USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=6 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 Set 1.1: A 108 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 112 GLN : amide:sc=-0.00764 X(o=-0.0076,f=0.037) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 0:sc= 0.0735 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= -0.398 X(o=-0.4,f=-0.49) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 USER MOD Single : A 114 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 574 N ASN A 56 -2.892 18.351 8.060 1.00 0.00 N ATOM 575 CA ASN A 56 -1.746 17.585 7.567 1.00 0.00 C ATOM 576 C ASN A 56 -1.611 16.206 8.249 1.00 0.00 C ATOM 577 O ASN A 56 -1.271 15.226 7.584 1.00 0.00 O ATOM 578 CB ASN A 56 -0.474 18.437 7.723 1.00 0.00 C ATOM 579 CG ASN A 56 -0.405 19.564 6.708 1.00 0.00 C ATOM 580 OD1 ASN A 56 -0.089 19.362 5.544 1.00 0.00 O ATOM 581 ND2 ASN A 56 -0.688 20.786 7.102 1.00 0.00 N ATOM 0 HA ASN A 56 -1.903 17.364 6.511 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.441 18.855 8.729 1.00 0.00 H new ATOM 0 HB3 ASN A 56 0.403 17.799 7.614 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.643 21.559 6.438 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.952 20.961 8.072 1.00 0.00 H new ATOM 588 N SER A 57 -1.922 16.087 9.548 1.00 0.00 N ATOM 589 CA SER A 57 -1.875 14.806 10.279 1.00 0.00 C ATOM 590 C SER A 57 -2.852 13.784 9.682 1.00 0.00 C ATOM 591 O SER A 57 -2.485 12.631 9.449 1.00 0.00 O ATOM 592 CB SER A 57 -2.192 15.005 11.766 1.00 0.00 C ATOM 593 OG SER A 57 -1.250 15.883 12.360 1.00 0.00 O ATOM 0 H SER A 57 -2.214 16.876 10.125 1.00 0.00 H new ATOM 0 HA SER A 57 -0.860 14.421 10.180 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.198 15.410 11.879 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.176 14.044 12.279 1.00 0.00 H new ATOM 0 HG SER A 57 -0.603 16.175 11.684 1.00 0.00 H new ATOM 599 N HIS A 58 -4.091 14.201 9.382 1.00 0.00 N ATOM 600 CA HIS A 58 -5.085 13.349 8.709 1.00 0.00 C ATOM 601 C HIS A 58 -4.650 12.980 7.280 1.00 0.00 C ATOM 602 O HIS A 58 -4.820 11.831 6.867 1.00 0.00 O ATOM 603 CB HIS A 58 -6.458 14.041 8.720 1.00 0.00 C ATOM 604 CG HIS A 58 -7.493 13.285 7.921 1.00 0.00 C ATOM 605 ND1 HIS A 58 -7.986 13.655 6.682 1.00 0.00 N ATOM 606 CD2 HIS A 58 -8.037 12.074 8.254 1.00 0.00 C ATOM 607 CE1 HIS A 58 -8.820 12.678 6.267 1.00 0.00 C ATOM 608 NE2 HIS A 58 -8.869 11.709 7.208 1.00 0.00 N ATOM 0 H HIS A 58 -4.433 15.137 9.599 1.00 0.00 H new ATOM 0 HA HIS A 58 -5.162 12.412 9.260 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -6.802 14.143 9.749 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -6.357 15.048 8.316 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -7.853 11.512 9.158 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -9.361 12.672 5.333 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -9.424 10.855 7.157 1.00 0.00 H new ATOM 617 N PHE A 59 -4.050 13.920 6.538 1.00 0.00 N ATOM 618 CA PHE A 59 -3.535 13.676 5.184 1.00 0.00 C ATOM 619 C PHE A 59 -2.538 12.510 5.151 1.00 0.00 C ATOM 620 O PHE A 59 -2.657 11.637 4.291 1.00 0.00 O ATOM 621 CB PHE A 59 -2.899 14.948 4.600 1.00 0.00 C ATOM 622 CG PHE A 59 -2.587 14.841 3.117 1.00 0.00 C ATOM 623 CD1 PHE A 59 -1.440 14.151 2.670 1.00 0.00 C ATOM 624 CD2 PHE A 59 -3.462 15.412 2.173 1.00 0.00 C ATOM 625 CE1 PHE A 59 -1.186 14.014 1.294 1.00 0.00 C ATOM 626 CE2 PHE A 59 -3.199 15.289 0.796 1.00 0.00 C ATOM 627 CZ PHE A 59 -2.065 14.584 0.356 1.00 0.00 C ATOM 0 H PHE A 59 -3.907 14.877 6.862 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.386 13.397 4.563 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.573 15.789 4.762 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.979 15.167 5.142 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.754 13.726 3.388 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.339 15.947 2.507 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.315 13.471 0.957 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.869 15.737 0.077 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.869 14.480 -0.701 1.00 0.00 H new ATOM 637 N PHE A 60 -1.595 12.457 6.102 1.00 0.00 N ATOM 638 CA PHE A 60 -0.651 11.346 6.235 1.00 0.00 C ATOM 639 C PHE A 60 -1.368 9.999 6.341 1.00 0.00 C ATOM 640 O PHE A 60 -1.092 9.102 5.553 1.00 0.00 O ATOM 641 CB PHE A 60 0.249 11.540 7.462 1.00 0.00 C ATOM 642 CG PHE A 60 1.058 10.300 7.816 1.00 0.00 C ATOM 643 CD1 PHE A 60 1.913 9.729 6.855 1.00 0.00 C ATOM 644 CD2 PHE A 60 0.891 9.661 9.062 1.00 0.00 C ATOM 645 CE1 PHE A 60 2.577 8.525 7.135 1.00 0.00 C ATOM 646 CE2 PHE A 60 1.577 8.464 9.346 1.00 0.00 C ATOM 647 CZ PHE A 60 2.414 7.893 8.373 1.00 0.00 C ATOM 0 H PHE A 60 -1.468 13.188 6.802 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.040 11.340 5.332 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.931 12.370 7.276 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.368 11.819 8.316 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.058 10.217 5.903 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.233 10.092 9.803 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.220 8.082 6.388 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.460 7.987 10.308 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.931 6.968 8.580 1.00 0.00 H new ATOM 657 N VAL A 61 -2.302 9.861 7.286 1.00 0.00 N ATOM 658 CA VAL A 61 -3.072 8.624 7.493 1.00 0.00 C ATOM 659 C VAL A 61 -3.770 8.192 6.199 1.00 0.00 C ATOM 660 O VAL A 61 -3.722 7.014 5.850 1.00 0.00 O ATOM 661 CB VAL A 61 -4.079 8.791 8.647 1.00 0.00 C ATOM 662 CG1 VAL A 61 -4.939 7.535 8.831 1.00 0.00 C ATOM 663 CG2 VAL A 61 -3.369 9.079 9.981 1.00 0.00 C ATOM 0 H VAL A 61 -2.549 10.608 7.935 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.377 7.833 7.773 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.712 9.636 8.375 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.637 7.689 9.654 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.495 7.338 7.915 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.296 6.684 9.056 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.111 9.191 10.771 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.702 8.252 10.224 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.790 9.999 9.894 1.00 0.00 H new ATOM 673 N ALA A 62 -4.352 9.136 5.452 1.00 0.00 N ATOM 674 CA ALA A 62 -4.970 8.872 4.148 1.00 0.00 C ATOM 675 C ALA A 62 -3.960 8.345 3.107 1.00 0.00 C ATOM 676 O ALA A 62 -4.132 7.240 2.585 1.00 0.00 O ATOM 677 CB ALA A 62 -5.702 10.130 3.660 1.00 0.00 C ATOM 0 H ALA A 62 -4.408 10.114 5.738 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.699 8.071 4.274 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.160 9.931 2.691 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.475 10.403 4.378 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.991 10.950 3.564 1.00 0.00 H new ATOM 683 N THR A 63 -2.906 9.112 2.801 1.00 0.00 N ATOM 684 CA THR A 63 -1.885 8.713 1.813 1.00 0.00 C ATOM 685 C THR A 63 -1.182 7.403 2.205 1.00 0.00 C ATOM 686 O THR A 63 -1.039 6.505 1.376 1.00 0.00 O ATOM 687 CB THR A 63 -0.903 9.863 1.508 1.00 0.00 C ATOM 688 OG1 THR A 63 -0.116 9.534 0.385 1.00 0.00 O ATOM 689 CG2 THR A 63 0.040 10.255 2.633 1.00 0.00 C ATOM 0 H THR A 63 -2.734 10.023 3.227 1.00 0.00 H new ATOM 0 HA THR A 63 -2.403 8.502 0.877 1.00 0.00 H new ATOM 0 HB THR A 63 -1.550 10.724 1.339 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.505 10.268 0.194 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.681 11.072 2.302 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.540 10.576 3.498 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.656 9.398 2.907 1.00 0.00 H new ATOM 697 N PHE A 64 -0.844 7.222 3.486 1.00 0.00 N ATOM 698 CA PHE A 64 -0.223 6.015 4.030 1.00 0.00 C ATOM 699 C PHE A 64 -1.133 4.784 3.904 1.00 0.00 C ATOM 700 O PHE A 64 -0.689 3.744 3.417 1.00 0.00 O ATOM 701 CB PHE A 64 0.182 6.267 5.489 1.00 0.00 C ATOM 702 CG PHE A 64 0.994 5.137 6.082 1.00 0.00 C ATOM 703 CD1 PHE A 64 0.340 4.033 6.655 1.00 0.00 C ATOM 704 CD2 PHE A 64 2.398 5.153 6.002 1.00 0.00 C ATOM 705 CE1 PHE A 64 1.088 2.933 7.105 1.00 0.00 C ATOM 706 CE2 PHE A 64 3.140 4.048 6.447 1.00 0.00 C ATOM 707 CZ PHE A 64 2.483 2.934 6.983 1.00 0.00 C ATOM 0 H PHE A 64 -1.002 7.938 4.195 1.00 0.00 H new ATOM 0 HA PHE A 64 0.668 5.792 3.443 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.759 7.190 5.546 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.716 6.415 6.089 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.736 4.031 6.749 