USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 248 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 58 THR OG1 : rot 180:sc= -1.13 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -1.35 K(o=-1.4,f=-2.3) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.273 USER MOD Single : A 63 THR OG1 : rot 24:sc= 0.0449 USER MOD Single : A 66 GLN : amide:sc= -0.212 K(o=-0.21,f=-1.9!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -2.56! C(o=-2.6!,f=-3.4!) USER MOD Single : A 74 SER OG : rot 160:sc= -0.399 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.669 K(o=-0.67,f=-0.13) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.732 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 591 N THR A 58 -16.321 -1.448 -13.013 1.00 0.00 N ATOM 592 CA THR A 58 -15.551 -1.947 -11.887 1.00 0.00 C ATOM 593 C THR A 58 -14.060 -1.973 -12.229 1.00 0.00 C ATOM 594 O THR A 58 -13.546 -2.986 -12.701 1.00 0.00 O ATOM 595 CB THR A 58 -16.110 -3.318 -11.502 1.00 0.00 C ATOM 596 OG1 THR A 58 -15.398 -3.663 -10.316 1.00 0.00 O ATOM 597 CG2 THR A 58 -15.722 -4.410 -12.500 1.00 0.00 C ATOM 0 HA THR A 58 -15.642 -1.288 -11.023 1.00 0.00 H new ATOM 0 HB THR A 58 -17.196 -3.260 -11.432 1.00 0.00 H new ATOM 0 HG1 THR A 58 -15.700 -4.539 -9.997 1.00 0.00 H new ATOM 0 HG21 THR A 58 -16.144 -5.362 -12.180 1.00 0.00 H new ATOM 0 HG22 THR A 58 -16.109 -4.155 -13.487 1.00 0.00 H new ATOM 0 HG23 THR A 58 -14.636 -4.492 -12.546 1.00 0.00 H new ATOM 605 N TYR A 59 -13.407 -0.848 -11.977 1.00 0.00 N ATOM 606 CA TYR A 59 -11.986 -0.729 -12.254 1.00 0.00 C ATOM 607 C TYR A 59 -11.221 -0.279 -11.007 1.00 0.00 C ATOM 608 O TYR A 59 -11.791 0.353 -10.119 1.00 0.00 O ATOM 609 CB TYR A 59 -11.854 0.347 -13.334 1.00 0.00 C ATOM 610 CG TYR A 59 -12.598 1.645 -13.014 1.00 0.00 C ATOM 611 CD1 TYR A 59 -13.975 1.690 -13.099 1.00 0.00 C ATOM 612 CD2 TYR A 59 -11.892 2.770 -12.639 1.00 0.00 C ATOM 613 CE1 TYR A 59 -14.675 2.911 -12.797 1.00 0.00 C ATOM 614 CE2 TYR A 59 -12.592 3.992 -12.338 1.00 0.00 C ATOM 615 CZ TYR A 59 -13.949 4.003 -12.432 1.00 0.00 C ATOM 616 OH TYR A 59 -14.610 5.156 -12.147 1.00 0.00 O ATOM 0 H TYR A 59 -13.836 -0.010 -11.584 1.00 0.00 H new ATOM 0 HA TYR A 59 -11.575 -1.688 -12.568 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.798 0.572 -13.480 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -12.229 -0.051 -14.277 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -14.527 0.809 -13.392 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.815 2.734 -12.571 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -15.752 2.960 -12.859 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -12.052 4.880 -12.044 1.00 0.00 H new ATOM 0 HH TYR A 59 -13.964 5.851 -11.901 1.00 0.00 H new ATOM 625 N CYS A 60 -9.942 -0.622 -10.981 1.00 0.00 N ATOM 626 CA CYS A 60 -9.093 -0.262 -9.857 1.00 0.00 C ATOM 627 C CYS A 60 -9.310 1.221 -9.549 1.00 0.00 C ATOM 628 O CYS A 60 -9.297 2.056 -10.452 1.00 0.00 O ATOM 629 CB CYS A 60 -7.622 -0.577 -10.136 1.00 0.00 C ATOM 630 SG CYS A 60 -7.321 -2.202 -10.922 1.00 0.00 S ATOM 0 H CYS A 60 -9.472 -1.145 -11.720 1.00 0.00 H new ATOM 0 HA CYS A 60 -9.365 -0.858 -8.986 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.214 0.203 -10.779 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.072 -0.536 -9.196 1.00 0.00 H new ATOM 634 N ASN A 61 -9.504 1.503 -8.269 1.00 0.00 N ATOM 635 CA ASN A 61 -9.724 2.871 -7.828 1.00 0.00 C ATOM 636 C ASN A 61 -8.525 3.334 -7.000 1.00 0.00 C ATOM 637 O ASN A 61 -7.638 2.540 -6.686 1.00 0.00 O ATOM 638 CB ASN A 61 -10.974 2.973 -6.952 1.00 0.00 C ATOM 639 CG ASN A 61 -11.454 4.422 -6.849 1.00 0.00 C ATOM 640 OD1 ASN A 61 -11.417 5.184 -7.801 1.00 0.00 O ATOM 641 ND2 ASN A 61 -11.906 4.759 -5.644 1.00 0.00 N ATOM 0 H ASN A 61 -9.513 0.808 -7.523 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.853 3.494 -8.713 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -11.767 2.352 -7.370 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -10.757 2.586 -5.956 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -12.249 5.704 -5.474 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.909 4.072 -4.890 1.00 0.00 H new ATOM 647 N THR A 62 -8.535 4.617 -6.668 1.00 0.00 N ATOM 648 CA THR A 62 -7.460 5.194 -5.881 1.00 0.00 C ATOM 649 C THR A 62 -7.585 4.774 -4.415 1.00 0.00 C ATOM 650 O THR A 62 -8.464 5.255 -3.700 1.00 0.00 O ATOM 651 CB THR A 62 -7.489 6.711 -6.083 1.00 0.00 C ATOM 652 OG1 THR A 62 -6.810 6.909 -7.320 1.00 0.00 O ATOM 653 CG2 THR A 62 -6.624 7.454 -5.061 1.00 0.00 C ATOM 0 H THR A 62 -9.271 5.273 -6.930 1.00 0.00 H new ATOM 