1153 CD GLN A 92 13.484 0.863 1.908 1.00 0.00 C ATOM 1154 OE1 GLN A 92 13.629 0.142 2.886 1.00 0.00 O ATOM 1155 NE2 GLN A 92 13.848 2.127 1.981 1.00 0.00 N ATOM 0 H GLN A 92 9.456 -1.237 0.276 1.00 0.00 H new ATOM 0 HA GLN A 92 10.710 -0.036 2.590 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.967 -1.468 1.185 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.309 -0.767 -0.280 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.678 -0.213 0.064 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.656 1.208 -0.039 1.00 0.00 H new ATOM 0 HE21 GLN A 92 13.732 2.738 1.173 1.00 0.00 H new ATOM 0 HE22 GLN A 92 14.245 2.494 2.846 1.00 0.00 H new ATOM 1164 N GLY A 93 9.796 1.969 0.188 1.00 0.00 N ATOM 1165 CA GLY A 93 9.471 3.358 -0.175 1.00 0.00 C ATOM 1166 C GLY A 93 8.507 4.032 0.807 1.00 0.00 C ATOM 1167 O GLY A 93 8.517 5.255 0.949 1.00 0.00 O ATOM 0 H GLY A 93 9.580 1.311 -0.561 1.00 0.00 H new ATOM 0 HA2 GLY A 93 10.392 3.938 -0.225 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.031 3.372 -1.172 1.00 0.00 H new ATOM 1171 N LEU A 94 7.701 3.244 1.527 1.00 0.00 N ATOM 1172 CA LEU A 94 6.801 3.739 2.565 1.00 0.00 C ATOM 1173 C LEU A 94 7.569 4.366 3.740 1.00 0.00 C ATOM 1174 O LEU A 94 7.075 5.315 4.337 1.00 0.00 O ATOM 1175 CB LEU A 94 5.916 2.587 3.071 1.00 0.00 C ATOM 1176 CG LEU A 94 4.510 2.565 2.469 1.00 0.00 C ATOM 1177 CD1 LEU A 94 3.762 1.388 3.087 1.00 0.00 C ATOM 1178 CD2 LEU A 94 3.753 3.864 2.760 1.00 0.00 C ATOM 0 H LEU A 94 7.658 2.233 1.401 1.00 0.00 H new ATOM 0 HA LEU A 94 6.180 4.520 2.126 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.409 1.641 2.849 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.834 2.657 4.156 1.00 0.00 H new ATOM 0 HG LEU A 94 4.582 2.465 1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.753 1.343 2.678 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.288 0.461 2.857 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.710 1.517 4.168 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.758 3.812 2.317 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.664 3.999 3.838 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.297 4.706 2.332 1.00 0.00 H new ATOM 1190 N GLN A 95 8.779 3.897 4.063 1.00 0.00 N ATOM 1191 CA GLN A 95 9.600 4.478 5.135 1.00 0.00 C ATOM 1192 C GLN A 95 10.047 5.909 4.794 1.00 0.00 C ATOM 1193 O GLN A 95 10.067 6.781 5.664 1.00 0.00 O ATOM 1194 CB GLN A 95 10.809 3.570 5.434 1.00 0.00 C ATOM 1195 CG GLN A 95 11.023 3.408 6.949 1.00 0.00 C ATOM 1196 CD GLN A 95 12.071 2.352 7.313 1.00 0.00 C ATOM 1197 OE1 GLN A 95 12.493 1.519 6.521 1.00 0.00 O ATOM 1198 NE2 GLN A 95 12.528 2.328 8.547 1.00 0.00 N ATOM 0 H GLN A 95 9.217 3.106 3.591 1.00 0.00 H new ATOM 0 HA GLN A 95 8.987 4.542 6.034 1.00 0.00 H new ATOM 0 HB2 GLN A 95 10.653 2.592 4.980 1.00 0.00 H new ATOM 0 HB3 GLN A 95 11.706 3.993 4.981 1.00 0.00 H new ATOM 0 HG2 GLN A 95 11.326 4.367 7.369 1.00 0.00 H new ATOM 0 HG3 GLN A 95 10.074 3.141 7.415 1.00 0.00 H new ATOM 0 HE21 GLN A 95 12.194 3.010 9.228 1.00 0.00 H new ATOM 0 HE22 GLN A 95 13.216 1.627 8.822 1.00 0.00 H new ATOM 1207 N LYS A 96 10.351 6.174 3.513 1.00 0.00 N ATOM 1208 CA LYS A 96 10.737 7.499 2.995 1.00 0.00 C ATOM 1209 C LYS A 96 9.639 8.555 3.134 1.00 0.00 C ATOM 1210 O LYS A 96 9.962 9.726 3.332 1.00 0.00 O ATOM 1211 CB LYS A 96 11.236 7.375 1.540 1.00 0.00 C ATOM 1212 CG LYS A 96 12.733 7.026 1.486 1.00 0.00 C ATOM 1213 CD LYS A 96 13.656 8.218 1.814 1.00 0.00 C ATOM 1214 CE LYS A 96 13.818 9.223 0.662 1.00 0.00 C ATOM 1215 NZ LYS A 96 14.639 8.673 -0.450 1.00 0.00 N ATOM 0 H LYS A 96 10.335 5.455 2.790 1.00 0.00 H new ATOM 0 HA LYS A 96 11.555 7.859 3.619 1.00 0.00 H new ATOM 0 HB2 LYS A 96 10.663 6.606 1.022 1.00 0.00 H new ATOM 0 HB3 LYS A 96 11.061 8.313 1.013 1.00 0.00 H new ATOM 0 HG2 LYS A 96 12.935 6.217 2.188 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.975 6.653 0.491 1.00 0.00 H new ATOM 0 HD2 LYS A 96 13.261 8.741 2.685 1.00 0.00 H new ATOM 0 HD3 LYS A 96 14.639 7.837 2.090 1.00 0.00 H new ATOM 0 HE2 LYS A 96 12.834 9.501 0.283 1.00 0.00 H new ATOM 0 HE3 LYS A 96 14.283 10.134 1.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 14.751 9.396 -1.