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 Single : A 56 ASN : amide:sc= 0 X(o=0,f=0.093) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -0.0695 X(o=-0.069,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0.0111 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0.00078) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.0012) 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 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= -0.0367 X(o=-0.037,f=-0.038) USER MOD Single : A 114 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 574 N ASN A 56 -4.414 17.656 9.499 1.00 0.00 N ATOM 575 CA ASN A 56 -3.185 17.519 8.708 1.00 0.00 C ATOM 576 C ASN A 56 -2.578 16.104 8.776 1.00 0.00 C ATOM 577 O ASN A 56 -2.154 15.576 7.747 1.00 0.00 O ATOM 578 CB ASN A 56 -2.201 18.649 9.080 1.00 0.00 C ATOM 579 CG ASN A 56 -1.996 18.903 10.565 1.00 0.00 C ATOM 580 OD1 ASN A 56 -1.436 18.102 11.292 1.00 0.00 O ATOM 581 ND2 ASN A 56 -2.410 20.049 11.056 1.00 0.00 N ATOM 0 HA ASN A 56 -3.433 17.638 7.653 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.233 18.419 8.635 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.552 19.573 8.620 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.262 20.265 12.042 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.879 20.723 10.451 1.00 0.00 H new ATOM 588 N SER A 57 -2.599 15.437 9.934 1.00 0.00 N ATOM 589 CA SER A 57 -2.142 14.042 10.095 1.00 0.00 C ATOM 590 C SER A 57 -2.969 13.063 9.244 1.00 0.00 C ATOM 591 O SER A 57 -2.445 12.049 8.782 1.00 0.00 O ATOM 592 CB SER A 57 -2.207 13.612 11.566 1.00 0.00 C ATOM 593 OG SER A 57 -1.397 14.451 12.370 1.00 0.00 O ATOM 0 H SER A 57 -2.938 15.852 10.802 1.00 0.00 H new ATOM 0 HA SER A 57 -1.108 14.010 9.750 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.239 13.651 11.916 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.876 12.578 11.663 1.00 0.00 H new ATOM 0 HG SER A 57 -1.453 14.162 13.305 1.00 0.00 H new ATOM 599 N HIS A 58 -4.245 13.378 8.961 1.00 0.00 N ATOM 600 CA HIS A 58 -5.100 12.574 8.070 1.00 0.00 C ATOM 601 C HIS A 58 -4.519 12.459 6.656 1.00 0.00 C ATOM 602 O HIS A 58 -4.660 11.407 6.042 1.00 0.00 O ATOM 603 CB HIS A 58 -6.533 13.137 8.032 1.00 0.00 C ATOM 604 CG HIS A 58 -7.576 12.171 7.513 1.00 0.00 C ATOM 605 ND1 HIS A 58 -8.569 11.588 8.280 1.00 0.00 N ATOM 606 CD2 HIS A 58 -7.726 11.735 6.224 1.00 0.00 C ATOM 607 CE1 HIS A 58 -9.304 10.798 7.471 1.00 0.00 C ATOM 608 NE2 HIS A 58 -8.806 10.867 6.217 1.00 0.00 N ATOM 0 H HIS A 58 -4.713 14.199 9.344 1.00 0.00 H new ATOM 0 HA HIS A 58 -5.135 11.566 8.483 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -6.814 13.448 9.038 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -6.542 14.031 7.408 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -7.119 12.014 5.375 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -10.154 10.206 7.776 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -9.164 10.366 5.404 1.00 0.00 H new ATOM 617 N PHE A 59 -3.824 13.487 6.149 1.00 0.00 N ATOM 618 CA PHE A 59 -3.141 13.436 4.849 1.00 0.00 C ATOM 619 C PHE A 59 -2.137 12.279 4.801 1.00 0.00 C ATOM 620 O PHE A 59 -2.178 11.455 3.888 1.00 0.00 O ATOM 621 CB PHE A 59 -2.436 14.770 4.556 1.00 0.00 C ATOM 622 CG PHE A 59 -2.063 14.962 3.096 1.00 0.00 C ATOM 623 CD1 PHE A 59 -1.017 14.214 2.516 1.00 0.00 C ATOM 624 CD2 PHE A 59 -2.773 15.886 2.309 1.00 0.00 C ATOM 625 CE1 PHE A 59 -0.699 14.374 1.156 1.00 0.00 C ATOM 626 CE2 PHE A 59 -2.452 16.050 0.948 1.00 0.00 C ATOM 627 CZ PHE A 59 -1.419 15.291 0.370 1.00 0.00 C ATOM 0 H PHE A 59 -3.720 14.380 6.631 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.894 13.265 4.080 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.086 15.589 4.865 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.533 14.833 5.163 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.458 13.515 3.120 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.567 16.471 2.750 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.098 13.793 0.715 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.000 16.760 0.347 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.179 15.412 -0.676 1.00 0.00 H new ATOM 637 N PHE A 60 -1.264 12.198 5.812 1.00 0.00 N ATOM 638 CA PHE A 60 -0.311 11.102 5.976 1.00 0.00 C ATOM 639 C PHE A 60 -1.023 9.753 6.064 1.00 0.00 C ATOM 640 O PHE A 60 -0.731 8.871 5.264 1.00 0.00 O ATOM 641 CB PHE A 60 0.554 11.324 7.221 1.00 0.00 C ATOM 642 CG PHE A 60 1.369 10.099 7.600 1.00 0.00 C ATOM 643 CD1 PHE A 60 2.319 9.582 6.700 1.00 0.00 C ATOM 644 CD2 PHE A 60 1.111 9.416 8.806 1.00 0.00 C ATOM 645 CE1 PHE A 60 2.987 8.384 6.998 1.00 0.00 C ATOM 646 CE2 PHE A 60 1.794 8.224 9.108 1.00 0.00 C ATOM 647 CZ PHE A 60 2.724 7.703 8.195 1.00 0.00 C ATOM 0 H PHE A 60 -1.201 12.903 6.547 1.00 0.00 H new ATOM 0 HA PHE A 60 0.332 11.088 5.096 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.228 12.162 7.044 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.087 11.601 8.058 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.534 10.106 5.781 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.385 9.810 9.502 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.708 7.984 6.301 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.603 7.711 10.039 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.237 6.778 8.414 1.00 0.00 H new ATOM 657 N VAL A 61 -1.970 9.587 6.996 1.00 0.00 N ATOM 658 CA VAL A 61 -2.703 8.318 7.157 1.00 0.00 C ATOM 659 C VAL A 61 -3.371 7.892 5.844 1.00 0.00 C ATOM 660 O VAL A 61 -3.309 6.720 5.485 1.00 0.00 O ATOM 661 CB VAL A 61 -3.724 8.383 8.309 1.00 0.00 C ATOM 662 CG1 VAL A 61 -4.499 7.067 8.462 1.00 0.00 C ATOM 663 CG2 VAL A 61 -3.022 8.652 9.648 1.00 0.00 C ATOM 0 H VAL A 61 -2.249 10.316 7.653 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.970 7.556 7.422 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.411 9.192 8.059 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.208 7.156 9.285 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.039 6.853 7.540 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.801 6.256 8.670 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.764 8.693 10.446 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.312 7.851 9.854 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.491 9.603 9.596 1.00 0.00 H new ATOM 673 N ALA A 62 -3.942 8.835 5.089 1.00 0.00 N ATOM 674 CA ALA A 62 -4.558 8.588 3.783 1.00 0.00 C ATOM 675 C ALA A 62 -3.541 8.082 2.745 1.00 0.00 C ATOM 676 O ALA A 62 -3.699 6.985 2.202 1.00 0.00 O ATOM 677 CB ALA A 62 -5.270 9.864 3.309 1.00 0.00 C ATOM 0 H ALA A 62 -3.990 9.813 5.376 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.293 7.791 3.892 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.730 9.684 2.337 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.040 10.140 4.029 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.546 10.674 3.224 1.00 0.00 H new ATOM 683 N THR A 63 -2.494 8.868 2.464 1.00 0.00 N ATOM 684 CA THR A 63 -1.460 8.514 1.474 1.00 0.00 C ATOM 685 C THR A 63 -0.703 7.231 1.862 1.00 0.00 C ATOM 686 O THR A 63 -0.485 6.360 1.018 1.00 0.00 O ATOM 687 CB THR A 63 -0.542 9.719 1.184 1.00 0.00 C ATOM 688 OG1 THR A 63 0.191 9.508 -0.005 1.00 0.00 O ATOM 689 CG2 THR A 63 0.468 10.063 2.265 1.00 0.00 C ATOM 0 H THR A 63 -2.337 9.769 2.915 1.00 0.00 H new ATOM 0 HA THR A 63 -1.954 8.273 0.533 1.00 0.00 H new ATOM 0 HB THR A 63 -1.240 10.554 1.115 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.767 10.282 -0.176 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.057 10.925 1.952 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.056 10.299 3.191 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.129 9.212 2.429 1.00 0.00 H new ATOM 697 N PHE A 64 -0.393 7.045 3.152 1.00 0.00 N ATOM 698 CA PHE A 64 0.230 5.841 3.708 1.00 0.00 C ATOM 699 C PHE A 64 -0.674 4.618 3.520 1.00 0.00 C ATOM 700 O PHE A 64 -0.227 3.613 2.973 1.00 0.00 O ATOM 701 CB PHE A 64 0.563 6.062 5.194 1.00 0.00 C ATOM 702 CG PHE A 64 1.349 4.914 5.788 1.00 0.00 C ATOM 703 CD1 PHE A 64 0.683 3.747 6.205 1.00 0.00 C ATOM 704 CD2 PHE A 64 2.753 4.975 5.843 1.00 0.00 C ATOM 705 CE1 PHE A 64 1.422 2.622 6.596 1.00 0.00 C ATOM 706 CE2 PHE A 64 3.491 3.856 6.262 1.00 0.00 C ATOM 707 CZ PHE A 64 2.826 2.669 6.610 1.00 0.00 C ATOM 0 H PHE A 64 -0.577 7.755 3.861 1.00 0.00 H new ATOM 0 HA PHE A 64 1.158 5.647 3.170 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.135 6.984 5.302 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.362 6.193 5.755 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.396 