0 HA THR A 62 -6.488 4.825 -6.209 1.00 0.00 H new ATOM 0 HB THR A 62 -8.517 7.067 -6.016 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.784 7.866 -7.529 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.680 8.526 -5.248 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.986 7.242 -4.055 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.589 7.123 -5.151 1.00 0.00 H new ATOM 661 N THR A 63 -6.694 3.881 -4.010 1.00 0.00 N ATOM 662 CA THR A 63 -6.695 3.391 -2.642 1.00 0.00 C ATOM 663 C THR A 63 -5.267 3.331 -2.097 1.00 0.00 C ATOM 664 O THR A 63 -4.304 3.395 -2.859 1.00 0.00 O ATOM 665 CB THR A 63 -7.409 2.038 -2.625 1.00 0.00 C ATOM 666 OG1 THR A 63 -8.772 2.368 -2.372 1.00 0.00 O ATOM 667 CG2 THR A 63 -7.004 1.177 -1.426 1.00 0.00 C ATOM 0 H THR A 63 -5.967 3.484 -4.605 1.00 0.00 H new ATOM 0 HA THR A 63 -7.235 4.068 -1.979 1.00 0.00 H new ATOM 0 HB THR A 63 -7.190 1.500 -3.548 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.945 3.288 -2.661 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.539 0.228 -1.462 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.931 0.990 -1.459 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.253 1.699 -0.502 1.00 0.00 H new ATOM 675 N LEU A 64 -5.174 3.210 -0.780 1.00 0.00 N ATOM 676 CA LEU A 64 -3.880 3.141 -0.123 1.00 0.00 C ATOM 677 C LEU A 64 -3.797 1.851 0.695 1.00 0.00 C ATOM 678 O LEU A 64 -4.623 1.616 1.576 1.00 0.00 O ATOM 679 CB LEU A 64 -3.627 4.407 0.697 1.00 0.00 C ATOM 680 CG LEU A 64 -4.774 4.859 1.603 1.00 0.00 C ATOM 681 CD1 LEU A 64 -4.358 4.819 3.075 1.00 0.00 C ATOM 682 CD2 LEU A 64 -5.288 6.241 1.190 1.00 0.00 C ATOM 0 H LEU A 64 -5.975 3.158 -0.150 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.079 3.103 -0.861 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.744 4.245 1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.391 5.220 0.010 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.601 4.159 1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.191 5.145 3.698 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.079 3.801 3.347 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.507 5.483 3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.103 6.538 1.850 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.478 6.967 1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.649 6.203 0.162 1.00 0.00 H new ATOM 693 N ASP A 65 -2.792 1.049 0.375 1.00 0.00 N ATOM 694 CA ASP A 65 -2.589 -0.211 1.070 1.00 0.00 C ATOM 695 C ASP A 65 -1.673 0.016 2.273 1.00 0.00 C ATOM 696 O ASP A 65 -1.418 1.157 2.657 1.00 0.00 O ATOM 697 CB ASP A 65 -1.925 -1.243 0.157 1.00 0.00 C ATOM 698 CG ASP A 65 -2.784 -2.466 -0.170 1.00 0.00 C ATOM 699 OD1 ASP A 65 -3.189 -3.150 0.794 1.00 0.00 O ATOM 700 OD2 ASP A 65 -3.016 -2.689 -1.378 1.00 0.00 O ATOM 0 H ASP A 65 -2.109 1.247 -0.356 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.564 -0.583 1.385 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.646 -0.754 -0.776 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.002 -1.582 0.628 1.00 0.00 H new ATOM 704 N GLN A 66 -1.203 -1.088 2.835 1.00 0.00 N ATOM 705 CA GLN A 66 -0.319 -1.023 3.987 1.00 0.00 C ATOM 706 C GLN A 66 0.656 0.148 3.843 1.00 0.00 C ATOM 707 O GLN A 66 1.086 0.729 4.839 1.00 0.00 O ATOM 708 CB GLN A 66 0.432 -2.341 4.177 1.00 0.00 C ATOM 709 CG GLN A 66 1.169 -2.366 5.518 1.00 0.00 C ATOM 710 CD GLN A 66 0.445 -3.258 6.527 1.00 0.00 C ATOM 711 OE1 GLN A 66 -0.698 -3.646 6.343 1.00 0.00 O ATOM 712 NE2 GLN A 66 1.169 -3.560 7.600 1.00 0.00 N ATOM 0 H GLN A 66 -1.417 -2.032 2.514 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.926 -0.858 4.877 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.270 -3.173 4.129 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.145 -2.478 3.364 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.186 -2.729 5.371 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.246 -1.353 5.913 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.120 -3.202 7.691 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.774 -4.150 8.332 1.00 0.00 H new ATOM 719 N ILE A 67 0.977 0.460 2.596 1.00 0.00 N ATOM 720 CA ILE A 67 1.893 1.549 2.309 1.00 0.00 C ATOM 721 C ILE A 67 1.097 2.845 2.126 1.00 0.00 C ATOM 722 O ILE A 67 0.476 3.054 1.086 1.00 0.00 O ATOM 723 CB ILE A 67 2.783 1.202 1.115 1.00 0.00 C ATOM 724 CG1 ILE A 67 1.941 0.771 -0.089 1.00 0.00 C ATOM 725 CG2 ILE A 67 3.823 0.146 1.495 1.00 0.00 C ATOM 726 CD1 ILE A 67 2.789 0.725 -1.362 1.00 0.00 C ATOM 0 H ILE A 67 0.618 -0.023 1.773 1.00 0.00 H new ATOM 0 HA ILE A 67 2.572 1.705 3.148 1.00 0.00 H new