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.906 6.016 5.598 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.586 2.084 7.546 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.218 4.057 6.376 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.053 2.074 7.303 1.00 0.00 H new ATOM 717 N ALA A 65 -2.407 4.884 4.306 1.00 0.00 N ATOM 718 CA ALA A 65 -3.401 3.815 4.170 1.00 0.00 C ATOM 719 C ALA A 65 -3.562 3.346 2.711 1.00 0.00 C ATOM 720 O ALA A 65 -3.591 2.145 2.433 1.00 0.00 O ATOM 721 CB ALA A 65 -4.738 4.287 4.746 1.00 0.00 C ATOM 0 H ALA A 65 -2.781 5.726 4.743 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.047 2.951 4.733 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.478 3.493 4.645 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.613 4.535 5.800 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.077 5.170 4.203 1.00 0.00 H new ATOM 727 N ARG A 66 -3.641 4.292 1.769 1.00 0.00 N ATOM 728 CA ARG A 66 -3.772 4.011 0.332 1.00 0.00 C ATOM 729 C ARG A 66 -2.497 3.401 -0.263 1.00 0.00 C ATOM 730 O ARG A 66 -2.580 2.476 -1.069 1.00 0.00 O ATOM 731 CB ARG A 66 -4.221 5.304 -0.366 1.00 0.00 C ATOM 732 CG ARG A 66 -4.974 5.080 -1.686 1.00 0.00 C ATOM 733 CD ARG A 66 -4.060 4.800 -2.888 1.00 0.00 C ATOM 734 NE ARG A 66 -4.716 5.174 -4.157 1.00 0.00 N ATOM 735 CZ ARG A 66 -4.910 6.396 -4.625 1.00 0.00 C ATOM 736 NH1 ARG A 66 -4.482 7.456 -3.997 1.00 0.00 N ATOM 737 NH2 ARG A 66 -5.556 6.584 -5.739 1.00 0.00 N ATOM 0 H ARG A 66 -3.616 5.289 1.984 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.530 3.245 0.169 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.861 5.866 0.313 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.344 5.921 -0.562 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.661 4.243 -1.563 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.580 5.961 -1.901 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -3.130 5.358 -2.778 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -3.797 3.742 -2.910 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.057 4.406 -4.736 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -3.979 7.358 -3.115 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.650 8.383 -4.388 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.918 5.785 -6.260 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.700 7.530 -6.091 1.00 0.00 H new ATOM 751 N GLU A 67 -1.318 3.861 0.159 1.00 0.00 N ATOM 752 CA GLU A 67 -0.033 3.290 -0.252 1.00 0.00 C ATOM 753 C GLU A 67 0.133 1.855 0.269 1.00 0.00 C ATOM 754 O GLU A 67 0.399 0.953 -0.529 1.00 0.00 O ATOM 755 CB GLU A 67 1.127 4.166 0.239 1.00 0.00 C ATOM 756 CG GLU A 67 1.423 5.393 -0.632 1.00 0.00 C ATOM 757 CD GLU A 67 1.859 5.009 -2.060 1.00 0.00 C ATOM 758 OE1 GLU A 67 2.951 4.416 -2.231 1.00 0.00 O ATOM 759 OE2 GLU A 67 1.112 5.301 -3.026 1.00 0.00 O ATOM 0 H GLU A 67 -1.227 4.648 0.802 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.018 3.260 -1.341 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.906 4.502 1.252 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.027 3.553 0.296 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.534 6.022 -0.683 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.207 5.987 -0.163 1.00 0.00 H new ATOM 766 N ARG A 68 -0.063 1.617 1.581 1.00 0.00 N ATOM 767 CA ARG A 68 0.070 0.274 2.185 1.00 0.00 C ATOM 768 C ARG A 68 -0.841 -0.745 1.499 1.00 0.00 C ATOM 769 O ARG A 68 -0.431 -1.883 1.307 1.00 0.00 O ATOM 770 CB ARG A 68 -0.093 0.284 3.729 1.00 0.00 C ATOM 771 CG ARG A 68 -1.539 0.426 4.237 1.00 0.00 C ATOM 772 CD ARG A 68 -1.765 0.006 5.698 1.00 0.00 C ATOM 773 NE ARG A 68 -1.674 1.122 6.658 1.00 0.00 N ATOM 774 CZ ARG A 68 -1.915 1.047 7.959 1.00 0.00 C ATOM 775 NH1 ARG A 68 -2.194 -0.082 8.543 1.00 0.00 N ATOM 776 NH2 ARG A 68 -1.869 2.105 8.718 1.00 0.00 N ATOM 0 H ARG A 68 -0.316 2.345 2.249 1.00 0.00 H new ATOM 0 HA ARG A 68 1.096 -0.048 2.007 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.326 -0.640 4.128 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.499 1.104 4.135 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.846 1.466 4.123 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.191 -0.171 3.599 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.748 -0.457 5.785 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.030 -0.753 5.966 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.401 2.032 6.288 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.232 -0.943 7.997 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.375 -0.106 9.547 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.644 3.014 8.313 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.058 2.025 9.717 1.00 0.00 H new ATOM 790 N ALA A 69 -2.039 -0.329 1.081 1.00 0.00 N ATOM 791 CA ALA A 69 -3.029 -1.183 0.424 1.00 0.00 C ATOM 792 C ALA A 69 -2.523 -1.758 -0.911 1.00 0.00 C ATOM 793 O ALA A 69 -2.644 -2.962 -1.147 1.00 0.00 O ATOM 794 CB ALA A 69 -4.322 -0.382 0.227 1.00 0.00 C ATOM 0 H ALA A 69 -2.354 0.635 1.193 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.220 -2.043 1.066 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.067 -1.009 -0.262 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.700 -0.058 1.196 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.118 0.491 -0.393 1.00 0.00 H new ATOM 800 N ALA A 70 -1.927 -0.921 -1.769 1.00 0.00 N ATOM 801 CA ALA A 70 -1.357 -1.357 -3.045 1.00 0.00 C ATOM 802 C ALA A 70 -0.242 -2.402 -2.842 1.00 0.00 C ATOM 803 O ALA A 70 -0.163 -3.387 -3.580 1.00 0.00 O ATOM 804 CB ALA A 70 -0.851 -0.129 -3.821 1.00 0.00 C ATOM 0 H ALA A 70 -1.827 0.079 -1.596 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.135 -1.848 -3.630 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.426 -0.449 -4.772 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.682 0.552 -4.006 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.087 0.382 -3.235 1.00 0.00 H new ATOM 810 N VAL A 71 0.592 -2.210 -1.811 1.00 0.00 N ATOM 811 CA VAL A 71 1.639 -3.165 -1.415 1.00 0.00 C ATOM 812 C VAL A 71 1.020 -4.465 -0.900 1.00 0.00 C ATOM 813 O VAL A 71 1.387 -5.538 -1.370 1.00 0.00 O ATOM 814 CB VAL A 71 2.577 -2.590 -0.336 1.00 0.00 C ATOM 815 CG1 VAL A 71 3.777 -3.525 -0.148 1.00 0.00 C ATOM 816 CG2 VAL A 71 3.071 -1.169 -0.649 1.00 0.00 C ATOM 0 H VAL A 71 0.559 -1.378 -1.221 1.00 0.00 H new ATOM 0 HA VAL A 71 2.230 -3.365 -2.309 1.00 0.00 H new ATOM 0 HB VAL A 71 1.994 -2.521 0.583 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.440 -3.117 0.615 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.426 -4.509 0.164 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.319 -3.615 -1.089 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.726 -0.827 0.152 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.621 -1.174 -1.590 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.217 -0.497 -0.731 1.00 0.00 H new ATOM 826 N GLU A 72 0.070 -4.380 0.040 1.00 0.00 N ATOM 827 CA GLU A 72 -0.617 -5.518 0.666 1.00 0.00 C ATOM 828 C GLU A 72 -1.277 -6.442 -0.375 1.00 0.00 C ATOM 829 O GLU A 72 -1.267 -7.665 -0.230 1.00 0.00 O ATOM 830 CB GLU A 72 -1.671 -5.019 1.673 1.00 0.00 C ATOM 831 CG GLU A 72 -1.831 -5.959 2.877 1.00 0.00 C ATOM 832 CD GLU A 72 -3.271 -5.920 3.429 1.00 0.00 C ATOM 833 OE1 GLU A 72 -3.608 -4.983 4.194 1.00 0.00 O ATOM 834 OE2 GLU A 72 -4.074 -6.828 3.106 1.00 0.00 O ATOM 0 H GLU A 72 -0.254 -3.482 0.399 1.00 0.00 H new ATOM 0 HA GLU A 72 0.139 -6.102 1.191 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.389 -4.027 2.026 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.631 -4.916 1.167 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.579 -6.978 2.582 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.130 -5.672 3.661 1.00 0.00 H new ATOM 841 N GLU A 73 -1.817 -5.866 -1.454 1.00 0.00 N ATOM 842 CA GLU A 73 -2.390 -6.604 -2.584 1.00 0.00 C ATOM 843 C GLU A 73 -1.327 -7.336 -3.427 1.00 0.00 C ATOM 844 O GLU A 73 -1.534 -8.480 -3.841 1.00 0.00 O ATOM 845 CB GLU A 73 -3.203 -5.640 -3.463 1.00 0.00 C ATOM 846 CG GLU A 73 -4.229 -6.407 -4.304 1.00 0.00 C ATOM 847 CD GLU A 73 -5.066 -5.448 -5.171 1.00 0.00 C ATOM 848 OE1 GLU A 73 -6.088 -4.909 -4.679 1.00 0.00 O ATOM 849 OE2 GLU A 73 -4.717 -5.237 -6.358 1.00 0.00 O ATOM 0 H GLU A 73 -1.869 -4.854 -1.568 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.040 -7.377 -2.174 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.713 -4.910 -2.835 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.532 -5.084 -4.118 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -3.715 -7.125 -4.943 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.887 -6.977 -3.649 1.00 0.00 H new ATOM 856 N LEU A 74 -0.166 -6.708 -3.650 1.00 0.00 N ATOM 857 CA LEU A 74 0.976 -7.302 -4.360 1.00 0.00 C ATOM 858 C LEU A 74 1.437 -8.604 -3.675 1.00 0.00 C ATOM 859 O LEU A 74 1.788 -9.568 -4.352 1.00 0.00 O ATOM 860 CB LEU A 74 2.102 -6.252 -4.479 1.00 0.00 C ATOM 861 CG LEU A 74 3.008 -6.395 -5.720 1.00 0.00 C ATOM 862 CD1 LEU A 74 3.876 -5.143 -5.848 1.00 0.00 C ATOM 863 CD2 LEU A 74 3.926 -7.617 -5.699 1.00 0.00 C ATOM 0 H LEU A 74 0.010 -5.754 -3.336 1.00 0.00 H new ATOM 0 HA LEU A 74 0.678 -7.586 -5.369 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.651 -5.260 -4.491 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.725 -6.308 -3.586 1.00 0.00 H new ATOM 0 HG LEU A 74 2.336 -6.525 -6.569 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.520 -5.235 -6.723 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.237 -4.267 -5.958 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.491 -5.034 -4.955 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.526 -7.637 -6.609 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.584 -7.563 -4.832 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.324 -8.524 -5.641 1.00 0.00 H new ATOM 875 N LEU A 75 1.343 -8.679 -2.342 1.00 0.00 N ATOM 876 CA LEU A 75 1.687 -9.873 -1.557 1.00 0.00 C ATOM 877 C LEU A 75 0.855 -11.117 -1.928 1.00 0.00 C ATOM 878 O LEU A 75 1.329 -12.238 -1.749 1.00 0.00 O ATOM 879 CB LEU A 75 1.545 -9.610 -0.044 1.00 0.00 C ATOM 880 CG LEU A 75 2.023 -8.251 0.487 1.00 0.00 C ATOM 881 CD1 LEU A 75 1.931 -8.235 2.005 1.00 0.00 C ATOM 882 CD2 LEU A 75 3.459 -7.930 0.090 1.00 0.00 C ATOM 0 H LEU A 75 1.021 -7.900 -1.768 1.00 0.00 H new ATOM 0 HA LEU A 75 2.727 -10.085 -1.805 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.494 -9.723 0.220 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.092 -10.390 0.486 1.00 0.00 H new ATOM 0 HG LEU A 75 1.375 -7.496 0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.271 -7.270 2.380 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.897 -8.399 2.309 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.559 -9.025 2.416 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.740 -6.957 0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.126 -8.695 0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.540 -7.908 -0.997 1.00 0.00 H new ATOM 894 N GLU A 76 -0.391 -10.954 -2.389 1.00 0.00 N ATOM 895 CA GLU A 76 -1.247 -12.046 -2.874 1.00 0.00 C ATOM 896 C GLU A 76 -0.964 -12.379 -4.350 1.00 0.00 C ATOM 897 O GLU A 76 -1.048 -13.539 -4.760 1.00 0.00 O ATOM 898 CB GLU A 76 -2.724 -11.655 -2.715 1.00 0.00 C ATOM 899 CG GLU A 76 -3.278 -12.014 -1.332 1.00 0.00 C ATOM 900 CD GLU A 76 -4.814 -11.877 -1.300 1.00 0.00 C ATOM 901 OE1 GLU A 76 -5.329 -10.735 -1.217 1.00 0.00 O ATOM 902 OE2 GLU A 76 -5.520 -12.914 -1.353 1.00 0.00 O ATOM 0 H GLU A 76 -0.843 -10.041 -2.437 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.026 -12.932 -2.278 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.833 -10.583 -2.880 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.314 -12.157 -3.481 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.995 -13.035 -1.077 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.835 -11.363 -0.579 1.00 0.00 H new ATOM 909 N ARG A 77 -0.595 -11.367 -5.145 1.00 0.00 N ATOM 910 CA ARG A 77 -0.191 -11.475 -6.559 1.00 0.00 C ATOM 911 C ARG A 77 1.238 -12.005 -6.773 1.00 0.00 C ATOM 912 O ARG A 77 1.621 -12.278 -7.912 1.00 0.00 O ATOM 913 CB ARG A 77 -0.417 -10.103 -7.228 1.00 0.00 C ATOM 914 CG ARG A 77 -1.768 -10.079 -7.961 1.00 0.00 C ATOM 915 CD ARG A 77 -2.183 -8.653 -8.359 1.00 0.00 C ATOM 916 NE ARG A 77 -2.818 -8.613 -9.693 1.00 0.00 N ATOM 917 CZ ARG A 77 -2.206 -8.584 -10.866 1.00 0.00 C ATOM 918 NH1 ARG A 77 -0.907 -8.625 -10.969 1.00 0.00 N ATOM 919 NH2 ARG A 77 -2.889 -8.517 -11.971 1.00 0.00 N ATOM 0 H ARG A 77 -0.568 -10.405 -4.808 1.00 0.00 H new ATOM 0 HA ARG A 77 -0.814 -12.233 -7.033 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.391 -9.316 -6.475 1.00 0.00 H new ATOM 0 HB3 ARG A 77 0.389 -9.898 -7.932 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.707 -10.701 -8.854 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.535 -10.514 -7.321 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.875 -8.256 -7.616 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -1.306 -8.006 -8.355 1.00 0.00 H new ATOM 0 HE ARG A 77 -3.838 -8.607 -9.712 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -0.330 -8.681 -10.130 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -0.467 -8.601 -11.889 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.908 -8.486 -11.940 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.406 -8.495 -12.869 1.00 0.00 H new ATOM 933 N ALA A 78 2.019 -12.192 -5.708 1.00 0.00 N ATOM 934 CA ALA A 78 3.386 -12.712 -5.742 1.00 0.00 C ATOM 935 C ALA A 78 3.451 -14.248 -5.926 1.00 0.00 C ATOM 936 O ALA A 78 3.864 -14.987 -5.030 1.00 0.00 O ATOM 937 CB ALA A 78 4.128 -12.215 -4.494 1.00 0.00 C ATOM 0 H ALA A 78 1.704 -11.977 -4.762 1.00 0.00 H new ATOM 0 HA ALA A 78 3.891 -12.326 -6.628 1.00 0.00 H new ATOM 0 HB1 ALA A 78 5.150 -12.594 -4.503 1.00 0.00 H new ATOM 0 HB2 ALA A 78 4.145 -11.125 -4.491 1.00 0.00 H new ATOM 0 HB3 ALA A 78 3.617 -12.572 -3.600 1.00 0.00 H new ATOM 943 N GLU A 79 3.059 -14.744 -7.105 1.00 0.00 N ATOM 944 CA GLU A 79 3.136 -16.170 -7.476 1.00 0.00 C ATOM 945 C GLU A 79 4.581 -16.654 -7.750 1.00 0.00 C ATOM 946 O GLU A 79 4.856 -17.855 -7.707 1.00 0.00 O ATOM 947 CB GLU A 79 2.256 -16.420 -8.717 1.00 0.00 C ATOM 948 CG GLU A 79 1.732 -17.863 -8.776 1.00 0.00 C ATOM 949 CD GLU A 79 1.192 -18.214 -10.175 1.00 0.00 C ATOM 950 OE1 GLU A 79 1.985 -18.656 -11.044 1.00 0.00 O ATOM 951 OE2 GLU A 79 -0.032 -18.069 -10.417 1.00 0.00 O ATOM 0 H GLU A 79 2.672 -14.158 -7.845 1.00 0.00 H new ATOM 0 HA GLU A 79 2.774 -16.744 -6.623 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.413 -15.729 -8.707 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.832 -16.207 -9.618 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.533 -18.553 -8.511 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.942 -17.994 -8.037 1.00 0.00 H new ATOM 958 N SER A 80 5.510 -15.723 -8.002 1.00 0.00 N ATOM 959 CA SER A 80 6.940 -15.960 -8.268 1.00 0.00 C ATOM 960 C SER A 80 7.823 -14.931 -7.552 1.00 0.00 C ATOM 961 O SER A 80 7.381 -13.822 -7.236 1.00 0.00 O ATOM 962 CB SER A 80 7.216 -15.893 -9.780 1.00 0.00 C ATOM 963 OG SER A 80 6.632 -16.982 -10.477 1.00 0.00 O ATOM 0 H SER A 80 5.275 -14.731 -8.028 1.00 0.00 H new ATOM 0 HA SER A 80 7.184 -16.952 -7.888 1.00 0.00 H new ATOM 0 HB2 SER A 80 6.825 -14.957 -10.178 1.00 0.00 H new ATOM 0 HB3 SER A 80 8.292 -15.888 -9.952 1.00 0.00 H new ATOM 0 HG SER A 80 6.829 -16.901 -11.434 1.00 0.00 H new ATOM 969 N VAL A 81 9.103 -15.269 -7.352 1.00 0.00 N ATOM 970 CA VAL A 81 10.108 -14.420 -6.674 1.00 0.00 C ATOM 971 C VAL A 81 10.281 -13.052 -7.358 1.00 0.00 C ATOM 972 O VAL A 81 10.493 -12.048 -6.686 1.00 0.00 O ATOM 973 CB VAL A 81 11.464 -15.150 -6.549 1.00 0.00 C ATOM 974 CG1 VAL A 81 12.497 -14.324 -5.768 1.00 0.00 C ATOM 975 CG2 VAL A 81 11.315 -16.487 -5.806 1.00 0.00 C ATOM 0 H VAL A 81 9.485 -16.162 -7.663 1.00 0.00 H new ATOM 0 HA VAL A 81 9.728 -14.228 -5.671 1.00 0.00 H new ATOM 0 HB VAL A 81 11.803 -15.308 -7.573 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.434 -14.878 -5.706 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.668 -13.377 -6.280 1.00 0.00 H new ATOM 0 HG13 VAL A 81 12.123 -14.130 -4.763 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.287 -16.974 -5.736 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.927 -16.305 -4.804 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.625 -17.131 -6.351 1.00 0.00 H new ATOM 985 N GLU A 82 10.106 -12.982 -8.682 1.00 0.00 N ATOM 986 CA GLU A 82 10.147 -11.736 -9.472 1.00 0.00 C ATOM 987 C GLU A 82 9.161 -10.665 -8.966 1.00 0.00 C ATOM 988 O GLU A 82 9.500 -9.482 -8.891 1.00 0.00 O ATOM 989 CB GLU A 82 9.833 -12.056 -10.946 1.00 0.00 C ATOM 990 CG GLU A 82 10.946 -12.824 -11.671 1.00 0.00 C ATOM 991 CD GLU A 82 12.191 -11.944 -11.908 1.00 0.00 C ATOM 992 OE1 GLU A 82 12.206 -11.160 -12.889 1.00 0.00 O ATOM 993 OE2 GLU A 82 13.162 -12.032 -11.120 1.00 0.00 O ATOM 0 H GLU A 82 9.927 -13.808 -9.253 1.00 0.00 H new ATOM 0 HA GLU A 82 11.151 -11.325 -9.365 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.914 -12.640 -10.992 