3.718 6.224 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.265 5.884 5.563 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.911 1.716 6.887 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.568 3.908 6.317 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.393 1.793 6.888 1.00 0.00 H new ATOM 717 N ALA A 65 -1.943 4.687 3.942 1.00 0.00 N ATOM 718 CA ALA A 65 -2.899 3.588 3.809 1.00 0.00 C ATOM 719 C ALA A 65 -3.093 3.150 2.351 1.00 0.00 C ATOM 720 O ALA A 65 -3.077 1.953 2.064 1.00 0.00 O ATOM 721 CB ALA A 65 -4.234 3.977 4.449 1.00 0.00 C ATOM 0 H ALA A 65 -2.335 5.516 4.389 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.487 2.728 4.336 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.941 3.153 4.346 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.081 4.194 5.506 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.632 4.861 3.951 1.00 0.00 H new ATOM 727 N ARG A 66 -3.231 4.104 1.422 1.00 0.00 N ATOM 728 CA ARG A 66 -3.341 3.825 -0.017 1.00 0.00 C ATOM 729 C ARG A 66 -2.110 3.096 -0.567 1.00 0.00 C ATOM 730 O ARG A 66 -2.255 2.148 -1.338 1.00 0.00 O ATOM 731 CB ARG A 66 -3.631 5.140 -0.755 1.00 0.00 C ATOM 732 CG ARG A 66 -4.019 4.898 -2.223 1.00 0.00 C ATOM 733 CD ARG A 66 -4.563 6.166 -2.898 1.00 0.00 C ATOM 734 NE ARG A 66 -5.818 6.643 -2.277 1.00 0.00 N ATOM 735 CZ ARG A 66 -7.039 6.157 -2.424 1.00 0.00 C ATOM 736 NH1 ARG A 66 -7.301 5.160 -3.223 1.00 0.00 N ATOM 737 NH2 ARG A 66 -8.034 6.666 -1.757 1.00 0.00 N ATOM 0 H ARG A 66 -3.270 5.098 1.648 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.171 3.138 -0.185 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.437 5.671 -0.249 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.751 5.782 -0.713 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.148 4.541 -2.773 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.772 4.111 -2.273 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -3.812 6.954 -2.843 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -4.738 5.965 -3.955 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.731 7.448 -1.657 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.551 4.727 -3.761 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.256 4.813 -3.309 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.874 7.444 -1.117 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.974 6.287 -1.874 1.00 0.00 H new ATOM 751 N GLU A 67 -0.909 3.492 -0.142 1.00 0.00 N ATOM 752 CA GLU A 67 0.344 2.824 -0.498 1.00 0.00 C ATOM 753 C GLU A 67 0.435 1.422 0.123 1.00 0.00 C ATOM 754 O GLU A 67 0.559 0.444 -0.617 1.00 0.00 O ATOM 755 CB GLU A 67 1.538 3.696 -0.083 1.00 0.00 C ATOM 756 CG GLU A 67 1.816 4.868 -1.034 1.00 0.00 C ATOM 757 CD GLU A 67 2.183 4.407 -2.460 1.00 0.00 C ATOM 758 OE1 GLU A 67 3.167 3.647 -2.626 1.00 0.00 O ATOM 759 OE2 GLU A 67 1.493 4.808 -3.428 1.00 0.00 O ATOM 0 H GLU A 67 -0.778 4.298 0.469 1.00 0.00 H new ATOM 0 HA GLU A 67 0.367 2.693 -1.580 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.357 4.089 0.918 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.429 3.070 -0.024 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.936 5.509 -1.080 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.630 5.471 -0.631 1.00 0.00 H new ATOM 766 N ARG A 68 0.342 1.289 1.459 1.00 0.00 N ATOM 767 CA ARG A 68 0.476 -0.008 2.157 1.00 0.00 C ATOM 768 C ARG A 68 -0.515 -1.053 1.647 1.00 0.00 C ATOM 769 O ARG A 68 -0.140 -2.210 1.481 1.00 0.00 O ATOM 770 CB ARG A 68 0.436 0.137 3.698 1.00 0.00 C ATOM 771 CG ARG A 68 -0.878 0.624 4.317 1.00 0.00 C ATOM 772 CD ARG A 68 -1.352 -0.203 5.517 1.00 0.00 C ATOM 773 NE ARG A 68 -2.746 0.147 5.852 1.00 0.00 N ATOM 774 CZ ARG A 68 -3.437 -0.160 6.934 1.00 0.00 C ATOM 775 NH1 ARG A 68 -2.913 -0.813 7.931 1.00 0.00 N ATOM 776 NH2 ARG A 68 -4.689 0.188 7.035 1.00 0.00 N ATOM 0 H ARG A 68 0.172 2.075 2.086 1.00 0.00 H new ATOM 0 HA ARG A 68 1.470 -0.381 1.911 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.678 -0.831 4.136 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.226 0.827 3.994 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.757 1.661 4.630 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.654 0.611 3.552 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.280 -1.266 5.288 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.706 -0.018 6.375 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.242 0.701 5.154 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.937 -1.105 7.892 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.479 -1.032 8.751 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.139 0.700 6.276 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.219 -0.051 7.873 1.00 0.00 H new ATOM 790 N ALA A 69 -1.745 -0.641 1.338 1.00 0.00 N ATOM 791 CA ALA A 69 -2.800 -1.512 0.820 1.00 0.00 C ATOM 792 C ALA A 69 -2.444 -2.129 -0.543 1.00 0.00 C ATOM 793 O ALA A 69 -2.647 -3.327 -0.741 1.00 0.00 O ATOM 794 CB ALA A 69 -4.105 -0.713 0.733 1.00 0.00 C ATOM 0 H ALA A 69 -2.042 0.329 1.443 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.918 -2.349 1.509 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.899 -1.353 0.348 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.378 -0.353 1.725 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.968 0.137 0.064 1.00 0.00 H new ATOM 800 N ALA A 70 -1.879 -1.345 -1.471 1.00 0.00 N ATOM 801 CA ALA A 70 -1.418 -1.848 -2.766 1.00 0.00 C ATOM 802 C ALA A 70 -0.333 -2.930 -2.608 1.00 0.00 C ATOM 803 O ALA A 70 -0.401 -3.969 -3.265 1.00 0.00 O ATOM 804 CB ALA A 70 -0.922 -0.668 -3.614 1.00 0.00 C ATOM 0 H ALA A 70 -1.730 -0.344 -1.342 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.253 -2.328 -3.276 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.577 -1.034 -4.581 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.737 0.040 -3.764 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.100 -0.171 -3.100 1.00 0.00 H new ATOM 810 N VAL A 71 0.635 -2.720 -1.706 1.00 0.00 N ATOM 811 CA VAL A 71 1.671 -3.720 -1.380 1.00 0.00 C ATOM 812 C VAL A 71 1.061 -4.973 -0.747 1.00 0.00 C ATOM 813 O VAL A 71 1.379 -6.086 -1.159 1.00 0.00 O ATOM 814 CB VAL A 71 2.753 -3.154 -0.443 1.00 0.00 C ATOM 815 CG1 VAL A 71 3.950 -4.109 -0.355 1.00 0.00 C ATOM 816 CG2 VAL A 71 3.263 -1.791 -0.917 1.00 0.00 C ATOM 0 H VAL A 71 0.725 -1.852 -1.179 1.00 0.00 H new ATOM 0 HA VAL A 71 2.140 -3.987 -2.327 1.00 0.00 H new ATOM 0 HB VAL A 71 2.286 -3.041 0.536 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.702 -3.689 0.312 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.619 -5.073 0.032 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.381 -4.245 -1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.025 -1.428 -0.227 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.693 -1.890 -1.914 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.435 -1.083 -0.948 1.00 0.00 H new ATOM 826 N GLU A 72 0.160 -4.804 0.226 1.00 0.00 N ATOM 827 CA GLU A 72 -0.542 -5.903 0.897 1.00 0.00 C ATOM 828 C GLU A 72 -1.372 -6.759 -0.083 1.00 0.00 C ATOM 829 O GLU A 72 -1.454 -7.977 0.060 1.00 0.00 O ATOM 830 CB GLU A 72 -1.447 -5.351 2.014 1.00 0.00 C ATOM 831 CG GLU A 72 -1.407 -6.231 3.269 1.00 0.00 C ATOM 832 CD GLU A 72 -2.690 -6.084 4.111 1.00 0.00 C ATOM 833 OE1 GLU A 72 -3.768 -6.559 3.674 1.00 0.00 O ATOM 834 OE2 GLU A 72 -2.630 -5.511 5.226 1.00 0.00 O ATOM 0 H GLU A 72 -0.107 -3.884 0.576 1.00 0.00 H new ATOM 0 HA GLU A 72 0.219 -6.554 1.329 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.132 -4.339 2.270 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.472 -5.283 1.650 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.280 -7.274 2.978 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.542 -5.962 3.875 1.00 0.00 H new ATOM 841 N GLU A 73 -1.965 -6.140 -1.108 1.00 0.00 N ATOM 842 CA GLU A 73 -2.695 -6.834 -2.174 1.00 0.00 C ATOM 843 C GLU A 73 -1.759 -7.550 -3.171 1.00 0.00 C ATOM 844 O GLU A 73 -2.096 -8.623 -3.679 1.00 0.00 O ATOM 845 CB GLU A 73 -3.620 -5.834 -2.888 1.00 0.00 C ATOM 846 CG GLU A 73 -4.757 -6.548 -3.631 1.00 0.00 C ATOM 847 CD GLU A 73 -5.833 -5.550 -4.096 1.00 0.00 C ATOM 848 OE1 GLU A 73 -5.599 -4.809 -5.083 1.00 0.00 O ATOM 849 OE2 GLU A 73 -6.931 -5.506 -3.486 1.00 0.00 O ATOM 0 H GLU A 73 -1.951 -5.127 -1.223 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.295 -7.621 -1.717 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -4.040 -5.141 -2.159 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.039 -5.240 -3.594 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.354 -7.080 -4.493 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.208 -7.295 -2.978 1.00 0.00 H new ATOM 856 N LEU A 74 -0.556 -7.008 -3.409 1.00 0.00 N ATOM 857 CA LEU A 74 0.478 -7.627 -4.251 1.00 0.00 C ATOM 858 C LEU A 74 0.914 -9.004 -3.709 1.00 0.00 C ATOM 859 O LEU A 74 1.277 -9.875 -4.489 1.00 0.00 O ATOM 860 CB LEU A 74 1.680 -6.663 -4.414 1.00 0.00 C ATOM 861 CG LEU A 74 2.296 -6.620 -5.830 1.00 0.00 C ATOM 862 CD1 LEU A 74 3.345 -5.507 -5.908 1.00 0.00 C ATOM 863 CD2 LEU A 74 2.968 -7.925 -6.261 1.00 0.00 C ATOM 0 H LEU A 74 -0.269 -6.112 -3.015 1.00 0.00 H new ATOM 0 HA LEU A 74 0.050 -7.808 -5.237 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.359 -5.657 -4.143 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.456 -6.951 -3.705 1.00 0.00 H new ATOM 0 HG LEU A 74 1.458 -6.442 -6.504 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.775 -5.482 -6.909 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.875 -4.548 -5.691 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.133 -5.698 -5.179 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.374 -7.810 -7.266 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.775 -8.165 -5.569 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.234 -8.731 -6.256 1.00 0.00 H new ATOM 875 N LEU A 75 0.809 -9.248 -2.396 1.00 0.00 N ATOM 876 CA LEU A 75 1.150 -10.527 -1.753 1.00 0.00 C ATOM 877 C LEU A 75 0.421 -11.734 -2.378 1.00 0.00 C ATOM 878 O LEU A 75 1.040 -12.765 -2.639 1.00 0.00 O ATOM 879 CB LEU A 75 0.849 -10.463 -0.243 1.00 0.00 C ATOM 880 CG LEU A 75 1.508 -9.304 0.526 1.00 0.00 C ATOM 881 CD1 LEU A 75 1.055 -9.341 1.981 1.00 0.00 C ATOM 882 CD2 LEU A 75 3.032 -9.380 0.500 1.00 0.00 C ATOM 0 H LEU A 75 0.477 -8.546 -1.735 1.00 0.00 H new ATOM 0 HA LEU A 75 2.217 -10.679 -1.916 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.231 -10.394 -0.110 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.167 -11.402 0.211 1.00 0.00 H new ATOM 0 HG LEU A 75 1.202 -8.379 0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.520 -8.521 2.528 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.029 -9.239 2.027 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.349 -10.290 2.430 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.448 -8.540 1.056 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.358 -10.315 0.957 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.381 -9.340 -0.532 1.00 0.00 H new ATOM 894 N GLU A 76 -0.885 -11.614 -2.640 1.00 0.00 N ATOM 895 CA GLU A 76 -1.692 -12.640 -3.316 1.00 0.00 C ATOM 896 C GLU A 76 -1.413 -12.722 -4.827 1.00 0.00 C ATOM 897 O GLU A 76 -1.441 -13.811 -5.407 1.00 0.00 O ATOM 898 CB GLU A 76 -3.182 -12.338 -3.077 1.00 0.00 C ATOM 899 CG GLU A 76 -3.716 -12.966 -1.783 1.00 0.00 C ATOM 900 CD GLU A 76 -3.895 -14.491 -1.920 1.00 0.00 C ATOM 901 OE1 GLU A 76 -4.940 -14.939 -2.454 1.00 0.00 O ATOM 902 OE2 GLU A 76 -2.998 -15.254 -1.487 1.00 0.00 O ATOM 0 H GLU A 76 -1.423 -10.786 -2.384 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.418 -13.607 -2.894 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.328 -11.258 -3.038 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.763 -12.708 -3.922 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.029 -12.753 -0.964 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.671 -12.509 -1.524 1.00 0.00 H new ATOM 909 N ARG A 77 -1.122 -11.584 -5.470 1.00 0.00 N ATOM 910 CA ARG A 77 -0.751 -11.484 -6.895 1.00 0.00 C ATOM 911 C ARG A 77 0.699 -11.900 -7.196 1.00 0.00 C ATOM 912 O ARG A 77 1.047 -12.074 -8.361 1.00 0.00 O ATOM 913 CB ARG A 77 -1.076 -10.062 -7.395 1.00 0.00 C ATOM 914 CG ARG A 77 -2.558 -9.967 -7.801 1.00 0.00 C ATOM 915 CD ARG A 77 -3.027 -8.522 -8.041 1.00 0.00 C ATOM 916 NE ARG A 77 -3.606 -8.334 -9.388 1.00 0.00 N ATOM 917 CZ ARG A 77 -2.977 -8.008 -10.504 1.00 0.00 C ATOM 918 NH1 ARG A 77 -1.686 -7.836 -10.548 1.00 0.00 N ATOM 919 NH2 ARG A 77 -3.638 -7.843 -11.614 1.00 0.00 N ATOM 0 H ARG A 77 -1.138 -10.678 -5.002 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.348 -12.209 -7.448 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.858 -9.335 -6.613 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.442 -9.814 -8.246 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -2.718 -10.550 -8.708 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.172 -10.417 -7.021 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -3.769 -8.254 -7.289 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -2.184 -7.843 -7.913 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.614 -8.473 -9.466 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.127 -7.953 -9.703 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -1.235 -7.585 -11.428 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -4.651 -7.965 -11.628 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -3.143 -7.591 -12.470 1.00 0.00 H new ATOM 933 N ALA A 78 1.533 -12.120 -6.182 1.00 0.00 N ATOM 934 CA ALA A 78 2.924 -12.549 -6.310 1.00 0.00 C ATOM 935 C ALA A 78 3.063 -14.085 -6.394 1.00 0.00 C ATOM 936 O ALA A 78 3.604 -14.732 -5.497 1.00 0.00 O ATOM 937 CB ALA A 78 3.738 -11.932 -5.164 1.00 0.00 C ATOM 0 H ALA A 78 1.247 -12.000 -5.210 1.00 0.00 H new ATOM 0 HA ALA A 78 3.326 -12.186 -7.256 1.00 0.00 H new ATOM 0 HB1 ALA A 78 4.779 -12.244 -5.248 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.680 -10.845 -5.220 1.00 0.00 H new ATOM 0 HB3 ALA A 78 3.334 -12.268 -4.209 1.00 0.00 H new ATOM 943 N GLU A 79 2.585 -14.690 -7.489 1.00 0.00 N ATOM 944 CA GLU A 79 2.746 -16.136 -7.748 1.00 0.00 C ATOM 945 C GLU A 79 4.197 -16.496 -8.156 1.00 0.00 C ATOM 946 O GLU A 79 4.570 -17.668 -8.230 1.00 0.00 O ATOM 947 CB GLU A 79 1.758 -16.565 -8.847 1.00 0.00 C ATOM 948 CG GLU A 79 1.411 -18.059 -8.777 1.00 0.00 C ATOM 949 CD GLU A 79 0.598 -18.520 -10.002 1.00 0.00 C ATOM 950 OE1 GLU A 79 1.153 -18.559 -11.128 1.00 0.00 O ATOM 951 OE2 GLU A 79 -0.598 -18.869 -9.847 1.00 0.00 O ATOM 0 H GLU A 79 2.076 -14.196 -8.222 1.00 0.00 H new ATOM 0 HA GLU A 79 2.533 -16.674 -6.824 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.844 -15.979 -8.758 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.186 -16.340 -9.824 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.330 -18.642 -8.711 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.842 -18.257 -7.869 1.00 0.00 H new ATOM 958 N SER A 80 5.025 -15.481 -8.420 1.00 0.00 N ATOM 959 CA SER A 80 6.406 -15.564 -8.901 1.00 0.00 C ATOM 960 C SER A 80 7.326 -14.605 -8.138 1.00 0.00 C ATOM 961 O SER A 80 6.909 -13.529 -7.696 1.00 0.00 O ATOM 962 CB SER A 80 6.433 -15.262 -10.407 1.00 0.00 C ATOM 963 OG SER A 80 5.747 -14.051 -10.719 1.00 0.00 O ATOM 0 H SER A 80 4.727 -14.514 -8.294 1.00 0.00 H new ATOM 0 HA SER A 80 6.779 -16.573 -8.724 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.467 -15.191 -10.744 1.00 0.00 H new ATOM 0 HB3 SER A 80 5.976 -16.089 -10.951 1.00 0.00 H new ATOM 0 HG SER A 80 5.787 -13.892 -11.685 1.00 0.00 H new ATOM 969 N VAL A 81 8.607 -14.977 -8.006 1.00 0.00 N ATOM 970 CA VAL A 81 9.640 -14.174 -7.318 1.00 0.00 C ATOM 971 C VAL A 81 9.777 -12.782 -7.944 1.00 0.00 C ATOM 972 O VAL A 81 9.927 -11.795 -7.230 1.00 0.00 O ATOM 973 CB VAL A 81 11.005 -14.896 -7.315 1.00 0.00 C ATOM 974 CG1 VAL A 81 12.073 -14.088 -6.565 1.00 0.00 C ATOM 975 CG2 VAL A 81 10.906 -16.265 -6.626 1.00 0.00 C ATOM 0 H VAL A 81 8.965 -15.857 -8.378 1.00 0.00 H new ATOM 0 HA VAL A 81 9.315 -14.053 -6.285 1.00 0.00 H new ATOM 0 HB VAL A 81 11.288 -15.011 -8.361 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.019 -14.629 -6.585 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.199 -13.118 -7.046 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.760 -13.943 -5.531 1.00 0.00 H new ATOM 0 HG21 VAL A 81 11.882 -16.750 -6.639 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.581 -16.130 -5.594 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.184 -16.887 -7.155 1.00 0.00 H new ATOM 985 N GLU A 82 9.655 -12.682 -9.269 1.00 0.00 N ATOM 986 CA GLU A 82 9.730 -11.430 -10.042 1.00 0.00 C ATOM 987 C GLU A 82 8.659 -10.394 -9.645 1.00 0.00 C ATOM 988 O GLU A 82 8.887 -9.192 -9.794 1.00 0.00 O ATOM 989 CB GLU A 82 9.633 -11.742 -11.547 1.00 0.00 C ATOM 990 CG GLU A 82 10.949 -12.259 -12.153 1.00 0.00 C ATOM 991 CD GLU A 82 11.456 -13.575 -11.527 1.00 0.00 C ATOM 992 OE1 GLU A 82 10.659 -14.533 -11.380 1.00 0.00 O ATOM 993 OE2 GLU A 82 12.661 -13.654 -11.180 1.00 0.00 O ATOM 0 H GLU A 82 9.495 -13.498 -9.860 1.00 0.00 H new ATOM 0 HA GLU A 82 10.693 -10.976 -9.809 