ATOM 0 HB ILE A 67 3.328 2.099 0.822 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.507 -0.211 0.099 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.112 1.465 -0.225 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.443 -0.083 0.628 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.451 0.527 2.300 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.317 -0.760 1.828 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.167 0.416 -2.202 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.202 1.714 -1.560 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.603 0.012 -1.231 1.00 0.00 H new ATOM 737 N GLY A 68 1.142 3.678 3.154 1.00 0.00 N ATOM 738 CA GLY A 68 0.433 4.946 3.121 1.00 0.00 C ATOM 739 C GLY A 68 0.379 5.506 1.698 1.00 0.00 C ATOM 740 O GLY A 68 -0.633 6.073 1.288 1.00 0.00 O ATOM 0 H GLY A 68 1.658 3.500 4.015 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.580 4.811 3.501 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.928 5.661 3.779 1.00 0.00 H new ATOM 744 N THR A 69 1.480 5.329 0.984 1.00 0.00 N ATOM 745 CA THR A 69 1.572 5.810 -0.384 1.00 0.00 C ATOM 746 C THR A 69 0.294 5.470 -1.155 1.00 0.00 C ATOM 747 O THR A 69 0.031 4.303 -1.442 1.00 0.00 O ATOM 748 CB THR A 69 2.835 5.217 -1.010 1.00 0.00 C ATOM 749 OG1 THR A 69 3.881 6.072 -0.557 1.00 0.00 O ATOM 750 CG2 THR A 69 2.862 5.370 -2.532 1.00 0.00 C ATOM 0 H THR A 69 2.317 4.859 1.327 1.00 0.00 H new ATOM 0 HA THR A 69 1.655 6.896 -0.417 1.00 0.00 H new ATOM 0 HB THR A 69 2.907 4.161 -0.750 1.00 0.00 H new ATOM 0 HG1 THR A 69 4.738 5.759 -0.915 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.780 4.932 -2.925 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.002 4.859 -2.964 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.824 6.428 -2.792 1.00 0.00 H new ATOM 758 N CYS A 70 -0.465 6.509 -1.468 1.00 0.00 N ATOM 759 CA CYS A 70 -1.708 6.335 -2.199 1.00 0.00 C ATOM 760 C CYS A 70 -1.376 5.767 -3.581 1.00 0.00 C ATOM 761 O CYS A 70 -0.281 5.980 -4.097 1.00 0.00 O ATOM 762 CB CYS A 70 -2.497 7.642 -2.293 1.00 0.00 C ATOM 763 SG CYS A 70 -2.087 8.683 -3.741 1.00 0.00 S ATOM 0 H CYS A 70 -0.243 7.475 -1.229 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.353 5.637 -1.665 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -3.561 7.407 -2.322 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -2.323 8.221 -1.386 1.00 0.00 H new ATOM 0 HG CYS A 70 -2.814 9.760 -3.721 1.00 0.00 H new ATOM 767 N TRP A 71 -2.345 5.056 -4.141 1.00 0.00 N ATOM 768 CA TRP A 71 -2.169 4.456 -5.453 1.00 0.00 C ATOM 769 C TRP A 71 -3.211 5.064 -6.394 1.00 0.00 C ATOM 770 O TRP A 71 -4.377 5.203 -6.027 1.00 0.00 O ATOM 771 CB TRP A 71 -2.252 2.931 -5.374 1.00 0.00 C ATOM 772 CG TRP A 71 -1.060 2.278 -4.669 1.00 0.00 C ATOM 773 CD1 TRP A 71 -0.969 1.895 -3.389 1.00 0.00 C ATOM 774 CD2 TRP A 71 0.213 1.946 -5.262 1.00 0.00 C ATOM 775 NE1 TRP A 71 0.266 1.343 -3.114 1.00 0.00 N ATOM 776 CE2 TRP A 71 1.006 1.373 -4.289 1.00 0.00 C ATOM 777 CE3 TRP A 71 0.677 2.122 -6.577 1.00 0.00 C ATOM 778 CZ2 TRP A 71 2.313 0.932 -4.528 1.00 0.00 C ATOM 779 CZ3 TRP A 71 1.986 1.675 -6.800 1.00 0.00 C ATOM 780 CH2 TRP A 71 2.798 1.098 -5.830 1.00 0.00 C ATOM 0 H TRP A 71 -3.253 4.882 -3.710 1.00 0.00 H new ATOM 0 HA TRP A 71 -1.176 4.673 -5.847 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -3.167 2.654 -4.850 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -2.328 2.529 -6.384 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -1.762 2.004 -2.664 1.00 0.00 H new ATOM 0 HE1 TRP A 71 0.578 0.980 -2.213 1.00 0.00 H new ATOM 0 HE3 TRP A 71 0.073 2.566 -7.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 2.915 0.487 -3.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 2.393 1.786 -7.794 1.00 0.00 H new ATOM 0 HH2 TRP A 71 3.799 0.779 -6.080 1.00 0.00 H new ATOM 790 N PRO A 72 -2.742 5.420 -7.620 1.00 0.00 N ATOM 791 CA PRO A 72 -3.620 6.010 -8.615 1.00 0.00 C ATOM 792 C PRO A 72 -4.535 4.952 -9.235 1.00 0.00 C ATOM 793 O PRO A 72 -4.094 3.842 -9.533 1.00 0.00 O ATOM 794 CB PRO A 72 -2.690 6.656 -9.628 1.00 0.00 C ATOM 795 CG PRO A 72 -1.329 6.011 -9.415 1.00 0.00 C ATOM 796 CD PRO A 72 -1.367 5.271 -8.088 1.00 0.00 C ATOM 0 HA PRO A 72 -4.300 6.749 -8.190 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.045 6.491 -10.645 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.639 7.735 -9.479 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -1.101 5.323 -10.229 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.545 6.768 -9.408 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.103 4.221 -8.212 