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 15.575 8.400 -0.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 14.166 7.838 -0.851 1.00 0.00 H new ATOM 1229 N LEU A 97 8.362 8.159 3.088 1.00 0.00 N ATOM 1230 CA LEU A 97 7.222 9.044 3.313 1.00 0.00 C ATOM 1231 C LEU A 97 7.315 9.639 4.728 1.00 0.00 C ATOM 1232 O LEU A 97 7.325 10.860 4.882 1.00 0.00 O ATOM 1233 CB LEU A 97 5.936 8.236 3.054 1.00 0.00 C ATOM 1234 CG LEU A 97 4.640 8.843 3.589 1.00 0.00 C ATOM 1235 CD1 LEU A 97 4.340 10.238 3.047 1.00 0.00 C ATOM 1236 CD2 LEU A 97 3.486 7.899 3.253 1.00 0.00 C ATOM 0 H LEU A 97 8.091 7.196 2.889 1.00 0.00 H new ATOM 0 HA LEU A 97 7.215 9.893 2.630 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.830 8.095 1.978 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.058 7.246 3.494 1.00 0.00 H new ATOM 0 HG LEU A 97 4.760 8.961 4.666 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.405 10.601 3.473 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.149 10.916 3.319 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.252 10.195 1.961 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.552 8.318 3.628 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.420 7.776 2.172 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.662 6.929 3.719 1.00 0.00 H new ATOM 1248 N ILE A 98 7.462 8.787 5.752 1.00 0.00 N ATOM 1249 CA ILE A 98 7.623 9.241 7.142 1.00 0.00 C ATOM 1250 C ILE A 98 8.945 9.965 7.360 1.00 0.00 C ATOM 1251 O ILE A 98 8.953 10.992 8.024 1.00 0.00 O ATOM 1252 CB ILE A 98 7.487 8.099 8.170 1.00 0.00 C ATOM 1253 CG1 ILE A 98 6.173 7.327 7.954 1.00 0.00 C ATOM 1254 CG2 ILE A 98 7.521 8.670 9.589 1.00 0.00 C ATOM 1255 CD1 ILE A 98 6.450 5.974 7.313 1.00 0.00 C ATOM 0 H ILE A 98 7.473 7.773 5.643 1.00 0.00 H new ATOM 0 HA ILE A 98 6.804 9.941 7.307 1.00 0.00 H new ATOM 0 HB ILE A 98 8.322 7.412 8.034 1.00 0.00 H new ATOM 0 HG12 ILE A 98 5.665 7.187 8.908 1.00 0.00 H new ATOM 0 HG13 ILE A 98 5.504 7.907 7.319 1.00 0.00 H new ATOM 0 HG21 ILE A 98 7.424 7.858 10.310 1.00 0.00 H new ATOM 0 HG22 ILE A 98 8.466 9.188 9.750 1.00 0.00 H new ATOM 0 HG23 ILE A 98 6.696 9.371 9.719 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.510 5.441 7.167 1.00 0.00 H new ATOM 0 HD12 ILE A 98 6.937 6.121 6.349 1.00 0.00 H new ATOM 0 HD13 ILE A 98 7.101 5.390 7.963 1.00 0.00 H new ATOM 1267 N ASN A 99 10.056 9.472 6.801 1.00 0.00 N ATOM 1268 CA ASN A 99 11.382 10.085 6.952 1.00 0.00 C ATOM 1269 C ASN A 99 11.388 11.585 6.577 1.00 0.00 C ATOM 1270 O ASN A 99 12.127 12.369 7.172 1.00 0.00 O ATOM 1271 CB ASN A 99 12.382 9.275 6.111 1.00 0.00 C ATOM 1272 CG ASN A 99 13.834 9.591 6.439 1.00 0.00 C ATOM 1273 OD1 ASN A 99 14.410 10.562 5.971 1.00 0.00 O ATOM 1274 ND2 ASN A 99 14.484 8.760 7.224 1.00 0.00 N ATOM 0 H ASN A 99 10.061 8.629 6.226 1.00 0.00 H new ATOM 0 HA ASN A 99 11.674 10.055 8.002 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.203 8.212 6.270 1.00 0.00 H new ATOM 0 HB3 ASN A 99 12.203 9.474 5.054 1.00 0.00 H new ATOM 0 HD21 ASN A 99 15.467 8.927 7.441 1.00 0.00 H new ATOM 0 HD22 ASN A 99 14.006 7.949 7.616 1.00 0.00 H new ATOM 1281 N ASP A 100 10.534 11.993 5.630 1.00 0.00 N ATOM 1282 CA ASP A 100 10.350 13.398 5.243 1.00 0.00 C ATOM 1283 C ASP A 100 9.552 14.192 6.302 1.00 0.00 C ATOM 1284 O ASP A 100 10.060 15.160 6.873 1.00 0.00 O ATOM 1285 CB ASP A 100 9.681 13.472 3.863 1.00 0.00 C ATOM 1286 CG ASP A 100 9.653 14.919 3.343 1.00 0.00 C ATOM 1287 OD1 ASP A 100 10.700 15.401 2.845 1.00 0.00 O ATOM 1288 OD2 ASP A 100 8.591 15.579 3.428 1.00 0.00 O ATOM 0 H ASP A 100 9.944 11.349 5.104 1.00 0.00 H new ATOM 0 HA ASP A 100 11.332 13.867 5.184 1.00 0.00 H new ATOM 0 HB2 ASP A 100 10.220 12.839 3.159 1.00 0.00 H new ATOM 0 HB3 ASP A 100 8.664 13.084 3.926 1.00 0.00 H new ATOM 1293 N SER A 101 8.312 13.779 6.592 1.00 0.00 N ATOM 1294 CA SER A 101 7.382 14.402 7.554 1.00 0.00 C ATOM 1295 C SER A 101 7.582 13.972 9.023 1.00 0.00 C ATOM 1296 O SER A 101 6.694 14.142 9.858 1.00 0.00 O ATOM 1297 CB SER A 101 5.932 14.182 7.090 1.00 0.00 C ATOM 1298 OG SER A 101 5.664 12.835 6.737 1.00 0.00 O ATOM 0 H SER A 101 7.905 12.959 6.141 1.00 0.00 H new ATOM 0 HA SER A 101 7.613 15.467 7.556 