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 30:sc= 0.0968 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.411 USER MOD Single : A 61 ASN : amide:sc= -0.988 K(o=-0.99,f=-1.9) USER MOD Single : A 62 THR OG1 : rot 51:sc= 0.172 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.093 X(o=-0.093,f=-0.05) 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= -3.33! C(o=-3.3!,f=-4.2!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 15:sc= -0.31 USER MOD Single : A 106 ASN : amide:sc= -0.254 X(o=-0.25,f=-0.055) USER MOD Single : A 108 THR OG1 : rot 180:sc= -1.21 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 591 N THR A 58 -15.561 -0.410 -13.494 1.00 0.00 N ATOM 592 CA THR A 58 -14.871 -1.645 -13.826 1.00 0.00 C ATOM 593 C THR A 58 -13.358 -1.461 -13.699 1.00 0.00 C ATOM 594 O THR A 58 -12.586 -2.238 -14.259 1.00 0.00 O ATOM 595 CB THR A 58 -15.317 -2.074 -15.225 1.00 0.00 C ATOM 596 OG1 THR A 58 -16.679 -2.458 -15.053 1.00 0.00 O ATOM 597 CG2 THR A 58 -14.625 -3.357 -15.691 1.00 0.00 C ATOM 0 HA THR A 58 -15.129 -2.442 -13.129 1.00 0.00 H new ATOM 0 HB THR A 58 -15.112 -1.272 -15.934 1.00 0.00 H new ATOM 0 HG1 THR A 58 -17.078 -1.933 -14.328 1.00 0.00 H new ATOM 0 HG21 THR A 58 -14.976 -3.618 -16.689 1.00 0.00 H new ATOM 0 HG22 THR A 58 -13.547 -3.200 -15.715 1.00 0.00 H new ATOM 0 HG23 THR A 58 -14.858 -4.168 -15.001 1.00 0.00 H new ATOM 605 N TYR A 59 -12.979 -0.429 -12.960 1.00 0.00 N ATOM 606 CA TYR A 59 -11.571 -0.133 -12.753 1.00 0.00 C ATOM 607 C TYR A 59 -11.210 -0.198 -11.268 1.00 0.00 C ATOM 608 O TYR A 59 -12.092 -0.193 -10.410 1.00 0.00 O ATOM 609 CB TYR A 59 -11.362 1.297 -13.254 1.00 0.00 C ATOM 610 CG TYR A 59 -10.641 1.384 -14.602 1.00 0.00 C ATOM 611 CD1 TYR A 59 -10.959 0.501 -15.613 1.00 0.00 C ATOM 612 CD2 TYR A 59 -9.674 2.348 -14.806 1.00 0.00 C ATOM 613 CE1 TYR A 59 -10.279 0.583 -16.880 1.00 0.00 C ATOM 614 CE2 TYR A 59 -8.996 2.430 -16.073 1.00 0.00 C ATOM 615 CZ TYR A 59 -9.333 1.544 -17.048 1.00 0.00 C ATOM 616 OH TYR A 59 -8.691 1.622 -18.245 1.00 0.00 O ATOM 0 H TYR A 59 -13.622 0.213 -12.497 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.946 -0.855 -13.278 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -12.332 1.787 -13.340 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -10.790 1.852 -12.511 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -11.717 -0.251 -15.455 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.426 3.040 -14.015 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.516 -0.104 -17.679 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.237 3.178 -16.245 1.00 0.00 H new ATOM 0 HH TYR A 59 -8.042 2.356 -18.221 1.00 0.00 H new ATOM 625 N CYS A 60 -9.912 -0.257 -11.009 1.00 0.00 N ATOM 626 CA CYS A 60 -9.423 -0.322 -9.642 1.00 0.00 C ATOM 627 C CYS A 60 -9.696 1.025 -8.970 1.00 0.00 C ATOM 628 O CYS A 60 -9.464 2.078 -9.563 1.00 0.00 O ATOM 629 CB CYS A 60 -7.941 -0.698 -9.589 1.00 0.00 C ATOM 630 SG CYS A 60 -7.462 -2.087 -10.679 1.00 0.00 S ATOM 0 H CYS A 60 -9.184 -0.261 -11.723 1.00 0.00 H new ATOM 0 HA CYS A 60 -9.949 -1.109 -9.101 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.349 0.177 -9.858 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.682 -0.955 -8.562 1.00 0.00 H new ATOM 634 N ASN A 61 -10.183 0.949 -7.741 1.00 0.00 N ATOM 635 CA ASN A 61 -10.489 2.150 -6.982 1.00 0.00 C ATOM 636 C ASN A 61 -9.226 2.630 -6.263 1.00 0.00 C ATOM 637 O ASN A 61 -8.348 1.829 -5.943 1.00 0.00 O ATOM 638 CB ASN A 61 -11.561 1.875 -5.924 1.00 0.00 C ATOM 639 CG ASN A 61 -11.754 3.088 -5.011 1.00 0.00 C ATOM 640 OD1 ASN A 61 -11.250 3.150 -3.902 1.00 0.00 O ATOM 641 ND2 ASN A 61 -12.511 4.047 -5.539 1.00 0.00 N ATOM 0 H ASN A 61 -10.373 0.075 -7.251 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.855 2.905 -7.678 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.504 1.629 -6.412 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.275 1.008 -5.328 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -12.700 4.898 -5.009 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -12.903 3.931 -6.474 1.00 0.00 H new ATOM 647 N THR A 62 -9.176 3.932 -6.027 1.00 0.00 N ATOM 648 CA THR A 62 -8.036 4.527 -5.352 1.00 0.00 C ATOM 649 C THR A 62 -8.053 4.173 -3.864 1.00 0.00 C ATOM 650 O THR A 62 -9.072 4.334 -3.194 1.00 0.00 O ATOM 651 CB THR A 62 -8.062 6.034 -5.617 1.00 0.00 C ATOM 652 OG1 THR A 62 -7.035 6.553 -4.776 1.00 0.00 O ATOM 653 CG2 THR A 62 -9.339 6.697 -5.099 1.00 0.00 C ATOM 0 H THR A 62 -9.907 4.592 -6.291 1.00 0.00 H new ATOM 0 HA THR A 62 -7.097 4.130 -5.739 1.00 0.00 H new ATOM 0 