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.645 -11.123 -11.477 1.00 0.00 H new ATOM 0 HG2 GLU A 82 11.226 -13.698 -11.084 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.572 -13.189 -12.627 1.00 0.00 H new ATOM 1000 N ARG A 83 7.939 -11.074 -8.601 1.00 0.00 N ATOM 1001 CA ARG A 83 6.904 -10.215 -7.996 1.00 0.00 C ATOM 1002 C ARG A 83 7.109 -10.058 -6.487 1.00 0.00 C ATOM 1003 O ARG A 83 6.877 -8.979 -5.948 1.00 0.00 O ATOM 1004 CB ARG A 83 5.520 -10.815 -8.293 1.00 0.00 C ATOM 1005 CG ARG A 83 5.135 -10.894 -9.783 1.00 0.00 C ATOM 1006 CD ARG A 83 4.664 -9.571 -10.400 1.00 0.00 C ATOM 1007 NE ARG A 83 5.765 -8.629 -10.692 1.00 0.00 N ATOM 1008 CZ ARG A 83 5.663 -7.480 -11.341 1.00 0.00 C ATOM 1009 NH1 ARG A 83 4.525 -7.052 -11.813 1.00 0.00 N ATOM 1010 NH2 ARG A 83 6.708 -6.727 -11.533 1.00 0.00 N ATOM 0 H ARG A 83 7.631 -12.039 -8.721 1.00 0.00 H new ATOM 0 HA ARG A 83 6.978 -9.219 -8.433 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.481 -11.820 -7.872 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.768 -10.223 -7.773 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.995 -11.255 -10.347 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.344 -11.635 -9.900 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.123 -9.782 -11.323 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.959 -9.093 -9.720 1.00 0.00 H new ATOM 0 HE ARG A 83 6.694 -8.890 -10.361 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.679 -7.608 -11.687 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.481 -6.162 -12.309 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.619 -7.020 -11.182 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.615 -5.844 -12.035 1.00 0.00 H new ATOM 1024 N LEU A 84 7.597 -11.101 -5.814 1.00 0.00 N ATOM 1025 CA LEU A 84 7.941 -11.073 -4.390 1.00 0.00 C ATOM 1026 C LEU A 84 8.970 -9.967 -4.066 1.00 0.00 C ATOM 1027 O LEU A 84 8.799 -9.206 -3.120 1.00 0.00 O ATOM 1028 CB LEU A 84 8.441 -12.473 -3.983 1.00 0.00 C ATOM 1029 CG LEU A 84 8.240 -12.802 -2.497 1.00 0.00 C ATOM 1030 CD1 LEU A 84 6.779 -13.140 -2.185 1.00 0.00 C ATOM 1031 CD2 LEU A 84 9.096 -14.006 -2.116 1.00 0.00 C ATOM 0 H LEU A 84 7.768 -12.007 -6.251 1.00 0.00 H new ATOM 0 HA LEU A 84 7.055 -10.825 -3.806 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.923 -13.221 -4.583 1.00 0.00 H new ATOM 0 HB3 LEU A 84 9.502 -12.552 -4.221 1.00 0.00 H new ATOM 0 HG LEU A 84 8.530 -11.920 -1.926 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.677 -13.367 -1.124 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.147 -12.288 -2.436 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.472 -14.005 -2.772 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.951 -14.236 -1.061 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.803 -14.866 -2.719 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.146 -13.777 -2.296 1.00 0.00 H new ATOM 1043 N GLU A 85 10.017 -9.822 -4.877 1.00 0.00 N ATOM 1044 CA GLU A 85 11.008 -8.743 -4.742 1.00 0.00 C ATOM 1045 C GLU A 85 10.423 -7.345 -5.032 1.00 0.00 C ATOM 1046 O GLU A 85 10.811 -6.364 -4.393 1.00 0.00 O ATOM 1047 CB GLU A 85 12.192 -9.018 -5.680 1.00 0.00 C ATOM 1048 CG GLU A 85 13.087 -10.169 -5.197 1.00 0.00 C ATOM 1049 CD GLU A 85 13.950 -9.753 -3.988 1.00 0.00 C ATOM 1050 OE1 GLU A 85 15.022 -9.130 -4.190 1.00 0.00 O ATOM 1051 OE2 GLU A 85 13.567 -10.047 -2.830 1.00 0.00 O ATOM 0 H GLU A 85 10.207 -10.454 -5.655 1.00 0.00 H new ATOM 0 HA GLU A 85 11.337 -8.735 -3.703 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.813 -9.253 -6.675 1.00 0.00 H new ATOM 0 HB3 GLU A 85 12.792 -8.113 -5.773 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.466 -11.023 -4.924 1.00 0.00 H new ATOM 0 HG3 GLU A 85 13.734 -10.493 -6.012 1.00 0.00 H new ATOM 1058 N GLU A 86 9.469 -7.235 -5.963 1.00 0.00 N ATOM 1059 CA GLU A 86 8.792 -5.973 -6.300 1.00 0.00 C ATOM 1060 C GLU A 86 7.989 -5.399 -5.118 1.00 0.00 C ATOM 1061 O GLU A 86 8.012 -4.190 -4.895 1.00 0.00 O ATOM 1062 CB GLU A 86 7.892 -6.173 -7.533 1.00 0.00 C ATOM 1063 CG GLU A 86 7.437 -4.861 -8.188 1.00 0.00 C ATOM 1064 CD GLU A 86 8.596 -4.124 -8.889 1.00 0.00 C ATOM 1065 OE1 GLU A 86 9.051 -4.592 -9.962 1.00 0.00 O ATOM 1066 OE2 GLU A 86 9.047 -3.068 -8.385 1.00 0.00 O ATOM 0 H GLU A 86 9.139 -8.029 -6.512 1.00 0.00 H new ATOM 0 HA GLU A 86 9.563 -5.239 -6.534 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.429 -6.769 -8.271 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.012 -6.746 -7.240 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.652 -5.073 -8.914 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.002 -4.211 -7.429 1.00 0.00 H new ATOM 1073 N ALA A 87 7.334 -6.241 -4.309 1.00 0.00 N ATOM 1074 CA ALA A 87 6.612 -5.819 -3.099 1.00 0.00 C ATOM 1075 C ALA A 87 7.475 -4.996 -2.127 1.00 0.00 C ATOM 1076 O ALA A 87 7.038 -3.939 -1.660 1.00 0.00 O ATOM 1077 CB ALA A 87 5.986 -7.041 -2.424 1.00 0.00 C ATOM 0 H ALA A 87 7.289 -7.246 -4.477 1.00 0.00 H new ATOM 0 HA ALA A 87 5.818 -5.139 -3.408 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.451 -6.727 -1.527 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.290 -7.520 -3.113 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.770 -7.747 -2.150 1.00 0.00 H new ATOM 1083 N ALA A 88 8.713 -5.423 -1.853 1.00 0.00 N ATOM 1084 CA ALA A 88 9.631 -4.641 -1.026 1.00 0.00 C ATOM 1085 C ALA A 88 9.924 -3.263 -1.641 1.00 0.00 C ATOM 1086 O ALA A 88 10.048 -2.278 -0.921 1.00 0.00 O ATOM 1087 CB ALA A 88 10.933 -5.411 -0.806 1.00 0.00 C ATOM 0 H ALA A 88 9.099 -6.304 -2.192 1.00 0.00 H new ATOM 0 HA ALA A 88 9.146 -4.475 -0.064 1.00 0.00 H new ATOM 0 HB1 ALA A 88 11.607 -4.817 -0.189 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.718 -6.354 -0.304 1.00 0.00 H new ATOM 0 HB3 ALA A 88 11.404 -5.612 -1.768 1.00 0.00 H new ATOM 1093 N SER A 89 9.967 -3.155 -2.970 1.00 0.00 N ATOM 1094 CA SER A 89 10.217 -1.884 -3.664 1.00 0.00 C ATOM 1095 C SER A 89 9.009 -0.938 -3.652 1.00 0.00 C ATOM 1096 O SER A 89 9.150 0.236 -3.994 1.00 0.00 O ATOM 1097 CB SER A 89 10.665 -2.134 -5.111 1.00 0.00 C ATOM 1098 OG SER A 89 11.872 -2.883 -5.144 1.00 0.00 O ATOM 0 H SER A 89 9.830 -3.946 -3.599 1.00 0.00 H new ATOM 0 HA SER A 89 11.015 -1.391 -3.109 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.884 -2.670 -5.651 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.809 -1.182 -5.621 1.00 0.00 H new ATOM 0 HG SER A 89 12.139 -3.033 -6.075 1.00 0.00 H new ATOM 1104 N ARG A 90 7.818 -1.418 -3.270 1.00 0.00 N ATOM 1105 CA ARG A 90 6.616 -0.584 -3.116 1.00 0.00 C ATOM 1106 C ARG A 90 6.598 -0.009 -1.696 1.00 0.00 C ATOM 1107 O ARG A 90 6.364 1.183 -1.506 1.00 0.00 O ATOM 1108 CB ARG A 90 5.342 -1.393 -3.407 1.00 0.00 C ATOM 1109 CG ARG A 90 5.229 -1.958 -4.831 1.00 0.00 C ATOM 1110 CD ARG A 90 5.268 -0.898 -5.941 1.00 0.00 C ATOM 1111 NE ARG A 90 4.166 0.082 -5.820 1.00 0.00 N ATOM 1112 CZ ARG A 90 2.892 -0.085 -6.134 1.00 0.00 C ATOM 1113 NH1 ARG A 90 2.443 -1.190 -6.659 1.00 0.00 N ATOM 1114 NH2 ARG A 90 2.035 0.869 -5.918 1.00 0.00 N ATOM 0 H ARG A 90 7.659 -2.403 -3.057 1.00 0.00 H new ATOM 0 HA ARG A 90 6.643 0.233 -3.836 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.289 -2.222 -2.701 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.477 -0.757 -3.217 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.042 -2.666 -4.993 1.00 0.00 H new ATOM 0 HG3 ARG A 90 4.298 -2.518 -4.913 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.223 -0.374 -5.906 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.209 -1.390 -6.912 1.00 0.00 H new ATOM 0 HE ARG A 90 4.420 0.998 -5.449 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.082 -1.964 -6.841 1.00 0.00 H new ATOM 0 HH12 ARG A 90 1.453 -1.281 -6.887 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.345 1.749 -5.505 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.053 0.737 -6.161 1.00 0.00 H new ATOM 1128 N LEU A 91 6.924 -0.842 -0.702 1.00 0.00 N ATOM 1129 CA LEU A 91 7.027 -0.466 0.714 1.00 0.00 C ATOM 1130 C LEU A 91 8.269 0.394 1.032 1.00 0.00 C ATOM 1131 O LEU A 91 8.230 1.206 1.954 1.00 0.00 O ATOM 1132 CB LEU A 91 6.915 -1.747 1.566 1.00 0.00 C ATOM 1133 CG LEU A 91 8.230 -2.389 2.037 1.00 0.00 C ATOM 1134 CD1 LEU A 91 8.793 -1.732 3.305 1.00 0.00 C ATOM 1135 CD2 LEU A 91 7.990 -3.871 2.301 1.00 0.00 C ATOM 0 H LEU A 91 7.130 -1.828 -0.865 1.00 0.00 H new ATOM 0 HA LEU A 91 6.200 0.196 0.971 1.00 0.00 H new ATOM 0 HB2 LEU A 91 6.316 -1.517 2.447 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.363 -2.490 0.990 1.00 0.00 H new ATOM 0 HG LEU A 91 8.967 -2.245 