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.251 14.486 7.885 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.729 14.824 6.233 1.00 0.00 H new ATOM 0 HG SER A 101 4.730 12.751 6.452 1.00 0.00 H new ATOM 1304 N VAL A 102 8.744 13.428 9.382 1.00 0.00 N ATOM 1305 CA VAL A 102 9.038 12.869 10.714 1.00 0.00 C ATOM 1306 C VAL A 102 8.892 13.888 11.850 1.00 0.00 C ATOM 1307 O VAL A 102 8.335 13.571 12.901 1.00 0.00 O ATOM 1308 CB VAL A 102 10.439 12.220 10.721 1.00 0.00 C ATOM 1309 CG1 VAL A 102 11.566 13.219 10.434 1.00 0.00 C ATOM 1310 CG2 VAL A 102 10.719 11.526 12.054 1.00 0.00 C ATOM 0 H VAL A 102 9.534 13.359 8.740 1.00 0.00 H new ATOM 0 HA VAL A 102 8.286 12.104 10.908 1.00 0.00 H new ATOM 0 HB VAL A 102 10.426 11.487 9.914 1.00 0.00 H new ATOM 0 HG11 VAL A 102 12.525 12.701 10.453 1.00 0.00 H new ATOM 0 HG12 VAL A 102 11.414 13.666 9.452 1.00 0.00 H new ATOM 0 HG13 VAL A 102 11.561 14.001 11.193 1.00 0.00 H new ATOM 0 HG21 VAL A 102 11.712 11.078 12.029 1.00 0.00 H new ATOM 0 HG22 VAL A 102 10.670 12.256 12.862 1.00 0.00 H new ATOM 0 HG23 VAL A 102 9.974 10.748 12.223 1.00 0.00 H new ATOM 1320 N PHE A 103 9.339 15.128 11.634 1.00 0.00 N ATOM 1321 CA PHE A 103 9.207 16.244 12.581 1.00 0.00 C ATOM 1322 C PHE A 103 7.799 16.865 12.582 1.00 0.00 C ATOM 1323 O PHE A 103 7.501 17.734 13.404 1.00 0.00 O ATOM 1324 CB PHE A 103 10.256 17.316 12.243 1.00 0.00 C ATOM 1325 CG PHE A 103 11.682 16.804 12.121 1.00 0.00 C ATOM 1326 CD1 PHE A 103 12.234 15.977 13.121 1.00 0.00 C ATOM 1327 CD2 PHE A 103 12.456 17.140 10.993 1.00 0.00 C ATOM 1328 CE1 PHE A 103 13.540 15.475 12.981 1.00 0.00 C ATOM 1329 CE2 PHE A 103 13.765 16.645 10.858 1.00 0.00 C ATOM 1330 CZ PHE A 103 14.305 15.807 11.849 1.00 0.00 C ATOM 0 H PHE A 103 9.816 15.393 10.772 1.00 0.00 H new ATOM 0 HA PHE A 103 9.373 15.848 13.583 1.00 0.00 H new ATOM 0 HB2 PHE A 103 9.976 17.794 11.304 1.00 0.00 H new ATOM 0 HB3 PHE A 103 10.227 18.087 13.013 1.00 0.00 H new ATOM 0 HD1 PHE A 103 11.652 15.729 13.996 1.00 0.00 H new ATOM 0 HD2 PHE A 103 12.042 17.781 10.228 1.00 0.00 H new ATOM 0 HE1 PHE A 103 13.956 14.834 13.744 1.00 0.00 H new ATOM 0 HE2 PHE A 103 14.356 16.909 9.993 1.00 0.00 H new ATOM 0 HZ PHE A 103 15.307 15.418 11.741 1.00 0.00 H new ATOM 1340 N PHE A 104 6.936 16.423 11.663 1.00 0.00 N ATOM 1341 CA PHE A 104 5.546 16.886 11.532 1.00 0.00 C ATOM 1342 C PHE A 104 4.585 15.921 12.240 1.00 0.00 C ATOM 1343 O PHE A 104 3.711 16.347 12.999 1.00 0.00 O ATOM 1344 CB PHE A 104 5.212 17.082 10.041 1.00 0.00 C ATOM 1345 CG PHE A 104 3.746 16.988 9.679 1.00 0.00 C ATOM 1346 CD1 PHE A 104 3.196 15.739 9.343 1.00 0.00 C ATOM 1347 CD2 PHE A 104 2.931 18.133 9.681 1.00 0.00 C ATOM 1348 CE1 PHE A 104 1.838 15.615 9.024 1.00 0.00 C ATOM 1349 CE2 PHE A 104 1.572 18.018 9.342 1.00 0.00 C ATOM 1350 CZ PHE A 104 1.028 16.759 9.022 1.00 0.00 C ATOM 0 H PHE A 104 7.188 15.717 10.972 1.00 0.00 H new ATOM 0 HA PHE A 104 5.425 17.850 12.025 1.00 0.00 H new ATOM 0 HB2 PHE A 104 5.582 18.059 9.730 1.00 0.00 H new ATOM 0 HB3 PHE A 104 5.758 16.336 9.464 1.00 0.00 H new ATOM 0 HD1 PHE A 104 3.829 14.864 9.331 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.347 19.095 9.941 1.00 0.00 H new ATOM 0 HE1 PHE A 104 1.420 14.649 8.782 1.00 0.00 H new ATOM 0 HE2 PHE A 104 0.944 18.896 9.327 1.00 0.00 H new ATOM 0 HZ PHE A 104 -0.020 16.674 8.774 1.00 0.00 H new ATOM 1360 N LEU A 105 4.775 14.618 12.022 1.00 0.00 N ATOM 1361 CA LEU A 105 4.030 13.550 12.679 1.00 0.00 C ATOM 1362 C LEU A 105 4.315 13.510 14.188 1.00 0.00 C ATOM 1363 O LEU A 105 5.467 13.605 14.619 1.00 0.00 O ATOM 1364 CB LEU A 105 4.400 12.216 12.008 1.00 0.00 C ATOM 1365 CG LEU A 105 3.941 12.120 10.545 1.00 0.00 C ATOM 1366 CD1 LEU A 105 4.491 10.853 9.909 1.00 0.00 C ATOM 1367 CD2 LEU A 105 2.420 12.176 10.420 1.00 0.00 C ATOM 0 H LEU A 105 5.472 14.270 11.364 1.00 0.00 H new ATOM 0 HA LEU A 105 2.961 13.734 12.570 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.481 12.084 12.051 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.956 11.398 12.575 1.00 0.00 H new ATOM 0 HG LEU A 105 4.336 12.985 10.012 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.160 10.793 8.872 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.580 