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -0.658 5.696 -7.377 1.00 0.00 H new ATOM 801 N GLN A 73 -5.792 5.331 -9.410 1.00 0.00 N ATOM 802 CA GLN A 73 -6.773 4.429 -9.989 1.00 0.00 C ATOM 803 C GLN A 73 -6.257 3.862 -11.313 1.00 0.00 C ATOM 804 O GLN A 73 -5.323 4.405 -11.902 1.00 0.00 O ATOM 805 CB GLN A 73 -8.119 5.131 -10.180 1.00 0.00 C ATOM 806 CG GLN A 73 -7.998 6.287 -11.175 1.00 0.00 C ATOM 807 CD GLN A 73 -8.028 5.774 -12.617 1.00 0.00 C ATOM 808 OE1 GLN A 73 -7.038 5.791 -13.330 1.00 0.00 O ATOM 809 NE2 GLN A 73 -9.215 5.317 -13.004 1.00 0.00 N ATOM 0 H GLN A 73 -6.154 6.251 -9.161 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.928 3.601 -9.298 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.859 4.415 -10.537 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.476 5.507 -9.221 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -8.814 6.993 -11.019 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.069 6.829 -10.997 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -10.003 5.332 -12.356 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.338 4.952 -13.948 1.00 0.00 H new ATOM 816 N SER A 74 -6.888 2.780 -11.743 1.00 0.00 N ATOM 817 CA SER A 74 -6.504 2.134 -12.987 1.00 0.00 C ATOM 818 C SER A 74 -7.499 1.023 -13.328 1.00 0.00 C ATOM 819 O SER A 74 -8.465 0.804 -12.599 1.00 0.00 O ATOM 820 CB SER A 74 -5.086 1.568 -12.898 1.00 0.00 C ATOM 821 OG SER A 74 -4.574 1.616 -11.570 1.00 0.00 O ATOM 0 H SER A 74 -7.663 2.334 -11.252 1.00 0.00 H new ATOM 0 HA SER A 74 -6.518 2.882 -13.780 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.085 0.536 -13.250 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.429 2.131 -13.560 1.00 0.00 H new ATOM 0 HG SER A 74 -3.834 0.980 -11.482 1.00 0.00 H new ATOM 826 N ALA A 75 -7.229 0.351 -14.438 1.00 0.00 N ATOM 827 CA ALA A 75 -8.088 -0.733 -14.885 1.00 0.00 C ATOM 828 C ALA A 75 -7.700 -2.020 -14.154 1.00 0.00 C ATOM 829 O ALA A 75 -6.577 -2.149 -13.672 1.00 0.00 O ATOM 830 CB ALA A 75 -7.986 -0.871 -16.405 1.00 0.00 C ATOM 0 H ALA A 75 -6.428 0.536 -15.041 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.130 -0.521 -14.647 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.630 -1.684 -16.741 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.301 0.060 -16.877 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.954 -1.087 -16.682 1.00 0.00 H new ATOM 836 N PRO A 76 -8.678 -2.963 -14.095 1.00 0.00 N ATOM 837 CA PRO A 76 -8.450 -4.236 -13.432 1.00 0.00 C ATOM 838 C PRO A 76 -7.571 -5.151 -14.288 1.00 0.00 C ATOM 839 O PRO A 76 -7.287 -4.841 -15.443 1.00 0.00 O ATOM 840 CB PRO A 76 -9.837 -4.805 -13.187 1.00 0.00 C ATOM 841 CG PRO A 76 -10.767 -4.060 -14.130 1.00 0.00 C ATOM 842 CD PRO A 76 -10.020 -2.844 -14.656 1.00 0.00 C ATOM 0 HA PRO A 76 -7.906 -4.130 -12.494 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.859 -5.877 -13.383 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -10.139 -4.664 -12.149 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -11.073 -4.705 -14.953 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.675 -3.755 -13.609 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -9.994 -2.836 -15.746 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.500 -1.917 -14.341 1.00 0.00 H new ATOM 847 N GLY A 77 -7.163 -6.258 -13.686 1.00 0.00 N ATOM 848 CA GLY A 77 -6.323 -7.220 -14.378 1.00 0.00 C ATOM 849 C GLY A 77 -5.099 -6.537 -14.990 1.00 0.00 C ATOM 850 O GLY A 77 -4.965 -6.471 -16.211 1.00 0.00 O ATOM 0 H GLY A 77 -7.399 -6.510 -12.726 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.002 -7.995 -13.682 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.898 -7.714 -15.161 1.00 0.00 H new ATOM 854 N ALA A 78 -4.235 -6.045 -14.113 1.00 0.00 N ATOM 855 CA ALA A 78 -3.025 -5.370 -14.553 1.00 0.00 C ATOM 856 C ALA A 78 -1.986 -5.414 -13.430 1.00 0.00 C ATOM 857 O ALA A 78 -1.936 -6.374 -12.663 1.00 0.00 O ATOM 858 CB ALA A 78 -3.365 -3.940 -14.977 1.00 0.00 C ATOM 0 H ALA A 78 -4.349 -6.100 -13.101 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.596 -5.874 -15.419 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.458 -3.433 -15.307 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.085 -3.964 -15.795 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.794 -3.402 -14.132 1.00 0.00 H new ATOM 864 N LEU A 79 -1.181 -4.363 -13.370 1.00 0.00 N ATOM 865 CA LEU A 79 -0.146 -4.270 -12.356 1.00 0.00 C ATOM 866 C LEU A 79 0.450 -2.861 -12.368 1.00 0.00 C ATOM 867 O LEU A 79 0.766 -2.327 -13.430 1.00 0.00 O ATOM 868 CB LEU A 79 0.891 -5.378 -12.544 1.00 0.00 C ATOM 869 