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= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -1.33 K(o=-1.3,f=-4.4!) USER MOD Single : A 62 THR OG1 : rot 54:sc= 0.19 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 CYS SG : rot -170:sc= -2.91 USER MOD Single : A 73 GLN : amide:sc= -0.796 X(o=-0.8,f=-0.53) USER MOD Single : A 74 SER OG : rot 136:sc= -0.234! USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -1.24 USER MOD Single : A 111 SER OG : rot 42:sc= 0.0397 USER MOD ----------------------------------------------------------------- ATOM 591 N THR A 58 -15.418 -0.965 -12.512 1.00 0.00 N ATOM 592 CA THR A 58 -14.843 -2.145 -13.137 1.00 0.00 C ATOM 593 C THR A 58 -13.319 -2.134 -12.997 1.00 0.00 C ATOM 594 O THR A 58 -12.683 -3.186 -13.018 1.00 0.00 O ATOM 595 CB THR A 58 -15.320 -2.191 -14.590 1.00 0.00 C ATOM 596 OG1 THR A 58 -16.406 -3.113 -14.570 1.00 0.00 O ATOM 597 CG2 THR A 58 -14.296 -2.841 -15.522 1.00 0.00 C ATOM 0 HA THR A 58 -15.177 -3.057 -12.642 1.00 0.00 H new ATOM 0 HB THR A 58 -15.533 -1.179 -14.934 1.00 0.00 H new ATOM 0 HG1 THR A 58 -16.776 -3.202 -15.473 1.00 0.00 H new ATOM 0 HG21 THR A 58 -14.684 -2.848 -16.541 1.00 0.00 H new ATOM 0 HG22 THR A 58 -13.366 -2.274 -15.492 1.00 0.00 H new ATOM 0 HG23 THR A 58 -14.108 -3.865 -15.198 1.00 0.00 H new ATOM 605 N TYR A 59 -12.779 -0.932 -12.859 1.00 0.00 N ATOM 606 CA TYR A 59 -11.342 -0.770 -12.717 1.00 0.00 C ATOM 607 C TYR A 59 -10.969 -0.431 -11.273 1.00 0.00 C ATOM 608 O TYR A 59 -11.772 0.144 -10.539 1.00 0.00 O ATOM 609 CB TYR A 59 -10.958 0.404 -13.619 1.00 0.00 C ATOM 610 CG TYR A 59 -11.850 1.637 -13.449 1.00 0.00 C ATOM 611 CD1 TYR A 59 -13.000 1.765 -14.200 1.00 0.00 C ATOM 612 CD2 TYR A 59 -11.502 2.620 -12.544 1.00 0.00 C ATOM 613 CE1 TYR A 59 -13.838 2.925 -14.040 1.00 0.00 C ATOM 614 CE2 TYR A 59 -12.341 3.779 -12.383 1.00 0.00 C ATOM 615 CZ TYR A 59 -13.467 3.874 -13.139 1.00 0.00 C ATOM 616 OH TYR A 59 -14.259 4.970 -12.987 1.00 0.00 O ATOM 0 H TYR A 59 -13.310 -0.062 -12.843 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.824 -1.690 -12.986 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.925 0.684 -13.413 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -10.999 0.079 -14.659 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -13.272 0.996 -14.908 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.601 2.520 -11.957 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -14.741 3.039 -14.622 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -12.082 4.555 -11.678 1.00 0.00 H new ATOM 0 HH TYR A 59 -13.871 5.562 -12.309 1.00 0.00 H new ATOM 625 N CYS A 60 -9.751 -0.802 -10.907 1.00 0.00 N ATOM 626 CA CYS A 60 -9.262 -0.545 -9.563 1.00 0.00 C ATOM 627 C CYS A 60 -9.681 0.872 -9.162 1.00 0.00 C ATOM 628 O CYS A 60 -9.781 1.756 -10.011 1.00 0.00 O ATOM 629 CB CYS A 60 -7.747 -0.740 -9.465 1.00 0.00 C ATOM 630 SG CYS A 60 -7.190 -2.479 -9.585 1.00 0.00 S ATOM 0 H CYS A 60 -9.088 -1.279 -11.518 1.00 0.00 H new ATOM 0 HA CYS A 60 -9.701 -1.263 -8.870 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.268 -0.164 -10.257 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.402 -0.327 -8.517 1.00 0.00 H new ATOM 634 N ASN A 61 -9.915 1.042 -7.870 1.00 0.00 N ATOM 635 CA ASN A 61 -10.322 2.335 -7.346 1.00 0.00 C ATOM 636 C ASN A 61 -9.134 2.991 -6.641 1.00 0.00 C ATOM 637 O ASN A 61 -8.088 2.366 -6.466 1.00 0.00 O ATOM 638 CB ASN A 61 -11.453 2.185 -6.327 1.00 0.00 C ATOM 639 CG ASN A 61 -12.163 3.521 -6.097 1.00 0.00 C ATOM 640 OD1 ASN A 61 -11.734 4.354 -5.315 1.00 0.00 O ATOM 641 ND2 ASN A 61 -13.269 3.679 -6.818 1.00 0.00 N ATOM 0 H ASN A 61 -9.831 0.306 -7.169 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.668 2.944 -8.181 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.170 1.444 -6.680 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.051 1.815 -5.384 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -13.814 4.537 -6.735 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.573 2.942 -7.454 1.00 0.00 H new ATOM 647 N THR A 62 -9.334 4.242 -6.253 1.00 0.00 N ATOM 648 CA THR A 62 -8.291 4.989 -5.570 1.00 0.00 C ATOM 649 C THR A 62 -8.377 4.766 -4.059 1.00 0.00 C ATOM 650 O THR A 62 -9.449 4.889 -3.469 1.00 0.00 O ATOM 651 CB THR A 62 -8.421 6.459 -5.975 1.00 0.00 C ATOM 652 OG1 THR A 62 -7.450 7.127 -5.173 1.00 0.00 O ATOM 653 CG2 THR A 62 -9.752 7.072 -5.535 1.00 0.00 C ATOM 0 H THR A 62 -10.202 4.757 -6.398 1.00 0.00 H new ATOM 0 HA THR A 62 -7.300 4.642 -5.862 1.00 0.00 H new ATOM 0 HB THR A 62 -8.320 6.548 -7.057 