10.873 9.942 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.127 9.984 10.456 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.138 12.105 9.369 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.979 11.345 10.971 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.056 13.118 10.830 1.00 0.00 H new ATOM 1379 N ALA A 106 3.260 13.366 14.996 1.00 0.00 N ATOM 1380 CA ALA A 106 3.384 13.204 16.445 1.00 0.00 C ATOM 1381 C ALA A 106 4.180 11.926 16.779 1.00 0.00 C ATOM 1382 O ALA A 106 4.162 10.968 16.006 1.00 0.00 O ATOM 1383 CB ALA A 106 1.972 13.152 17.050 1.00 0.00 C ATOM 0 H ALA A 106 2.296 13.359 14.662 1.00 0.00 H new ATOM 0 HA ALA A 106 3.930 14.046 16.871 1.00 0.00 H new ATOM 0 HB1 ALA A 106 2.044 13.031 18.131 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.444 14.078 16.822 1.00 0.00 H new ATOM 0 HB3 ALA A 106 1.425 12.309 16.626 1.00 0.00 H new ATOM 1389 N ALA A 107 4.807 11.858 17.959 1.00 0.00 N ATOM 1390 CA ALA A 107 5.538 10.663 18.412 1.00 0.00 C ATOM 1391 C ALA A 107 4.666 9.384 18.394 1.00 0.00 C ATOM 1392 O ALA A 107 5.160 8.289 18.118 1.00 0.00 O ATOM 1393 CB ALA A 107 6.116 10.948 19.803 1.00 0.00 C ATOM 0 H ALA A 107 4.824 12.628 18.628 1.00 0.00 H new ATOM 0 HA ALA A 107 6.349 10.459 17.713 1.00 0.00 H new ATOM 0 HB1 ALA A 107 6.662 10.073 20.156 1.00 0.00 H new ATOM 0 HB2 ALA A 107 6.793 11.801 19.748 1.00 0.00 H new ATOM 0 HB3 ALA A 107 5.305 11.173 20.495 1.00 0.00 H new ATOM 1399 N TYR A 108 3.359 9.538 18.634 1.00 0.00 N ATOM 1400 CA TYR A 108 2.344 8.485 18.564 1.00 0.00 C ATOM 1401 C TYR A 108 2.178 7.973 17.120 1.00 0.00 C ATOM 1402 O TYR A 108 2.349 6.786 16.843 1.00 0.00 O ATOM 1403 CB TYR A 108 1.034 9.052 19.134 1.00 0.00 C ATOM 1404 CG TYR A 108 -0.181 8.163 18.953 1.00 0.00 C ATOM 1405 CD1 TYR A 108 -0.373 7.045 19.788 1.00 0.00 C ATOM 1406 CD2 TYR A 108 -1.122 8.460 17.948 1.00 0.00 C ATOM 1407 CE1 TYR A 108 -1.508 6.228 19.620 1.00 0.00 C ATOM 1408 CE2 TYR A 108 -2.257 7.646 17.776 1.00 0.00 C ATOM 1409 CZ TYR A 108 -2.455 6.525 18.615 1.00 0.00 C ATOM 1410 OH TYR A 108 -3.555 5.736 18.468 1.00 0.00 O ATOM 0 H TYR A 108 2.964 10.442 18.894 1.00 0.00 H new ATOM 0 HA TYR A 108 2.649 7.622 19.156 1.00 0.00 H new ATOM 0 HB2 TYR A 108 1.171 9.243 20.198 1.00 0.00 H new ATOM 0 HB3 TYR A 108 0.836 10.014 18.661 1.00 0.00 H new ATOM 0 HD1 TYR A 108 0.350 6.814 20.557 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -0.972 9.316 17.307 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -1.655 5.372 20.262 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -2.976 7.877 17.004 1.00 0.00 H new ATOM 0 HH TYR A 108 -4.106 6.077 17.733 1.00 0.00 H new ATOM 1420 N ASP A 109 1.879 8.879 16.186 1.00 0.00 N ATOM 1421 CA ASP A 109 1.634 8.591 14.766 1.00 0.00 C ATOM 1422 C ASP A 109 2.888 8.084 14.033 1.00 0.00 C ATOM 1423 O ASP A 109 2.804 7.218 13.158 1.00 0.00 O ATOM 1424 CB ASP A 109 1.095 9.856 14.089 1.00 0.00 C ATOM 1425 CG ASP A 109 -0.229 9.587 13.357 1.00 0.00 C ATOM 1426 OD1 ASP A 109 -1.241 9.290 14.038 1.00 0.00 O ATOM 1427 OD2 ASP A 109 -0.262 9.686 12.111 1.00 0.00 O ATOM 0 H ASP A 109 1.797 9.872 16.404 1.00 0.00 H new ATOM 0 HA ASP A 109 0.901 7.786 14.710 1.00 0.00 H new ATOM 0 HB2 ASP A 109 0.946 10.634 14.837 1.00 0.00 H new ATOM 0 HB3 ASP A 109 1.833 10.232 13.381 1.00 0.00 H new ATOM 1432 N LEU A 110 4.060 8.600 14.415 1.00 0.00 N ATOM 1433 CA LEU A 110 5.365 8.176 13.919 1.00 0.00 C ATOM 1434 C LEU A 110 5.563 6.685 14.212 1.00 0.00 C ATOM 1435 O LEU A 110 5.806 5.898 13.296 1.00 0.00 O ATOM 1436 CB LEU A 110 6.444 9.066 14.570 1.00 0.00 C ATOM 1437 CG LEU A 110 7.903 8.686 14.256 1.00 0.00 C ATOM 1438 CD1 LEU A 110 8.165 8.587 12.760 1.00 0.00 C ATOM 1439 CD2 LEU A 110 8.836 9.757 14.811 1.00 0.00 C ATOM 0 H LEU A 110 4.124 9.351 15.103 1.00 0.00 H new ATOM 0 HA LEU A 110 5.440 8.296 12.838 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.280 10.096 14.252 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.306 9.040 15.651 1.00 0.00 H new ATOM 0 HG LEU A 110 8.083 7.713 14.713 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.207 8.317 12.590 1.00 0.00 H new ATOM 0 HD12 LEU A 110 7.517 7.825 12.327 