HB THR A 62 -7.967 6.216 -6.688 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.207 6.049 -4.921 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.307 7.765 -5.312 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.204 6.255 -5.592 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.417 6.544 -4.023 1.00 0.00 H new ATOM 661 N THR A 63 -6.912 3.694 -3.389 1.00 0.00 N ATOM 662 CA THR A 63 -6.782 3.315 -1.993 1.00 0.00 C ATOM 663 C THR A 63 -5.311 3.103 -1.632 1.00 0.00 C ATOM 664 O THR A 63 -4.486 2.835 -2.504 1.00 0.00 O ATOM 665 CB THR A 63 -7.649 2.076 -1.757 1.00 0.00 C ATOM 666 OG1 THR A 63 -7.943 2.119 -0.363 1.00 0.00 O ATOM 667 CG2 THR A 63 -6.869 0.772 -1.934 1.00 0.00 C ATOM 0 H THR A 63 -6.069 3.560 -3.947 1.00 0.00 H new ATOM 0 HA THR A 63 -7.135 4.108 -1.334 1.00 0.00 H new ATOM 0 HB THR A 63 -8.494 2.088 -2.445 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.504 1.352 -0.123 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.531 -0.075 -1.755 1.00 0.00 H new ATOM 0 HG22 THR A 63 -6.476 0.718 -2.949 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.043 0.743 -1.224 1.00 0.00 H new ATOM 675 N LEU A 64 -5.026 3.232 -0.344 1.00 0.00 N ATOM 676 CA LEU A 64 -3.668 3.059 0.143 1.00 0.00 C ATOM 677 C LEU A 64 -3.635 1.903 1.146 1.00 0.00 C ATOM 678 O LEU A 64 -4.665 1.532 1.706 1.00 0.00 O ATOM 679 CB LEU A 64 -3.128 4.375 0.704 1.00 0.00 C ATOM 680 CG LEU A 64 -3.992 5.056 1.768 1.00 0.00 C ATOM 681 CD1 LEU A 64 -5.235 5.691 1.141 1.00 0.00 C ATOM 682 CD2 LEU A 64 -4.351 4.079 2.890 1.00 0.00 C ATOM 0 H LEU A 64 -5.713 3.454 0.377 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.000 2.791 -0.676 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.142 4.188 1.130 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.991 5.071 -0.124 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.411 5.862 2.216 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.831 6.168 1.919 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.931 6.438 0.407 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.829 4.920 0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.965 4.588 3.633 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.906 3.237 2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.438 3.715 3.362 1.00 0.00 H new ATOM 693 N ASP A 65 -2.440 1.365 1.342 1.00 0.00 N ATOM 694 CA ASP A 65 -2.258 0.261 2.267 1.00 0.00 C ATOM 695 C ASP A 65 -1.036 0.532 3.145 1.00 0.00 C ATOM 696 O ASP A 65 -0.667 1.684 3.363 1.00 0.00 O ATOM 697 CB ASP A 65 -2.021 -1.052 1.517 1.00 0.00 C ATOM 698 CG ASP A 65 -2.647 -2.289 2.163 1.00 0.00 C ATOM 699 OD1 ASP A 65 -3.887 -2.414 2.065 1.00 0.00 O ATOM 700 OD2 ASP A 65 -1.872 -3.081 2.741 1.00 0.00 O ATOM 0 H ASP A 65 -1.588 1.674 0.875 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.162 0.174 2.870 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.414 -0.951 0.505 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.947 -1.212 1.427 1.00 0.00 H new ATOM 704 N GLN A 66 -0.440 -0.550 3.626 1.00 0.00 N ATOM 705 CA GLN A 66 0.734 -0.443 4.475 1.00 0.00 C ATOM 706 C GLN A 66 1.712 0.584 3.903 1.00 0.00 C ATOM 707 O GLN A 66 2.497 1.178 4.640 1.00 0.00 O ATOM 708 CB GLN A 66 1.410 -1.805 4.650 1.00 0.00 C ATOM 709 CG GLN A 66 1.518 -2.177 6.131 1.00 0.00 C ATOM 710 CD GLN A 66 0.141 -2.504 6.716 1.00 0.00 C ATOM 711 OE1 GLN A 66 -0.450 -3.535 6.440 1.00 0.00 O ATOM 712 NE2 GLN A 66 -0.332 -1.571 7.537 1.00 0.00 N ATOM 0 H GLN A 66 -0.749 -1.505 3.444 1.00 0.00 H new ATOM 0 HA GLN A 66 0.415 -0.102 5.460 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.840 -2.569 4.120 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.404 -1.782 4.204 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.180 -3.036 6.247 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.966 -1.352 6.685 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.216 -0.731 7.724 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.243 -1.695 7.980 1.00 0.00 H new ATOM 719 N ILE A 67 1.633 0.763 2.591 1.00 0.00 N ATOM 720 CA ILE A 67 2.501 1.709 1.912 1.00 0.00 C ATOM 721 C ILE A 67 1.725 2.997 1.631 1.00 0.00 C ATOM 722 O ILE A 67 0.939 3.059 0.688 1.00 0.00 O ATOM 723 CB ILE A 67 3.110 1.073 0.661 1.00 0.00 C ATOM 724 CG1 ILE A 67 2.044 0.340 -0.156 1.00 0.00 C ATOM 725 CG2 ILE A 67 4.282 0.159 1.025 1.00 0.00 C ATOM 726 CD1 ILE A 67 2.596 -0.091 -1.517 1.00 0.00 C ATOM 0 H ILE A 67 0.981 0.269 1.982 1.00 0.00 H new ATOM 0 HA ILE A 67 3.344 1.977 2.549 1.00 0.00 H new ATOM 0 HB ILE A 67 3.507 1.870 0.032 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.698 -0.535 0.394 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.180 0.989 -0.299 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.696 -0.280 0.118 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.053 0.740 1.532 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.933 -0.635 1.685 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.818 -0.610 -2.077 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.919 0.789 -2.074 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.444 -0.759 -1.370 1.00 0.00 H new ATOM 737 N GLY A 68 1.973 3.994 2.468 1.00 0.00 N ATOM 738 CA GLY A 68 1.307 5.277 2.322 1.00 0.00 C ATOM 739 C GLY A 68 1.077 5.610 0.847 1.00 0.00 C ATOM 740 O GLY A 68 0.054 6.196 0.491 1.00 0.00 O ATOM 0 H GLY A 68 2.626 3.939 3.250 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.352 5.257 2.847 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.909 6.058 2.785 1.00 0.00 H new ATOM 744 N THR A 69 2.044 5.224 0.028 1.00 0.00 N ATOM 745 CA THR A 69 1.959 5.473 -1.401 1.00 0.00 C ATOM 746 C THR A 69 0.540 5.203 -1.907 1.00 0.00 C ATOM 747 O THR A 69 0.176 4.056 -2.161 1.00 0.00 O ATOM 748 CB THR A 69 3.024 4.621 -2.095 1.00 0.00 C ATOM 749 OG1 THR A 69 2.960 5.029 -3.458 1.00 0.00 O ATOM 750 CG2 THR A 69 2.654 3.138 -2.132 1.00 0.00 C ATOM 0 H THR A 69 2.891 4.740 0.327 1.00 0.00 H new ATOM 0 HA THR A 69 2.159 6.519 -1.632 1.00 0.00 H new ATOM 0 HB THR A 69 3.978 4.744 -1.583 1.00 0.00 H new ATOM 0 HG1 THR A 69 3.620 4.527 -3.981 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.443 2.579 -2.635 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.538 2.766 -1.114 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.717 3.010 -2.674 1.00 0.00 H new ATOM 758 N CYS A 70 -0.223 6.279 -2.037 1.00 0.00 N ATOM 759 CA CYS A 70 -1.593 6.173 -2.508 1.00 0.00 C ATOM 760 C CYS A 70 -1.566 5.701 -3.963 1.00 0.00 C ATOM 761 O CYS A 70 -0.750 6.169 -4.755 1.00 0.00 O ATOM 762 CB CYS A 70 -2.350 7.492 -2.349 1.00 0.00 C ATOM 763 SG CYS A 70 -3.905 7.606 -3.307 1.00 0.00 S ATOM 0 H CYS A 70 0.082 7.229 -1.824 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.133 5.446 -1.902 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.579 7.638 -1.293 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -1.694 8.309 -2.649 1.00 0.00 H new ATOM 0 HG CYS A 70 -4.462 8.762 -3.095 1.00 0.00 H new ATOM 767 N TRP A 71 -2.468 4.781 -4.270 1.00 0.00 N ATOM 768 CA TRP A 71 -2.558 4.241 -5.616 1.00 0.00 C ATOM 769 C TRP A 71 -3.843 4.774 -6.255 1.00 0.00 C ATOM 770 O TRP A 71 -4.940 4.498 -5.772 1.00 0.00 O ATOM 771 CB TRP A 71 -2.488 2.714 -5.600 1.00 0.00 C ATOM 772 CG TRP A 71 -1.222 2.155 -4.946 1.00 0.00 C ATOM 773 CD1 TRP A 71 -1.027 1.850 -3.656 1.00 0.00 C ATOM 774 CD2 TRP A 71 0.023 1.846 -5.607 1.00 0.00 C ATOM 775 NE1 TRP A 71 0.248 1.370 -3.437 1.00 0.00 N ATOM 776 CE2 TRP A 71 0.906 1.366 -4.661 1.00 0.00 C ATOM 777 CE3 TRP A 71 0.390 1.967 -6.958 1.00 0.00 C ATOM 778 CZ2 TRP A 71 2.213 0.970 -4.966 1.00 0.00 C ATOM 779 CZ3 TRP A 71 1.700 1.567 -7.247 1.00 0.00 C ATOM 780 CH2 TRP A 71 2.602 1.082 -6.306 1.00 0.00 C ATOM 0 H TRP A 71 -3.143 4.396 -3.610 1.00 0.00 H new ATOM 0 HA TRP A 71 -1.709 4.565 -6.218 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -3.359 2.326 -5.072 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -2.547 2.347 -6.625 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -1.774 1.965 -2.885 1.00 0.00 H new ATOM 0 HE1 TRP A 71 0.636 1.073 -2.542 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.285 2.339 -7.714 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 2.886 0.598 -4.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 2.033 1.640 -8.272 1.00 0.00 H new ATOM 0 HH2 TRP A 71 3.598 0.793 -6.608 1.00 0.00 H new ATOM 790 N PRO A 72 -3.659 5.548 -7.358 1.00 0.00 N ATOM 791 CA PRO A 72 -4.790 6.122 -8.066 1.00 0.00 C ATOM 792 C PRO A 72 -5.516 5.058 -8.891 1.00 0.00 C ATOM 793 O PRO A 72 -4.886 4.158 -9.446 1.00 0.00 O ATOM 794 CB PRO A 72 -4.198 7.232 -8.919 1.00 0.00 C ATOM 795 CG PRO A 72 -2.709 6.938 -9.011 1.00 0.00 C ATOM 796 CD PRO A 72 -2.373 5.896 -7.957 1.00 0.00 C ATOM 0 HA PRO A 72 -5.551 6.518 -7.393 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -4.654 7.250 -9.909 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -4.376 8.208 -8.468 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -2.453 6.571 -10.005 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -2.130 7.847 -8.847 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.894 5.024 -8.401 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.684 