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.574 6.706 -5.301 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.793 8.116 -5.847 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.575 6.524 -5.994 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.838 7.014 -4.450 1.00 0.00 H new ATOM 661 N THR A 63 -7.232 4.439 -3.475 1.00 0.00 N ATOM 662 CA THR A 63 -7.165 4.197 -2.044 1.00 0.00 C ATOM 663 C THR A 63 -5.716 3.968 -1.611 1.00 0.00 C ATOM 664 O THR A 63 -4.845 3.724 -2.444 1.00 0.00 O ATOM 665 CB THR A 63 -8.089 3.022 -1.720 1.00 0.00 C ATOM 666 OG1 THR A 63 -8.103 2.974 -0.296 1.00 0.00 O ATOM 667 CG2 THR A 63 -7.490 1.675 -2.131 1.00 0.00 C ATOM 0 H THR A 63 -6.345 4.336 -3.967 1.00 0.00 H new ATOM 0 HA THR A 63 -7.508 5.064 -1.479 1.00 0.00 H new ATOM 0 HB THR A 63 -9.045 3.163 -2.224 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.681 2.240 0.001 1.00 0.00 H new ATOM 0 HG21 THR A 63 -8.186 0.875 -1.879 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.307 1.671 -3.205 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.550 1.518 -1.602 1.00 0.00 H new ATOM 675 N LEU A 64 -5.502 4.055 -0.306 1.00 0.00 N ATOM 676 CA LEU A 64 -4.173 3.862 0.249 1.00 0.00 C ATOM 677 C LEU A 64 -4.232 2.790 1.339 1.00 0.00 C ATOM 678 O LEU A 64 -4.938 2.949 2.334 1.00 0.00 O ATOM 679 CB LEU A 64 -3.592 5.193 0.727 1.00 0.00 C ATOM 680 CG LEU A 64 -4.521 6.065 1.575 1.00 0.00 C ATOM 681 CD1 LEU A 64 -4.337 5.774 3.066 1.00 0.00 C ATOM 682 CD2 LEU A 64 -4.328 7.548 1.252 1.00 0.00 C ATOM 0 H LEU A 64 -6.227 4.257 0.383 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.489 3.501 -0.519 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.692 4.987 1.306 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.285 5.767 -0.147 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.551 5.812 1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.009 6.407 3.646 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.565 4.727 3.263 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.306 5.981 3.353 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.000 8.145 1.868 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.297 7.834 1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.550 7.723 0.199 1.00 0.00 H new ATOM 693 N ASP A 65 -3.480 1.721 1.116 1.00 0.00 N ATOM 694 CA ASP A 65 -3.439 0.623 2.066 1.00 0.00 C ATOM 695 C ASP A 65 -2.315 0.871 3.075 1.00 0.00 C ATOM 696 O ASP A 65 -1.746 1.960 3.120 1.00 0.00 O ATOM 697 CB ASP A 65 -3.157 -0.705 1.362 1.00 0.00 C ATOM 698 CG ASP A 65 -1.688 -0.953 1.011 1.00 0.00 C ATOM 699 OD1 ASP A 65 -0.985 0.052 0.769 1.00 0.00 O ATOM 700 OD2 ASP A 65 -1.302 -2.142 0.993 1.00 0.00 O ATOM 0 H ASP A 65 -2.894 1.593 0.291 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.408 0.569 2.562 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.505 -1.518 2.000 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.746 -0.745 0.445 1.00 0.00 H new ATOM 704 N GLN A 66 -2.029 -0.159 3.859 1.00 0.00 N ATOM 705 CA GLN A 66 -0.984 -0.067 4.864 1.00 0.00 C ATOM 706 C GLN A 66 0.188 0.763 4.336 1.00 0.00 C ATOM 707 O GLN A 66 0.868 1.442 5.104 1.00 0.00 O ATOM 708 CB GLN A 66 -0.520 -1.457 5.301 1.00 0.00 C ATOM 709 CG GLN A 66 0.511 -1.363 6.428 1.00 0.00 C ATOM 710 CD GLN A 66 0.925 -2.754 6.911 1.00 0.00 C ATOM 711 OE1 GLN A 66 0.108 -3.639 7.109 1.00 0.00 O ATOM 712 NE2 GLN A 66 2.235 -2.897 7.088 1.00 0.00 N ATOM 0 H GLN A 66 -2.503 -1.061 3.818 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.393 0.435 5.741 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.377 -2.042 5.635 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.087 -1.984 4.451 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.389 -0.820 6.078 1.00 0.00 H new ATOM 0 HG3 GLN A 66 0.095 -0.794 7.260 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.863 -2.115 6.903 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.612 -3.789 7.408 1.00 0.00 H new ATOM 719 N ILE A 67 0.389 0.680 3.029 1.00 0.00 N ATOM 720 CA ILE A 67 1.467 1.414 2.390 1.00 0.00 C ATOM 721 C ILE A 67 0.950 2.781 1.936 1.00 0.00 C ATOM 722 O ILE A 67 0.246 2.881 0.933 1.00 0.00 O ATOM 723 CB ILE A 67 2.085 0.586 1.261 1.00 0.00 C ATOM 724 CG1 ILE A 67 2.484 -0.805 1.758 1.00 0.00 C ATOM 725 CG2 ILE A 67 3.260 1.324 0.619 1.00 0.00 C ATOM 726 CD1 ILE A 67 1.388 -1.830 1.457 1.00 0.00 C ATOM 0 H ILE A 67 -0.177 0.115 2.395 1.00 0.00 H new ATOM 0 HA ILE A 67 2.274 1.597 3.099 1.00 0.00 H new ATOM 0 HB ILE A 67 1.331 0.448 0.486 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.415 -1.112 1.282 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.671 -0.772 2.831 1.00 0.00 H new ATOM 0 HG21 ILE A 67 3.680 0.713 -0.180 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.913 2.272 0.207 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.025 1.514 1.372 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.697 -2.810 1.820 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.465 -1.533 1.955 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.221 -1.878 0.381 1.00 0.00 H new ATOM 737 N GLY A 68 1.318 3.800 2.700 1.00 0.00 N ATOM 738 CA GLY A 68 0.899 5.157 2.388 1.00 0.00 C ATOM 739 C GLY A 68 0.754 5.353 0.878 1.00 0.00 C ATOM 740 O GLY A 68 -0.170 6.024 0.422 1.00 0.00 O ATOM 0 H GLY A 68 1.901 3.714 3.533 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.051 5.370 2.879 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.627 5.866 2.782 1.00 0.00 H new ATOM 744 N THR A 69 1.683 4.758 0.145 1.00 0.00 N ATOM 745 CA THR A 69 1.671 4.859 -1.305 1.00 0.00 C ATOM 746 C THR A 69 0.248 4.685 -1.840 1.00 0.00 C ATOM 747 O THR A 69 -0.209 3.562 -2.046 1.00 0.00 O ATOM 748 CB THR A 69 2.658 3.830 -1.859 1.00 0.00 C ATOM 749 OG1 THR A 69 3.921 4.485 -1.784 1.00 0.00 O ATOM 750 CG2 THR A 69 2.459 3.574 -3.355 1.00 0.00 C ATOM 0 H THR A 69 2.449 4.204 0.528 1.00 0.00 H new ATOM 0 HA THR A 69 1.990 5.848 -1.635 1.00 0.00 H new ATOM 0 HB THR A 69 2.550 2.893 -1.313 1.00 0.00 H new ATOM 0 HG1 THR A 69 4.620 3.887 -2.122 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.185 2.836 -3.698 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.450 3.199 -3.529 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.600 4.504 -3.905 1.00 0.00 H new ATOM 758 N CYS A 70 -0.414 5.814 -2.049 1.00 0.00 N ATOM 759 CA CYS A 70 -1.775 5.801 -2.555 1.00 0.00 C ATOM 760 C CYS A 70 -1.719 5.662 -4.078 1.00 0.00 C ATOM 761 O CYS A 70 -0.729 6.037 -4.703 1.00 0.00 O ATOM 762 CB CYS A 70 -2.551 7.048 -2.124 1.00 0.00 C ATOM 763 SG CYS A 70 -4.371 6.900 -2.249 1.00 0.00 S ATOM 0 H CYS A 70 -0.032 6.744 -1.877 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.315 4.954 -2.133 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.290 7.283 -1.092 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -2.226 7.890 -2.735 1.00 0.00 H new ATOM 0 HG CYS A 70 -4.915 8.066 -2.064 1.00 0.00 H new ATOM 767 N TRP A 71 -2.796 5.123 -4.630 1.00 0.00 N ATOM 768 CA TRP A 71 -2.883 4.930 -6.069 1.00 0.00 C ATOM 769 C TRP A 71 -4.171 5.594 -6.558 1.00 0.00 C ATOM 770 O TRP A 71 -5.266 5.208 -6.150 1.00 0.00 O ATOM 771 CB TRP A 71 -2.801 3.445 -6.428 1.00 0.00 C ATOM 772 CG TRP A 71 -1.832 2.646 -5.555 1.00 0.00 C ATOM 773 CD1 TRP A 71 -1.839 2.513 -4.222 1.00 0.00 C ATOM 774 CD2 TRP A 71 -0.704 1.869 -6.011 1.00 0.00 C ATOM 775 NE1 TRP A 71 -0.804 1.711 -3.787 1.00 0.00 N ATOM 776 CE2 TRP A 71 -0.091 1.307 -4.910 1.00 0.00 C ATOM 777 CE3 TRP A 71 -0.217 1.650 -7.312 1.00 0.00 C ATOM 778 CZ2 TRP A 71 1.041 0.488 -4.997 1.00 0.00 C ATOM 779 CZ3 TRP A 71 0.915 0.829 -7.383 1.00 0.00 C ATOM 780 CH2 TRP A 71 1.543 0.256 -6.283 1.00 0.00 C ATOM 0 H TRP A 71 -3.616 4.814 -4.108 1.00 0.00 H new ATOM 0 HA TRP A 71 -2.038 5.398 -6.573 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -3.795 3.006 -6.344 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -2.497 3.350 -7.471 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -2.564 2.976 -3.569 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -0.600 1.461 -2.820 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.680 2.081 -8.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 1.502 0.059 -4.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 1.329 0.627 -8.360 1.00 0.00 H new ATOM 0 HH2 TRP A 71 2.415 -0.366 -6.420 1.00 0.00 H new ATOM 790 N PRO A 72 -3.994 6.607 -7.447 1.00 0.00 N ATOM 791 CA PRO A 72 -5.130 7.328 -7.997 1.00 0.00 C ATOM 792 C PRO A 72 -5.857 6.485 -9.048 1.00 0.00 C ATOM 793 O PRO A 72 -5.768 6.765 -10.243 1.00 0.00 O ATOM 794 CB PRO A 72 -4.544 8.610 -8.565 1.00 0.00 C ATOM 795 CG PRO A 72 -3.055 8.351 -8.729 1.00 0.00 C ATOM 796 CD PRO A 72 -2.713 7.090 -7.953 1.00 0.00 C ATOM 0 HA PRO A 72 -5.890 7.551 -7.248 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.005 8.860 -9.521 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -4.723 9.451 -7.895 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -2.802 8.231 -9.782 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -2.477 9.197 -8.357 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -2.235 6.348 -8.593 