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.958 9.549 12.290 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.869 9.490 14.590 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.603 10.717 14.350 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.704 9.831 15.890 1.00 0.00 H new ATOM 1451 N ARG A 111 5.395 6.281 15.481 1.00 0.00 N ATOM 1452 CA ARG A 111 5.491 4.875 15.901 1.00 0.00 C ATOM 1453 C ARG A 111 4.442 3.974 15.247 1.00 0.00 C ATOM 1454 O ARG A 111 4.740 2.825 14.924 1.00 0.00 O ATOM 1455 CB ARG A 111 5.473 4.779 17.438 1.00 0.00 C ATOM 1456 CG ARG A 111 6.171 3.503 17.941 1.00 0.00 C ATOM 1457 CD ARG A 111 5.844 3.232 19.414 1.00 0.00 C ATOM 1458 NE ARG A 111 6.519 2.011 19.899 1.00 0.00 N ATOM 1459 CZ ARG A 111 6.393 1.449 21.088 1.00 0.00 C ATOM 1460 NH1 ARG A 111 5.628 1.957 22.014 1.00 0.00 N ATOM 1461 NH2 ARG A 111 7.038 0.354 21.374 1.00 0.00 N ATOM 0 H ARG A 111 5.188 6.923 16.247 1.00 0.00 H new ATOM 0 HA ARG A 111 6.447 4.493 15.544 1.00 0.00 H new ATOM 0 HB2 ARG A 111 5.966 5.654 17.862 1.00 0.00 H new ATOM 0 HB3 ARG A 111 4.442 4.792 17.791 1.00 0.00 H new ATOM 0 HG2 ARG A 111 5.859 2.652 17.335 1.00 0.00 H new ATOM 0 HG3 ARG A 111 7.249 3.604 17.818 1.00 0.00 H new ATOM 0 HD2 ARG A 111 6.151 4.085 20.020 1.00 0.00 H new ATOM 0 HD3 ARG A 111 4.766 3.127 19.536 1.00 0.00 H new ATOM 0 HE ARG A 111 7.152 1.551 19.244 1.00 0.00 H new ATOM 0 HH11 ARG A 111 5.105 2.813 21.830 1.00 0.00 H new ATOM 0 HH12 ARG A 111 5.553 1.498 22.922 1.00 0.00 H new ATOM 0 HH21 ARG A 111 7.646 -0.076 20.677 1.00 0.00 H new ATOM 0 HH22 ARG A 111 6.935 -0.073 22.295 1.00 0.00 H new ATOM 1475 N GLN A 112 3.254 4.512 14.990 1.00 0.00 N ATOM 1476 CA GLN A 112 2.157 3.814 14.299 1.00 0.00 C ATOM 1477 C GLN A 112 2.542 3.447 12.853 1.00 0.00 C ATOM 1478 O GLN A 112 2.498 2.270 12.490 1.00 0.00 O ATOM 1479 CB GLN A 112 0.858 4.643 14.345 1.00 0.00 C ATOM 1480 CG GLN A 112 0.162 4.647 15.720 1.00 0.00 C ATOM 1481 CD GLN A 112 -1.007 3.665 15.789 1.00 0.00 C ATOM 1482 OE1 GLN A 112 -2.172 4.039 15.800 1.00 0.00 O ATOM 1483 NE2 GLN A 112 -0.763 2.369 15.818 1.00 0.00 N ATOM 0 H GLN A 112 3.014 5.466 15.259 1.00 0.00 H new ATOM 0 HA GLN A 112 1.973 2.880 14.830 1.00 0.00 H new ATOM 0 HB2 GLN A 112 1.085 5.671 14.062 1.00 0.00 H new ATOM 0 HB3 GLN A 112 0.164 4.253 13.600 1.00 0.00 H new ATOM 0 HG2 GLN A 112 0.889 4.396 16.492 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -0.199 5.652 15.938 1.00 0.00 H new ATOM 0 HE21 GLN A 112 0.199 2.031 15.810 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -1.537 1.705 15.849 1.00 0.00 H new ATOM 1492 N GLY A 113 2.952 4.422 12.032 1.00 0.00 N ATOM 1493 CA GLY A 113 3.335 4.187 10.634 1.00 0.00 C ATOM 1494 C GLY A 113 4.623 3.373 10.477 1.00 0.00 C ATOM 1495 O GLY A 113 4.695 2.482 9.632 1.00 0.00 O ATOM 0 H GLY A 113 3.028 5.398 12.319 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.523 3.667 10.127 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.460 5.148 10.134 1.00 0.00 H new ATOM 1499 N GLN A 114 5.634 3.630 11.311 1.00 0.00 N ATOM 1500 CA GLN A 114 6.897 2.879 11.303 1.00 0.00 C ATOM 1501 C GLN A 114 6.693 1.376 11.590 1.00 0.00 C ATOM 1502 O GLN A 114 7.286 0.540 10.907 1.00 0.00 O ATOM 1503 CB GLN A 114 7.872 3.513 12.307 1.00 0.00 C ATOM 1504 CG GLN A 114 8.431 4.868 11.833 1.00 0.00 C ATOM 1505 CD GLN A 114 9.609 4.726 10.873 1.00 0.00 C ATOM 1506 OE1 GLN A 114 9.470 4.724 9.658 1.00 0.00 O ATOM 1507 NE2 GLN A 114 10.819 4.616 11.381 1.00 0.00 N ATOM 0 H GLN A 114 5.602 4.368 12.015 1.00 0.00 H new ATOM 0 HA GLN A 114 7.321 2.938 10.300 1.00 0.00 H new ATOM 0 HB2 GLN A 114 7.363 3.650 13.261 1.00 0.00 H new ATOM 0 HB3 GLN A 114 8.700 2.827 12.483 1.00 0.00 H new ATOM 0 HG2 GLN A 114 7.636 5.431 11.343 1.00 0.00 H new ATOM 0 HG3 GLN A 114 8.745 5.449 12.701 1.00 0.00 H new ATOM 0 HE21 GLN A 114 10.949 4.616 12.393 1.00 0.00 H new ATOM 0 HE22 GLN A 114 11.626 4.531 10.763 1.00 0.00 H new ATOM 1516 N GLU A 115 5.837 1.004 12.551 1.00 0.00 N ATOM 1517 CA GLU A 115 5.498 -0.409 12.821 1.00 0.00 C ATOM 1518 C GLU A 115 4.669 -1.072 11.715 1.00 0.00 C ATOM 1519 O GLU A 115 4.782 -2.278 11.480 1.00 0.00 O ATOM 1520 CB GLU A 115 4.770 -0.556 14.164 