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.852 -12.486 -11.706 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.327 -10.840 -12.078 1.00 0.00 H new ATOM 0 HG2 GLU A 82 10.810 -12.408 -13.224 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.716 -11.494 -12.035 1.00 0.00 H new ATOM 1000 N ARG A 83 7.504 -10.837 -9.124 1.00 0.00 N ATOM 1001 CA ARG A 83 6.436 -9.961 -8.604 1.00 0.00 C ATOM 1002 C ARG A 83 6.581 -9.733 -7.096 1.00 0.00 C ATOM 1003 O ARG A 83 6.320 -8.634 -6.607 1.00 0.00 O ATOM 1004 CB ARG A 83 5.057 -10.537 -8.969 1.00 0.00 C ATOM 1005 CG ARG A 83 4.808 -10.416 -10.482 1.00 0.00 C ATOM 1006 CD ARG A 83 3.356 -10.691 -10.883 1.00 0.00 C ATOM 1007 NE ARG A 83 3.038 -12.131 -10.906 1.00 0.00 N ATOM 1008 CZ ARG A 83 1.871 -12.659 -11.235 1.00 0.00 C ATOM 1009 NH1 ARG A 83 0.845 -11.927 -11.567 1.00 0.00 N ATOM 1010 NH2 ARG A 83 1.711 -13.948 -11.254 1.00 0.00 N ATOM 0 H ARG A 83 7.280 -11.829 -9.050 1.00 0.00 H new ATOM 0 HA ARG A 83 6.529 -8.983 -9.075 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.002 -11.583 -8.668 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.278 -10.006 -8.422 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.084 -9.414 -10.809 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.461 -11.114 -11.007 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.688 -10.186 -10.185 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.168 -10.265 -11.869 1.00 0.00 H new ATOM 0 HE ARG A 83 3.784 -12.776 -10.645 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.926 -10.910 -11.579 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.039 -12.371 -11.815 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.489 -14.562 -11.014 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.807 -14.346 -11.509 1.00 0.00 H new ATOM 1024 N LEU A 84 7.061 -10.743 -6.369 1.00 0.00 N ATOM 1025 CA LEU A 84 7.332 -10.695 -4.932 1.00 0.00 C ATOM 1026 C LEU A 84 8.437 -9.689 -4.564 1.00 0.00 C ATOM 1027 O LEU A 84 8.275 -8.885 -3.647 1.00 0.00 O ATOM 1028 CB LEU A 84 7.731 -12.107 -4.484 1.00 0.00 C ATOM 1029 CG LEU A 84 7.670 -12.256 -2.960 1.00 0.00 C ATOM 1030 CD1 LEU A 84 6.247 -12.561 -2.493 1.00 0.00 C ATOM 1031 CD2 LEU A 84 8.603 -13.372 -2.517 1.00 0.00 C ATOM 0 H LEU A 84 7.280 -11.650 -6.780 1.00 0.00 H new ATOM 0 HA LEU A 84 6.432 -10.355 -4.420 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.068 -12.837 -4.948 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.740 -12.327 -4.831 1.00 0.00 H new ATOM 0 HG LEU A 84 7.983 -11.313 -2.512 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.234 -12.662 -1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.584 -11.748 -2.790 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.906 -13.491 -2.948 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.557 -13.476 -1.433 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.298 -14.308 -2.984 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.624 -13.133 -2.816 1.00 0.00 H new ATOM 1043 N GLU A 85 9.571 -9.735 -5.263 1.00 0.00 N ATOM 1044 CA GLU A 85 10.731 -8.871 -5.008 1.00 0.00 C ATOM 1045 C GLU A 85 10.408 -7.381 -5.200 1.00 0.00 C ATOM 1046 O GLU A 85 10.900 -6.521 -4.469 1.00 0.00 O ATOM 1047 CB GLU A 85 11.914 -9.341 -5.868 1.00 0.00 C ATOM 1048 CG GLU A 85 11.829 -9.091 -7.385 1.00 0.00 C ATOM 1049 CD GLU A 85 12.393 -7.719 -7.822 1.00 0.00 C ATOM 1050 OE1 GLU A 85 13.534 -7.366 -7.435 1.00 0.00 O ATOM 1051 OE2 GLU A 85 11.726 -7.002 -8.604 1.00 0.00 O ATOM 0 H GLU A 85 9.715 -10.384 -6.037 1.00 0.00 H new ATOM 0 HA GLU A 85 11.012 -8.963 -3.959 1.00 0.00 H new ATOM 0 HB2 GLU A 85 12.816 -8.854 -5.496 1.00 0.00 H new ATOM 0 HB3 GLU A 85 12.042 -10.412 -5.709 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.373 -9.880 -7.905 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.787 -9.162 -7.698 1.00 0.00 H new ATOM 1058 N GLU A 86 9.517 -7.086 -6.145 1.00 0.00 N ATOM 1059 CA GLU A 86 9.003 -5.738 -6.403 1.00 0.00 C ATOM 1060 C GLU A 86 8.184 -5.207 -5.210 1.00 0.00 C ATOM 1061 O GLU A 86 8.370 -4.061 -4.799 1.00 0.00 O ATOM 1062 CB GLU A 86 8.198 -5.726 -7.714 1.00 0.00 C ATOM 1063 CG GLU A 86 8.102 -4.308 -8.291 1.00 0.00 C ATOM 1064 CD GLU A 86 7.425 -4.305 -9.676 1.00 0.00 C ATOM 1065 OE1 GLU A 86 8.115 -4.538 -10.699 1.00 0.00 O ATOM 1066 OE2 GLU A 86 6.201 -4.036 -9.753 1.00 0.00 O ATOM 0 H GLU A 86 9.122 -7.791 -6.767 1.00 0.00 H new ATOM 0 HA GLU A 86 9.847 -5.058 -6.520 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.671 -6.386 -8.441 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.197 -6.117 -7.533 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.537 -3.674 -7.608 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.101 -3.879 -8.372 1.00 0.00 H new ATOM 1073 N ALA A 87 7.342 -6.047 -4.589 1.00 0.00 N ATOM 1074 CA ALA A 87 6.583 -5.705 -3.379 1.00 0.00 C ATOM 1075 C ALA A 87 7.500 -5.271 -2.217 1.00 0.00 C ATOM 1076 O ALA A 87 7.179 -4.329 -1.487 1.00 0.00 O ATOM 1077 CB ALA A 87 5.692 -6.892 -2.979 1.00 0.00 C ATOM 0 H ALA A 87 7.168 -6.996 -4.919 1.00 0.00 H new ATOM 0 HA ALA A 87 5.952 -4.845 -3.604 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.129 -6.638 -2.081 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.999 -7.117 -3.790 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.315 -7.764 -2.782 1.00 0.00 H new ATOM 1083 N ALA A 88 8.673 -5.904 -2.074 1.00 0.00 N ATOM 1084 CA ALA A 88 9.672 -5.511 -1.077 1.00 0.00 C ATOM 1085 C ALA A 88 10.199 -4.083 -1.312 1.00 0.00 C ATOM 1086 O ALA A 88 10.413 -3.326 -0.369 1.00 0.00 O ATOM 1087 CB ALA A 88 10.827 -6.520 -1.055 1.00 0.00 C ATOM 0 H ALA A 88 8.953 -6.701 -2.646 1.00 0.00 H new ATOM 0 HA ALA A 88 9.181 -5.512 -0.104 1.00 0.00 H new ATOM 0 HB1 ALA A 88 11.562 -6.216 -0.310 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.442 -7.508 -0.803 1.00 0.00 H new ATOM 0 HB3 ALA A 88 11.299 -6.554 -2.037 1.00 0.00 H new ATOM 1093 N SER A 89 10.354 -3.669 -2.569 1.00 0.00 N ATOM 1094 CA SER A 89 10.781 -2.308 -2.915 1.00 0.00 C ATOM 1095 C SER A 89 9.688 -1.284 -2.600 1.00 0.00 C ATOM 1096 O SER A 89 9.975 -0.225 -2.035 1.00 0.00 O ATOM 1097 CB SER A 89 11.183 -2.251 -4.392 1.00 0.00 C ATOM 1098 OG SER A 89 11.742 -0.990 -4.713 1.00 0.00 O ATOM 0 H SER A 89 10.188 -4.266 -3.379 1.00 0.00 H new ATOM 0 HA SER A 89 11.647 -2.050 -2.305 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.904 -3.039 -4.608 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.311 -2.437 -5.018 1.00 0.00 H new ATOM 0 HG SER A 89 11.993 -0.975 -5.660 1.00 0.00 H new ATOM 1104 N ARG A 90 8.414 -1.617 -2.867 1.00 0.00 N ATOM 1105 CA ARG A 90 7.270 -0.760 -2.508 1.00 0.00 C ATOM 1106 C ARG A 90 7.211 -0.487 -0.999 1.00 0.00 C ATOM 1107 O ARG A 90 7.082 0.670 -0.595 1.00 0.00 O ATOM 1108 CB ARG A 90 5.942 -1.362 -2.995 1.00 0.00 C ATOM 1109 CG ARG A 90 5.809 -1.656 -4.496 1.00 0.00 C ATOM 1110 CD ARG A 90 6.114 -0.438 -5.372 1.00 0.00 C ATOM 1111 NE ARG A 90 5.771 -0.693 -6.785 1.00 0.00 N ATOM 1112 CZ ARG A 90 5.862 0.161 -7.788 1.00 0.00 C ATOM 1113 NH1 ARG A 90 6.325 1.370 -7.627 1.00 0.00 N ATOM 1114 NH2 ARG A 90 5.482 -0.183 -8.983 1.00 0.00 N ATOM 0 H ARG A 90 8.148 -2.483 -3.335 1.00 0.00 H new ATOM 0 HA ARG A 90 7.421 0.193 -3.015 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.775 -2.293 -2.453 1.00 0.00 H new ATOM 0 HB3 ARG A 90 5.139 -0.681 -2.713 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.486 -2.468 -4.763 1.00 0.00 H new ATOM 0 HG3 ARG A 90 4.797 -2.003 -4.705 1.00 0.00 H new ATOM 0 HD2 ARG A 90 5.553 0.423 -5.009 1.00 0.00 H new ATOM 0 HD3 ARG A 90 7.171 -0.186 -5.292 1.00 0.00 H new ATOM 0 HE ARG A 90 5.428 -1.627 -7.010 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.630 1.681 -6.705 1.00 0.00 H new ATOM 0 HH12 ARG A 90 6.382 2.005 -8.424 1.00 0.00 H new ATOM 0 HH21 ARG A 90 5.111 -1.118 -9.151 1.00 0.00 H new ATOM 0 HH22 ARG A 90 5.555 0.482 -9.753 1.00 0.00 H new ATOM 1128 N LEU A 91 7.349 -1.526 -0.166 1.00 0.00 N ATOM 1129 CA LEU A 91 7.382 -1.384 1.298 1.00 0.00 C ATOM 1130 C LEU A 91 8.604 -0.579 1.777 1.00 0.00 C ATOM 1131 O LEU A 91 8.473 0.256 2.667 1.00 0.00 O ATOM 1132 CB LEU A 91 7.200 -2.761 1.977 1.00 0.00 C ATOM 1133 CG LEU A 91 8.455 -3.549 2.400 1.00 0.00 C ATOM 1134 CD1 LEU A 91 8.990 -3.137 3.775 1.00 0.00 C ATOM 1135 CD2 LEU A 91 8.130 -5.042 2.454 1.00 0.00 C ATOM 0 H LEU A 91 7.441 -2.490 -0.487 1.00 0.00 H new ATOM 0 HA LEU A 91 6.532 -0.780 1.616 1.00 0.00 H new ATOM 0 HB2 LEU A 91 6.588 -2.613 2.866 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.627 -3.392 1.297 1.00 0.00 H new ATOM 0 HG LEU A 91 