1.247 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.721 -2.227 3.590 1.00 0.00 H new ATOM 0 HD12 LEU A 91 8.989 -0.677 3.112 1.00 0.00 H new ATOM 0 HD13 LEU A 91 8.069 -1.825 4.115 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.917 -4.336 2.636 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.228 -3.984 3.072 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.653 -4.354 1.384 1.00 0.00 H new ATOM 1147 N GLN A 92 9.351 0.284 0.249 1.00 0.00 N ATOM 1148 CA GLN A 92 10.566 1.100 0.417 1.00 0.00 C ATOM 1149 C GLN A 92 10.264 2.613 0.351 1.00 0.00 C ATOM 1150 O GLN A 92 10.831 3.415 1.095 1.00 0.00 O ATOM 1151 CB GLN A 92 11.650 0.654 -0.598 1.00 0.00 C ATOM 1152 CG GLN A 92 11.551 1.348 -1.961 1.00 0.00 C ATOM 1153 CD GLN A 92 12.509 0.819 -3.026 1.00 0.00 C ATOM 1154 OE1 GLN A 92 13.609 0.350 -2.763 1.00 0.00 O ATOM 1155 NE2 GLN A 92 12.125 0.902 -4.283 1.00 0.00 N ATOM 0 H GLN A 92 9.410 -0.378 -0.525 1.00 0.00 H new ATOM 0 HA GLN A 92 10.962 0.929 1.418 1.00 0.00 H new ATOM 0 HB2 GLN A 92 12.634 0.850 -0.173 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.575 -0.424 -0.744 1.00 0.00 H new ATOM 0 HG2 GLN A 92 10.530 1.247 -2.330 1.00 0.00 H new ATOM 0 HG3 GLN A 92 11.737 2.413 -1.824 1.00 0.00 H new ATOM 0 HE21 GLN A 92 11.210 1.291 -4.512 1.00 0.00 H new ATOM 0 HE22 GLN A 92 12.742 0.577 -5.027 1.00 0.00 H new ATOM 1164 N GLY A 93 9.316 2.984 -0.515 1.00 0.00 N ATOM 1165 CA GLY A 93 8.820 4.350 -0.713 1.00 0.00 C ATOM 1166 C GLY A 93 7.906 4.827 0.418 1.00 0.00 C ATOM 1167 O GLY A 93 7.874 6.021 0.721 1.00 0.00 O ATOM 0 H GLY A 93 8.852 2.310 -1.125 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.668 5.029 -0.798 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.277 4.400 -1.657 1.00 0.00 H new ATOM 1171 N LEU A 94 7.195 3.907 1.083 1.00 0.00 N ATOM 1172 CA LEU A 94 6.370 4.227 2.249 1.00 0.00 C ATOM 1173 C LEU A 94 7.233 4.739 3.408 1.00 0.00 C ATOM 1174 O LEU A 94 6.822 5.661 4.101 1.00 0.00 O ATOM 1175 CB LEU A 94 5.544 3.003 2.699 1.00 0.00 C ATOM 1176 CG LEU A 94 4.063 3.037 2.307 1.00 0.00 C ATOM 1177 CD1 LEU A 94 3.373 1.806 2.889 1.00 0.00 C ATOM 1178 CD2 LEU A 94 3.352 4.277 2.852 1.00 0.00 C ATOM 0 H LEU A 94 7.177 2.920 0.825 1.00 0.00 H new ATOM 0 HA LEU A 94 5.680 5.018 1.956 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.995 2.105 2.277 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.615 2.915 3.783 1.00 0.00 H new ATOM 0 HG LEU A 94 4.009 3.057 1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.318 1.818 2.617 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.840 0.905 2.491 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.468 1.815 3.975 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.305 4.259 2.549 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.415 4.284 3.940 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.829 5.173 2.455 1.00 0.00 H new ATOM 1190 N GLN A 95 8.445 4.204 3.602 1.00 0.00 N ATOM 1191 CA GLN A 95 9.345 4.662 4.669 1.00 0.00 C ATOM 1192 C GLN A 95 9.728 6.138 4.474 1.00 0.00 C ATOM 1193 O GLN A 95 9.801 6.900 5.440 1.00 0.00 O ATOM 1194 CB GLN A 95 10.599 3.769 4.741 1.00 0.00 C ATOM 1195 CG GLN A 95 11.197 3.765 6.160 1.00 0.00 C ATOM 1196 CD GLN A 95 12.404 2.832 6.294 1.00 0.00 C ATOM 1197 OE1 GLN A 95 13.275 2.752 5.437 1.00 0.00 O ATOM 1198 NE2 GLN A 95 12.522 2.099 7.383 1.00 0.00 N ATOM 0 H GLN A 95 8.827 3.450 3.031 1.00 0.00 H new ATOM 0 HA GLN A 95 8.815 4.581 5.618 1.00 0.00 H new ATOM 0 HB2 GLN A 95 10.341 2.751 4.449 1.00 0.00 H new ATOM 0 HB3 GLN A 95 11.344 4.126 4.030 1.00 0.00 H new ATOM 0 HG2 GLN A 95 11.496 4.779 6.426 1.00 0.00 H new ATOM 0 HG3 GLN A 95 10.429 3.462 6.872 1.00 0.00 H new ATOM 0 HE21 GLN A 95 11.809 2.149 8.111 1.00 0.00 H new ATOM 0 HE22 GLN A 95 13.326 1.482 7.498 1.00 0.00 H new ATOM 1207 N LYS A 96 9.909 6.556 3.212 1.00 0.00 N ATOM 1208 CA LYS A 96 10.246 7.928 2.811 1.00 0.00 C ATOM 1209 C LYS A 96 9.169 8.952 3.199 1.00 0.00 C ATOM 1210 O LYS A 96 9.510 10.057 3.614 1.00 0.00 O ATOM 1211 CB LYS A 96 10.526 7.975 1.299 1.00 0.00 C ATOM 1212 CG LYS A 96 11.443 9.159 0.951 1.00 0.00 C ATOM 1213 CD LYS A 96 11.341 9.534 -0.530 1.00 0.00 C ATOM 1214 CE LYS A 96 12.333 10.659 -0.844 1.00 0.00 C ATOM 1215 NZ LYS A 96 12.048 11.288 -2.161 1.00 0.00 N ATOM 0 H LYS A 96 9.821 5.925 2.416 1.00 0.00 H new ATOM 0 HA LYS A 96 11.144 8.212 3.359 1.00 0.00 H new ATOM 0 HB2 LYS A 96 10.992 7.042 0.982 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.587 8.064 0.753 1.00 0.00 H new ATOM 0 HG2 LYS A 96 11.176 10.020 1.564 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.475 8.904 1.192 1.00 0.00 H new ATOM 0 HD2 LYS A 96 11.553 8.664 -1.151 1.00 0.00 H new ATOM 0 HD3 LYS A 96 10.326 9.854 -0.766 1.00 0.00 H new ATOM 0 HE2 LYS A 96 12.286 11.416 -0.061 1.00 0.00 H new ATOM 0 HE3 LYS A 96 13.348 10.261 -0.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.738 12.045 -2.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 12.117 10.571 -2.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.089 11.689 -2.154 1.00 0.00 H new ATOM 1229 N LEU A 97 7.884 8.587 3.115 1.00 0.00 N ATOM 1230 CA LEU A 97 6.746 9.417 3.509 1.00 0.00 C ATOM 1231 C LEU A 97 6.862 9.856 4.976 1.00 0.00 C ATOM 1232 O LEU A 97 6.825 11.054 5.268 1.00 0.00 O ATOM 1233 CB LEU A 97 5.465 8.616 3.214 1.00 0.00 C ATOM 1234 CG LEU A 97 4.179 9.158 3.831 1.00 0.00 C ATOM 1235 CD1 LEU A 97 3.849 10.600 3.448 1.00 0.00 C ATOM 1236 CD2 LEU A 97 3.028 8.232 3.441 1.00 0.00 C ATOM 0 H LEU A 97 7.601 7.674 2.758 1.00 0.00 H new ATOM 0 HA LEU A 97 6.721 10.345 2.937 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.333 8.566 2.133 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.610 7.594 3.565 1.00 0.00 H new ATOM 0 HG LEU A 97 4.329 9.179 4.910 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.920 10.901 3.931 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.656 11.257 3.773 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.735 10.672 2.366 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.099 8.604 3.874 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.936 8.203 2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.226 7.228 3.816 1.00 0.00 H new ATOM 1248 N ILE A 98 7.042 8.900 5.896 1.00 0.00 N ATOM 1249 CA ILE A 98 7.270 9.227 7.310 1.00 0.00 C ATOM 1250 C ILE A 98 8.614 9.946 7.485 1.00 0.00 C ATOM 1251 O ILE A 98 8.656 10.975 8.147 1.00 0.00 O ATOM 1252 CB ILE A 98 7.178 8.002 8.247 1.00 0.00 C ATOM 1253 CG1 ILE A 98 5.914 7.152 7.996 1.00 0.00 C ATOM 1254 CG2 ILE A 98 7.159 8.477 9.708 1.00 0.00 C ATOM 1255 CD1 ILE A 98 6.164 5.965 7.071 1.00 0.00 C ATOM 0 H ILE A 98 7.034 7.901 5.690 1.00 0.00 H new ATOM 0 HA ILE A 98 6.462 9.896 7.606 1.00 0.00 H new ATOM 0 HB ILE A 98 8.049 7.380 8.042 1.00 0.00 H new ATOM 0 HG12 ILE A 98 5.533 6.787 8.950 1.00 0.00 H new ATOM 0 HG13 ILE A 98 5.138 7.784 7.564 1.00 0.00 H new ATOM 0 HG21 ILE A 98 7.094 7.614 10.370 1.00 0.00 H new ATOM 0 HG22 ILE A 98 8.073 9.031 9.922 1.00 0.00 H new ATOM 0 HG23 ILE A 98 6.296 9.124 9.869 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.237 5.408 6.935 1.00 0.00 H new ATOM 0 HD12 ILE A 98 6.516 6.325 6.104 1.00 0.00 H new ATOM 0 HD13 ILE A 98 6.918 5.313 7.512 1.00 0.00 H new ATOM 1267 N ASN A 99 9.702 9.458 6.876 1.00 0.00 N ATOM 1268 CA ASN A 99 11.040 10.055 6.983 1.00 0.00 C ATOM 1269 C ASN A 99 11.085 11.553 6.598 1.00 0.00 C ATOM 1270 O ASN A 99 11.879 12.307 7.158 1.00 0.00 O ATOM 1271 CB ASN A 99 12.011 9.218 6.137 1.00 0.00 C ATOM 1272 CG ASN A 99 13.456 9.681 6.242 1.00 0.00 C ATOM 1273 OD1 ASN A 99 14.020 9.812 7.318 1.00 0.00 O ATOM 1274 ND2 ASN A 99 14.114 9.912 5.127 1.00 0.00 N ATOM 0 H ASN A 99 9.678 8.626 6.287 1.00 0.00 H new ATOM 0 HA ASN A 99 11.340 10.035 8.031 1.00 0.00 H new ATOM 0 HB2 ASN A 99 11.948 8.176 6.449 1.00 0.00 H new ATOM 0 HB3 ASN A 99 11.699 9.258 5.093 1.00 0.00 H new ATOM 0 HD21 ASN A 99 15.092 10.200 5.162 1.00 0.00 H new ATOM 0 HD22 ASN A 99 13.646 9.804 4.227 1.00 0.00 H new ATOM 1281 N ASP A 100 10.231 12.005 5.673 1.00 0.00 N ATOM 1282 CA ASP A 100 10.106 13.421 5.303 1.00 0.00 C ATOM 1283 C ASP A 100 9.462 14.266 6.424 1.00 0.00 C ATOM 1284 O ASP A 100 10.006 15.301 6.817 1.00 0.00 O ATOM 1285 CB ASP A 100 9.307 13.546 3.997 1.00 0.00 C ATOM 1286 CG ASP A 100 9.279 14.993 3.471 1.00 0.00 C ATOM 1287 OD1 ASP A 100 10.360 15.616 3.340 1.00 0.00 O ATOM 1288 OD2 ASP A 100 8.179 15.504 3.149 1.00 0.00 O ATOM 0 H ASP A 100 9.601 11.393 5.155 1.00 0.00 H new ATOM 0 HA ASP A 100 11.111 13.817 5.153 