1.00 0.00 C ATOM 1521 CG GLU A 115 5.702 -0.904 15.338 1.00 0.00 C ATOM 1522 CD GLU A 115 5.446 -2.336 15.854 1.00 0.00 C ATOM 1523 OE1 GLU A 115 4.423 -2.562 16.547 1.00 0.00 O ATOM 1524 OE2 GLU A 115 6.266 -3.245 15.577 1.00 0.00 O ATOM 0 H GLU A 115 5.360 1.666 13.163 1.00 0.00 H new ATOM 0 HA GLU A 115 6.455 -0.930 12.856 1.00 0.00 H new ATOM 0 HB2 GLU A 115 4.249 0.375 14.389 1.00 0.00 H new ATOM 0 HB3 GLU A 115 4.010 -1.332 14.072 1.00 0.00 H new ATOM 0 HG2 GLU A 115 6.740 -0.810 15.020 1.00 0.00 H new ATOM 0 HG3 GLU A 115 5.551 -0.191 16.148 1.00 0.00 H new ATOM 1531 N ALA A 116 3.860 -0.290 11.007 1.00 0.00 N ATOM 1532 CA ALA A 116 3.020 -0.780 9.918 1.00 0.00 C ATOM 1533 C ALA A 116 3.847 -1.343 8.745 1.00 0.00 C ATOM 1534 O ALA A 116 3.412 -2.306 8.117 1.00 0.00 O ATOM 1535 CB ALA A 116 2.048 0.315 9.494 1.00 0.00 C ATOM 0 H ALA A 116 3.768 0.712 11.174 1.00 0.00 H new ATOM 0 HA ALA A 116 2.437 -1.627 10.279 1.00 0.00 H new ATOM 0 HB1 ALA A 116 1.421 -0.050 8.681 1.00 0.00 H new ATOM 0 HB2 ALA A 116 1.420 0.592 10.341 1.00 0.00 H new ATOM 0 HB3 ALA A 116 2.607 1.188 9.157 1.00 0.00 H new ATOM 1541 N LEU A 117 5.049 -0.812 8.470 1.00 0.00 N ATOM 1542 CA LEU A 117 5.944 -1.365 7.434 1.00 0.00 C ATOM 1543 C LEU A 117 6.292 -2.839 7.729 1.00 0.00 C ATOM 1544 O LEU A 117 6.322 -3.679 6.825 1.00 0.00 O ATOM 1545 CB LEU A 117 7.263 -0.570 7.365 1.00 0.00 C ATOM 1546 CG LEU A 117 7.284 0.593 6.359 1.00 0.00 C ATOM 1547 CD1 LEU A 117 6.919 1.926 7.010 1.00 0.00 C ATOM 1548 CD2 LEU A 117 8.692 0.721 5.789 1.00 0.00 C ATOM 0 H LEU A 117 5.427 0.004 8.952 1.00 0.00 H new ATOM 0 HA LEU A 117 5.413 -1.292 6.485 1.00 0.00 H new ATOM 0 HB2 LEU A 117 7.480 -0.173 8.357 1.00 0.00 H new ATOM 0 HB3 LEU A 117 8.069 -1.259 7.114 1.00 0.00 H new ATOM 0 HG LEU A 117 6.549 0.374 5.585 1.00 0.00 H new ATOM 0 HD11 LEU A 117 6.947 2.717 6.260 1.00 0.00 H new ATOM 0 HD12 LEU A 117 5.916 1.862 7.432 1.00 0.00 H new ATOM 0 HD13 LEU A 117 7.633 2.151 7.802 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.722 1.543 5.073 1.00 0.00 H new ATOM 0 HD22 LEU A 117 9.395 0.919 6.598 1.00 0.00 H new ATOM 0 HD23 LEU A 117 8.967 -0.207 5.288 1.00 0.00 H new ATOM 1560 N ALA A 118 6.548 -3.154 9.003 1.00 0.00 N ATOM 1561 CA ALA A 118 6.877 -4.504 9.477 1.00 0.00 C ATOM 1562 C ALA A 118 5.710 -5.489 9.279 1.00 0.00 C ATOM 1563 O ALA A 118 5.920 -6.674 9.011 1.00 0.00 O ATOM 1564 CB ALA A 118 7.271 -4.439 10.961 1.00 0.00 C ATOM 0 H ALA A 118 6.532 -2.461 9.752 1.00 0.00 H new ATOM 0 HA ALA A 118 7.713 -4.875 8.884 1.00 0.00 H new ATOM 0 HB1 ALA A 118 7.516 -5.440 11.317 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.138 -3.790 11.079 1.00 0.00 H new ATOM 0 HB3 ALA A 118 6.438 -4.041 11.541 1.00 0.00 H new ATOM 1570 N ARG A 119 4.471 -4.992 9.382 1.00 0.00 N ATOM 1571 CA ARG A 119 3.247 -5.778 9.188 1.00 0.00 C ATOM 1572 C ARG A 119 3.166 -6.360 7.772 1.00 0.00 C ATOM 1573 O ARG A 119 2.796 -7.520 7.596 1.00 0.00 O ATOM 1574 CB ARG A 119 2.034 -4.894 9.532 1.00 0.00 C ATOM 1575 CG ARG A 119 0.763 -5.710 9.814 1.00 0.00 C ATOM 1576 CD ARG A 119 -0.316 -4.865 10.510 1.00 0.00 C ATOM 1577 NE ARG A 119 0.036 -4.575 11.917 1.00 0.00 N ATOM 1578 CZ ARG A 119 -0.731 -4.031 12.846 1.00 0.00 C ATOM 1579 NH1 ARG A 119 -1.950 -3.641 12.600 1.00 0.00 N ATOM 1580 NH2 ARG A 119 -0.283 -3.869 14.058 1.00 0.00 N ATOM 0 H ARG A 119 4.288 -4.014 9.607 1.00 0.00 H new ATOM 0 HA ARG A 119 3.255 -6.638 9.857 1.00 0.00 H new ATOM 0 HB2 ARG A 119 2.270 -4.285 10.404 1.00 0.00 H new ATOM 0 HB3 ARG A 119 1.844 -4.208 8.706 1.00 0.00 H new ATOM 0 HG2 ARG A 119 0.368 -6.103 8.877 1.00 0.00 H new ATOM 0 HG3 ARG A 119 1.013 -6.567 10.439 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -0.450 -3.929 9.968 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -1.269 -5.392 10.475 1.00 0.00 H new ATOM 0 HE ARG A 119 0.982 -4.824 12.204 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -2.342 -3.752 11.665 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -2.512 -3.225 13.343 1.00 0.00 H new ATOM 0 HH21 ARG A 119 0.665 -4.163 14.295 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -0.880 -3.449 14.770 1.00 0.00 H new ATOM 1594 N LEU A 120 3.569 -5.567 