9.220 -3.327 1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.874 -3.729 4.014 1.00 0.00 H new ATOM 0 HD12 LEU A 91 9.254 -2.080 3.761 1.00 0.00 H new ATOM 0 HD13 LEU A 91 8.223 -3.309 4.530 1.00 0.00 H new ATOM 0 HD21 LEU A 91 9.019 -5.597 2.753 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.333 -5.215 3.178 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.806 -5.380 1.470 1.00 0.00 H new ATOM 1147 N GLN A 92 9.780 -0.770 1.166 1.00 0.00 N ATOM 1148 CA GLN A 92 10.987 0.017 1.467 1.00 0.00 C ATOM 1149 C GLN A 92 10.809 1.515 1.158 1.00 0.00 C ATOM 1150 O GLN A 92 11.296 2.374 1.893 1.00 0.00 O ATOM 1151 CB GLN A 92 12.192 -0.569 0.710 1.00 0.00 C ATOM 1152 CG GLN A 92 12.724 -1.843 1.382 1.00 0.00 C ATOM 1153 CD GLN A 92 13.878 -2.466 0.598 1.00 0.00 C ATOM 1154 OE1 GLN A 92 13.711 -3.361 -0.220 1.00 0.00 O ATOM 1155 NE2 GLN A 92 15.100 -2.025 0.815 1.00 0.00 N ATOM 0 H GLN A 92 9.924 -1.477 0.445 1.00 0.00 H new ATOM 0 HA GLN A 92 11.169 -0.052 2.539 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.902 -0.794 -0.316 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.987 0.175 0.661 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.058 -1.607 2.392 1.00 0.00 H new ATOM 0 HG3 GLN A 92 11.916 -2.568 1.475 1.00 0.00 H new ATOM 0 HE21 GLN A 92 15.260 -1.280 1.493 1.00 0.00 H new ATOM 0 HE22 GLN A 92 15.886 -2.429 0.305 1.00 0.00 H new ATOM 1164 N GLY A 93 10.057 1.833 0.104 1.00 0.00 N ATOM 1165 CA GLY A 93 9.716 3.197 -0.315 1.00 0.00 C ATOM 1166 C GLY A 93 8.778 3.932 0.652 1.00 0.00 C ATOM 1167 O GLY A 93 8.886 5.150 0.802 1.00 0.00 O ATOM 0 H GLY A 93 9.652 1.122 -0.506 1.00 0.00 H new ATOM 0 HA2 GLY A 93 10.635 3.773 -0.422 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.248 3.157 -1.299 1.00 0.00 H new ATOM 1171 N LEU A 94 7.897 3.209 1.358 1.00 0.00 N ATOM 1172 CA LEU A 94 6.997 3.779 2.372 1.00 0.00 C ATOM 1173 C LEU A 94 7.737 4.438 3.548 1.00 0.00 C ATOM 1174 O LEU A 94 7.205 5.375 4.137 1.00 0.00 O ATOM 1175 CB LEU A 94 6.026 2.699 2.895 1.00 0.00 C ATOM 1176 CG LEU A 94 4.631 2.728 2.252 1.00 0.00 C ATOM 1177 CD1 LEU A 94 3.797 1.573 2.806 1.00 0.00 C ATOM 1178 CD2 LEU A 94 3.868 4.015 2.579 1.00 0.00 C ATOM 0 H LEU A 94 7.788 2.202 1.240 1.00 0.00 H new ATOM 0 HA LEU A 94 6.439 4.572 1.874 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.469 1.718 2.726 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.917 2.818 3.973 1.00 0.00 H new ATOM 0 HG LEU A 94 4.778 2.657 1.174 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.806 1.590 2.352 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.286 0.627 2.574 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.703 1.678 3.887 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.888 3.988 2.102 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.744 4.100 3.659 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.428 4.874 2.209 1.00 0.00 H new ATOM 1190 N GLN A 95 8.960 4.010 3.883 1.00 0.00 N ATOM 1191 CA GLN A 95 9.726 4.601 4.992 1.00 0.00 C ATOM 1192 C GLN A 95 10.053 6.082 4.737 1.00 0.00 C ATOM 1193 O GLN A 95 10.038 6.904 5.656 1.00 0.00 O ATOM 1194 CB GLN A 95 11.018 3.802 5.244 1.00 0.00 C ATOM 1195 CG GLN A 95 11.418 3.885 6.726 1.00 0.00 C ATOM 1196 CD GLN A 95 12.746 3.195 7.034 1.00 0.00 C ATOM 1197 OE1 GLN A 95 13.043 2.097 6.580 1.00 0.00 O ATOM 1198 NE2 GLN A 95 13.600 3.801 7.834 1.00 0.00 N ATOM 0 H GLN A 95 9.444 3.253 3.401 1.00 0.00 H new ATOM 0 HA GLN A 95 9.100 4.551 5.883 1.00 0.00 H new ATOM 0 HB2 GLN A 95 10.871 2.761 4.958 1.00 0.00 H new ATOM 0 HB3 GLN A 95 11.822 4.193 4.621 1.00 0.00 H new ATOM 0 HG2 GLN A 95 11.485 4.933 7.019 1.00 0.00 H new ATOM 0 HG3 GLN A 95 10.633 3.434 7.333 1.00 0.00 H new ATOM 0 HE21 GLN A 95 13.373 4.716 8.223 1.00 0.00 H new ATOM 0 HE22 GLN A 95 14.488 3.355 8.064 1.00 0.00 H new ATOM 1207 N LYS A 96 10.312 6.432 3.469 1.00 0.00 N ATOM 1208 CA LYS A 96 10.682 7.780 3.013 1.00 0.00 C ATOM 1209 C LYS A 96 9.566 8.815 3.221 1.00 0.00 C ATOM 1210 O LYS A 96 9.853 9.990 3.449 1.00 0.00 O ATOM 1211 CB LYS A 96 11.139 7.682 1.546 1.00 0.00 C ATOM 1212 CG LYS A 96 12.009 8.873 1.119 1.00 0.00 C ATOM 1213 CD LYS A 96 12.686 8.587 -0.232 1.00 0.00 C ATOM 1214 CE LYS A 96 13.710 9.662 -0.621 1.00 0.00 C ATOM 1215 NZ LYS A 96 13.074 10.959 -0.971 1.00 0.00 N ATOM 0 H LYS A 96 10.268 5.759 2.704 1.00 0.00 H new ATOM 0 HA LYS A 96 11.504 8.150 3.625 1.00 0.00 H new ATOM 0 HB2 LYS A 96 11.700 6.758 1.405 1.00 0.00 H new ATOM 0 HB3 LYS A 96 10.263 7.626 0.899 1.00 0.00 H new ATOM 0 HG2 LYS A 96 11.395 9.771 1.042 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.766 9.069 1.878 1.00 0.00 H new ATOM 0 HD2 LYS A 96 13.182 7.618 -0.187 1.00 0.00 H new ATOM 0 HD3 LYS A 96 11.924 8.519 -1.008 1.00 0.00 H new ATOM 0 HE2 LYS A 96 14.404 9.813 0.206 1.00 0.00 H new ATOM 0 HE3 LYS A 96 14.297 9.309 -1.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 13.810 11.649 -1.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 12.432 10.824 -1.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 12.535 11.313 -0.155 1.00 0.00 H new ATOM 1229 N LEU A 97 8.304 8.377 3.213 1.00 0.00 N ATOM 1230 CA LEU A 97 7.129 9.196 3.496 1.00 0.00 C ATOM 1231 C LEU A 97 7.150 9.683 4.957 1.00 0.00 C ATOM 1232 O LEU A 97 7.049 10.888 5.194 1.00 0.00 O ATOM 1233 CB LEU A 97 5.890 8.359 3.138 1.00 0.00 C ATOM 1234 CG LEU A 97 4.554 8.936 3.608 1.00 0.00 C ATOM 1235 CD1 LEU A 97 4.225 10.312 3.027 1.00 0.00 C ATOM 1236 CD2 LEU A 97 3.438 7.955 3.249 1.00 0.00 C ATOM 0 H LEU A 97 8.067 7.408 3.001 1.00 0.00 H new ATOM 0 HA LEU A 97 7.114 10.105 2.895 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.854 8.238 2.055 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.008 7.364 3.566 1.00 0.00 H new ATOM 0 HG LEU A 97 4.638 9.076 4.686 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.262 10.648 3.411 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.999 11.023 3.316 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.179 10.247 1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.480 8.357 3.580 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.416 7.808 2.169 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.621 7.000 3.742 1.00 0.00 H new ATOM 1248 N ILE A 98 7.322 8.778 5.935 1.00 0.00 N ATOM 1249 CA ILE A 98 7.460 9.186 7.347 1.00 0.00 C ATOM 1250 C ILE A 98 8.740 10.009 7.523 1.00 0.00 C ATOM 1251 O ILE A 98 8.696 11.042 8.176 1.00 0.00 O ATOM 1252 CB ILE A 98 7.447 8.017 8.364 1.00 0.00 C ATOM 1253 CG1 ILE A 98 6.335 6.985 8.095 1.00 0.00 C ATOM 1254 CG2 ILE A 98 7.270 8.558 9.802 1.00 0.00 C ATOM 1255 CD1 ILE A 98 6.903 5.760 7.385 1.00 0.00 C ATOM 0 H ILE A 98 7.369 7.771 5.779 1.00 0.00 H new ATOM 0 HA ILE A 98 6.575 9.781 7.571 1.00 0.00 H new ATOM 0 HB ILE A 98 8.407 7.513 8.249 1.00 0.00 H new ATOM 0 HG12 ILE A 98 5.873 6.686 9.036 1.00 0.00 H new ATOM 0 HG13 ILE A 98 5.552 7.436 7.485 1.00 0.00 H new ATOM 0 HG21 ILE A 98 7.263 7.726 10.506 1.00 0.00 H new ATOM 0 HG22 ILE A 98 8.095 9.229 10.042 1.00 0.00 H new ATOM 0 HG23 ILE A 98 6.328 9.101 9.873 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.104 5.042 7.203 1.00 0.00 H new ATOM 0 HD12 ILE A 98 7.343 6.062 6.434 1.00 0.00 H new ATOM 0 HD13 ILE A 98 7.669 5.300 8.009 1.00 0.00 H new ATOM 1267 N ASN A 99 9.862 9.599 6.912 1.00 0.00 N ATOM 1268 CA ASN A 99 11.151 10.300 6.993 1.00 0.00 C ATOM 1269 C ASN A 99 11.053 11.796 6.619 1.00 0.00 C ATOM 1270 O ASN A 99 11.699 12.628 7.259 1.00 0.00 O ATOM 1271 CB ASN A 99 12.179 9.565 6.114 1.00 0.00 C ATOM 1272 CG ASN A 99 13.591 10.096 6.300 1.00 0.00 C ATOM 1273 OD1 ASN A 99 14.053 10.975 5.586 1.00 0.00 O ATOM 1274 ND2 ASN A 99 14.330 9.569 7.249 1.00 0.00 N ATOM 0 H ASN A 99 9.899 8.757 6.338 1.00 0.00 H new ATOM 0 HA ASN A 99 11.478 10.284 8.033 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.160 8.501 6.351 1.00 0.00 H new ATOM 0 HB3 ASN A 99 11.893 9.663 5.067 1.00 0.00 H new ATOM 0 HD21 ASN A 99 15.287 9.893 7.389 1.00 0.00 H new ATOM 0 HD22 ASN A 99 13.947 8.836 7.846 1.00 0.00 H new ATOM 1281 N ASP A 100 10.231 12.153 5.626 1.00 0.00 N ATOM 1282 CA ASP A 100 9.971 13.551 5.249 1.00 0.00 C ATOM 1283 C ASP A 100 9.258 14.325 6.376 1.00 0.00 C ATOM 1284 O ASP A 100 9.734 15.369 6.828 1.00 0.00 O ATOM 1285 CB ASP A 100 9.144 13.599 3.956 1.00 0.00 C ATOM 1286 CG ASP A 100 8.847 15.049 3.535 1.00 0.00 C ATOM 1287 OD1 ASP A 100 9.702 15.668 2.857 1.00 0.00 O ATOM 1288 OD2 ASP A 100 7.762 15.575 3.881 1.00 0.00 O ATOM 0 H ASP A 100 9.723 11.477 5.056 1.00 0.00 H new ATOM 0 HA ASP A 100 10.932 14.037 5.080 