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.745 12.894 3.241 1.00 0.00 H new ATOM 0 HB3 ASP A 100 8.286 13.201 4.163 1.00 0.00 H new ATOM 1293 N SER A 101 8.327 13.810 6.971 1.00 0.00 N ATOM 1294 CA SER A 101 7.531 14.507 8.005 1.00 0.00 C ATOM 1295 C SER A 101 7.737 13.929 9.421 1.00 0.00 C ATOM 1296 O SER A 101 6.855 14.015 10.275 1.00 0.00 O ATOM 1297 CB SER A 101 6.033 14.547 7.634 1.00 0.00 C ATOM 1298 OG SER A 101 5.811 14.892 6.274 1.00 0.00 O ATOM 0 H SER A 101 7.919 12.915 6.700 1.00 0.00 H new ATOM 0 HA SER A 101 7.904 15.531 8.032 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.588 13.572 7.834 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.524 15.267 8.274 1.00 0.00 H new ATOM 0 HG SER A 101 4.848 14.901 6.092 1.00 0.00 H new ATOM 1304 N VAL A 102 8.889 13.317 9.705 1.00 0.00 N ATOM 1305 CA VAL A 102 9.165 12.584 10.955 1.00 0.00 C ATOM 1306 C VAL A 102 9.108 13.468 12.202 1.00 0.00 C ATOM 1307 O VAL A 102 8.527 13.089 13.216 1.00 0.00 O ATOM 1308 CB VAL A 102 10.513 11.835 10.866 1.00 0.00 C ATOM 1309 CG1 VAL A 102 11.685 12.752 10.489 1.00 0.00 C ATOM 1310 CG2 VAL A 102 10.891 11.120 12.170 1.00 0.00 C ATOM 0 H VAL A 102 9.679 13.314 9.060 1.00 0.00 H new ATOM 0 HA VAL A 102 8.363 11.854 11.066 1.00 0.00 H new ATOM 0 HB VAL A 102 10.350 11.101 10.077 1.00 0.00 H new ATOM 0 HG11 VAL A 102 12.604 12.168 10.442 1.00 0.00 H new ATOM 0 HG12 VAL A 102 11.494 13.206 9.516 1.00 0.00 H new ATOM 0 HG13 VAL A 102 11.791 13.535 11.240 1.00 0.00 H new ATOM 0 HG21 VAL A 102 11.847 10.613 12.043 1.00 0.00 H new ATOM 0 HG22 VAL A 102 10.972 11.850 12.975 1.00 0.00 H new ATOM 0 HG23 VAL A 102 10.123 10.388 12.420 1.00 0.00 H new ATOM 1320 N PHE A 103 9.658 14.680 12.123 1.00 0.00 N ATOM 1321 CA PHE A 103 9.598 15.672 13.202 1.00 0.00 C ATOM 1322 C PHE A 103 8.235 16.387 13.269 1.00 0.00 C ATOM 1323 O PHE A 103 8.002 17.196 14.171 1.00 0.00 O ATOM 1324 CB PHE A 103 10.752 16.671 13.024 1.00 0.00 C ATOM 1325 CG PHE A 103 12.116 16.033 12.801 1.00 0.00 C ATOM 1326 CD1 PHE A 103 12.565 14.985 13.633 1.00 0.00 C ATOM 1327 CD2 PHE A 103 12.927 16.463 11.733 1.00 0.00 C ATOM 1328 CE1 PHE A 103 13.802 14.361 13.384 1.00 0.00 C ATOM 1329 CE2 PHE A 103 14.168 15.847 11.492 1.00 0.00 C ATOM 1330 CZ PHE A 103 14.603 14.793 12.313 1.00 0.00 C ATOM 0 H PHE A 103 10.164 15.006 11.300 1.00 0.00 H new ATOM 0 HA PHE A 103 9.708 15.155 14.155 1.00 0.00 H new ATOM 0 HB2 PHE A 103 10.526 17.319 12.177 1.00 0.00 H new ATOM 0 HB3 PHE A 103 10.804 17.307 13.908 1.00 0.00 H new ATOM 0 HD1 PHE A 103 11.957 14.660 14.464 1.00 0.00 H new ATOM 0 HD2 PHE A 103 12.594 17.269 11.096 1.00 0.00 H new ATOM 0 HE1 PHE A 103 14.135 13.551 14.016 1.00 0.00 H new ATOM 0 HE2 PHE A 103 14.788 16.185 10.674 1.00 0.00 H new ATOM 0 HZ PHE A 103 15.552 14.315 12.121 1.00 0.00 H new ATOM 1340 N PHE A 104 7.331 16.086 12.329 1.00 0.00 N ATOM 1341 CA PHE A 104 5.966 16.625 12.279 1.00 0.00 C ATOM 1342 C PHE A 104 4.954 15.646 12.899 1.00 0.00 C ATOM 1343 O PHE A 104 4.143 16.038 13.742 1.00 0.00 O ATOM 1344 CB PHE A 104 5.613 16.999 10.828 1.00 0.00 C ATOM 1345 CG PHE A 104 4.129 17.091 10.557 1.00 0.00 C ATOM 1346 CD1 PHE A 104 3.430 18.267 10.879 1.00 0.00 C ATOM 1347 CD2 PHE A 104 3.440 15.970 10.054 1.00 0.00 C ATOM 1348 CE1 PHE A 104 2.034 18.309 10.735 1.00 0.00 C ATOM 1349 CE2 PHE A 104 2.046 16.011 9.908 1.00 0.00 C ATOM 1350 CZ PHE A 104 1.350 17.174 10.272 1.00 0.00 C ATOM 0 H PHE A 104 7.534 15.444 11.562 1.00 0.00 H new ATOM 0 HA PHE A 104 5.915 17.532 12.882 1.00 0.00 H new ATOM 0 HB2 PHE A 104 6.075 17.957 10.589 1.00 0.00 H new ATOM 0 HB3 PHE A 104 6.049 16.258 10.157 1.00 0.00 H new ATOM 0 HD1 PHE A 104 3.965 19.135 11.236 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.986 15.079 9.781 1.00 0.00 H new ATOM 0 HE1 PHE A 104 1.490 19.209 10.979 1.00 0.00 H new ATOM 0 HE2 PHE A 104 1.513 15.156 9.519 1.00 0.00 H new ATOM 0 HZ PHE A 104 0.273 17.196 10.195 1.00 0.00 H new ATOM 1360 N LEU A 105 5.013 14.371 12.504 1.00 0.00 N ATOM 1361 CA LEU A 105 4.188 13.293 13.050 1.00 0.00 C ATOM 1362 C LEU A 105 4.434 13.097 14.555 1.00 0.00 C ATOM 1363 O LEU A 105 5.577 13.117 15.022 1.00 0.00 O ATOM 1364 CB LEU A 105 4.469 12.006 12.251 1.00 0.00 C ATOM 1365 CG LEU A 105 3.953 12.045 10.798 1.00 0.00 C ATOM 1366 CD1 LEU A 105 4.287 10.737 10.086 1.00 0.00 C ATOM 1367 CD2 LEU A 105 2.446 12.268 10.719 1.00 0.00 C ATOM 0 H LEU A 105 5.653 14.053 11.776 1.00 0.00 H new ATOM 0 HA LEU A 105 3.135 13.556 12.949 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.544 11.825 12.239 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.009 11.163 12.767 1.00 0.00 H new ATOM 0 HG LEU A 105 4.449 12.886 10.314 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.918 10.776 9.061 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.367 10.593 10.077 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.815 9.906 10.610 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.135 12.287 9.674 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.931 11.459 11.236 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.194 13.218 11.190 1.00 0.00 H new ATOM 1379 N ALA A 106 3.352 12.901 15.317 1.00 0.00 N ATOM 1380 CA ALA A 106 3.417 12.607 16.750 1.00 0.00 C ATOM 1381 C ALA A 106 4.199 11.310 17.017 1.00 0.00 C ATOM 1382 O ALA A 106 4.178 10.397 16.190 1.00 0.00 O ATOM 1383 CB ALA A 106 1.985 12.490 17.295 1.00 0.00 C ATOM 0 H ALA A 106 2.400 12.943 14.952 1.00 0.00 H new ATOM 0 HA ALA A 106 3.943 13.416 17.257 1.00 0.00 H new ATOM 0 HB1 ALA A 106 2.019 12.271 18.362 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.456 13.430 17.134 1.00 0.00 H new ATOM 0 HB3 ALA A 106 1.463 11.686 16.776 1.00 0.00 H new ATOM 1389 N ALA A 107 4.802 11.176 18.205 1.00 0.00 N ATOM 1390 CA ALA A 107 5.535 9.971 18.622 1.00 0.00 C ATOM 1391 C ALA A 107 4.716 8.670 18.445 1.00 0.00 C ATOM 1392 O ALA A 107 5.271 7.619 18.115 1.00 0.00 O ATOM 1393 CB ALA A 107 5.990 10.170 20.074 1.00 0.00 C ATOM 0 H ALA A 107 4.795 11.910 18.913 1.00 0.00 H new ATOM 0 HA ALA A 107 6.401 9.843 17.973 1.00 0.00 H new ATOM 0 HB1 ALA A 107 6.537 9.288 20.408 1.00 0.00 H new ATOM 0 HB2 ALA A 107 6.638 11.044 20.136 1.00 0.00 H new ATOM 0 HB3 ALA A 107 5.118 10.319 20.711 1.00 0.00 H new ATOM 1399 N TYR A 108 3.392 8.760 18.618 1.00 0.00 N ATOM 1400 CA TYR A 108 2.428 7.683 18.399 1.00 0.00 C ATOM 1401 C TYR A 108 2.320 7.335 16.905 1.00 0.00 C ATOM 1402 O TYR A 108 2.667 6.231 16.493 1.00 0.00 O ATOM 1403 CB TYR A 108 1.072 8.111 18.979 1.00 0.00 C ATOM 1404 CG TYR A 108 -0.095 7.219 18.593 1.00 0.00 C ATOM 1405 CD1 TYR A 108 -0.248 5.953 19.192 1.00 0.00 C ATOM 1406 CD2 TYR A 108 -1.021 7.652 17.623 1.00 0.00 C ATOM 1407 CE1 TYR A 108 -1.332 5.130 18.831 1.00 0.00 C ATOM 1408 CE2 TYR A 108 -2.104 6.831 17.257 1.00 0.00 C ATOM 1409 CZ TYR A 108 -2.267 5.568 17.868 1.00 0.00 C ATOM 1410 OH TYR A 108 -3.318 4.770 17.534 1.00 0.00 O ATOM 0 H TYR A 108 2.947 9.624 18.928 1.00 0.00 H new ATOM 0 HA TYR A 108 2.764 6.779 18.907 1.00 0.00 H new ATOM 0 HB2 TYR A 108 1.149 8.135 20.066 1.00 0.00 H new ATOM 0 HB3 TYR A 108 0.857 9.128 18.652 1.00 0.00 H new ATOM 0 HD1 TYR A 108 0.466 5.614 19.928 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -0.899 8.619 17.158 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -1.449 4.160 19.292 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -2.809 7.166 16.511 1.00 0.00 H new ATOM 0 HH TYR A 108 -3.868 5.219 16.858 1.00 0.00 H new ATOM 1420 N ASP A 109 1.865 8.289 16.088 1.00 0.00 N ATOM 1421 CA ASP A 109 1.615 8.145 14.645 1.00 0.00 C ATOM 1422 C ASP A 109 2.864 7.714 13.863 1.00 0.00 C ATOM 1423 O ASP A 109 2.788 6.946 12.902 1.00 0.00 O ATOM 1424 CB ASP A 109 1.102 9.482 14.097 1.00 0.00 C ATOM 1425 CG ASP A 109 -0.250 9.349 13.375 1.00 0.00 C ATOM 1426 OD1 ASP A 109 -0.377 8.492 12.470 1.00 0.00 O ATOM 1427 OD2 ASP A 109 -1.189 10.104 13.722 1.00 0.00 O ATOM 0 H ASP A 109 1.650 9.227 16.427 1.00 0.00 H new ATOM 0 HA ASP A 109 0.873 7.357 14.515 1.00 0.00 H new ATOM 0 HB2 ASP A 109 1.002 10.192 14.918 1.00 0.00 H new ATOM 0 HB3 ASP A 109 1.839 9.894 13.407 1.00 0.00 H new ATOM 1432 N LEU A 110 4.030 8.186 14.308 1.00 0.00 N ATOM 1433 CA LEU A 110 5.335 7.819 13.779 1.00 0.00 C ATOM 1434 C LEU A 110 5.568 6.311 13.936 1.00 0.00 C ATOM 1435 O LEU A 110 5.713 5.585 12.946 1.00 0.00 O ATOM 1436 CB LEU A 110 6.405 8.656 14.516 1.00 0.00 C ATOM 1437 CG LEU A 110 7.729 8.833 13.767 1.00 0.00 C ATOM 1438 CD1 LEU A 110 8.355 7.553 13.224 1.00 0.00 C ATOM 1439 CD2 LEU A 110 7.507 9.819 12.628 1.00 0.00 C ATOM 0 H LEU A 110 