6.773 1.00 0.00 N ATOM 1595 CA LEU A 120 3.665 -5.973 5.363 1.00 0.00 C ATOM 1596 C LEU A 120 4.848 -6.936 5.136 1.00 0.00 C ATOM 1597 O LEU A 120 4.688 -7.970 4.486 1.00 0.00 O ATOM 1598 CB LEU A 120 3.786 -4.734 4.448 1.00 0.00 C ATOM 1599 CG LEU A 120 2.895 -3.533 4.818 1.00 0.00 C ATOM 1600 CD1 LEU A 120 3.051 -2.425 3.782 1.00 0.00 C ATOM 1601 CD2 LEU A 120 1.408 -3.887 4.928 1.00 0.00 C ATOM 0 H LEU A 120 3.846 -4.597 6.926 1.00 0.00 H new ATOM 0 HA LEU A 120 2.749 -6.505 5.105 1.00 0.00 H new ATOM 0 HB2 LEU A 120 4.825 -4.405 4.451 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.550 -5.036 3.428 1.00 0.00 H new ATOM 0 HG LEU A 120 3.231 -3.204 5.801 1.00 0.00 H new ATOM 0 HD11 LEU A 120 2.417 -1.581 4.053 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.091 -2.101 3.749 1.00 0.00 H new ATOM 0 HD13 LEU A 120 2.757 -2.799 2.802 1.00 0.00 H new ATOM 0 HD21 LEU A 120 0.840 -2.995 5.191 1.00 0.00 H new ATOM 0 HD22 LEU A 120 1.054 -4.273 3.972 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.271 -4.645 5.699 1.00 0.00 H new ATOM 1613 N GLN A 121 6.019 -6.628 5.716 1.00 0.00 N ATOM 1614 CA GLN A 121 7.230 -7.468 5.682 1.00 0.00 C ATOM 1615 C GLN A 121 6.988 -8.914 6.128 1.00 0.00 C ATOM 1616 O GLN A 121 7.539 -9.835 5.528 1.00 0.00 O ATOM 1617 CB GLN A 121 8.327 -6.860 6.576 1.00 0.00 C ATOM 1618 CG GLN A 121 9.139 -5.795 5.846 1.00 0.00 C ATOM 1619 CD GLN A 121 10.127 -5.088 6.771 1.00 0.00 C ATOM 1620 OE1 GLN A 121 10.985 -5.693 7.402 1.00 0.00 O ATOM 1621 NE2 GLN A 121 10.052 -3.779 6.886 1.00 0.00 N ATOM 0 H GLN A 121 6.155 -5.762 6.237 1.00 0.00 H new ATOM 0 HA GLN A 121 7.542 -7.492 4.638 1.00 0.00 H new ATOM 0 HB2 GLN A 121 7.869 -6.421 7.463 1.00 0.00 H new ATOM 0 HB3 GLN A 121 8.994 -7.651 6.919 1.00 0.00 H new ATOM 0 HG2 GLN A 121 9.682 -6.257 5.022 1.00 0.00 H new ATOM 0 HG3 GLN A 121 8.462 -5.060 5.410 1.00 0.00 H new ATOM 0 HE21 GLN A 121 9.343 -3.261 6.367 1.00 0.00 H new ATOM 0 HE22 GLN A 121 10.703 -3.282 7.494 1.00 0.00 H new ATOM 1630 N ALA A 122 6.172 -9.130 7.162 1.00 0.00 N ATOM 1631 CA ALA A 122 5.885 -10.472 7.659 1.00 0.00 C ATOM 1632 C ALA A 122 5.194 -11.344 6.602 1.00 0.00 C ATOM 1633 O ALA A 122 5.685 -12.425 6.282 1.00 0.00 O ATOM 1634 CB ALA A 122 5.063 -10.359 8.950 1.00 0.00 C ATOM 0 H ALA A 122 5.697 -8.386 7.672 1.00 0.00 H new ATOM 0 HA ALA A 122 6.824 -10.978 7.883 1.00 0.00 H new ATOM 0 HB1 ALA A 122 4.843 -11.357 9.330 1.00 0.00 H new ATOM 0 HB2 ALA A 122 5.632 -9.804 9.696 1.00 0.00 H new ATOM 0 HB3 ALA A 122 4.130 -9.836 8.742 1.00 0.00 H new ATOM 1640 N ALA A 123 4.099 -10.863 6.006 1.00 0.00 N ATOM 1641 CA ALA A 123 3.419 -11.559 4.916 1.00 0.00 C ATOM 1642 C ALA A 123 4.330 -11.751 3.679 1.00 0.00 C ATOM 1643 O ALA A 123 4.240 -12.770 2.991 1.00 0.00 O ATOM 1644 CB ALA A 123 2.128 -10.805 4.607 1.00 0.00 C ATOM 0 H ALA A 123 3.661 -9.980 6.268 1.00 0.00 H new ATOM 0 HA ALA A 123 3.169 -12.575 5.223 1.00 0.00 H new ATOM 0 HB1 ALA A 123 1.600 -11.305 3.795 1.00 0.00 H new ATOM 0 HB2 ALA A 123 1.495 -10.788 5.495 1.00 0.00 H new ATOM 0 HB3 ALA A 123 2.365 -9.783 4.311 1.00 0.00 H new ATOM 1650 N LEU A 124 5.246 -10.805 3.424 1.00 0.00 N ATOM 1651 CA LEU A 124 6.251 -10.885 2.359 1.00 0.00 C ATOM 1652 C LEU A 124 7.192 -12.078 2.621 1.00 0.00 C ATOM 1653 O LEU A 124 7.364 -12.931 1.749 1.00 0.00 O ATOM 1654 CB LEU A 124 6.983 -9.525 2.260 1.00 0.00 C ATOM 1655 CG LEU A 124 7.577 -9.135 0.896 1.00 0.00 C ATOM 1656 CD1 LEU A 124 8.686 -10.074 0.436 1.00 0.00 C ATOM 1657 CD2 LEU A 124 6.524 -9.020 -0.205 1.00 0.00 C ATOM 0 H LEU A 124 5.308 -9.944 3.967 1.00 0.00 H new ATOM 0 HA LEU A 124 5.788 -11.071 1.390 1.00 0.00 H new ATOM 0 HB2 LEU A 124 6.283 -8.744 2.558 1.00 0.00 H new ATOM 0 HB3 LEU A 124 7.791 -9.524 2.991 1.00 0.00 H new ATOM 0 HG LEU A 124 8.009 -8.149 1.064 1.00 0.00 H new ATOM 0 HD11 LEU A 124 9.063 -9.745 -0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 124 9.497 -10.063 1.164 1.00 0.00 H new ATOM 0 HD13 LEU A 124 8.292 -11.086 0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 124 7.006 -8.742 -1.142 1.00 0.00 H new ATOM 0 HD22 LEU A 124 6.019 -9.978 -0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 124 5.795 -8.257 