6.294 -7.212 1.00 0.00 H new ATOM 801 N GLN A 73 -6.833 5.195 -8.947 1.00 0.00 N ATOM 802 CA GLN A 73 -7.653 4.258 -9.696 1.00 0.00 C ATOM 803 C GLN A 73 -6.933 3.826 -10.974 1.00 0.00 C ATOM 804 O GLN A 73 -6.095 4.560 -11.497 1.00 0.00 O ATOM 805 CB GLN A 73 -9.023 4.859 -10.015 1.00 0.00 C ATOM 806 CG GLN A 73 -8.881 6.128 -10.857 1.00 0.00 C ATOM 807 CD GLN A 73 -8.627 5.785 -12.327 1.00 0.00 C ATOM 808 OE1 GLN A 73 -7.551 5.993 -12.862 1.00 0.00 O ATOM 809 NE2 GLN A 73 -9.676 5.250 -12.946 1.00 0.00 N ATOM 0 H GLN A 73 -7.353 5.941 -8.485 1.00 0.00 H new ATOM 0 HA GLN A 73 -7.816 3.375 -9.078 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -9.629 4.128 -10.551 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.548 5.090 -9.088 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -9.786 6.729 -10.771 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -8.059 6.733 -10.474 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -10.548 5.103 -12.438 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.608 4.987 -13.929 1.00 0.00 H new ATOM 816 N SER A 74 -7.284 2.636 -11.441 1.00 0.00 N ATOM 817 CA SER A 74 -6.681 2.097 -12.647 1.00 0.00 C ATOM 818 C SER A 74 -7.616 1.069 -13.286 1.00 0.00 C ATOM 819 O SER A 74 -8.768 0.932 -12.875 1.00 0.00 O ATOM 820 CB SER A 74 -5.320 1.465 -12.349 1.00 0.00 C ATOM 821 OG SER A 74 -5.125 1.251 -10.954 1.00 0.00 O ATOM 0 H SER A 74 -7.979 2.030 -11.005 1.00 0.00 H new ATOM 0 HA SER A 74 -6.523 2.918 -13.346 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.238 0.515 -12.876 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.529 2.111 -12.731 1.00 0.00 H new ATOM 0 HG SER A 74 -4.246 0.845 -10.805 1.00 0.00 H new ATOM 826 N ALA A 75 -7.086 0.370 -14.279 1.00 0.00 N ATOM 827 CA ALA A 75 -7.860 -0.643 -14.978 1.00 0.00 C ATOM 828 C ALA A 75 -7.588 -2.010 -14.347 1.00 0.00 C ATOM 829 O ALA A 75 -6.647 -2.164 -13.571 1.00 0.00 O ATOM 830 CB ALA A 75 -7.515 -0.609 -16.469 1.00 0.00 C ATOM 0 H ALA A 75 -6.130 0.485 -14.616 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.928 -0.444 -14.886 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.095 -1.368 -16.994 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.753 0.374 -16.875 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.452 -0.809 -16.601 1.00 0.00 H new ATOM 836 N PRO A 76 -8.453 -2.993 -14.715 1.00 0.00 N ATOM 837 CA PRO A 76 -8.316 -4.343 -14.194 1.00 0.00 C ATOM 838 C PRO A 76 -7.149 -5.073 -14.860 1.00 0.00 C ATOM 839 O PRO A 76 -6.808 -4.787 -16.008 1.00 0.00 O ATOM 840 CB PRO A 76 -9.659 -5.005 -14.458 1.00 0.00 C ATOM 841 CG PRO A 76 -10.336 -4.162 -15.526 1.00 0.00 C ATOM 842 CD PRO A 76 -9.579 -2.847 -15.632 1.00 0.00 C ATOM 0 HA PRO A 76 -8.080 -4.361 -13.130 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.528 -6.033 -14.796 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -10.261 -5.043 -13.550 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -10.332 -4.683 -16.483 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.379 -3.982 -15.266 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -9.239 -2.667 -16.652 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.210 -2.003 -15.353 1.00 0.00 H new ATOM 847 N GLY A 77 -6.566 -5.999 -14.113 1.00 0.00 N ATOM 848 CA GLY A 77 -5.445 -6.773 -14.618 1.00 0.00 C ATOM 849 C GLY A 77 -4.409 -5.864 -15.282 1.00 0.00 C ATOM 850 O GLY A 77 -3.941 -6.151 -16.383 1.00 0.00 O ATOM 0 H GLY A 77 -6.849 -6.231 -13.161 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.980 -7.324 -13.800 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.802 -7.511 -15.337 1.00 0.00 H new ATOM 854 N ALA A 78 -4.080 -4.785 -14.586 1.00 0.00 N ATOM 855 CA ALA A 78 -3.108 -3.833 -15.095 1.00 0.00 C ATOM 856 C ALA A 78 -1.761 -4.071 -14.409 1.00 0.00 C ATOM 857 O ALA A 78 -0.747 -3.501 -14.810 1.00 0.00 O ATOM 858 CB ALA A 78 -3.627 -2.410 -14.882 1.00 0.00 C ATOM 0 H ALA A 78 -4.470 -4.549 -13.673 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.962 -3.969 -16.166 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.898 -1.696 -15.264 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.571 -2.284 -15.413 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.783 -2.235 -13.817 1.00 0.00 H new ATOM 864 N LEU A 79 -1.793 -4.914 -13.387 1.00 0.00 N ATOM 865 CA LEU A 79 -0.587 -5.233 -12.642 1.00 0.00 C ATOM 866 C LEU A 79 0.258 -3.968 -12.481 1.00 0.00 C ATOM 867 O LEU A 79 1.102 -3.669 -13.325 1.00 0.00 O ATOM 868 CB LEU A 79 0.160 -6.392 -13.304 1.00 0.00 C ATOM 869 CG LEU A 79 0.616 -7.516 -12.372 1.00 0.00 