CG LEU A 79 1.671 -5.350 -13.861 1.00 0.00 C ATOM 870 CD1 LEU A 79 2.704 -6.476 -13.911 1.00 0.00 C ATOM 871 CD2 LEU A 79 0.722 -5.389 -15.061 1.00 0.00 C ATOM 0 H LEU A 79 -1.225 -3.568 -14.008 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.570 -4.428 -11.365 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.604 -5.325 -11.721 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.384 -6.340 -12.465 1.00 0.00 H new ATOM 0 HG LEU A 79 2.218 -4.409 -13.913 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.244 -6.433 -14.857 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.407 -6.361 -13.086 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.198 -7.438 -13.825 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.301 -5.368 -15.984 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.128 -6.302 -15.026 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.059 -4.524 -15.029 1.00 0.00 H new ATOM 882 N VAL A 80 0.584 -2.299 -11.177 1.00 0.00 N ATOM 883 CA VAL A 80 1.136 -0.961 -11.037 1.00 0.00 C ATOM 884 C VAL A 80 2.472 -1.041 -10.296 1.00 0.00 C ATOM 885 O VAL A 80 2.609 -0.500 -9.200 1.00 0.00 O ATOM 886 CB VAL A 80 0.122 -0.046 -10.349 1.00 0.00 C ATOM 887 CG1 VAL A 80 0.782 1.258 -9.895 1.00 0.00 C ATOM 888 CG2 VAL A 80 -1.074 0.232 -11.261 1.00 0.00 C ATOM 0 H VAL A 80 0.320 -2.745 -10.299 1.00 0.00 H new ATOM 0 HA VAL A 80 1.334 -0.524 -12.016 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.248 -0.561 -9.462 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.040 1.891 -9.409 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.585 1.034 -9.192 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.192 1.779 -10.760 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.779 0.885 -10.747 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.730 0.717 -12.175 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.566 -0.708 -11.512 1.00 0.00 H new ATOM 898 N GLU A 81 3.422 -1.719 -10.923 1.00 0.00 N ATOM 899 CA GLU A 81 4.741 -1.875 -10.335 1.00 0.00 C ATOM 900 C GLU A 81 5.551 -0.588 -10.498 1.00 0.00 C ATOM 901 O GLU A 81 5.592 -0.009 -11.583 1.00 0.00 O ATOM 902 CB GLU A 81 5.477 -3.068 -10.952 1.00 0.00 C ATOM 903 CG GLU A 81 4.566 -4.294 -11.029 1.00 0.00 C ATOM 904 CD GLU A 81 5.361 -5.545 -11.406 1.00 0.00 C ATOM 905 OE1 GLU A 81 6.592 -5.405 -11.578 1.00 0.00 O ATOM 906 OE2 GLU A 81 4.722 -6.614 -11.513 1.00 0.00 O ATOM 0 H GLU A 81 3.304 -2.166 -11.832 1.00 0.00 H new ATOM 0 HA GLU A 81 4.622 -2.073 -9.270 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.827 -2.807 -11.951 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.359 -3.303 -10.357 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.074 -4.447 -10.068 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.781 -4.122 -11.765 1.00 0.00 H new ATOM 911 N ARG A 82 6.175 -0.177 -9.404 1.00 0.00 N ATOM 912 CA ARG A 82 6.981 1.032 -9.412 1.00 0.00 C ATOM 913 C ARG A 82 7.808 1.127 -8.128 1.00 0.00 C ATOM 914 O ARG A 82 7.463 0.518 -7.117 1.00 0.00 O ATOM 915 CB ARG A 82 6.104 2.279 -9.538 1.00 0.00 C ATOM 916 CG ARG A 82 5.218 2.453 -8.303 1.00 0.00 C ATOM 917 CD ARG A 82 4.984 3.935 -8.001 1.00 0.00 C ATOM 918 NE ARG A 82 3.589 4.305 -8.333 1.00 0.00 N ATOM 919 CZ ARG A 82 3.178 5.560 -8.560 1.00 0.00 C ATOM 920 NH1 ARG A 82 4.053 6.573 -8.493 1.00 0.00 N ATOM 921 NH2 ARG A 82 1.894 5.801 -8.854 1.00 0.00 N ATOM 0 H ARG A 82 6.139 -0.660 -8.506 1.00 0.00 H new ATOM 0 HA ARG A 82 7.646 0.981 -10.274 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.734 3.160 -9.665 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.481 2.201 -10.429 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.262 1.955 -8.464 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.687 1.973 -7.444 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.181 4.136 -6.948 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.678 4.546 -8.578 1.00 0.00 H new ATOM 0 HE ARG A 82 2.898 3.557 -8.393 1.00 0.00 H new ATOM 0 HH11 ARG A 82 5.031 6.388 -8.269 1.00 0.00 H new ATOM 0 HH12 ARG A 82 3.741 7.529 -8.666 1.00 0.00 H new ATOM 0 HH21 ARG A 82 1.229 5.029 -8.905 1.00 0.00 H new ATOM 0 HH22 ARG A 82 1.581 6.756 -9.027 1.00 0.00 H new ATOM 1166 N ALA A 99 8.122 -1.550 -5.202 1.00 0.00 N ATOM 1167 CA ALA A 99 6.966 -2.357 -4.851 1.00 0.00 C ATOM 1168 C ALA A 99 6.227 -2.763 -6.129 1.00 0.00 C ATOM 1169 O ALA A 99 6.473 -2.203 -7.196 1.00 0.00 O ATOM 1170 CB ALA A 99 6.073 -1.578 -3.884 1.00 0.00 C ATOM 0 HA ALA A 99 7.275 -3.271 -4.344 1.00 0.00 H new ATOM 0 HB1 ALA A 99 5.206 -2.184 -3.621 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.636 -1.339 -2.982 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.740 -0.655 -4.359 1.00 0.00 H new ATOM 1176 N TYR A 100 5.337 -3.731 -5.977 1.00 0.00 N ATOM 1177 CA TYR A 100 4.561 -4.218 -7.105 1.00 0.00 C ATOM 1178 C TYR A 100 3.154 -4.630 -6.665 1.00 0.00 C ATOM 1179 O TYR A 100 2.996 -5.410 -5.727 1.00 0.00 O ATOM 1180 CB TYR A 100 5.301 -5.452 -7.625 1.00 0.00 C ATOM 1181 CG TYR A 100 6.813 -5.414 -7.394 1.00 0.00 C ATOM 1182 CD1 TYR A 100 7.316 -5.462 -6.109 1.00 0.00 C ATOM 1183 CD2 TYR A 100 7.674 -5.332 -8.469 1.00 0.00 C ATOM 1184 CE1 TYR A 100 8.739 -5.427 -5.891 1.00 0.00 C ATOM 1185 CE2 TYR A 100 9.097 -5.296 -8.251 1.00 0.00 C ATOM 1186 CZ TYR A 100 9.560 -5.345 -6.973 1.00 0.00 C ATOM 1187 OH TYR A 100 10.903 -5.311 -6.767 1.00 0.00 O ATOM 0 H TYR A 100 5.135 -4.192 -5.090 1.00 0.00 H new ATOM 0 HA TYR A 100 4.458 -3.442 -7.863 1.00 0.00 H new ATOM 0 HB2 TYR A 100 4.892 -6.339 -7.141 1.00 0.00 H new ATOM 0 HB3 TYR A 100 5.109 -5.555 -8.693 1.00 0.00 H new ATOM 0 HD1 TYR A 100 6.642 -5.526 -5.267 1.00 0.00 H new ATOM 0 HD2 TYR A 100 7.281 -5.295 -9.474 1.00 0.00 H new ATOM 0 HE1 TYR A 100 9.145 -5.465 -4.891 1.00 0.00 H new ATOM 0 HE2 TYR A 100 9.781 -5.232 -9.084 1.00 0.00 H new ATOM 0 HH TYR A 100 11.365 -5.253 -7.629 1.00 0.00 H new ATOM 1196 N ARG A 101 2.167 -4.088 -7.364 1.00 0.00 N ATOM 1197 CA ARG A 101 0.780 -4.389 -7.058 1.00 0.00 C ATOM 1198 C ARG A 101 0.041 -4.830 -8.324 1.00 0.00 C ATOM 1199 O ARG A 101 0.128 -4.172 -9.359 1.00 0.00 O ATOM 1200 CB ARG A 101 0.071 -3.172 -6.460 1.00 0.00 C ATOM 1201 CG ARG A 101 -0.933 -3.596 -5.385 1.00 0.00 C ATOM 1202 CD ARG A 101 -1.855 -2.435 -5.010 1.00 0.00 C ATOM 1203 NE ARG A 101 -2.979 -2.929 -4.183 1.00 0.00 N ATOM 1204 CZ ARG A 101 -3.978 -2.157 -3.734 1.00 0.00 C ATOM 1205 NH1 ARG A 101 -4.001 -0.850 -4.032 1.00 0.00 N ATOM 1206 NH2 ARG A 101 -4.956 -2.691 -2.989 1.00 0.00 N ATOM 0 H ARG A 101 2.301 -3.442 -8.142 1.00 0.00 H new ATOM 0 HA ARG A 101 0.770 -5.197 -6.326 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.807 -2.494 -6.028 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -0.445 -2.623 -7.248 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -1.527 -4.435 -5.747 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -0.399 -3.942 -4.500 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.295 -1.677 -4.462 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -2.238 -1.958 -5.912 1.00 0.00 H new ATOM 0 HE ARG A 101 -2.994 -3.919 -3.940 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -3.258 -0.443 -4.600 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -4.761 -0.262 -3.690 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -4.940 -3.686 -2.763 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -5.716 -2.103 -2.648 1.00 0.00 H new ATOM 1217 N GLU A 102 -0.671 -5.940 -8.198 1.00 0.00 N ATOM 1218 CA GLU A 102 -1.425 -6.476 -9.318 1.00 0.00 C ATOM 1219 C GLU A 102 -2.904 -6.107 -9.188 1.00 0.00 C ATOM 1220 O GLU A 102 -3.417 -5.967 -8.079 1.00 0.00 O ATOM 1221 CB GLU A 102 -1.246 -7.991 -9.425 1.00 0.00 C ATOM 1222 CG GLU A 102 0.230 -8.358 -9.603 1.00 0.00 C ATOM 1223 CD GLU A 102 0.462 -9.845 -9.326 1.00 0.00 C ATOM 1224 OE1 GLU A 102 0.047 -10.653 -10.184 1.00 0.00 O ATOM 1225 OE2 GLU A 102 1.051 -10.138 -8.263 1.00 0.00 O ATOM 0 H GLU A 102 -0.742 -6.483 -7.337 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.039 -6.032 -10.236 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -1.638 -8.471 -8.529 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.823 -8.370 -10.268 1.00 0.00 H new ATOM 0 HG2 GLU A 102 0.548 -8.119 -10.618 1.00 0.00 H new ATOM 0 HG3 GLU A 102 0.841 -7.759 -8.928 1.00 0.00 H new ATOM 1230 N CYS A 103 -3.547 -5.960 -10.338 1.00 0.00 N ATOM 1231 CA CYS A 103 -4.958 -5.609 -10.366 1.00 0.00 C ATOM 1232 C CYS A 103 -5.758 -6.865 -10.719 1.00 0.00 C ATOM 1233 O CYS A 103 -5.385 -7.608 -11.625 1.00 0.00 O ATOM 1234 CB CYS A 103 -5.236 -4.462 -11.339 1.00 0.00 C ATOM 1235 SG CYS A 103 -5.479 -2.829 -10.552 1.00 0.00 S ATOM 0 H CYS A 103 -3.118 -6.077 -11.256 1.00 0.00 H new ATOM 0 HA CYS A 103 -5.266 -5.248 -9.385 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -4.406 -4.391 -12.041 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -6.125 -4.705 -11.920 1.00 0.00 H new ATOM 1239 N LEU A 104 -6.843 -7.062 -9.985 1.00 0.00 N ATOM 1240 CA LEU A 104 -7.698 -8.214 -10.210 1.00 0.00 C ATOM 1241 C LEU A 104 -8.728 -7.877 -11.290 1.00 0.00 C ATOM 1242 O LEU A 104 -9.102 -6.717 -11.456 1.00 0.00 O ATOM 1243 CB LEU A 104 -8.320 -8.685 -8.893 1.00 0.00 C