0.067 1.00 0.00 H new ATOM 1669 N ALA A 125 7.744 -12.191 3.838 1.00 0.00 N ATOM 1670 CA ALA A 125 8.604 -13.308 4.234 1.00 0.00 C ATOM 1671 C ALA A 125 7.858 -14.662 4.295 1.00 0.00 C ATOM 1672 O ALA A 125 8.432 -15.698 3.949 1.00 0.00 O ATOM 1673 CB ALA A 125 9.257 -12.957 5.576 1.00 0.00 C ATOM 0 H ALA A 125 7.603 -11.503 4.578 1.00 0.00 H new ATOM 0 HA ALA A 125 9.368 -13.446 3.469 1.00 0.00 H new ATOM 0 HB1 ALA A 125 9.903 -13.776 5.891 1.00 0.00 H new ATOM 0 HB2 ALA A 125 9.850 -12.049 5.466 1.00 0.00 H new ATOM 0 HB3 ALA A 125 8.483 -12.796 6.326 1.00 0.00 H new ATOM 1679 N GLU A 126 6.578 -14.673 4.686 1.00 0.00 N ATOM 1680 CA GLU A 126 5.712 -15.865 4.692 1.00 0.00 C ATOM 1681 C GLU A 126 5.614 -16.495 3.294 1.00 0.00 C ATOM 1682 O GLU A 126 5.884 -17.688 3.137 1.00 0.00 O ATOM 1683 CB GLU A 126 4.303 -15.516 5.208 1.00 0.00 C ATOM 1684 CG GLU A 126 4.208 -15.330 6.731 1.00 0.00 C ATOM 1685 CD GLU A 126 4.088 -16.643 7.532 1.00 0.00 C ATOM 1686 OE1 GLU A 126 4.252 -17.755 6.971 1.00 0.00 O ATOM 1687 OE2 GLU A 126 3.881 -16.567 8.767 1.00 0.00 O ATOM 0 H GLU A 126 6.101 -13.834 5.016 1.00 0.00 H new ATOM 0 HA GLU A 126 6.166 -16.592 5.365 1.00 0.00 H new ATOM 0 HB2 GLU A 126 3.969 -14.600 4.722 1.00 0.00 H new ATOM 0 HB3 GLU A 126 3.614 -16.306 4.908 1.00 0.00 H new ATOM 0 HG2 GLU A 126 5.091 -14.790 7.074 1.00 0.00 H new ATOM 0 HG3 GLU A 126 3.344 -14.703 6.954 1.00 0.00 H new ATOM 1694 N ARG A 127 5.268 -15.704 2.263 1.00 0.00 N ATOM 1695 CA ARG A 127 5.251 -16.183 0.868 1.00 0.00 C ATOM 1696 C ARG A 127 6.662 -16.521 0.366 1.00 0.00 C ATOM 1697 O ARG A 127 6.830 -17.533 -0.320 1.00 0.00 O ATOM 1698 CB ARG A 127 4.534 -15.167 -0.046 1.00 0.00 C ATOM 1699 CG ARG A 127 4.198 -15.747 -1.435 1.00 0.00 C ATOM 1700 CD ARG A 127 2.972 -16.676 -1.460 1.00 0.00 C ATOM 1701 NE ARG A 127 1.725 -15.903 -1.607 1.00 0.00 N ATOM 1702 CZ ARG A 127 0.516 -16.349 -1.888 1.00 0.00 C ATOM 1703 NH1 ARG A 127 0.226 -17.619 -1.959 1.00 0.00 N ATOM 1704 NH2 ARG A 127 -0.420 -15.479 -2.112 1.00 0.00 N ATOM 0 H ARG A 127 4.995 -14.727 2.370 1.00 0.00 H new ATOM 0 HA ARG A 127 4.683 -17.113 0.836 1.00 0.00 H new ATOM 0 HB2 ARG A 127 3.614 -14.836 0.437 1.00 0.00 H new ATOM 0 HB3 ARG A 127 5.165 -14.286 -0.168 1.00 0.00 H new ATOM 0 HG2 ARG A 127 4.027 -14.922 -2.127 1.00 0.00 H new ATOM 0 HG3 ARG A 127 5.063 -16.298 -1.803 1.00 0.00 H new ATOM 0 HD2 ARG A 127 3.064 -17.384 -2.284 1.00 0.00 H new ATOM 0 HD3 ARG A 127 2.935 -17.260 -0.541 1.00 0.00 H new ATOM 0 HE ARG A 127 1.808 -14.895 -1.475 1.00 0.00 H new ATOM 0 HH11 ARG A 127 0.951 -18.318 -1.794 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -0.725 -17.913 -2.180 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -0.210 -14.482 -2.068 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -1.365 -15.792 -2.332 1.00 0.00 H new ATOM 1718 N ARG A 128 7.687 -15.736 0.739 1.00 0.00 N ATOM 1719 CA ARG A 128 9.096 -15.959 0.345 1.00 0.00 C ATOM 1720 C ARG A 128 9.570 -17.393 0.622 1.00 0.00 C ATOM 1721 O ARG A 128 10.227 -17.968 -0.243 1.00 0.00 O ATOM 1722 CB ARG A 128 10.035 -14.932 1.009 1.00 0.00 C ATOM 1723 CG ARG A 128 11.435 -14.941 0.367 1.00 0.00 C ATOM 1724 CD ARG A 128 12.460 -14.142 1.179 1.00 0.00 C ATOM 1725 NE ARG A 128 12.247 -12.684 1.101 1.00 0.00 N ATOM 1726 CZ ARG A 128 12.922 -11.764 1.771 1.00 0.00 C ATOM 1727 NH1 ARG A 128 13.829 -12.079 2.652 1.00 0.00 N ATOM 1728 NH2 ARG A 128 12.703 -10.497 1.566 1.00 0.00 N ATOM 0 H ARG A 128 7.562 -14.915 1.332 1.00 0.00 H new ATOM 0 HA ARG A 128 9.138 -15.815 -0.735 1.00 0.00 H new ATOM 0 HB2 ARG A 128 9.602 -13.935 0.924 1.00 0.00 H new ATOM 0 HB3 ARG A 128 10.121 -15.152 2.073 1.00 0.00 H new ATOM 0 HG2 ARG A 128 11.779 -15.971 0.268 1.00 0.00 H new ATOM 0 HG3 ARG A 128 11.372 -14.527 -0.639 1.00 0.00 H new ATOM 0 HD2 ARG A 128 12.413 -14.455 2.222 1.00 0.00 H new ATOM 0 HD3 ARG A 128 13.462 -14.377 0.821 1.00 0.00 H new ATOM 0 HE ARG A 128 11.513 -12.356 0.474 1.00 0.00 H new ATOM 0 HH11 ARG A 128 14.036 -13.059 2.842 1.00 0.00 H new ATOM 0 HH12 ARG A 128 14.332 -11.345 3.151 1.00 0.00 H new ATOM 0 HH21 ARG A 128 12.005 -10.204 0.883 1.00 0.00 H new ATOM 0 HH22 ARG A 128 13.230 -9.797 2.089 1.00 0.00 H new