C ATOM 870 CD1 LEU A 79 -0.379 -8.678 -12.385 1.00 0.00 C ATOM 871 CD2 LEU A 79 2.036 -7.972 -12.717 1.00 0.00 C ATOM 0 H LEU A 79 -2.635 -5.386 -13.058 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.839 -5.578 -11.639 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.484 -6.822 -14.071 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.037 -5.990 -13.812 1.00 0.00 H new ATOM 0 HG LEU A 79 0.641 -7.127 -11.354 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.030 -9.463 -11.714 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.355 -8.325 -12.054 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.461 -9.075 -13.397 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.336 -8.772 -12.040 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.061 -8.337 -13.744 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.723 -7.132 -12.614 1.00 0.00 H new ATOM 882 N VAL A 80 0.004 -3.259 -11.391 1.00 0.00 N ATOM 883 CA VAL A 80 0.731 -2.033 -11.108 1.00 0.00 C ATOM 884 C VAL A 80 2.122 -2.382 -10.578 1.00 0.00 C ATOM 885 O VAL A 80 2.462 -2.040 -9.445 1.00 0.00 O ATOM 886 CB VAL A 80 -0.074 -1.156 -10.147 1.00 0.00 C ATOM 887 CG1 VAL A 80 0.804 -0.064 -9.536 1.00 0.00 C ATOM 888 CG2 VAL A 80 -1.295 -0.554 -10.845 1.00 0.00 C ATOM 0 H VAL A 80 -0.696 -3.510 -10.693 1.00 0.00 H new ATOM 0 HA VAL A 80 0.867 -1.450 -12.019 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.432 -1.790 -9.336 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.207 0.545 -8.857 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.625 -0.523 -8.985 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.206 0.566 -10.329 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.849 0.065 -10.139 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.968 0.058 -11.686 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.938 -1.355 -11.208 1.00 0.00 H new ATOM 898 N GLU A 81 2.889 -3.057 -11.420 1.00 0.00 N ATOM 899 CA GLU A 81 4.238 -3.456 -11.049 1.00 0.00 C ATOM 900 C GLU A 81 5.193 -2.267 -11.163 1.00 0.00 C ATOM 901 O GLU A 81 5.356 -1.698 -12.242 1.00 0.00 O ATOM 902 CB GLU A 81 4.717 -4.630 -11.906 1.00 0.00 C ATOM 903 CG GLU A 81 4.385 -4.403 -13.381 1.00 0.00 C ATOM 904 CD GLU A 81 5.376 -5.138 -14.286 1.00 0.00 C ATOM 905 OE1 GLU A 81 6.589 -5.013 -14.018 1.00 0.00 O ATOM 906 OE2 GLU A 81 4.896 -5.809 -15.225 1.00 0.00 O ATOM 0 H GLU A 81 2.604 -3.338 -12.358 1.00 0.00 H new ATOM 0 HA GLU A 81 4.226 -3.788 -10.011 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.793 -4.756 -11.787 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.248 -5.552 -11.562 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.373 -4.750 -13.587 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.407 -3.336 -13.602 1.00 0.00 H new ATOM 911 N ARG A 82 5.800 -1.926 -10.036 1.00 0.00 N ATOM 912 CA ARG A 82 6.736 -0.815 -9.996 1.00 0.00 C ATOM 913 C ARG A 82 8.089 -1.279 -9.454 1.00 0.00 C ATOM 914 O ARG A 82 8.443 -0.974 -8.317 1.00 0.00 O ATOM 915 CB ARG A 82 6.204 0.321 -9.119 1.00 0.00 C ATOM 916 CG ARG A 82 6.665 1.681 -9.646 1.00 0.00 C ATOM 917 CD ARG A 82 5.536 2.711 -9.565 1.00 0.00 C ATOM 918 NE ARG A 82 4.399 2.284 -10.410 1.00 0.00 N ATOM 919 CZ ARG A 82 4.346 2.454 -11.738 1.00 0.00 C ATOM 920 NH1 ARG A 82 5.364 3.043 -12.380 1.00 0.00 N ATOM 921 NH2 ARG A 82 3.274 2.035 -12.425 1.00 0.00 N ATOM 0 H ARG A 82 5.662 -2.400 -9.143 1.00 0.00 H new ATOM 0 HA ARG A 82 6.857 -0.446 -11.015 1.00 0.00 H new ATOM 0 HB2 ARG A 82 5.115 0.287 -9.094 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.551 0.187 -8.094 1.00 0.00 H new ATOM 0 HG2 ARG A 82 7.521 2.028 -9.068 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.998 1.581 -10.679 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.209 2.824 -8.531 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.898 3.686 -9.893 1.00 0.00 H new ATOM 0 HE ARG A 82 3.607 1.832 -9.953 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.180 3.362 -11.858 1.00 0.00 H new ATOM 0 HH12 ARG A 82 5.323 3.172 -13.391 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.499 1.587 -11.937 1.00 0.00 H new ATOM 0 HH22 ARG A 82 3.234 2.164 -13.436 1.00 0.00 H new ATOM 1166 N ALA A 99 7.339 -1.257 -5.712 1.00 0.00 N ATOM 1167 CA ALA A 99 6.186 -1.960 -5.177 1.00 0.00 C ATOM 1168 C ALA A 99 5.583 -2.846 -6.268 1.00 0.00 C ATOM 1169 O ALA A 99 6.176 -3.019 -7.331 1.00 0.00 O ATOM 1170 CB ALA A 99 5.181 -0.946 -4.626 1.00 0.00 C ATOM 0 HA ALA A 99 6.480 -2.609 -4.352 1.00 0.00 H new ATOM 0 HB1 ALA A 99 4.315 -1.473 -4.224 1.00 0.00 H new ATOM 0 HB2 ALA A 99 5.650 -0.362 -3.834 1.00 0.00 H new ATOM 0 HB3 ALA A 99 4.861 -0.279 -5.427 1.00 0.00 H new ATOM 1176 N TYR A 100 4.410 -3.385 -5.966 1.00 0.00 N ATOM 1177 CA TYR A 100 3.720 -4.250 -6.908 1.00 0.00 C ATOM 1178 C TYR A 100 2.236 -4.373 -6.553 1.00 0.00 C ATOM 1179 O TYR A 100 1.869 -5.135 -5.660 1.00 0.00 O ATOM 1180 CB TYR A 100 4.379 -5.625 -6.779 1.00 0.00 C ATOM 1181 CG TYR A 100 3.710 -6.716 -7.617 1.00 0.00 C ATOM 1182 CD1 TYR A 100 2.664 -7.446 -7.090 1.00 0.00 C ATOM 1183 CD2 TYR A 100 4.152 -6.971 -8.899 1.00 0.00 C ATOM 1184 CE1 TYR A 100 2.033 -8.474 -7.878 1.00 0.00 C ATOM 1185 CE2 TYR A 100 3.521 -7.998 -9.688 1.00 0.00 C ATOM 1186 CZ TYR A 100 2.494 -8.699 -9.138 1.00 0.00 C ATOM 1187 OH TYR A 100 1.899 -9.669 -9.882 1.00 0.00 O ATOM 0 H TYR A 100 3.921 -3.239 -5.083 1.00 0.00 H new ATOM 0 HA TYR A 100 3.787 -3.848 -7.919 1.00 0.00 H new ATOM 0 HB2 TYR A 100 5.425 -5.544 -7.074 1.00 0.00 H new ATOM 0 HB3 TYR A 100 4.366 -5.926 -5.732 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.318 -7.247 -6.086 1.00 0.00 H new ATOM 0 HD2 TYR A 100 4.971 -6.401 -9.311 1.00 0.00 H new ATOM 0 HE1 TYR A 100 1.213 -9.052 -7.478 1.00 0.00 H new ATOM 0 HE2 TYR A 100 3.856 -8.206 -10.693 1.00 0.00 H new ATOM 0 HH TYR A 100 1.046 -9.920 -9.470 1.00 0.00 H new ATOM 1196 N ARG A 101 1.423 -3.613 -7.272 1.00 0.00 N ATOM 1197 CA ARG A 101 -0.011 -3.627 -7.043 1.00 0.00 C ATOM 1198 C ARG A 101 -0.716 -4.415 -8.150 1.00 0.00 C ATOM 1199 O ARG A 101 -1.045 -3.861 -9.198 1.00 0.00 O ATOM 1200 CB ARG A 101 -0.576 -2.205 -7.000 1.00 0.00 C ATOM 1201 CG ARG A 101 -0.868 -1.776 -5.561 1.00 0.00 C ATOM 1202 CD ARG A 101 -2.222 -1.070 -5.463 1.00 0.00 C ATOM 1203 NE ARG A 101 -3.127 -1.831 -4.574 1.00 0.00 N ATOM 1204 CZ ARG A 101 -3.073 -1.793 -3.236 1.00 0.00 C ATOM 1205 NH1 ARG A 101 -2.156 -1.032 -2.624 1.00 0.00 N ATOM 1206 NH2 ARG A 101 -3.935 -2.518 -2.509 1.00 0.00 N ATOM 0 H ARG A 101 1.731 -2.984 -8.013 1.00 0.00 H new ATOM 0 HA ARG A 101 -0.189 -4.106 -6.080 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.135 -1.513 -7.453 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.490 -2.155 -7.591 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.861 -2.649 -4.909 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -0.080 -1.110 -5.209 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -2.087 -0.059 -5.079 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -2.666 -0.978 -6.454 1.00 0.00 H new ATOM 0 HE ARG A 101 -3.837 -2.422 -5.007 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -1.499 -0.481 -3.177 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -2.115 -1.003 -1.605 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -4.632 -3.099 -2.975 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -3.894 -2.489 -1.490 1.00 0.00 H new ATOM 1217 N GLU A 102 -0.927 -5.694 -7.878 1.00 0.00 N ATOM 1218 CA GLU A 102 -1.588 -6.564 -8.837 1.00 0.00 C ATOM 1219 C GLU A 102 -3.105 -6.382 -8.761 1.00 0.00 C ATOM 1220 O GLU A 102 -3.704 -6.569 -7.704 1.00 0.00 O ATOM 1221 CB GLU A 102 -1.198 -8.025 -8.611 1.00 0.00 C ATOM 1222 CG GLU A 102 -1.227 -8.377 -7.122 1.00 0.00 C ATOM 1223 CD GLU A 102 -1.394 -9.883 -6.917 1.00 0.00 C ATOM 1224 OE1 GLU A 102 -2.376 -10.426 -7.469 1.00 0.00 O ATOM 1225 OE2 GLU A 102 -0.537 -10.458 -6.212 1.00 0.00 O ATOM 0 H GLU A 102 -0.652 -6.149 -7.008 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.259 -6.286 -9.838 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -1.882 -8.676 -9.155 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.200 -8.205 -9.011 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.305 -8.042 -6.648 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.046 -7.847 -6.636 1.00 0.00 H new ATOM 1230 N CYS A 103 -3.683 -6.022 -9.898 1.00 0.00 N ATOM 1231 CA CYS A 103 -5.119 -5.813 -9.974 1.00 0.00 C ATOM 1232 C CYS A 103 -5.744 -7.020 -10.675 1.00 0.00 C ATOM 1233 O CYS A 103 -5.193 -7.531 -11.649 1.00 0.00 O ATOM 1234 CB CYS A 103 -5.464 -4.501 -10.681 1.00 0.00 C ATOM 1235 SG CYS A 103 -6.224 -3.228 -9.610 1.00 0.00 S ATOM 0 H CYS A 103 -3.183 -5.870 -10.774 1.00 0.00 H new ATOM 0 HA CYS A 103 -5.529 -5.726 -8.968 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -4.554 -4.091 -11.119 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -6.145 -4.717 -11.504 1.00 0.00 H new ATOM 1239 N LEU A 104 -6.886 -7.443 -10.153 1.00 0.00 N ATOM 1240 CA LEU A 104 -7.591 -8.582 -10.717 1.00 0.00 C ATOM 1241 C LEU A 104 -8.379 -8.129 -11.948 1.00 0.00 C ATOM 1242 O LEU A 104 -8.675 -6.945 -12.099 1.00 0.00 O ATOM 1243 CB LEU A 104 -8.453 -9.259 -9.650 