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.684 13.090 3.158 1.00 0.00 H new ATOM 0 HB3 ASP A 100 8.207 13.061 4.101 1.00 0.00 H new ATOM 1293 N SER A 101 8.122 13.799 6.844 1.00 0.00 N ATOM 1294 CA SER A 101 7.220 14.430 7.821 1.00 0.00 C ATOM 1295 C SER A 101 7.479 13.986 9.273 1.00 0.00 C ATOM 1296 O SER A 101 6.600 14.069 10.133 1.00 0.00 O ATOM 1297 CB SER A 101 5.756 14.189 7.421 1.00 0.00 C ATOM 1298 OG SER A 101 5.528 14.361 6.028 1.00 0.00 O ATOM 0 H SER A 101 7.789 12.884 6.542 1.00 0.00 H new ATOM 0 HA SER A 101 7.430 15.499 7.798 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.467 13.178 7.709 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.115 14.874 7.976 1.00 0.00 H new ATOM 0 HG SER A 101 4.583 14.195 5.828 1.00 0.00 H new ATOM 1304 N VAL A 102 8.680 13.494 9.577 1.00 0.00 N ATOM 1305 CA VAL A 102 9.033 12.868 10.863 1.00 0.00 C ATOM 1306 C VAL A 102 8.920 13.840 12.046 1.00 0.00 C ATOM 1307 O VAL A 102 8.343 13.503 13.075 1.00 0.00 O ATOM 1308 CB VAL A 102 10.433 12.221 10.760 1.00 0.00 C ATOM 1309 CG1 VAL A 102 11.563 13.238 10.592 1.00 0.00 C ATOM 1310 CG2 VAL A 102 10.749 11.341 11.964 1.00 0.00 C ATOM 0 H VAL A 102 9.460 13.518 8.921 1.00 0.00 H new ATOM 0 HA VAL A 102 8.306 12.083 11.070 1.00 0.00 H new ATOM 0 HB VAL A 102 10.384 11.610 9.859 1.00 0.00 H new ATOM 0 HG11 VAL A 102 12.517 12.715 10.526 1.00 0.00 H new ATOM 0 HG12 VAL A 102 11.402 13.814 9.681 1.00 0.00 H new ATOM 0 HG13 VAL A 102 11.577 13.911 11.449 1.00 0.00 H new ATOM 0 HG21 VAL A 102 11.742 10.908 11.847 1.00 0.00 H new ATOM 0 HG22 VAL A 102 10.720 11.943 12.872 1.00 0.00 H new ATOM 0 HG23 VAL A 102 10.011 10.542 12.034 1.00 0.00 H new ATOM 1320 N PHE A 103 9.397 15.078 11.890 1.00 0.00 N ATOM 1321 CA PHE A 103 9.263 16.146 12.895 1.00 0.00 C ATOM 1322 C PHE A 103 7.842 16.738 12.948 1.00 0.00 C ATOM 1323 O PHE A 103 7.560 17.602 13.782 1.00 0.00 O ATOM 1324 CB PHE A 103 10.310 17.237 12.619 1.00 0.00 C ATOM 1325 CG PHE A 103 11.719 16.794 12.957 1.00 0.00 C ATOM 1326 CD1 PHE A 103 12.168 16.855 14.290 1.00 0.00 C ATOM 1327 CD2 PHE A 103 12.560 16.263 11.961 1.00 0.00 C ATOM 1328 CE1 PHE A 103 13.438 16.358 14.632 1.00 0.00 C ATOM 1329 CE2 PHE A 103 13.825 15.755 12.304 1.00 0.00 C ATOM 1330 CZ PHE A 103 14.259 15.791 13.641 1.00 0.00 C ATOM 0 H PHE A 103 9.895 15.375 11.051 1.00 0.00 H new ATOM 0 HA PHE A 103 9.441 15.708 13.877 1.00 0.00 H new ATOM 0 HB2 PHE A 103 10.265 17.520 11.567 1.00 0.00 H new ATOM 0 HB3 PHE A 103 10.064 18.126 13.199 1.00 0.00 H new ATOM 0 HD1 PHE A 103 11.535 17.285 15.052 1.00 0.00 H new ATOM 0 HD2 PHE A 103 12.233 16.246 10.932 1.00 0.00 H new ATOM 0 HE1 PHE A 103 13.782 16.412 15.654 1.00 0.00 H new ATOM 0 HE2 PHE A 103 14.464 15.337 11.540 1.00 0.00 H new ATOM 0 HZ PHE A 103 15.223 15.383 13.907 1.00 0.00 H new ATOM 1340 N PHE A 104 6.944 16.274 12.072 1.00 0.00 N ATOM 1341 CA PHE A 104 5.554 16.745 11.980 1.00 0.00 C ATOM 1342 C PHE A 104 4.586 15.774 12.674 1.00 0.00 C ATOM 1343 O PHE A 104 3.711 16.205 13.430 1.00 0.00 O ATOM 1344 CB PHE A 104 5.200 17.004 10.504 1.00 0.00 C ATOM 1345 CG PHE A 104 3.729 16.902 10.163 1.00 0.00 C ATOM 1346 CD1 PHE A 104 2.896 18.029 10.273 1.00 0.00 C ATOM 1347 CD2 PHE A 104 3.194 15.668 9.752 1.00 0.00 C ATOM 1348 CE1 PHE A 104 1.529 17.915 9.969 1.00 0.00 C ATOM 1349 CE2 PHE A 104 1.828 15.551 9.452 1.00 0.00 C ATOM 1350 CZ PHE A 104 0.999 16.677 9.565 1.00 0.00 C ATOM 0 H PHE A 104 7.166 15.546 11.393 1.00 0.00 H new ATOM 0 HA PHE A 104 5.451 17.689 12.515 1.00 0.00 H new ATOM 0 HB2 PHE A 104 5.550 18.000 10.233 1.00 0.00 H new ATOM 0 HB3 PHE A 104 5.749 16.294 9.886 1.00 0.00 H new ATOM 0 HD1 PHE A 104 3.305 18.977 10.589 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.838 14.805 9.667 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.885 18.779 10.046 1.00 0.00 H new ATOM 0 HE2 PHE A 104 1.419 14.603 9.137 1.00 0.00 H new ATOM 0 HZ PHE A 104 -0.054 16.592 9.340 1.00 0.00 H new ATOM 1360 N LEU A 105 4.755 14.468 12.451 1.00 0.00 N ATOM 1361 CA LEU A 105 3.961 13.414 13.077 1.00 0.00 C ATOM 1362 C LEU A 105 4.172 13.344 14.602 1.00 0.00 C ATOM 1363 O LEU A 105 5.299 13.464 15.093 1.00 0.00 O ATOM 1364 CB LEU A 105 4.337 12.088 12.392 1.00 0.00 C ATOM 1365 CG LEU A 105 3.846 11.990 10.934 1.00 0.00 C ATOM 1366 CD1 LEU A 105 4.306 10.671 10.336 1.00 0.00 C ATOM 1367 CD2 LEU A 105 2.333 12.104 10.782 1.00 0.00 C ATOM 0 H LEU A 105 5.466 14.108 11.814 1.00 0.00 H new ATOM 0 HA LEU A 105 2.900 13.627 12.944 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.421 11.973 12.411 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.918 11.260 12.965 1.00 0.00 H new ATOM 0 HG LEU A 105 4.278 12.840 10.407 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.960 10.599 9.305 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.395 10.622 10.358 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.894 9.845 10.916 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.066 12.026 9.728 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.850 11.301 11.339 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.000 13.067 11.170 1.00 0.00 H new ATOM 1379 N ALA A 106 3.083 13.140 15.355 1.00 0.00 N ATOM 1380 CA ALA A 106 3.124 12.941 16.809 1.00 0.00 C ATOM 1381 C ALA A 106 3.870 11.644 17.165 1.00 0.00 C ATOM 1382 O ALA A 106 3.920 10.727 16.346 1.00 0.00 O ATOM 1383 CB ALA A 106 1.684 12.871 17.345 1.00 0.00 C ATOM 0 H ALA A 106 2.140 13.108 14.968 1.00 0.00 H new ATOM 0 HA ALA A 106 3.655 13.777 17.264 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.704 12.723 18.425 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.165 13.802 17.116 1.00 0.00 H new ATOM 0 HB3 ALA A 106 1.161 12.038 16.875 1.00 0.00 H new ATOM 1389 N ALA A 107 4.352 11.505 18.407 1.00 0.00 N ATOM 1390 CA ALA A 107 5.044 10.300 18.894 1.00 0.00 C ATOM 1391 C ALA A 107 4.270 8.994 18.599 1.00 0.00 C ATOM 1392 O ALA A 107 4.867 7.975 18.245 1.00 0.00 O ATOM 1393 CB ALA A 107 5.327 10.476 20.391 1.00 0.00 C ATOM 0 H ALA A 107 4.272 12.236 19.114 1.00 0.00 H new ATOM 0 HA ALA A 107 5.983 10.194 18.351 1.00 0.00 H new ATOM 0 HB1 ALA A 107 5.840 9.592 20.771 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.956 11.353 20.542 1.00 0.00 H new ATOM 0 HB3 ALA A 107 4.387 10.607 20.926 1.00 0.00 H new ATOM 1399 N TYR A 108 2.936 9.045 18.702 1.00 0.00 N ATOM 1400 CA TYR A 108 2.019 7.954 18.365 1.00 0.00 C ATOM 1401 C TYR A 108 2.079 7.612 16.868 1.00 0.00 C ATOM 1402 O TYR A 108 2.406 6.489 16.483 1.00 0.00 O ATOM 1403 CB TYR A 108 0.594 8.349 18.787 1.00 0.00 C ATOM 1404 CG TYR A 108 -0.509 7.506 18.166 1.00 0.00 C ATOM 1405 CD1 TYR A 108 -0.707 6.175 18.584 1.00 0.00 C ATOM 1406 CD2 TYR A 108 -1.309 8.044 17.136 1.00 0.00 C ATOM 1407 CE1 TYR A 108 -1.703 5.384 17.976 1.00 0.00 C ATOM 1408 CE2 TYR A 108 -2.299 7.255 16.523 1.00 0.00 C ATOM 1409 CZ TYR A 108 -2.502 5.922 16.943 1.00 0.00 C ATOM 1410 OH TYR A 108 -3.451 5.162 16.332 1.00 0.00 O ATOM 0 H TYR A 108 2.450 9.878 19.034 1.00 0.00 H new ATOM 0 HA TYR A 108 2.320 7.057 18.906 1.00 0.00 H new ATOM 0 HB2 TYR A 108 0.519 8.279 19.872 1.00 0.00 H new ATOM 0 HB3 TYR A 108 0.427 9.393 18.522 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -0.095 5.760 19.371 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -1.161 9.065 16.817 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -1.855 4.365 18.301 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -2.905 7.669 15.730 1.00 0.00 H new ATOM 0 HH TYR A 108 -3.905 5.695 15.646 1.00 0.00 H new ATOM 1420 N ASP A 109 1.769 8.593 16.017 1.00 0.00 N ATOM 1421 CA ASP A 109 1.656 8.444 14.562 1.00 0.00 C ATOM 1422 C ASP A 109 2.993 8.048 13.909 1.00 0.00 C ATOM 1423 O ASP A 109 3.036 7.295 12.933 1.00 0.00 O ATOM 1424 CB ASP A 109 1.113 9.752 13.974 1.00 0.00 C ATOM 1425 CG ASP A 109 -0.016 9.521 12.953 1.00 0.00 C ATOM 1426 OD1 ASP A 109 0.069 8.571 12.141 1.00 0.00 O ATOM 1427 OD2 ASP A 109 -1.006 10.289 12.982 1.00 0.00 O ATOM 0 H ASP A 109 1.583 9.545 16.331 1.00 0.00 H new ATOM 0 HA ASP A 109 0.965 7.629 14.347 1.00 0.00 H new ATOM 0 HB2 ASP A 109 0.743 10.383 14.782 1.00 0.00 H new ATOM 0 HB3 ASP A 109 1.927 10.295 13.493 1.00 0.00 H new ATOM 1432 N LEU A 110 4.098 8.515 14.501 1.00 0.00 N ATOM 1433 CA LEU A 110 5.471 8.191 14.128 1.00 0.00 C ATOM 1434 C LEU A 110 5.661 6.670 14.181 1.00 0.00 C ATOM 1435 O LEU A 110 5.982 6.021 13.181 1.00 0.00 O ATOM 1436 CB LEU A 110 6.420 8.897 15.123 1.00 0.00 C ATOM 1437 CG LEU A 110 7.807 9.266 14.598 1.00 0.00 C ATOM 1438 CD1 LEU A 110 8.560 8.129 13.907 1.00 0.00 C ATOM 1439 CD2 LEU A 110 7.689 10.458 