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -2.020 7.302 -7.139 1.00 0.00 H new ATOM 801 N GLN A 73 -6.561 5.472 -8.564 1.00 0.00 N ATOM 802 CA GLN A 73 -7.303 4.588 -9.446 1.00 0.00 C ATOM 803 C GLN A 73 -6.356 3.907 -10.435 1.00 0.00 C ATOM 804 O GLN A 73 -5.356 4.494 -10.848 1.00 0.00 O ATOM 805 CB GLN A 73 -8.409 5.349 -10.182 1.00 0.00 C ATOM 806 CG GLN A 73 -9.043 4.479 -11.269 1.00 0.00 C ATOM 807 CD GLN A 73 -8.488 4.836 -12.649 1.00 0.00 C ATOM 808 OE1 GLN A 73 -8.392 5.992 -13.028 1.00 0.00 O ATOM 809 NE2 GLN A 73 -8.131 3.782 -13.377 1.00 0.00 N ATOM 0 H GLN A 73 -6.633 5.244 -7.572 1.00 0.00 H new ATOM 0 HA GLN A 73 -7.779 3.818 -8.839 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -9.173 5.664 -9.472 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -7.997 6.254 -10.629 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -8.851 3.427 -11.057 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -10.125 4.613 -11.262 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.238 2.841 -12.999 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -7.750 3.915 -14.314 1.00 0.00 H new ATOM 816 N SER A 74 -6.702 2.677 -10.786 1.00 0.00 N ATOM 817 CA SER A 74 -5.895 1.909 -11.719 1.00 0.00 C ATOM 818 C SER A 74 -6.796 1.044 -12.602 1.00 0.00 C ATOM 819 O SER A 74 -8.002 0.959 -12.371 1.00 0.00 O ATOM 820 CB SER A 74 -4.880 1.036 -10.979 1.00 0.00 C ATOM 821 OG SER A 74 -4.383 1.673 -9.804 1.00 0.00 O ATOM 0 H SER A 74 -7.531 2.193 -10.441 1.00 0.00 H new ATOM 0 HA SER A 74 -5.343 2.607 -12.349 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.346 0.089 -10.708 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.049 0.803 -11.644 1.00 0.00 H new ATOM 0 HG SER A 74 -4.356 1.027 -9.068 1.00 0.00 H new ATOM 826 N ALA A 75 -6.177 0.422 -13.595 1.00 0.00 N ATOM 827 CA ALA A 75 -6.908 -0.434 -14.513 1.00 0.00 C ATOM 828 C ALA A 75 -6.883 -1.872 -13.992 1.00 0.00 C ATOM 829 O ALA A 75 -5.940 -2.273 -13.313 1.00 0.00 O ATOM 830 CB ALA A 75 -6.306 -0.310 -15.915 1.00 0.00 C ATOM 0 H ALA A 75 -5.177 0.494 -13.784 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.951 -0.126 -14.578 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.854 -0.952 -16.604 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.375 0.725 -16.250 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.260 -0.614 -15.890 1.00 0.00 H new ATOM 836 N PRO A 76 -7.960 -2.627 -14.340 1.00 0.00 N ATOM 837 CA PRO A 76 -8.070 -4.013 -13.915 1.00 0.00 C ATOM 838 C PRO A 76 -7.134 -4.911 -14.724 1.00 0.00 C ATOM 839 O PRO A 76 -6.882 -4.652 -15.900 1.00 0.00 O ATOM 840 CB PRO A 76 -9.538 -4.365 -14.098 1.00 0.00 C ATOM 841 CG PRO A 76 -10.100 -3.321 -15.051 1.00 0.00 C ATOM 842 CD PRO A 76 -9.095 -2.185 -15.144 1.00 0.00 C ATOM 0 HA PRO A 76 -7.765 -4.161 -12.879 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.651 -5.369 -14.507 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -10.066 -4.348 -13.144 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -10.275 -3.757 -16.035 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.060 -2.952 -14.690 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -8.800 -2.001 -16.177 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -9.513 -1.254 -14.761 1.00 0.00 H new ATOM 847 N GLY A 77 -6.644 -5.949 -14.063 1.00 0.00 N ATOM 848 CA GLY A 77 -5.741 -6.888 -14.707 1.00 0.00 C ATOM 849 C GLY A 77 -4.768 -6.162 -15.639 1.00 0.00 C ATOM 850 O GLY A 77 -4.456 -6.655 -16.722 1.00 0.00 O ATOM 0 H GLY A 77 -6.855 -6.161 -13.088 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.183 -7.439 -13.950 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.316 -7.620 -15.274 1.00 0.00 H new ATOM 854 N ALA A 78 -4.316 -5.003 -15.184 1.00 0.00 N ATOM 855 CA ALA A 78 -3.386 -4.204 -15.963 1.00 0.00 C ATOM 856 C ALA A 78 -2.001 -4.266 -15.316 1.00 0.00 C ATOM 857 O ALA A 78 -1.062 -3.627 -15.788 1.00 0.00 O ATOM 858 CB ALA A 78 -3.913 -2.772 -16.076 1.00 0.00 C ATOM 0 H ALA A 78 -4.577 -4.598 -14.285 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.295 -4.599 -16.975 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.215 -2.173 -16.661 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.885 -2.780 -16.568 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.014 -2.342 -15.080 1.00 0.00 H new ATOM 864 N LEU A 79 -1.918 -5.040 -14.244 1.00 0.00 N ATOM 865 CA LEU A 79 -0.664 -5.194 -13.527 1.00 0.00 C ATOM 866 C LEU A 79 -0.134 -3.814 -13.133 1.00 0.00 C ATOM 867 O LEU A 79 0.481 -3.125 -13.946 1.00 0.00 O ATOM 868 CB LEU A 79 0.327 -6.020 -14.350 1.00 0.00 C ATOM 869 CG