1.00 0.00 C ATOM 1244 CG LEU A 104 -7.796 -10.411 -8.888 1.00 0.00 C ATOM 1245 CD1 LEU A 104 -7.706 -11.664 -9.761 1.00 0.00 C ATOM 1246 CD2 LEU A 104 -6.429 -9.996 -8.338 1.00 0.00 C ATOM 0 H LEU A 104 -7.341 -7.017 -9.345 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.884 -9.341 -11.052 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.763 -8.503 -8.929 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.358 -9.635 -10.127 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.425 -10.658 -8.033 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.235 -12.468 -9.196 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -8.708 -11.970 -10.062 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.111 -11.447 -10.648 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.984 -10.833 -7.801 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.778 -9.706 -9.163 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.551 -9.152 -7.659 1.00 0.00 H new ATOM 1257 N GLU A 105 -8.695 -9.096 -12.797 1.00 0.00 N ATOM 1258 CA GLU A 105 -9.441 -8.812 -14.010 1.00 0.00 C ATOM 1259 C GLU A 105 -10.903 -8.505 -13.675 1.00 0.00 C ATOM 1260 O GLU A 105 -11.695 -8.193 -14.563 1.00 0.00 O ATOM 1261 CB GLU A 105 -9.339 -9.972 -15.002 1.00 0.00 C ATOM 1262 CG GLU A 105 -9.530 -9.485 -16.439 1.00 0.00 C ATOM 1263 CD GLU A 105 -8.637 -10.264 -17.407 1.00 0.00 C ATOM 1264 OE1 GLU A 105 -7.403 -10.197 -17.220 1.00 0.00 O ATOM 1265 OE2 GLU A 105 -9.209 -10.911 -18.311 1.00 0.00 O ATOM 0 H GLU A 105 -8.448 -10.077 -12.668 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.004 -7.933 -14.483 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -8.366 -10.454 -14.904 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -10.092 -10.724 -14.766 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.574 -9.600 -16.730 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.297 -8.422 -16.500 1.00 0.00 H new ATOM 1270 N ASN A 106 -11.214 -8.605 -12.391 1.00 0.00 N ATOM 1271 CA ASN A 106 -12.567 -8.342 -11.927 1.00 0.00 C ATOM 1272 C ASN A 106 -12.676 -6.880 -11.491 1.00 0.00 C ATOM 1273 O ASN A 106 -13.732 -6.440 -11.038 1.00 0.00 O ATOM 1274 CB ASN A 106 -12.918 -9.221 -10.726 1.00 0.00 C ATOM 1275 CG ASN A 106 -14.098 -10.140 -11.045 1.00 0.00 C ATOM 1276 OD1 ASN A 106 -14.061 -11.340 -10.825 1.00 0.00 O ATOM 1277 ND2 ASN A 106 -15.145 -9.513 -11.574 1.00 0.00 N ATOM 0 H ASN A 106 -10.554 -8.864 -11.658 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.253 -8.560 -12.746 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -12.052 -9.820 -10.444 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -13.163 -8.592 -9.870 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -15.983 -10.039 -11.822 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -15.110 -8.506 -11.732 1.00 0.00 H new ATOM 1283 N GLY A 107 -11.570 -6.166 -11.642 1.00 0.00 N ATOM 1284 CA GLY A 107 -11.528 -4.763 -11.268 1.00 0.00 C ATOM 1285 C GLY A 107 -11.401 -4.601 -9.752 1.00 0.00 C ATOM 1286 O GLY A 107 -12.120 -3.808 -9.146 1.00 0.00 O ATOM 0 H GLY A 107 -10.696 -6.533 -12.018 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -10.686 -4.277 -11.761 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -12.432 -4.263 -11.616 1.00 0.00 H new ATOM 1290 N THR A 108 -10.482 -5.366 -9.183 1.00 0.00 N ATOM 1291 CA THR A 108 -10.250 -5.318 -7.750 1.00 0.00 C ATOM 1292 C THR A 108 -8.756 -5.181 -7.454 1.00 0.00 C ATOM 1293 O THR A 108 -7.930 -5.253 -8.363 1.00 0.00 O ATOM 1294 CB THR A 108 -10.880 -6.567 -7.128 1.00 0.00 C ATOM 1295 OG1 THR A 108 -10.563 -7.610 -8.045 1.00 0.00 O ATOM 1296 CG2 THR A 108 -12.409 -6.516 -7.134 1.00 0.00 C ATOM 0 H THR A 108 -9.889 -6.023 -9.689 1.00 0.00 H new ATOM 0 HA THR A 108 -10.719 -4.441 -7.303 1.00 0.00 H new ATOM 0 HB THR A 108 -10.525 -6.681 -6.104 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.933 -8.457 -7.718 1.00 0.00 H new ATOM 0 HG21 THR A 108 -12.805 -7.425 -6.682 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.746 -5.651 -6.564 1.00 0.00 H new ATOM 0 HG23 THR A 108 -12.766 -6.436 -8.161 1.00 0.00 H new ATOM 1304 N TRP A 109 -8.453 -4.985 -6.180 1.00 0.00 N ATOM 1305 CA TRP A 109 -7.071 -4.836 -5.753 1.00 0.00 C ATOM 1306 C TRP A 109 -6.649 -6.133 -5.059 1.00 0.00 C ATOM 1307 O TRP A 109 -7.443 -7.064 -4.938 1.00 0.00 O ATOM 1308 CB TRP A 109 -6.901 -3.601 -4.867 1.00 0.00 C ATOM 1309 CG TRP A 109 -6.599 -2.316 -5.641 1.00 0.00 C ATOM 1310 CD1 TRP A 109 -7.218 -1.132 -5.547 1.00 0.00 C ATOM 1311 CD2 TRP A 109 -5.573 -2.136 -6.640 1.00 0.00 C ATOM 1312 NE1 TRP A 109 -6.668 -0.203 -6.407 1.00 0.00 N ATOM 1313 CE2 TRP A 109 -5.636 -0.832 -7.093 1.00 0.00 C ATOM 1314 CE3 TRP A 109 -4.623 -3.041 -7.143 1.00 0.00 C ATOM 1315 CZ2 TRP A 109 -4.775 -0.319 -8.070 1.00 0.00 C ATOM 1316 CZ3 TRP A 109 -3.771 -2.512 -8.120 1.00 0.00 C ATOM 1317 CH2 TRP A 109 -3.821 -1.204 -8.587 1.00 0.00 C ATOM 0 H TRP A 109 -9.140 -4.926 -5.429 1.00 0.00 H new ATOM 0 HA TRP A 109 -6.418 -4.671 -6.610 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -7.811 -3.457 -4.284 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -6.094 -3.784 -4.158 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -8.044 -0.929 -4.882 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -6.964 0.767 -6.518 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -4.555 -4.064 -6.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -4.843 0.705 -8.407 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -3.022 -3.167 -8.540 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -3.127 -0.872 -9.345 1.00 0.00 H new ATOM 1327 N ALA A 110 -5.399 -6.151 -4.620 1.00 0.00 N ATOM 1328 CA ALA A 110 -4.861 -7.318 -3.941 1.00 0.00 C ATOM 1329 C ALA A 110 -4.960 -7.112 -2.427 1.00 0.00 C ATOM 1330 O ALA A 110 -5.826 -6.380 -1.952 1.00 0.00 O ATOM 1331 CB ALA A 110 -3.424 -7.561 -4.403 1.00 0.00 C ATOM 0 H ALA A 110 -4.743 -5.376 -4.721 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.438 -8.208 -4.192 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -3.021 -8.436 -3.893 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.412 -7.730 -5.480 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.813 -6.690 -4.166 1.00 0.00 H new ATOM 1337 N SER A 111 -4.059 -7.771 -1.713 1.00 0.00 N ATOM 1338 CA SER A 111 -4.034 -7.670 -0.264 1.00 0.00 C ATOM 1339 C SER A 111 -2.832 -6.833 0.181 1.00 0.00 C ATOM 1340 O SER A 111 -2.988 -5.679 0.577 1.00 0.00 O ATOM 1341 CB SER A 111 -3.985 -9.055 0.385 1.00 0.00 C ATOM 1342 OG SER A 111 -5.065 -9.258 1.291 1.00 0.00 O ATOM 0 H SER A 111 -3.341 -8.377 -2.111 1.00 0.00 H new ATOM 0 HA SER A 111 -4.952 -7.179 0.060 1.00 0.00 H new ATOM 0 HB2 SER A 111 -4.014 -9.820 -0.391 1.00 0.00 H new ATOM 0 HB3 SER A 111 -3.040 -9.174 0.915 1.00 0.00 H new ATOM 0 HG SER A 111 -4.999 -10.154 1.683 1.00 0.00 H new ATOM 1347 N ARG A 112 -1.662 -7.449 0.102 1.00 0.00 N ATOM 1348 CA ARG A 112 -0.434 -6.775 0.492 1.00 0.00 C ATOM 1349 C ARG A 112 0.370 -6.379 -0.749 1.00 0.00 C ATOM 1350 O ARG A 112 0.736 -7.232 -1.555 1.00 0.00 O ATOM 1351 CB ARG A 112 0.426 -7.672 1.384 1.00 0.00 C ATOM 1352 CG ARG A 112 1.188 -6.844 2.422 1.00 0.00 C ATOM 1353 CD ARG A 112 2.683 -7.168 2.391 1.00 0.00 C ATOM 1354 NE ARG A 112 2.981 -8.269 3.333 1.00 0.00 N ATOM 1355 CZ ARG A 112 4.213 -8.734 3.579 1.00 0.00 C ATOM 1356 NH1 ARG A 112 5.270 -8.197 2.952 1.00 0.00 N ATOM 1357 NH2 ARG A 112 4.391 -9.737 4.450 1.00 0.00 N ATOM 0 H ARG A 112 -1.538 -8.407 -0.226 1.00 0.00 H new ATOM 0 HA ARG A 112 -0.708 -5.881 1.052 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -0.206 -8.402 1.889 1.00 0.00 H new ATOM 0 HB3 ARG A 112 1.132 -8.232 0.770 1.00 0.00 H new ATOM 0 HG2 ARG A 112 1.038 -5.782 2.227 1.00 0.00 H new ATOM 0 HG3 ARG A 112 0.789 -7.045 3.416 1.00 0.00 H new ATOM 0 HD2 ARG A 112 2.981 -7.451 1.382 1.00 0.00 H new ATOM 0 HD3 ARG A 112 3.261 -6.283 2.658 1.00 0.00 H new ATOM 0 HE ARG A 112 2.200 -8.701 3.826 1.00 0.00 H new ATOM 0 HH11 ARG A 112 5.136 -7.435 2.288 1.00 0.00 H new ATOM 0 HH12 ARG A 112 6.208 -8.551 3.139 1.00 0.00 H new ATOM 0 HH21 ARG A 112 3.588 -10.147 4.926 1.00 0.00 H new ATOM 0 HH22 ARG A 112 5.330 -10.090 4.636 1.00 0.00 H new ATOM 1368 N VAL A 113 0.622 -5.083 -0.861 1.00 0.00 N ATOM 1369 CA VAL A 113 1.376 -4.563 -1.989 1.00 0.00 C ATOM 1370 C VAL A 113 2.571 -3.760 -1.470 1.00 0.00 C ATOM 1371 O VAL A 113 2.396 -2.744 -0.799 1.00 0.00 O ATOM 1372 CB VAL A 113 0.458 -3.746 -2.901 1.00 0.00 C ATOM 1373 CG1 VAL A 113 1.271 -2.931 -3.908 1.00 0.00 C ATOM 1374 CG2 VAL A 113 -0.550 -4.651 -3.614 1.00 0.00 C ATOM 0 H VAL A 113 0.318 -4.378 -0.190 1.00 0.00 H new ATOM 0 HA VAL A 113 1.770 -5.379 -2.594 1.00 0.00 H new ATOM 0 HB VAL A 113 -0.100 -3.047 -2.278 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.595 -2.360 -4.544 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.932 -2.248 -3.374 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.867 -3.604 -4.524 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -1.191 -4.047 -4.256 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -0.016 -5.383 -4.220 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -1.161 -5.168 -2.874 1.00 0.00 H new