13.657 1.00 0.00 C ATOM 0 H LEU A 110 4.052 9.159 15.290 1.00 0.00 H new ATOM 0 HA LEU A 110 5.691 8.530 13.116 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.933 9.808 15.470 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.545 8.251 15.992 1.00 0.00 H new ATOM 0 HG LEU A 110 8.403 9.511 15.477 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.532 8.489 13.570 1.00 0.00 H new ATOM 0 HD12 LEU A 110 8.701 7.307 14.608 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.985 7.780 13.049 1.00 0.00 H new ATOM 0 HD21 LEU A 110 8.677 10.724 13.281 1.00 0.00 H new ATOM 0 HD22 LEU A 110 7.040 10.198 12.821 1.00 0.00 H new ATOM 0 HD23 LEU A 110 7.266 11.306 14.195 1.00 0.00 H new ATOM 1451 N ARG A 111 5.419 6.101 15.371 1.00 0.00 N ATOM 1452 CA ARG A 111 5.547 4.666 15.633 1.00 0.00 C ATOM 1453 C ARG A 111 4.513 3.822 14.893 1.00 0.00 C ATOM 1454 O ARG A 111 4.822 2.704 14.498 1.00 0.00 O ATOM 1455 CB ARG A 111 5.590 4.414 17.152 1.00 0.00 C ATOM 1456 CG ARG A 111 6.216 3.050 17.484 1.00 0.00 C ATOM 1457 CD ARG A 111 6.685 2.984 18.946 1.00 0.00 C ATOM 1458 NE ARG A 111 7.534 1.800 19.197 1.00 0.00 N ATOM 1459 CZ ARG A 111 8.815 1.648 18.902 1.00 0.00 C ATOM 1460 NH1 ARG A 111 9.511 2.582 18.316 1.00 0.00 N ATOM 1461 NH2 ARG A 111 9.432 0.539 19.190 1.00 0.00 N ATOM 0 H ARG A 111 5.125 6.636 16.188 1.00 0.00 H new ATOM 0 HA ARG A 111 6.496 4.327 15.218 1.00 0.00 H new ATOM 0 HB2 ARG A 111 6.163 5.205 17.636 1.00 0.00 H new ATOM 0 HB3 ARG A 111 4.579 4.459 17.557 1.00 0.00 H new ATOM 0 HG2 ARG A 111 5.488 2.260 17.299 1.00 0.00 H new ATOM 0 HG3 ARG A 111 7.062 2.866 16.821 1.00 0.00 H new ATOM 0 HD2 ARG A 111 7.242 3.889 19.190 1.00 0.00 H new ATOM 0 HD3 ARG A 111 5.817 2.956 19.605 1.00 0.00 H new ATOM 0 HE ARG A 111 7.079 1.008 19.651 1.00 0.00 H new ATOM 0 HH11 ARG A 111 9.070 3.468 18.069 1.00 0.00 H new ATOM 0 HH12 ARG A 111 10.497 2.427 18.105 1.00 0.00 H new ATOM 0 HH21 ARG A 111 8.928 -0.221 19.647 1.00 0.00 H new ATOM 0 HH22 ARG A 111 10.420 0.430 18.959 1.00 0.00 H new ATOM 1475 N GLN A 112 3.336 4.380 14.624 1.00 0.00 N ATOM 1476 CA GLN A 112 2.278 3.738 13.828 1.00 0.00 C ATOM 1477 C GLN A 112 2.738 3.476 12.386 1.00 0.00 C ATOM 1478 O GLN A 112 2.681 2.335 11.923 1.00 0.00 O ATOM 1479 CB GLN A 112 1.004 4.598 13.822 1.00 0.00 C ATOM 1480 CG GLN A 112 0.091 4.358 15.030 1.00 0.00 C ATOM 1481 CD GLN A 112 -0.649 3.022 14.941 1.00 0.00 C ATOM 1482 OE1 GLN A 112 -1.346 2.720 13.980 1.00 0.00 O ATOM 1483 NE2 GLN A 112 -0.536 2.161 15.930 1.00 0.00 N ATOM 0 H GLN A 112 3.080 5.309 14.957 1.00 0.00 H new ATOM 0 HA GLN A 112 2.057 2.778 14.295 1.00 0.00 H new ATOM 0 HB2 GLN A 112 1.287 5.650 13.795 1.00 0.00 H new ATOM 0 HB3 GLN A 112 0.444 4.395 12.909 1.00 0.00 H new ATOM 0 HG2 GLN A 112 0.686 4.381 15.943 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -0.634 5.169 15.102 1.00 0.00 H new ATOM 0 HE21 GLN A 112 0.039 2.389 16.741 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -1.023 1.266 15.885 1.00 0.00 H new ATOM 1492 N GLY A 113 3.220 4.509 11.683 1.00 0.00 N ATOM 1493 CA GLY A 113 3.751 4.386 10.321 1.00 0.00 C ATOM 1494 C GLY A 113 4.899 3.375 10.228 1.00 0.00 C ATOM 1495 O GLY A 113 4.891 2.487 9.377 1.00 0.00 O ATOM 0 H GLY A 113 3.252 5.461 12.047 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.949 4.083 9.648 1.00 0.00 H new ATOM 0 HA3 GLY A 113 4.101 5.361 9.982 1.00 0.00 H new ATOM 1499 N GLN A 114 5.865 3.475 11.144 1.00 0.00 N ATOM 1500 CA GLN A 114 7.008 2.560 11.240 1.00 0.00 C ATOM 1501 C GLN A 114 6.589 1.099 11.523 1.00 0.00 C ATOM 1502 O GLN A 114 7.105 0.180 10.886 1.00 0.00 O ATOM 1503 CB GLN A 114 7.974 3.087 12.314 1.00 0.00 C ATOM 1504 CG GLN A 114 8.663 4.410 11.930 1.00 0.00 C ATOM 1505 CD GLN A 114 9.783 4.215 10.910 1.00 0.00 C ATOM 1506 OE1 GLN A 114 9.566 4.096 9.713 1.00 0.00 O ATOM 1507 NE2 GLN A 114 11.026 4.177 11.341 1.00 0.00 N ATOM 0 H GLN A 114 5.876 4.207 11.854 1.00 0.00 H new ATOM 0 HA GLN A 114 7.508 2.535 10.272 1.00 0.00 H new ATOM 0 HB2 GLN A 114 7.426 3.230 13.245 1.00 0.00 H new ATOM 0 HB3 GLN A 114 8.737 2.332 12.506 1.00 0.00 H new ATOM 0 HG2 GLN A 114 7.921 5.097 11.522 1.00 0.00 H new ATOM 0 HG3 GLN A 114 9.071 4.877 12.827 1.00 0.00 H new ATOM 0 HE21 GLN A 114 11.224 4.275 12.337 1.00 0.00 H new ATOM 0 HE22 GLN A 114 11.792 4.050 10.679 1.00 0.00 H new ATOM 1516 N GLU A 115 5.637 0.860 12.435 1.00 0.00 N ATOM 1517 CA GLU A 115 5.074 -0.476 12.721 1.00 0.00 C ATOM 1518 C GLU A 115 4.396 -1.116 11.507 1.00 0.00 C ATOM 1519 O GLU A 115 4.561 -2.304 11.222 1.00 0.00 O ATOM 1520 CB GLU A 115 4.089 -0.413 13.896 1.00 0.00 C ATOM 1521 CG GLU A 115 4.757 -0.447 15.280 1.00 0.00 C ATOM 1522 CD GLU A 115 5.018 -1.881 15.791 1.00 0.00 C ATOM 1523 OE1 GLU A 115 5.418 -2.766 14.996 1.00 0.00 O ATOM 1524 OE2 GLU A 115 4.836 -2.135 17.008 1.00 0.00 O ATOM 0 H GLU A 115 5.227 1.598 13.007 1.00 0.00 H new ATOM 0 HA GLU A 115 5.920 -1.110 12.987 1.00 0.00 H new ATOM 0 HB2 GLU A 115 3.499 0.499 13.812 1.00 0.00 H new ATOM 0 HB3 GLU A 115 3.395 -1.250 13.819 1.00 0.00 H new ATOM 0 HG2 GLU A 115 5.702 0.094 15.234 1.00 0.00 H new ATOM 0 HG3 GLU A 115 4.124 0.078 15.996 1.00 0.00 H new ATOM 1531 N ALA A 116 3.640 -0.310 10.771 1.00 0.00 N ATOM 1532 CA ALA A 116 2.893 -0.741 9.596 1.00 0.00 C ATOM 1533 C ALA A 116 3.801 -1.263 8.464 1.00 0.00 C ATOM 1534 O ALA A 116 3.434 -2.245 7.820 1.00 0.00 O ATOM 1535 CB ALA A 116 1.971 0.389 9.156 1.00 0.00 C ATOM 0 H ALA A 116 3.527 0.682 10.979 1.00 0.00 H new ATOM 0 HA ALA A 116 2.281 -1.603 9.863 1.00 0.00 H new ATOM 0 HB1 ALA A 116 1.407 0.077 8.277 1.00 0.00 H new ATOM 0 HB2 ALA A 116 1.280 0.630 9.964 1.00 0.00 H new ATOM 0 HB3 ALA A 116 2.565 1.269 8.912 1.00 0.00 H new ATOM 1541 N LEU A 117 4.991 -0.680 8.237 1.00 0.00 N ATOM 1542 CA LEU A 117 5.955 -1.196 7.244 1.00 0.00 C ATOM 1543 C LEU A 117 6.329 -2.653 7.561 1.00 0.00 C ATOM 1544 O LEU A 117 6.365 -3.511 6.675 1.00 0.00 O ATOM 1545 CB LEU A 117 7.262 -0.374 7.241 1.00 0.00 C ATOM 1546 CG LEU A 117 7.340 0.755 6.203 1.00 0.00 C ATOM 1547 CD1 LEU A 117 6.792 2.067 6.754 1.00 0.00 C ATOM 1548 CD2 LEU A 117 8.798 0.977 5.817 1.00 0.00 C ATOM 0 H LEU A 117 5.311 0.154 8.730 1.00 0.00 H new ATOM 0 HA LEU A 117 5.470 -1.123 6.271 1.00 0.00 H new ATOM 0 HB2 LEU A 117 7.399 0.059 8.232 1.00 0.00 H new ATOM 0 HB3 LEU A 117 8.097 -1.055 7.073 1.00 0.00 H new ATOM 0 HG LEU A 117 6.741 0.458 5.343 1.00 0.00 H new ATOM 0 HD11 LEU A 117 6.865 2.841 5.990 1.00 0.00 H new ATOM 0 HD12 LEU A 117 5.748 1.934 7.038 1.00 0.00 H new ATOM 0 HD13 LEU A 117 7.371 2.365 7.628 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.861 1.778 5.080 1.00 0.00 H new ATOM 0 HD22 LEU A 117 9.371 1.253 6.702 1.00 0.00 H new ATOM 0 HD23 LEU A 117 9.206 0.060 5.392 1.00 0.00 H new ATOM 1560 N ALA A 118 6.600 -2.925 8.841 1.00 0.00 N ATOM 1561 CA ALA A 118 6.985 -4.246 9.335 1.00 0.00 C ATOM 1562 C ALA A 118 5.890 -5.289 9.079 1.00 0.00 C ATOM 1563 O ALA A 118 6.194 -6.441 8.779 1.00 0.00 O ATOM 1564 CB ALA A 118 7.283 -4.162 10.835 1.00 0.00 C ATOM 0 H ALA A 118 6.556 -2.218 9.575 1.00 0.00 H new ATOM 0 HA ALA A 118 7.877 -4.563 8.794 1.00 0.00 H new ATOM 0 HB1 ALA A 118 7.570 -5.146 11.205 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.098 -3.459 11.005 1.00 0.00 H new ATOM 0 HB3 ALA A 118 6.393 -3.821 11.364 1.00 0.00 H new ATOM 1570 N ARG A 119 4.615 -4.880 9.158 1.00 0.00 N ATOM 1571 CA ARG A 119 3.449 -5.735 8.897 1.00 0.00 C ATOM 1572 C ARG A 119 3.480 -6.315 7.477 1.00 0.00 C ATOM 1573 O ARG A 119 3.298 -7.518 7.291 1.00 0.00 O ATOM 1574 CB ARG A 119 2.163 -4.927 9.155 1.00 0.00 C ATOM 1575 CG ARG A 119 0.960 -5.820 9.483 1.00 0.00 C ATOM 1576 CD ARG A 119 -0.293 -4.960 9.696 1.00 0.00 C ATOM 1577 NE ARG A 119 -1.375 -5.727 10.345 1.00 0.00 N ATOM 1578 CZ ARG A 119 -2.566 -5.278 10.701 1.00 0.00 C ATOM 1579 NH1 ARG A 119 -2.958 -4.067 10.427 1.00 0.00 N ATOM 1580 NH2 ARG A 119 -3.394 -6.043 11.353 1.00 0.00 N ATOM 0 H ARG A 119 4.361 -3.925 9.411 1.00 0.00 H new ATOM 0 HA ARG A 119 3.474 -6.587 9.576 1.00 0.00 H new ATOM 0 HB2 ARG A 119 2.333 -4.235 9.980 1.00 0.00 H new ATOM 0 HB3 ARG A 119 1.934 -4.325 8.276 1.00 0.00 H new ATOM 0 HG2 ARG A 119 0.791 -6.528 8.672 1.00 0.00 H new ATOM 0 HG3 ARG A 119 1.165 -6.405 10.379 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -0.041 -4.095 10.309 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -0.641 -4.580 8.736 1.00 0.00 H new ATOM 0 HE ARG A 119 -1.182 -6.710 10.540 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -2.339 -3.432 9.923 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -3.884 -3.753 10.717 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -3.125 -6.997 11.593 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -4.311 -5.688 11.624 1.00 0.00 H new ATOM 1594 N LEU A 120 3.763 -5.462 6.487 1.00 0.00 N ATOM 1595 CA LEU A 120 3.908 -5.839 5.073 1.00 0.00 C ATOM 1596 C LEU A 120 5.126 -6.759 4.878 1.00 0.00 C ATOM 1597 O LEU A 120 5.029 -7.798 4.225 1.00 0.00 O ATOM 1598 CB LEU A 120 4.032 -4.579 4.185 1.00 0.00 C ATOM 1599 CG LEU A 120 3.039 -3.442 4.494 1.00 0.00 C ATOM 1600 CD1 LEU A 120 3.216 -2.292 3.507 1.00 0.00 C ATOM 1601 CD2 LEU A 120 1.578 -3.898 4.450 1.00 0.00 C ATOM 0 H LEU A 120 3.901 -4.464 6.649 1.00 0.00 H new ATOM 0 HA LEU A 120 3.015 -6.386 4.772 1.00 0.00 H new ATOM 0 HB2 LEU A 120 5.045 -4.188 4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.903 -4.876 3.144 1.00 0.00 H new ATOM 0 HG LEU A 120 3.264 -3.115 5.509 1.00 0.00 H new ATOM 0 HD11 LEU A 120 2.506 -1.499 3.741 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.232 -1.903 3.580 1.00 0.00 H new ATOM 0 HD13 LEU A 120 3.037 -2.651 2.494 1.00 0.00 H new ATOM 0 HD21 LEU A 120 0.926 -3.054 4.676 1.00 0.00 H new ATOM 0 HD22 LEU A 120 1.346 -4.280 3.456 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.420 -4.685 5.187 1.00 0.00 H new ATOM 1613 N GLN A 121 6.267 -6.400 5.478 1.00 0.00 N ATOM 1614 CA GLN A 121 7.520 -7.147 5.405 1.00 0.00 C ATOM 1615 C GLN A 121 7.410 -8.554 6.017 1.00 0.00 C ATOM 1616 O GLN A 121 7.869 -9.521 5.411 1.00 0.00 O ATOM 1617 CB GLN A 121 8.607 -6.284 6.065 1.00 0.00 C ATOM 1618 CG GLN A 121 9.978 -6.965 6.124 1.00 0.00 C ATOM 1619 CD GLN A 121 11.123 -5.999 5.824 1.00 0.00 C ATOM 1620 OE1 GLN A 121 11.559 -5.221 6.662 1.00 0.00 O ATOM 1621 NE2 GLN A 121 11.659 -6.015 4.620 1.00 0.00 N ATOM 0 H GLN A 121 6.342 -5.555 6.044 1.00 0.00 H new ATOM 0 HA GLN A 121 7.784 -7.335 4.364 1.00 0.00 H new ATOM 0 HB2 GLN A 121 8.699 -5.347 5.515 1.00 0.00 H new ATOM 0 HB3 GLN A 121 8.293 -6.030 7.077 1.00 0.00 H new ATOM 0 HG2 GLN A 121 10.123 -7.399 7.113 1.00 0.00 H new ATOM 0 HG3 GLN A 121 10.003 -7.787 5.409 1.00 0.00 H new ATOM 0 HE21 GLN A 121 11.305 -6.659 3.913 1.00 0.00 H new ATOM 0 HE22 GLN A 121 12.428 -5.384 4.396 1.00 0.00 H new ATOM 1630 N ALA A 122 6.765 -8.694 7.176 1.00 0.00 N ATOM 1631 CA ALA A 122 6.497 -9.976 7.825 1.00 0.00 C ATOM 1632 C ALA A 122 5.642 -10.906 6.946 1.00 0.00 C ATOM 1633 O ALA A 122 5.985 -12.075 6.765 1.00 0.00 O ATOM 1634 CB ALA A 122 5.826 -9.704 9.177 1.00 0.00 C ATOM 0 H ALA A 122 6.406 -7.897 7.702 1.00 0.00 H new ATOM 0 HA ALA A 122 7.440 -10.500 7.981 1.00 0.00 H new ATOM 0 HB1 ALA A 122 5.618 -10.650 9.677 1.00 0.00 H new ATOM 0 HB2 ALA A 122 6.490 -9.104 9.799 1.00 0.00 H new ATOM 0 HB3 ALA A 122 4.892 -9.165 9.018 1.00 0.00 H new ATOM 1640 N ALA A 123 4.561 -10.389 6.350 1.00 0.00 N ATOM 1641 CA ALA A 123 3.728 -11.144 5.416 1.00 0.00 C ATOM 1642 C ALA A 123 4.504 -11.580 4.154 1.00 0.00 C ATOM 1643 O ALA A 123 4.339 -12.707 3.680 1.00 0.00 O ATOM 1644 CB ALA A 123 2.499 -10.298 5.076 1.00 0.00 C ATOM 0 H ALA A 123 4.241 -9.433 6.504 1.00 0.00 H new ATOM 0 HA ALA A 123 3.410 -12.073 5.889 1.00 0.00 H new ATOM 0 HB1 ALA A 123 1.863 -10.844 4.379 1.00 0.00 H new ATOM 0 HB2 ALA A 123 1.940 -10.086 5.987 1.00 0.00 H new ATOM 0 HB3 ALA A 123 2.817 -9.361 4.619 1.00 0.00 H new ATOM 1650 N LEU A 124 5.390 -10.722 3.634 1.00 0.00 N ATOM 1651 CA LEU A 124 6.275 -11.032 2.507 1.00 0.00 C ATOM 1652 C LEU A 124 7.334 -12.092 2.859 1.00 0.00 C ATOM 1653 O LEU A 124 7.658 -12.939 2.026 1.00 0.00 O ATOM 1654 CB LEU A 124 6.927 -9.724 2.013 1.00 0.00 C ATOM 1655 CG LEU A 124 7.442 -9.806 0.568 1.00 0.00 C ATOM 1656 CD1 LEU A 124 6.290 -9.836 -0.429 1.00 0.00 C ATOM 1657 CD2 LEU A 124 8.264 -8.569 0.228 1.00 0.00 C ATOM 0 H LEU A 124 5.513 -9.775 3.992 1.00 0.00 H new ATOM 0 HA LEU A 124 5.677 -11.469 1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 124 6.201 -8.915 2.086 1.00 0.00 H new ATOM 0 HB3 LEU A 124 7.757 -9.469 2.672 1.00 0.00 H new ATOM 0 HG LEU A 124 8.036 -10.717 0.500 1.00 0.00 H new ATOM 0 HD11 LEU A 124 6.687 -9.894 -1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 124 5.663 -10.706 -0.235 1.00 0.00 H new ATOM 0 HD13 LEU A 124 5.694 -8.929 -0.324 1.00 0.00 H new ATOM 0 HD21 LEU A 124 8.622 -8.641 -0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 124 7.643 -7.679 0.334 1.00 0.00 H new ATOM 0 HD23 LEU A 124 9.115 -8.500 0.905 1.00 0.00 H new ATOM 1669 N ALA A 125 7.843 -12.088 4.095 1.00 0.00 N ATOM 1670 CA ALA A 125 8.783 -13.086 4.612 1.00 0.00 C ATOM 1671 C ALA A 125 8.188 -14.512 4.721 1.00 0.00 C ATOM 1672 O ALA A 125 8.929 -15.489 4.844 1.00 0.00 O ATOM 1673 CB ALA A 125 9.338 -12.601 5.957 1.00 0.00 C ATOM 0 H ALA A 125 7.606 -11.371 4.781 1.00 0.00 H new ATOM 0 HA ALA A 125 9.592 -13.180 3.887 1.00 0.00 H new ATOM 0 HB1 ALA A 125 10.039 -13.338 6.349 1.00 0.00 H new ATOM 0 HB2 ALA A 125 9.852 -11.650 5.817 1.00 0.00 H new ATOM 0 HB3 ALA A 125 8.518 -12.469 6.663 1.00 0.00 H new ATOM 1679 N GLU A 126 6.863 -14.649 4.627 1.00 0.00 N ATOM 1680 CA GLU A 126 6.139 -15.930 4.605 1.00 0.00 C ATOM 1681 C GLU A 126 5.938 -16.434 3.168 1.00 0.00 C ATOM 1682 O GLU A 126 6.190 -17.607 2.884 1.00 0.00 O ATOM 1683 CB GLU A 126 4.779 -15.789 5.309 1.00 0.00 C ATOM 1684 CG GLU A 126 4.915 -15.633 6.830 1.00 0.00 C ATOM 1685 CD GLU A 126 3.556 -15.331 7.496 1.00 0.00 C ATOM 1686 OE1 GLU A 126 2.598 -16.124 7.321 1.00 0.00 O ATOM 1687 OE2 GLU A 126 3.437 -14.313 8.219 1.00 0.00 O ATOM 0 H GLU A 126 6.239 -13.845 4.562 1.00 0.00 H new ATOM 0 HA GLU A 126 6.744 -16.663 5.140 1.00 0.00 H new ATOM 0 HB2 GLU A 126 4.253 -14.925 4.904 1.00 0.00 H new ATOM 0 HB3 GLU A 126 4.168 -16.665 5.090 1.00 0.00 H new ATOM 0 HG2 GLU A 126 5.333 -16.546 7.254 1.00 0.00 H new ATOM 0 HG3 GLU A 126 5.616 -14.828 7.052 1.00 0.00 H new ATOM 1694 N ARG A 127 5.530 -15.554 2.239 1.00 0.00 N ATOM 1695 CA ARG A 127 5.367 -15.896 0.812 1.00 0.00 C ATOM 1696 C ARG A 127 6.706 -16.257 0.167 1.00 0.00 C ATOM 1697 O ARG A 127 6.792 -17.259 -0.545 1.00 0.00 O ATOM 1698 CB ARG A 127 4.651 -14.770 0.034 1.00 0.00 C ATOM 1699 CG ARG A 127 3.117 -14.812 0.156 1.00 0.00 C ATOM 1700 CD ARG A 127 2.604 -14.330 1.517 1.00 0.00 C ATOM 1701 NE ARG A 127 1.156 -14.558 1.674 1.00 0.00 N ATOM 1702 CZ ARG A 127 0.472 -14.442 2.797 1.00 0.00 C ATOM 1703 NH1 ARG A 127 1.024 -13.995 3.892 1.00 0.00 N ATOM 1704 NH2 ARG A 127 -0.784 -14.781 2.846 1.00 0.00 N ATOM 0 H ARG A 127 5.303 -14.583 2.454 1.00 0.00 H new ATOM 0 HA ARG A 127 4.730 -16.779 0.762 1.00 0.00 H new ATOM 0 HB2 ARG A 127 5.009 -13.806 0.396 1.00 0.00 H new ATOM 0 HB3 ARG A 127 4.925 -14.837 -1.019 1.00 0.00 H new ATOM 0 HG2 ARG A 127 2.680 -14.194 -0.629 1.00 0.00 H new ATOM 0 HG3 ARG A 127 2.774 -15.833 -0.013 1.00 0.00 H new ATOM 0 HD2 ARG A 127 3.141 -14.849 2.311 1.00 0.00 H new ATOM 0 HD3 ARG A 127 2.818 -13.267 1.629 1.00 0.00 H new ATOM 0 HE ARG A 127 0.636 -14.830 0.840 1.00 0.00 H new ATOM 0 HH11 ARG A 127 2.008 -13.725 3.894 1.00 0.00 H new ATOM 0 HH12 ARG A 127 0.472 -13.916 4.746 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -1.248 -15.140 2.012 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -1.304 -14.688 3.719 1.00 0.00 H new ATOM 1718 N ARG A 128 7.776 -15.506 0.468 1.00 0.00 N ATOM 1719 CA ARG A 128 9.138 -15.779 -0.042 1.00 0.00 C ATOM 1720 C ARG A 128 9.639 -17.174 0.302 1.00 0.00 C ATOM 1721 O ARG A 128 10.259 -17.822 -0.533 1.00 0.00 O ATOM 1722 CB ARG A 128 10.119 -14.681 0.407 1.00 0.00 C ATOM 1723 CG ARG A 128 10.700 -14.798 1.822 1.00 0.00 C ATOM 1724 CD ARG A 128 11.736 -13.702 2.118 1.00 0.00 C ATOM 1725 NE ARG A 128 11.226 -12.335 1.876 1.00 0.00 N ATOM 1726 CZ ARG A 128 11.943 -11.224 1.860 1.00 0.00 C ATOM 1727 NH1 ARG A 128 13.203 -11.205 2.184 1.00 0.00 N ATOM 1728 NH2 ARG A 128 11.402 -10.095 1.509 1.00 0.00 N ATOM 0 H ARG A 128 7.726 -14.687 1.074 1.00 0.00 H new ATOM 0 HA ARG A 128 9.080 -15.755 -1.130 1.00 0.00 H new ATOM 0 HB2 ARG A 128 10.949 -14.660 -0.299 1.00 0.00 H new ATOM 0 HB3 ARG A 128 9.610 -13.720 0.329 1.00 0.00 H new ATOM 0 HG2 ARG A 128 9.892 -14.737 2.551 1.00 0.00 H new ATOM 0 HG3 ARG A 128 11.165 -15.777 1.942 1.00 0.00 H new ATOM 0 HD2 ARG A 128 12.055 -13.785 3.157 1.00 0.00 H new ATOM 0 HD3 ARG A 128 12.618 -13.868 1.499 1.00 0.00 H new ATOM 0 HE ARG A 128 10.225 -12.240 1.705 1.00 0.00 H new ATOM 0 HH11 ARG A 128 13.671 -12.067 2.463 1.00 0.00 H new ATOM 0 HH12 ARG A 128 13.723 -10.328 2.159 1.00 0.00 H new ATOM 0 HH21 ARG A 128 10.418 -10.062 1.243 1.00 0.00 H new ATOM 0 HH22 ARG A 128 11.962 -9.242 1.499 1.00 0.00 H new