ATOM 1244 CG LEU A 104 -8.102 -10.157 -8.535 1.00 0.00 C ATOM 1245 CD1 LEU A 104 -6.622 -10.442 -8.267 1.00 0.00 C ATOM 1246 CD2 LEU A 104 -8.988 -10.573 -7.360 1.00 0.00 C ATOM 0 H LEU A 104 -7.149 -6.443 -9.234 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.113 -9.056 -10.579 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.919 -8.072 -8.086 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.393 -8.497 -8.933 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.397 -10.764 -9.391 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -6.494 -11.495 -8.015 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.039 -10.209 -9.158 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.277 -9.826 -7.437 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.813 -11.623 -7.126 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -8.748 -9.963 -6.489 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -10.035 -10.430 -7.626 1.00 0.00 H new ATOM 1257 N GLU A 105 -9.157 -8.913 -11.996 1.00 0.00 N ATOM 1258 CA GLU A 105 -10.137 -8.742 -13.055 1.00 0.00 C ATOM 1259 C GLU A 105 -11.526 -8.503 -12.461 1.00 0.00 C ATOM 1260 O GLU A 105 -12.498 -8.332 -13.195 1.00 0.00 O ATOM 1261 CB GLU A 105 -10.142 -9.947 -13.997 1.00 0.00 C ATOM 1262 CG GLU A 105 -10.435 -11.239 -13.232 1.00 0.00 C ATOM 1263 CD GLU A 105 -9.470 -12.351 -13.645 1.00 0.00 C ATOM 1264 OE1 GLU A 105 -8.387 -12.422 -13.025 1.00 0.00 O ATOM 1265 OE2 GLU A 105 -9.836 -13.106 -14.572 1.00 0.00 O ATOM 0 H GLU A 105 -8.844 -9.874 -11.855 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.860 -7.866 -13.641 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -10.892 -9.802 -14.774 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -9.176 -10.027 -14.497 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.350 -11.059 -12.160 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -11.461 -11.554 -13.422 1.00 0.00 H new ATOM 1270 N ASN A 106 -11.576 -8.500 -11.137 1.00 0.00 N ATOM 1271 CA ASN A 106 -12.831 -8.286 -10.436 1.00 0.00 C ATOM 1272 C ASN A 106 -13.125 -6.785 -10.372 1.00 0.00 C ATOM 1273 O ASN A 106 -14.216 -6.380 -9.975 1.00 0.00 O ATOM 1274 CB ASN A 106 -12.757 -8.814 -9.001 1.00 0.00 C ATOM 1275 CG ASN A 106 -13.837 -9.868 -8.750 1.00 0.00 C ATOM 1276 OD1 ASN A 106 -13.609 -10.890 -8.124 1.00 0.00 O ATOM 1277 ND2 ASN A 106 -15.022 -9.562 -9.269 1.00 0.00 N ATOM 0 H ASN A 106 -10.768 -8.642 -10.531 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.614 -8.817 -10.977 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -11.773 -9.246 -8.818 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -12.878 -7.989 -8.299 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -15.809 -10.200 -9.154 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -15.144 -8.689 -9.782 1.00 0.00 H new ATOM 1283 N GLY A 107 -12.132 -6.004 -10.770 1.00 0.00 N ATOM 1284 CA GLY A 107 -12.271 -4.557 -10.762 1.00 0.00 C ATOM 1285 C GLY A 107 -11.569 -3.945 -9.549 1.00 0.00 C ATOM 1286 O GLY A 107 -11.713 -2.753 -9.280 1.00 0.00 O ATOM 0 H GLY A 107 -11.229 -6.345 -11.100 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -11.849 -4.143 -11.678 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -13.328 -4.290 -10.748 1.00 0.00 H new ATOM 1290 N THR A 108 -10.824 -4.787 -8.849 1.00 0.00 N ATOM 1291 CA THR A 108 -10.099 -4.343 -7.670 1.00 0.00 C ATOM 1292 C THR A 108 -8.674 -4.901 -7.678 1.00 0.00 C ATOM 1293 O THR A 108 -8.323 -5.704 -8.542 1.00 0.00 O ATOM 1294 CB THR A 108 -10.905 -4.754 -6.436 1.00 0.00 C ATOM 1295 OG1 THR A 108 -9.934 -5.317 -5.559 1.00 0.00 O ATOM 1296 CG2 THR A 108 -11.863 -5.913 -6.723 1.00 0.00 C ATOM 0 H THR A 108 -10.706 -5.775 -9.075 1.00 0.00 H new ATOM 0 HA THR A 108 -9.990 -3.259 -7.659 1.00 0.00 H new ATOM 0 HB THR A 108 -11.470 -3.897 -6.069 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.371 -5.609 -4.732 1.00 0.00 H new ATOM 0 HG21 THR A 108 -12.411 -6.166 -5.815 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.567 -5.619 -7.501 1.00 0.00 H new ATOM 0 HG23 THR A 108 -11.294 -6.781 -7.057 1.00 0.00 H new ATOM 1304 N TRP A 109 -7.893 -4.454 -6.707 1.00 0.00 N ATOM 1305 CA TRP A 109 -6.514 -4.898 -6.592 1.00 0.00 C ATOM 1306 C TRP A 109 -6.519 -6.304 -5.986 1.00 0.00 C ATOM 1307 O TRP A 109 -7.551 -6.972 -5.971 1.00 0.00 O ATOM 1308 CB TRP A 109 -5.683 -3.901 -5.782 1.00 0.00 C ATOM 1309 CG TRP A 109 -5.722 -2.472 -6.325 1.00 0.00 C ATOM 1310 CD1 TRP A 109 -6.642 -1.526 -6.091 1.00 0.00 C ATOM 1311 CD2 TRP A 109 -4.759 -1.859 -7.209 1.00 0.00 C ATOM 1312 NE1 TRP A 109 -6.344 -0.354 -6.756 1.00 0.00 N ATOM 