LEU A 79 0.678 -7.400 -13.789 1.00 0.00 C ATOM 870 CD1 LEU A 79 1.430 -7.276 -12.463 1.00 0.00 C ATOM 871 CD2 LEU A 79 -0.571 -8.274 -13.660 1.00 0.00 C ATOM 0 H LEU A 79 -2.699 -5.567 -13.855 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.820 -5.752 -12.604 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.083 -6.150 -15.352 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.248 -5.447 -14.455 1.00 0.00 H new ATOM 0 HG LEU A 79 1.346 -7.896 -14.494 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.668 -8.270 -12.085 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.353 -6.717 -12.619 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.806 -6.752 -11.739 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.293 -9.249 -13.259 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.283 -7.795 -12.988 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.028 -8.402 -14.641 1.00 0.00 H new ATOM 882 N VAL A 80 -0.392 -3.450 -11.886 1.00 0.00 N ATOM 883 CA VAL A 80 0.051 -2.164 -11.374 1.00 0.00 C ATOM 884 C VAL A 80 1.389 -2.341 -10.652 1.00 0.00 C ATOM 885 O VAL A 80 1.495 -2.066 -9.458 1.00 0.00 O ATOM 886 CB VAL A 80 -1.032 -1.555 -10.483 1.00 0.00 C ATOM 887 CG1 VAL A 80 -0.507 -0.321 -9.747 1.00 0.00 C ATOM 888 CG2 VAL A 80 -2.285 -1.216 -11.295 1.00 0.00 C ATOM 0 H VAL A 80 -0.903 -4.023 -11.214 1.00 0.00 H new ATOM 0 HA VAL A 80 0.213 -1.462 -12.192 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.308 -2.299 -9.736 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.297 0.093 -9.120 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.341 -0.603 -9.123 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.190 0.428 -10.473 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.039 -0.784 -10.637 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.030 -0.498 -12.075 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.679 -2.124 -11.752 1.00 0.00 H new ATOM 898 N GLU A 81 2.376 -2.798 -11.409 1.00 0.00 N ATOM 899 CA GLU A 81 3.703 -3.015 -10.856 1.00 0.00 C ATOM 900 C GLU A 81 4.458 -1.688 -10.755 1.00 0.00 C ATOM 901 O GLU A 81 4.310 -0.819 -11.612 1.00 0.00 O ATOM 902 CB GLU A 81 4.485 -4.030 -11.692 1.00 0.00 C ATOM 903 CG GLU A 81 5.425 -4.856 -10.812 1.00 0.00 C ATOM 904 CD GLU A 81 6.864 -4.345 -10.915 1.00 0.00 C ATOM 905 OE1 GLU A 81 7.488 -4.616 -11.964 1.00 0.00 O ATOM 906 OE2 GLU A 81 7.307 -3.696 -9.944 1.00 0.00 O ATOM 0 H GLU A 81 2.284 -3.024 -12.399 1.00 0.00 H new ATOM 0 HA GLU A 81 3.596 -3.427 -9.852 1.00 0.00 H new ATOM 0 HB2 GLU A 81 3.791 -4.692 -12.210 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.061 -3.510 -12.457 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.092 -4.810 -9.775 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.385 -5.903 -11.113 1.00 0.00 H new ATOM 911 N ARG A 82 5.252 -1.576 -9.701 1.00 0.00 N ATOM 912 CA ARG A 82 6.031 -0.369 -9.476 1.00 0.00 C ATOM 913 C ARG A 82 6.804 -0.473 -8.160 1.00 0.00 C ATOM 914 O ARG A 82 6.364 -1.148 -7.231 1.00 0.00 O ATOM 915 CB ARG A 82 5.132 0.868 -9.436 1.00 0.00 C ATOM 916 CG ARG A 82 4.266 0.875 -8.177 1.00 0.00 C ATOM 917 CD ARG A 82 3.533 2.210 -8.022 1.00 0.00 C ATOM 918 NE ARG A 82 2.811 2.538 -9.271 1.00 0.00 N ATOM 919 CZ ARG A 82 3.324 3.277 -10.265 1.00 0.00 C ATOM 920 NH1 ARG A 82 4.566 3.769 -10.160 1.00 0.00 N ATOM 921 NH2 ARG A 82 2.596 3.523 -11.362 1.00 0.00 N ATOM 0 H ARG A 82 5.373 -2.300 -8.993 1.00 0.00 H new ATOM 0 HA ARG A 82 6.731 -0.268 -10.305 1.00 0.00 H new ATOM 0 HB2 ARG A 82 5.745 1.769 -9.465 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.495 0.888 -10.320 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.542 0.062 -8.225 1.00 0.00 H new ATOM 0 HG3 ARG A 82 4.890 0.695 -7.301 1.00 0.00 H new ATOM 0 HD2 ARG A 82 2.831 2.154 -7.190 1.00 0.00 H new ATOM 0 HD3 ARG A 82 4.245 3.000 -7.786 1.00 0.00 H new ATOM 0 HE ARG A 82 1.863 2.179 -9.383 1.00 0.00 H new ATOM 0 HH11 ARG A 82 5.120 3.581 -9.324 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.957 4.331 -10.916 1.00 0.00 H new ATOM 0 HH21 ARG A 82 1.651 3.148 -11.441 1.00 0.00 H new ATOM 0 HH22 ARG A 82 2.987 4.085 -12.118 1.00 0.00 H new ATOM 1166 N ALA A 99 8.298 -2.960 -6.050 1.00 0.00 N ATOM 1167 CA ALA A 99 7.015 -3.288 -5.455 1.00 0.00 C ATOM 1168 C ALA A 99 6.096 -3.878 -6.528 1.00 0.00 C ATOM 1169 O ALA A 99 6.451 -3.907 -7.705 1.00 0.00 O ATOM 1170 CB ALA A 99 6.420 -2.040 -4.801 1.00 0.00 C ATOM 0 HA ALA A 99 7.136 -4.039 -4.674 1.00 0.00 H new ATOM 0 HB1 ALA A 99 5.457 -2.287 -4.355 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.096 -1.677 -4.027 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.282 -1.265 -5.555 1.00 0.00 H new ATOM 1176 N TYR A 100 4.935 -4.333 -6.082 1.00 0.00 N ATOM 1177 CA TYR A 100 3.963 -4.919 -6.990 1.00 0.00 C ATOM 1178 C TYR A 100 2.541 -4.765 -6.445 1.00 0.00 C ATOM 1179 O TYR A 100 2.300 -4.983 -5.259 1.00 0.00 O ATOM 1180 CB TYR A 100 4.306 -6.408 -7.071 1.00 0.00 C ATOM 1181 CG TYR A 100 5.571 -6.710 -7.877 1.00 0.00 C ATOM 1182 CD1 TYR A 100 6.815 -6.500 -7.316 1.00 0.00 C ATOM 1183 CD2 TYR A 100 5.469 -7.195 -9.164 1.00 0.00 C ATOM 1184 CE1 TYR A 100 8.004 -6.785 -8.075 1.00 0.00 C ATOM 1185 CE2 TYR A 100 6.659 -7.481 -9.924 1.00 0.00 C ATOM 1186 CZ TYR A 100 7.868 -7.262 -9.341 1.00 0.00 C ATOM 1187 OH TYR A 100 8.992 -7.532 -10.057 1.00 0.00 O ATOM 0 H TYR A 100 4.645 -4.308 -5.104 1.00 0.00 H new ATOM 0 HA TYR A 100 4.001 -4.427 -7.962 1.00 0.00 H new ATOM 0 HB2 TYR A 100 4.429 -6.798 -6.061 1.00 0.00 H new ATOM 0 HB3 TYR A 100 3.466 -6.940 -7.518 1.00 0.00 H new ATOM 0 HD1 TYR A 100 6.896 -6.122 -6.308 1.00 0.00 H new ATOM 0 HD2 TYR A 100 4.496 -7.361 -9.603 1.00 0.00 H new ATOM 0 HE1 TYR A 100 8.983 -6.624 -7.648 1.00 0.00 H new ATOM 0 HE2 TYR A 100 6.593 -7.860 -10.933 1.00 0.00 H new ATOM 0 HH TYR A 100 8.743 -7.867 -10.943 1.00 0.00 H new ATOM 1196 N ARG A 101 1.637 -4.391 -7.338 1.00 0.00 N ATOM 1197 CA ARG A 101 0.246 -4.206 -6.962 1.00 0.00 C ATOM 1198 C ARG A 101 -0.677 -4.733 -8.062 1.00 0.00 C ATOM 1199 O ARG A 101 -1.714 -4.137 -8.346 1.00 0.00 O ATOM 1200 CB ARG A 101 -0.065 -2.729 -6.710 1.00 0.00 C ATOM 1201 CG ARG A 101 -0.375 -2.478 -5.233 1.00 0.00 C ATOM 1202 CD ARG A 101 -1.828 -2.038 -5.045 1.00 0.00 C ATOM 1203 NE ARG A 101 -2.455 -2.818 -3.954 1.00 0.00 N ATOM 1204 CZ ARG A 101 -2.131 -2.695 -2.660 1.00 0.00 C ATOM 1205 NH1 ARG A 101 -1.185 -1.823 -2.286 1.00 0.00 N ATOM 1206 NH2 ARG A 101 -2.752 -3.444 -1.739 1.00 0.00 N ATOM 0 H ARG A 101 1.841 -4.211 -8.321 1.00 0.00 H new ATOM 0 HA ARG A 101 0.075 -4.764 -6.042 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.784 -2.118 -7.016 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -0.915 -2.423 -7.321 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.189 -3.386 -4.659 1.00 0.00 H new ATOM 0 HG3 ARG A 101 0.294 -1.711 -4.842 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.867 -0.974 -4.812 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -2.383 -2.182 -5.972 1.00 0.00 H new ATOM 0 HE ARG A 101 -3.179 -3.491 -4.203 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -0.711 -1.253 -2.987 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -0.938 -1.729 -1.301 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -3.472 -4.108 -2.023 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -2.505 -3.350 -0.754 1.00 0.00 H new ATOM 1217 N GLU A 102 -0.266 -5.846 -8.652 1.00 0.00 N ATOM 1218 CA GLU A 102 -1.042 -6.461 -9.715 1.00 0.00 C ATOM 1219 C GLU A 102 -2.539 -6.286 -9.449 1.00 0.00 C ATOM 1220 O GLU A 102 -3.028 -6.641 -8.378 1.00 0.00 O ATOM 1221 CB GLU A 102 -0.682 -7.939 -9.873 1.00 0.00 C ATOM 1222 CG GLU A 102 -0.529 -8.615 -8.508 1.00 0.00 C ATOM 1223 CD GLU A 102 0.855 -9.249 -8.363 1.00 0.00 C ATOM 1224 OE1 GLU A 102 1.233 -10.003 -9.284 1.00 0.00 O ATOM 1225 OE2 GLU A 102 1.504 -8.965 -7.332 1.00 0.00 O ATOM 0 H GLU A 102 0.595 -6.338 -8.414 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.798 -5.960 -10.652 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -1.456 -8.446 -10.449 1.00 0.00 H new ATOM 0 HB3 GLU A 102 0.247 -8.033 -10.435 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.682 -7.882 -7.716 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.297 -9.379 -8.388 1.00 0.00 H new ATOM 1230 N CYS A 103 -3.224 -5.738 -10.443 1.00 0.00 N ATOM 1231 CA CYS A 103 -4.654 -5.511 -10.328 1.00 0.00 C ATOM 1232 C CYS A 103 -5.380 -6.752 -10.849 1.00 0.00 C ATOM 1233 O CYS A 103 -4.884 -7.437 -11.743 1.00 0.00 O ATOM 1234 CB CYS A 103 -5.086 -4.244 -11.070 1.00 0.00 C ATOM 1235 SG CYS A 103 -5.347 -2.781 -10.001 1.00 0.00 S ATOM 0 H CYS A 103 -2.815 -5.445 -11.330 1.00 0.00 H new ATOM 0 HA CYS A 103 -4.917 -5.349 -9.283 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -4.330 -4.001 -11.816 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -6.010 -4.452 -11.609 1.00 0.00 H new ATOM 1239 N LEU A 104 -6.543 -7.006 -10.269 1.00 0.00 N ATOM 1240 CA LEU A 104 -7.343 -8.153 -10.663 1.00 0.00 C ATOM 1241 C LEU A 104 -8.229 -7.769 -11.850 1.00 0.00 C ATOM 1242 O LEU A 104 -8.618 -6.610 -11.988 1.00 0.00 O ATOM 1243 CB LEU A 104 -8.123 -8.701 -9.466 1.00 0.00 C ATOM 1244 CG LEU A 104 -7.370 -9.689 -8.571 1.00 0.00 C ATOM 1245 CD1 LEU A 104 -6.722 -8.971 -7.386 1.00 0.00 C ATOM 1246 CD2 LEU A 104 -8.287 -10.827 -8.119 1.00 0.00 C ATOM 0 H LEU A 104 -6.951 -6.436 -9.528 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.700 -8.968 -10.995 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.447 -7.860 -8.853 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.023 -9.191 -9.837 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.566 -10.136 -9.156 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -6.194 -9.696 -6.766 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.017 -8.225 -7.754 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.493 -8.480 -6.792 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.728 -11.515 -7.485 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.126 -10.417 -7.558 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.661 -11.362 -8.992 1.00 0.00 H new ATOM 1257 N GLU A 105 -8.522 -8.763 -12.675 1.00 0.00 N ATOM 1258 CA GLU A 105 -9.356 -8.542 -13.845 1.00 0.00 C ATOM 1259 C GLU A 105 -10.828 -8.453 -13.439 1.00 0.00 C ATOM 1260 O GLU A 105 -11.702 -8.299 -14.290 1.00 0.00 O ATOM 1261 CB GLU A 105 -9.140 -9.643 -14.886 1.00 0.00 C ATOM 1262 CG GLU A 105 -9.654 -10.990 -14.376 1.00 0.00 C ATOM 1263 CD GLU A 105 -9.287 -12.119 -15.341 1.00 0.00 C ATOM 1264 OE1 GLU A 105 -9.497 -11.918 -16.556 1.00 0.00 O ATOM 1265 OE2 GLU A 105 -8.802 -13.158 -14.842 1.00 0.00 O ATOM 0 H GLU A 105 -8.197 -9.723 -12.557 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.068 -7.594 -14.300 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -9.654 -9.380 -15.810 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.079 -9.721 -15.123 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -9.231 -11.196 -13.393 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -10.736 -10.948 -14.255 1.00 0.00 H new ATOM 1270 N ASN A 106 -11.057 -8.555 -12.138 1.00 0.00 N ATOM 1271 CA ASN A 106 -12.409 -8.488 -11.609 1.00 0.00 C ATOM 1272 C ASN A 106 -12.695 -7.062 -11.133 1.00 0.00 C ATOM 1273 O ASN A 106 -13.769 -6.785 -10.603 1.00 0.00 O ATOM 1274 CB ASN A 106 -12.580 -9.428 -10.414 1.00 0.00 C ATOM 1275 CG ASN A 106 -13.970 -10.067 -10.415 1.00 0.00 C ATOM 1276 OD1 ASN A 106 -14.874 -9.649 -9.710 1.00 0.00 O ATOM 1277 ND2 ASN A 106 -14.089 -11.102 -11.242 1.00 0.00 N ATOM 0 H ASN A 106 -10.329 -8.683 -11.435 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.097 -8.783 -12.402 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -11.818 -10.206 -10.447 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -12.431 -8.875 -9.487 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -14.978 -11.598 -11.314 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -13.292 -11.400 -11.804 1.00 0.00 H new ATOM 1283 N GLY A 107 -11.716 -6.195 -11.342 1.00 0.00 N ATOM 1284 CA GLY A 107 -11.848 -4.804 -10.940 1.00 0.00 C ATOM 1285 C GLY A 107 -11.600 -4.641 -9.440 1.00 0.00 C ATOM 1286 O GLY A 107 -12.350 -3.946 -8.755 1.00 0.00 O ATOM 0 H GLY A 107 -10.827 -6.428 -11.785 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -11.140 -4.192 -11.498 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -12.846 -4.443 -11.189 1.00 0.00 H new ATOM 1290 N THR A 108 -10.545 -5.291 -8.972 1.00 0.00 N ATOM 1291 CA THR A 108 -10.189 -5.227 -7.566 1.00 0.00 C ATOM 1292 C THR A 108 -8.684 -4.996 -7.407 1.00 0.00 C ATOM 1293 O THR A 108 -7.907 -5.302 -8.309 1.00 0.00 O ATOM 1294 CB THR A 108 -10.682 -6.509 -6.893 1.00 0.00 C ATOM 1295 OG1 THR A 108 -10.360 -7.537 -7.827 1.00 0.00 O ATOM 1296 CG2 THR A 108 -12.206 -6.567 -6.786 1.00 0.00 C ATOM 0 H THR A 108 -9.925 -5.865 -9.543 1.00 0.00 H new ATOM 0 HA THR A 108 -10.670 -4.381 -7.075 1.00 0.00 H new ATOM 0 HB THR A 108 -10.246 -6.586 -5.897 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.644 -8.404 -7.470 1.00 0.00 H new ATOM 0 HG21 THR A 108 -12.502 -7.497 -6.301 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.562 -5.722 -6.197 1.00 0.00 H new ATOM 0 HG23 THR A 108 -12.643 -6.524 -7.784 1.00 0.00 H new ATOM 1304 N TRP A 109 -8.319 -4.460 -6.251 1.00 0.00 N ATOM 1305 CA TRP A 109 -6.922 -4.185 -5.962 1.00 0.00 C ATOM 1306 C TRP A 109 -6.249 -5.506 -5.585 1.00 0.00 C ATOM 1307 O TRP A 109 -6.833 -6.575 -5.752 1.00 0.00 O ATOM 1308 CB TRP A 109 -6.787 -3.113 -4.878 1.00 0.00 C ATOM 1309 CG TRP A 109 -6.388 -1.736 -5.411 1.00 0.00 C ATOM 1310 CD1 TRP A 109 -6.914 -0.545 -5.095 1.00 0.00 C ATOM 1311 CD2 TRP A 109 -5.350 -1.454 -6.374 1.00 0.00 C ATOM 