4.088 8.858 15.074 1.00 0.00 H new ATOM 0 HA LEU A 110 5.395 8.033 12.712 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.990 9.642 14.725 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.611 8.186 15.478 1.00 0.00 H new ATOM 0 HG LEU A 110 8.446 9.200 14.502 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.287 7.792 12.712 1.00 0.00 H new ATOM 0 HD12 LEU A 110 8.559 6.869 14.048 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.667 7.081 12.523 1.00 0.00 H new ATOM 0 HD21 LEU A 110 8.439 9.959 12.081 1.00 0.00 H new ATOM 0 HD22 LEU A 110 6.745 9.429 11.953 1.00 0.00 H new ATOM 0 HD23 LEU A 110 7.177 10.775 13.034 1.00 0.00 H new ATOM 1451 N ARG A 111 5.576 5.834 15.188 1.00 0.00 N ATOM 1452 CA ARG A 111 5.761 4.414 15.518 1.00 0.00 C ATOM 1453 C ARG A 111 4.677 3.523 14.910 1.00 0.00 C ATOM 1454 O ARG A 111 4.966 2.409 14.478 1.00 0.00 O ATOM 1455 CB ARG A 111 5.922 4.250 17.042 1.00 0.00 C ATOM 1456 CG ARG A 111 6.454 2.859 17.432 1.00 0.00 C ATOM 1457 CD ARG A 111 6.625 2.698 18.950 1.00 0.00 C ATOM 1458 NE ARG A 111 7.780 3.456 19.482 1.00 0.00 N ATOM 1459 CZ ARG A 111 8.033 3.733 20.751 1.00 0.00 C ATOM 1460 NH1 ARG A 111 7.212 3.405 21.709 1.00 0.00 N ATOM 1461 NH2 ARG A 111 9.131 4.346 21.091 1.00 0.00 N ATOM 0 H ARG A 111 5.453 6.428 16.008 1.00 0.00 H new ATOM 0 HA ARG A 111 6.683 4.064 15.055 1.00 0.00 H new ATOM 0 HB2 ARG A 111 6.603 5.014 17.416 1.00 0.00 H new ATOM 0 HB3 ARG A 111 4.959 4.416 17.526 1.00 0.00 H new ATOM 0 HG2 ARG A 111 5.769 2.095 17.064 1.00 0.00 H new ATOM 0 HG3 ARG A 111 7.413 2.690 16.942 1.00 0.00 H new ATOM 0 HD2 ARG A 111 5.716 3.032 19.451 1.00 0.00 H new ATOM 0 HD3 ARG A 111 6.750 1.641 19.187 1.00 0.00 H new ATOM 0 HE ARG A 111 8.452 3.802 18.797 1.00 0.00 H new ATOM 0 HH11 ARG A 111 6.342 2.919 21.491 1.00 0.00 H new ATOM 0 HH12 ARG A 111 7.439 3.634 22.676 1.00 0.00 H new ATOM 0 HH21 ARG A 111 9.806 4.617 20.376 1.00 0.00 H new ATOM 0 HH22 ARG A 111 9.316 4.555 22.072 1.00 0.00 H new ATOM 1475 N GLN A 112 3.463 4.052 14.793 1.00 0.00 N ATOM 1476 CA GLN A 112 2.315 3.403 14.144 1.00 0.00 C ATOM 1477 C GLN A 112 2.580 3.144 12.648 1.00 0.00 C ATOM 1478 O GLN A 112 2.413 2.015 12.182 1.00 0.00 O ATOM 1479 CB GLN A 112 1.060 4.272 14.322 1.00 0.00 C ATOM 1480 CG GLN A 112 0.391 4.136 15.701 1.00 0.00 C ATOM 1481 CD GLN A 112 -0.751 3.121 15.698 1.00 0.00 C ATOM 1482 OE1 GLN A 112 -0.694 2.069 16.323 1.00 0.00 O ATOM 1483 NE2 GLN A 112 -1.827 3.390 14.986 1.00 0.00 N ATOM 0 H GLN A 112 3.237 4.977 15.159 1.00 0.00 H new ATOM 0 HA GLN A 112 2.158 2.435 14.621 1.00 0.00 H new ATOM 0 HB2 GLN A 112 1.329 5.316 14.162 1.00 0.00 H new ATOM 0 HB3 GLN A 112 0.336 4.008 13.551 1.00 0.00 H new ATOM 0 HG2 GLN A 112 1.138 3.836 16.436 1.00 0.00 H new ATOM 0 HG3 GLN A 112 0.009 5.108 16.014 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -1.886 4.263 14.461 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -2.600 2.726 14.960 1.00 0.00 H new ATOM 1492 N GLY A 113 3.015 4.163 11.894 1.00 0.00 N ATOM 1493 CA GLY A 113 3.333 4.041 10.469 1.00 0.00 C ATOM 1494 C GLY A 113 4.529 3.127 10.201 1.00 0.00 C ATOM 1495 O GLY A 113 4.443 2.223 9.372 1.00 0.00 O ATOM 0 H GLY A 113 3.157 5.104 12.262 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.462 3.655 9.940 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.541 5.031 10.062 1.00 0.00 H new ATOM 1499 N GLN A 114 5.640 3.306 10.924 1.00 0.00 N ATOM 1500 CA GLN A 114 6.811 2.429 10.774 1.00 0.00 C ATOM 1501 C GLN A 114 6.503 0.945 11.068 1.00 0.00 C ATOM 1502 O GLN A 114 7.012 0.069 10.368 1.00 0.00 O ATOM 1503 CB GLN A 114 7.985 2.935 11.627 1.00 0.00 C ATOM 1504 CG GLN A 114 8.738 4.095 10.946 1.00 0.00 C ATOM 1505 CD GLN A 114 10.095 4.392 11.593 1.00 0.00 C ATOM 1506 OE1 GLN A 114 10.785 3.530 12.123 1.00 0.00 O ATOM 1507 NE2 GLN A 114 10.564 5.620 11.544 1.00 0.00 N ATOM 0 H GLN A 114 5.755 4.046 11.616 1.00 0.00 H new ATOM 0 HA GLN A 114 7.098 2.473 9.723 1.00 0.00 H new ATOM 0 HB2 GLN A 114 7.612 3.265 12.597 1.00 0.00 H new ATOM 0 HB3 GLN A 114 8.677 2.114 11.814 1.00 0.00 H new ATOM 0 HG2 GLN A 114 8.889 3.854 9.894 1.00 0.00 H new ATOM 0 HG3 GLN A 114 8.120 4.992 10.983 1.00 0.00 H new ATOM 0 HE21 GLN A 114 10.012 6.360 11.109 1.00 0.00 H new ATOM 0 HE22 GLN A 114 11.479 5.833 11.941 1.00 0.00 H new ATOM 1516 N GLU A 115 5.641 0.638 12.045 1.00 0.00 N ATOM 1517 CA GLU A 115 5.198 -0.741 12.333 1.00 0.00 C ATOM 1518 C GLU A 115 4.411 -1.393 11.189 1.00 0.00 C ATOM 1519 O GLU A 115 4.523 -2.597 10.946 1.00 0.00 O ATOM 1520 CB GLU A 115 4.375 -0.775 13.628 1.00 0.00 C ATOM 1521 CG GLU A 115 5.232 -1.029 14.878 1.00 0.00 C ATOM 1522 CD GLU A 115 5.226 -2.523 15.263 1.00 0.00 C ATOM 1523 OE1 GLU A 115 5.935 -3.326 14.611 1.00 0.00 O ATOM 1524 OE2 GLU A 115 4.510 -2.903 16.221 1.00 0.00 O ATOM 0 H GLU A 115 5.227 1.337 12.662 1.00 0.00 H new ATOM 0 HA GLU A 115 6.107 -1.331 12.451 1.00 0.00 H new ATOM 0 HB2 GLU A 115 3.848 0.172 13.742 1.00 0.00 H new ATOM 0 HB3 GLU A 115 3.617 -1.554 13.550 1.00 0.00 H new ATOM 0 HG2 GLU A 115 6.255 -0.702 14.693 1.00 0.00 H new ATOM 0 HG3 GLU A 115 4.853 -0.435 15.709 1.00 0.00 H new ATOM 1531 N ALA A 116 3.641 -0.597 10.453 1.00 0.00 N ATOM 1532 CA ALA A 116 2.851 -1.060 9.313 1.00 0.00 C ATOM 1533 C ALA A 116 3.720 -1.555 8.144 1.00 0.00 C ATOM 1534 O ALA A 116 3.390 -2.583 7.559 1.00 0.00 O ATOM 1535 CB ALA A 116 1.862 0.024 8.884 1.00 0.00 C ATOM 0 H ALA A 116 3.546 0.402 10.633 1.00 0.00 H new ATOM 0 HA ALA A 116 2.283 -1.932 9.636 1.00 0.00 H new ATOM 0 HB1 ALA A 116 1.279 -0.331 8.034 1.00 0.00 H new ATOM 0 HB2 ALA A 116 1.193 0.254 9.713 1.00 0.00 H new ATOM 0 HB3 ALA A 116 2.409 0.923 8.599 1.00 0.00 H new ATOM 1541 N LEU A 117 4.845 -0.899 7.824 1.00 0.00 N ATOM 1542 CA LEU A 117 5.777 -1.386 6.785 1.00 0.00 C ATOM 1543 C LEU A 117 6.232 -2.830 7.052 1.00 0.00 C ATOM 1544 O LEU A 117 6.243 -3.671 6.150 1.00 0.00 O ATOM 1545 CB LEU A 117 7.026 -0.494 6.709 1.00 0.00 C ATOM 1546 CG LEU A 117 6.876 0.730 5.802 1.00 0.00 C ATOM 1547 CD1 LEU A 117 6.024 1.827 6.433 1.00 0.00 C ATOM 1548 CD2 LEU A 117 8.254 1.309 5.529 1.00 0.00 C ATOM 0 H LEU A 117 5.136 -0.028 8.268 1.00 0.00 H new ATOM 0 HA LEU A 117 5.232 -1.353 5.842 1.00 0.00 H new ATOM 0 HB2 LEU A 117 7.278 -0.157 7.714 1.00 0.00 H new ATOM 0 HB3 LEU A 117 7.864 -1.093 6.354 1.00 0.00 H new ATOM 0 HG LEU A 117 6.383 0.398 4.889 1.00 0.00 H new ATOM 0 HD11 LEU A 117 5.951 2.671 5.747 1.00 0.00 H new ATOM 0 HD12 LEU A 117 5.026 1.439 6.639 1.00 0.00 H new ATOM 0 HD13 LEU A 117 6.485 2.156 7.364 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.160 2.182 4.883 1.00 0.00 H new ATOM 0 HD22 LEU A 117 8.719 1.602 6.470 1.00 0.00 H new ATOM 0 HD23 LEU A 117 8.873 0.559 5.037 1.00 0.00 H new ATOM 1560 N ALA A 118 6.588 -3.118 8.305 1.00 0.00 N ATOM 1561 CA ALA A 118 7.041 -4.442 8.741 1.00 0.00 C ATOM 1562 C ALA A 118 5.936 -5.502 8.615 1.00 0.00 C ATOM 1563 O ALA A 118 6.212 -6.671 8.337 1.00 0.00 O ATOM 1564 CB ALA A 118 7.490 -4.352 10.201 1.00 0.00 C ATOM 0 H ALA A 118 6.570 -2.429 9.057 1.00 0.00 H new ATOM 0 HA ALA A 118 7.865 -4.747 8.096 1.00 0.00 H new ATOM 0 HB1 ALA A 118 7.830 -5.331 10.538 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.307 -3.635 10.287 1.00 0.00 H new ATOM 0 HB3 ALA A 118 6.654 -4.025 10.819 1.00 0.00 H new ATOM 1570 N ARG A 119 4.673 -5.090 8.786 1.00 0.00 N ATOM 1571 CA ARG A 119 3.491 -5.948 8.652 1.00 0.00 C ATOM 1572 C ARG A 119 3.372 -6.515 7.231 1.00 0.00 C ATOM 1573 O ARG A 119 3.105 -7.703 7.051 1.00 0.00 O ATOM 1574 CB ARG A 119 2.250 -5.137 9.072 1.00 0.00 C ATOM 1575 CG ARG A 119 1.088 -6.007 9.562 1.00 0.00 C ATOM 1576 CD ARG A 119 -0.004 -5.105 10.156 1.00 0.00 C ATOM 1577 NE ARG A 119 -1.080 -5.891 10.786 1.00 0.00 N ATOM 1578 CZ ARG A 119 -2.095 -5.424 11.494 1.00 0.00 C ATOM 1579 NH1 ARG A 119 -2.279 -4.146 11.682 1.00 0.00 N ATOM 1580 NH2 ARG A 119 -2.954 -6.239 12.033 1.00 0.00 N ATOM 0 H ARG A 119 4.440 -4.127 9.027 1.00 0.00 H new ATOM 0 HA ARG A 119 3.581 -6.814 9.308 1.00 0.00 H new ATOM 0 HB2 ARG A 119 2.531 -4.441 9.863 1.00 0.00 H new ATOM 0 HB3 ARG A 119 1.913 -4.538 8.225 1.00 0.00 H new ATOM 0 HG2 ARG A 119 0.683 -6.592 8.736 1.00 0.00 H new ATOM 0 HG3 ARG A 119 1.440 -6.715 10.313 1.00 0.00 H new ATOM 0 HD2 ARG A 119 0.438 -4.437 10.895 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -0.424 -4.478 9.370 1.00 0.00 H new ATOM 0 HE ARG A 119 -1.037 -6.903 10.663 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -1.629 -3.472 11.277 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -3.073 -3.821 12.234 