1313 CE2 TRP A 109 -5.162 -0.564 -7.458 1.00 0.00 C ATOM 1314 CE3 TRP A 109 -3.586 -2.385 -7.779 1.00 0.00 C ATOM 1315 CZ2 TRP A 109 -4.449 0.316 -8.282 1.00 0.00 C ATOM 1316 CZ3 TRP A 109 -2.885 -1.493 -8.600 1.00 0.00 C ATOM 1317 CH2 TRP A 109 -3.277 -0.185 -8.861 1.00 0.00 C ATOM 0 H TRP A 109 -8.188 -3.789 -5.992 1.00 0.00 H new ATOM 0 HA TRP A 109 -6.040 -4.943 -7.573 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -6.041 -3.897 -4.752 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -4.648 -4.241 -5.758 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -7.508 -1.664 -5.461 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -6.890 0.507 -6.736 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -3.252 -3.396 -7.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -4.785 1.327 -8.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -1.976 -1.846 -9.063 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -2.680 0.442 -9.507 1.00 0.00 H new ATOM 1327 N ALA A 110 -5.354 -6.709 -5.502 1.00 0.00 N ATOM 1328 CA ALA A 110 -5.211 -8.022 -4.897 1.00 0.00 C ATOM 1329 C ALA A 110 -5.451 -7.913 -3.390 1.00 0.00 C ATOM 1330 O ALA A 110 -6.584 -7.723 -2.950 1.00 0.00 O ATOM 1331 CB ALA A 110 -3.830 -8.590 -5.229 1.00 0.00 C ATOM 0 H ALA A 110 -4.500 -6.151 -5.517 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.952 -8.713 -5.299 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -3.723 -9.575 -4.775 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.722 -8.675 -6.310 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -3.060 -7.925 -4.839 1.00 0.00 H new ATOM 1337 N SER A 111 -4.366 -8.038 -2.640 1.00 0.00 N ATOM 1338 CA SER A 111 -4.443 -7.955 -1.192 1.00 0.00 C ATOM 1339 C SER A 111 -3.571 -6.805 -0.685 1.00 0.00 C ATOM 1340 O SER A 111 -3.947 -6.101 0.251 1.00 0.00 O ATOM 1341 CB SER A 111 -4.015 -9.272 -0.541 1.00 0.00 C ATOM 1342 OG SER A 111 -5.000 -9.767 0.361 1.00 0.00 O ATOM 0 H SER A 111 -3.428 -8.196 -3.009 1.00 0.00 H new ATOM 0 HA SER A 111 -5.480 -7.764 -0.916 1.00 0.00 H new ATOM 0 HB2 SER A 111 -3.827 -10.015 -1.316 1.00 0.00 H new ATOM 0 HB3 SER A 111 -3.076 -9.124 -0.007 1.00 0.00 H new ATOM 0 HG SER A 111 -4.690 -10.609 0.754 1.00 0.00 H new ATOM 1347 N ARG A 112 -2.422 -6.649 -1.326 1.00 0.00 N ATOM 1348 CA ARG A 112 -1.493 -5.597 -0.953 1.00 0.00 C ATOM 1349 C ARG A 112 -0.265 -5.624 -1.865 1.00 0.00 C ATOM 1350 O ARG A 112 0.064 -6.661 -2.439 1.00 0.00 O ATOM 1351 CB ARG A 112 -1.042 -5.750 0.502 1.00 0.00 C ATOM 1352 CG ARG A 112 -0.368 -7.105 0.726 1.00 0.00 C ATOM 1353 CD ARG A 112 -0.284 -7.435 2.218 1.00 0.00 C ATOM 1354 NE ARG A 112 0.456 -8.701 2.416 1.00 0.00 N ATOM 1355 CZ ARG A 112 -0.051 -9.915 2.163 1.00 0.00 C ATOM 1356 NH1 ARG A 112 -1.304 -10.035 1.700 1.00 0.00 N ATOM 1357 NH2 ARG A 112 0.693 -11.009 2.371 1.00 0.00 N ATOM 0 H ARG A 112 -2.113 -7.235 -2.102 1.00 0.00 H new ATOM 0 HA ARG A 112 -2.011 -4.644 -1.063 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -0.349 -4.948 0.758 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -1.901 -5.653 1.165 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -0.928 -7.884 0.208 1.00 0.00 H new ATOM 0 HG3 ARG A 112 0.633 -7.093 0.296 1.00 0.00 H new ATOM 0 HD2 ARG A 112 0.215 -6.625 2.750 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -1.287 -7.521 2.637 1.00 0.00 H new ATOM 0 HE ARG A 112 1.412 -8.646 2.767 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -1.871 -9.202 1.541 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -1.690 -10.959 1.507 1.00 0.00 H new ATOM 0 HH21 ARG A 112 1.646 -10.918 2.722 1.00 0.00 H new ATOM 0 HH22 ARG A 112 0.306 -11.933 2.178 1.00 0.00 H new ATOM 1368 N VAL A 113 0.379 -4.470 -1.971 1.00 0.00 N ATOM 1369 CA VAL A 113 1.563 -4.349 -2.804 1.00 0.00 C ATOM 1370 C VAL A 113 2.677 -5.230 -2.233 1.00 0.00 C ATOM 1371 O VAL A 113 2.762 -5.420 -1.020 1.00 0.00 O ATOM 1372 CB VAL A 113 1.968 -2.878 -2.926 1.00 0.00 C ATOM 1373 CG1 VAL A 113 2.980 -2.680 -4.057 1.00 0.00 C ATOM 1374 CG2 VAL A 113 0.741 -1.986 -3.126 1.00 0.00 C ATOM 0 H VAL A 113 0.103 -3.612 -1.494 1.00 0.00 H new ATOM 0 HA VAL A 113 1.356 -4.701 -3.815 1.00 0.00 H new ATOM 0 HB VAL A 113 2.447 -2.584 -1.992 1.00 0.00 H new ATOM 0 HG11 VAL A 113 3.251 -1.626 -4.122 1.00 0.00 H new ATOM 0 HG12 VAL A 113 3.872 -3.272 -3.855 1.00 0.00 H new ATOM 0 HG13 VAL A 113 2.538 -3.000 -5.001 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.057 -0.946 -3.210 1.00 0.00 H new ATOM 0 HG22 VAL A 113 0.221 -2.282 -4.037 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.070 -2.094 -2.274 1.00 0.00 H new