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -2.847 -7.246 11.911 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -3.734 -5.871 12.578 1.00 0.00 H new ATOM 1594 N LEU A 120 3.634 -5.671 6.226 1.00 0.00 N ATOM 1595 CA LEU A 120 3.681 -6.031 4.802 1.00 0.00 C ATOM 1596 C LEU A 120 4.911 -6.924 4.510 1.00 0.00 C ATOM 1597 O LEU A 120 4.794 -7.939 3.825 1.00 0.00 O ATOM 1598 CB LEU A 120 3.686 -4.753 3.930 1.00 0.00 C ATOM 1599 CG LEU A 120 2.647 -3.675 4.312 1.00 0.00 C ATOM 1600 CD1 LEU A 120 2.779 -2.438 3.420 1.00 0.00 C ATOM 1601 CD2 LEU A 120 1.208 -4.190 4.263 1.00 0.00 C ATOM 0 H LEU A 120 3.826 -4.682 6.387 1.00 0.00 H new ATOM 0 HA LEU A 120 2.790 -6.606 4.550 1.00 0.00 H new ATOM 0 HB2 LEU A 120 4.679 -4.307 3.978 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.517 -5.043 2.893 1.00 0.00 H new ATOM 0 HG LEU A 120 2.866 -3.404 5.345 1.00 0.00 H new ATOM 0 HD11 LEU A 120 2.035 -1.697 3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.777 -2.014 3.532 1.00 0.00 H new ATOM 0 HD13 LEU A 120 2.619 -2.721 2.380 1.00 0.00 H new ATOM 0 HD21 LEU A 120 0.525 -3.388 4.541 1.00 0.00 H new ATOM 0 HD22 LEU A 120 0.977 -4.529 3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.095 -5.021 4.960 1.00 0.00 H new ATOM 1613 N GLN A 121 6.081 -6.587 5.077 1.00 0.00 N ATOM 1614 CA GLN A 121 7.317 -7.389 4.985 1.00 0.00 C ATOM 1615 C GLN A 121 7.158 -8.824 5.514 1.00 0.00 C ATOM 1616 O GLN A 121 7.638 -9.768 4.886 1.00 0.00 O ATOM 1617 CB GLN A 121 8.471 -6.699 5.741 1.00 0.00 C ATOM 1618 CG GLN A 121 9.181 -5.640 4.896 1.00 0.00 C ATOM 1619 CD GLN A 121 10.597 -5.333 5.380 1.00 0.00 C ATOM 1620 OE1 GLN A 121 10.842 -5.012 6.536 1.00 0.00 O ATOM 1621 NE2 GLN A 121 11.587 -5.414 4.513 1.00 0.00 N ATOM 0 H GLN A 121 6.199 -5.734 5.623 1.00 0.00 H new ATOM 0 HA GLN A 121 7.545 -7.457 3.921 1.00 0.00 H new ATOM 0 HB2 GLN A 121 8.080 -6.234 6.646 1.00 0.00 H new ATOM 0 HB3 GLN A 121 9.194 -7.451 6.056 1.00 0.00 H new ATOM 0 HG2 GLN A 121 9.223 -5.979 3.861 1.00 0.00 H new ATOM 0 HG3 GLN A 121 8.593 -4.722 4.907 1.00 0.00 H new ATOM 0 HE21 GLN A 121 11.398 -5.680 3.547 1.00 0.00 H new ATOM 0 HE22 GLN A 121 12.542 -5.211 4.809 1.00 0.00 H new ATOM 1630 N ALA A 122 6.488 -9.013 6.651 1.00 0.00 N ATOM 1631 CA ALA A 122 6.264 -10.333 7.239 1.00 0.00 C ATOM 1632 C ALA A 122 5.471 -11.259 6.301 1.00 0.00 C ATOM 1633 O ALA A 122 5.927 -12.359 5.995 1.00 0.00 O ATOM 1634 CB ALA A 122 5.580 -10.161 8.599 1.00 0.00 C ATOM 0 H ALA A 122 6.083 -8.250 7.193 1.00 0.00 H new ATOM 0 HA ALA A 122 7.226 -10.824 7.387 1.00 0.00 H new ATOM 0 HB1 ALA A 122 5.408 -11.140 9.046 1.00 0.00 H new ATOM 0 HB2 ALA A 122 6.218 -9.569 9.255 1.00 0.00 H new ATOM 0 HB3 ALA A 122 4.626 -9.651 8.465 1.00 0.00 H new ATOM 1640 N ALA A 123 4.326 -10.799 5.781 1.00 0.00 N ATOM 1641 CA ALA A 123 3.531 -11.535 4.793 1.00 0.00 C ATOM 1642 C ALA A 123 4.327 -11.892 3.516 1.00 0.00 C ATOM 1643 O ALA A 123 4.031 -12.895 2.863 1.00 0.00 O ATOM 1644 CB ALA A 123 2.260 -10.729 4.507 1.00 0.00 C ATOM 0 H ALA A 123 3.923 -9.898 6.037 1.00 0.00 H new ATOM 0 HA ALA A 123 3.254 -12.505 5.205 1.00 0.00 H new ATOM 0 HB1 ALA A 123 1.651 -11.258 3.773 1.00 0.00 H new ATOM 0 HB2 ALA A 123 1.692 -10.606 5.429 1.00 0.00 H new ATOM 0 HB3 ALA A 123 2.531 -9.749 4.115 1.00 0.00 H new ATOM 1650 N LEU A 124 5.361 -11.115 3.174 1.00 0.00 N ATOM 1651 CA LEU A 124 6.259 -11.400 2.056 1.00 0.00 C ATOM 1652 C LEU A 124 7.171 -12.595 2.384 1.00 0.00 C ATOM 1653 O LEU A 124 7.255 -13.548 1.608 1.00 0.00 O ATOM 1654 CB LEU A 124 7.071 -10.129 1.730 1.00 0.00 C ATOM 1655 CG LEU A 124 7.668 -10.107 0.317 1.00 0.00 C ATOM 1656 CD1 LEU A 124 6.551 -9.980 -0.714 1.00 0.00 C ATOM 1657 CD2 LEU A 124 8.628 -8.915 0.170 1.00 0.00 C ATOM 0 H LEU A 124 5.598 -10.259 3.675 1.00 0.00 H new ATOM 0 HA LEU A 124 5.679 -11.678 1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 124 6.427 -9.259 1.853 1.00 0.00 H new ATOM 0 HB3 LEU A 124 7.879 -10.032 2.455 1.00 0.00 H new ATOM 0 HG LEU A 124 8.215 -11.036 0.153 1.00 0.00 H new ATOM 0 HD11 LEU A 124 6.980 -9.965 -1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 124 5.873 -10.829 -0.623 1.00 0.00 H new ATOM 0 HD13 LEU A 124 6.000 -9.055 -0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 124 9.047 -8.907 -0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 124 8.084 -7.986 0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 124 9.434 -9.005 0.898 1.00 0.00 H new ATOM 1669 N ALA A 125 7.815 -12.572 3.558 1.00 0.00 N ATOM 1670 CA ALA A 125 8.652 -13.662 4.062 1.00 0.00 C ATOM 1671 C ALA A 125 7.875 -14.978 4.303 1.00 0.00 C ATOM 1672 O ALA A 125 8.432 -16.062 4.124 1.00 0.00 O ATOM 1673 CB ALA A 125 9.367 -13.182 5.330 1.00 0.00 C ATOM 0 H ALA A 125 7.766 -11.777 4.195 1.00 0.00 H new ATOM 0 HA ALA A 125 9.383 -13.911 3.293 1.00 0.00 H new ATOM 0 HB1 ALA A 125 9.995 -13.983 5.719 1.00 0.00 H new ATOM 0 HB2 ALA A 125 9.987 -12.317 5.093 1.00 0.00 H new ATOM 0 HB3 ALA A 125 8.628 -12.904 6.081 1.00 0.00 H new ATOM 1679 N GLU A 126 6.583 -14.904 4.645 1.00 0.00 N ATOM 1680 CA GLU A 126 5.697 -16.072 4.802 1.00 0.00 C ATOM 1681 C GLU A 126 5.640 -16.921 3.519 1.00 0.00 C ATOM 1682 O GLU A 126 5.850 -18.136 3.575 1.00 0.00 O ATOM 1683 CB GLU A 126 4.281 -15.627 5.211 1.00 0.00 C ATOM 1684 CG GLU A 126 4.180 -15.073 6.642 1.00 0.00 C ATOM 1685 CD GLU A 126 3.937 -16.176 7.691 1.00 0.00 C ATOM 1686 OE1 GLU A 126 4.806 -17.063 7.866 1.00 0.00 O ATOM 1687 OE2 GLU A 126 2.875 -16.153 8.362 1.00 0.00 O ATOM 0 H GLU A 126 6.112 -14.017 4.824 1.00 0.00 H new ATOM 0 HA GLU A 126 6.115 -16.694 5.594 1.00 0.00 H new ATOM 0 HB2 GLU A 126 3.937 -14.863 4.513 1.00 0.00 H new ATOM 0 HB3 GLU A 126 3.604 -16.476 5.114 1.00 0.00 H new ATOM 0 HG2 GLU A 126 5.099 -14.541 6.887 1.00 0.00 H new ATOM 0 HG3 GLU A 126 3.369 -14.347 6.690 1.00 0.00 H new ATOM 1694 N ARG A 127 5.391 -16.296 2.354 1.00 0.00 N ATOM 1695 CA ARG A 127 5.417 -16.987 1.048 1.00 0.00 C ATOM 1696 C ARG A 127 6.840 -17.231 0.541 1.00 0.00 C ATOM 1697 O ARG A 127 7.069 -18.243 -0.126 1.00 0.00 O ATOM 1698 CB ARG A 127 4.571 -16.246 -0.007 1.00 0.00 C ATOM 1699 CG ARG A 127 3.089 -16.658 0.028 1.00 0.00 C ATOM 1700 CD ARG A 127 2.276 -16.007 1.152 1.00 0.00 C ATOM 1701 NE ARG A 127 1.883 -14.630 0.803 1.00 0.00 N ATOM 1702 CZ ARG A 127 1.162 -13.806 1.538 1.00 0.00 C ATOM 1703 NH1 ARG A 127 0.848 -14.062 2.776 1.00 0.00 N ATOM 1704 NH2 ARG A 127 0.714 -12.708 1.012 1.00 0.00 N ATOM 0 H ARG A 127 5.167 -15.303 2.289 1.00 0.00 H new ATOM 0 HA ARG A 127 4.966 -17.966 1.211 1.00 0.00 H new ATOM 0 HB2 ARG A 127 4.650 -15.172 0.159 1.00 0.00 H new ATOM 0 HB3 ARG A 127 4.977 -16.446 -0.999 1.00 0.00 H new ATOM 0 HG2 ARG A 127 2.632 -16.404 -0.928 1.00 0.00 H new ATOM 0 HG3 ARG A 127 3.028 -17.741 0.133 1.00 0.00 H new ATOM 0 HD2 ARG A 127 1.385 -16.602 1.350 1.00 0.00 H new ATOM 0 HD3 ARG A 127 2.864 -15.998 2.070 1.00 0.00 H new ATOM 0 HE ARG A 127 2.201 -14.278 -0.100 1.00 0.00 H new ATOM 0 HH11 ARG A 127 1.162 -14.928 3.213 1.00 0.00 H new ATOM 0 HH12 ARG A 127 0.288 -13.396 3.308 1.00 0.00 H new ATOM 0 HH21 ARG A 127 0.920 -12.488 0.038 1.00 0.00 H new ATOM 0 HH22 ARG A 127 0.155 -12.065 1.573 1.00 0.00 H new ATOM 1718 N ARG A 128 7.817 -16.382 0.899 1.00 0.00 N ATOM 1719 CA ARG A 128 9.243 -16.573 0.561 1.00 0.00 C ATOM 1720 C ARG A 128 9.739 -17.973 0.917 1.00 0.00 C ATOM 1721 O ARG A 128 10.426 -18.573 0.098 1.00 0.00 O ATOM 1722 CB ARG A 128 10.129 -15.496 1.217 1.00 0.00 C ATOM 1723 CG ARG A 128 11.554 -15.507 0.640 1.00 0.00 C ATOM 1724 CD ARG A 128 12.499 -14.526 1.341 1.00 0.00 C ATOM 1725 NE ARG A 128 12.192 -13.116 1.032 1.00 0.00 N ATOM 1726 CZ ARG A 128 12.875 -12.062 1.445 1.00 0.00 C ATOM 1727 NH1 ARG A 128 13.899 -12.173 2.244 1.00 0.00 N ATOM 1728 NH2 ARG A 128 12.544 -10.864 1.059 1.00 0.00 N ATOM 0 H ARG A 128 7.640 -15.534 1.437 1.00 0.00 H new ATOM 0 HA ARG A 128 9.323 -16.465 -0.521 1.00 0.00 H new ATOM 0 HB2 ARG A 128 9.682 -14.514 1.065 1.00 0.00 H new ATOM 0 HB3 ARG A 128 10.170 -15.664 2.293 1.00 0.00 H new ATOM 0 HG2 ARG A 128 11.963 -16.514 0.719 1.00 0.00 H new ATOM 0 HG3 ARG A 128 11.511 -15.263 -0.422 1.00 0.00 H new ATOM 0 HD2 ARG A 128 12.439 -14.678 2.419 1.00 0.00 H new ATOM 0 HD3 ARG A 128 13.525 -14.743 1.045 1.00 0.00 H new ATOM 0 HE ARG A 128 11.377 -12.938 0.445 1.00 0.00 H new ATOM 0 HH11 ARG A 128 14.195 -13.093 2.569 1.00 0.00 H new ATOM 0 HH12 ARG A 128 14.405 -11.339 2.544 1.00 0.00 H new ATOM 0 HH21 ARG A 128 11.751 -10.731 0.432 1.00 0.00 H new ATOM 0 HH22 ARG A 128 13.078 -10.058 1.384 1.00 0.00 H new