1312 NE1 TRP A 109 -6.294 0.480 -5.780 1.00 0.00 N ATOM 1313 CE2 TRP A 109 -5.313 -0.091 -6.582 1.00 0.00 C ATOM 1314 CE3 TRP A 109 -4.471 -2.322 -7.046 1.00 0.00 C ATOM 1315 CZ2 TRP A 109 -4.415 0.527 -7.463 1.00 0.00 C ATOM 1316 CZ3 TRP A 109 -3.581 -1.690 -7.921 1.00 0.00 C ATOM 1317 CH2 TRP A 109 -3.530 -0.319 -8.142 1.00 0.00 C ATOM 0 H TRP A 109 -8.967 -4.209 -5.504 1.00 0.00 H new ATOM 0 HA TRP A 109 -6.419 -3.776 -6.839 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -7.735 -3.025 -4.348 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -6.044 -3.439 -4.150 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -7.722 -0.405 -4.392 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -6.515 1.473 -5.711 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -4.482 -3.392 -6.898 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -4.406 1.597 -7.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -2.884 -2.312 -8.463 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -2.811 0.092 -8.835 1.00 0.00 H new ATOM 1327 N ALA A 110 -5.028 -5.388 -5.082 1.00 0.00 N ATOM 1328 CA ALA A 110 -4.269 -6.561 -4.680 1.00 0.00 C ATOM 1329 C ALA A 110 -4.393 -6.747 -3.166 1.00 0.00 C ATOM 1330 O ALA A 110 -5.233 -6.118 -2.526 1.00 0.00 O ATOM 1331 CB ALA A 110 -2.815 -6.406 -5.130 1.00 0.00 C ATOM 0 H ALA A 110 -4.546 -4.500 -4.944 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.665 -7.458 -5.157 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -2.245 -7.285 -4.829 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -2.779 -6.304 -6.215 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.384 -5.518 -4.667 1.00 0.00 H new ATOM 1337 N SER A 111 -3.545 -7.617 -2.637 1.00 0.00 N ATOM 1338 CA SER A 111 -3.549 -7.896 -1.211 1.00 0.00 C ATOM 1339 C SER A 111 -2.651 -6.896 -0.480 1.00 0.00 C ATOM 1340 O SER A 111 -3.018 -6.385 0.577 1.00 0.00 O ATOM 1341 CB SER A 111 -3.089 -9.327 -0.928 1.00 0.00 C ATOM 1342 OG SER A 111 -2.130 -9.779 -1.882 1.00 0.00 O ATOM 0 H SER A 111 -2.850 -8.138 -3.171 1.00 0.00 H new ATOM 0 HA SER A 111 -4.571 -7.793 -0.845 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.658 -9.378 0.072 1.00 0.00 H new ATOM 0 HB3 SER A 111 -3.951 -9.993 -0.937 1.00 0.00 H new ATOM 0 HG SER A 111 -1.491 -9.060 -2.069 1.00 0.00 H new ATOM 1347 N ARG A 112 -1.493 -6.645 -1.073 1.00 0.00 N ATOM 1348 CA ARG A 112 -0.540 -5.715 -0.491 1.00 0.00 C ATOM 1349 C ARG A 112 0.568 -5.392 -1.495 1.00 0.00 C ATOM 1350 O ARG A 112 0.805 -6.156 -2.430 1.00 0.00 O ATOM 1351 CB ARG A 112 0.086 -6.291 0.781 1.00 0.00 C ATOM 1352 CG ARG A 112 -0.312 -5.469 2.009 1.00 0.00 C ATOM 1353 CD ARG A 112 0.502 -5.886 3.235 1.00 0.00 C ATOM 1354 NE ARG A 112 -0.033 -7.149 3.792 1.00 0.00 N ATOM 1355 CZ ARG A 112 -1.230 -7.263 4.383 1.00 0.00 C ATOM 1356 NH1 ARG A 112 -2.023 -6.191 4.499 1.00 0.00 N ATOM 1357 NH2 ARG A 112 -1.632 -8.449 4.858 1.00 0.00 N ATOM 0 H ARG A 112 -1.193 -7.070 -1.951 1.00 0.00 H new ATOM 0 HA ARG A 112 -1.081 -4.804 -0.236 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -0.234 -7.325 0.912 1.00 0.00 H new ATOM 0 HB3 ARG A 112 1.172 -6.303 0.683 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -0.156 -4.409 1.808 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -1.375 -5.602 2.211 1.00 0.00 H new ATOM 0 HD2 ARG A 112 1.549 -6.015 2.960 1.00 0.00 H new ATOM 0 HD3 ARG A 112 0.465 -5.101 3.991 1.00 0.00 H new ATOM 0 HE ARG A 112 0.546 -7.985 3.721 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -1.716 -5.288 4.138 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -2.934 -6.277 4.949 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -1.027 -9.265 4.770 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -2.543 -8.536 5.308 1.00 0.00 H new ATOM 1368 N VAL A 113 1.216 -4.260 -1.269 1.00 0.00 N ATOM 1369 CA VAL A 113 2.293 -3.827 -2.142 1.00 0.00 C ATOM 1370 C VAL A 113 3.593 -3.743 -1.340 1.00 0.00 C ATOM 1371 O VAL A 113 3.572 -3.786 -0.111 1.00 0.00 O ATOM 1372 CB VAL A 113 1.922 -2.504 -2.817 1.00 0.00 C ATOM 1373 CG1 VAL A 113 1.957 -1.349 -1.814 1.00 0.00 C ATOM 1374 CG2 VAL A 113 2.835 -2.222 -4.012 1.00 0.00 C ATOM 0 H VAL A 113 1.016 -3.629 -0.493 1.00 0.00 H new ATOM 0 HA VAL A 113 2.449 -4.552 -2.941 1.00 0.00 H new ATOM 0 HB VAL A 113 0.902 -2.593 -3.190 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.690 -0.421 -2.319 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.246 -1.543 -1.011 1.00 0.00 H new ATOM 0 HG13 VAL A 113 2.960 -1.259 -1.397 1.00 0.00 H new ATOM 0 HG21 VAL A 113 2.549 -1.276 -4.473 1.00 0.00 H new ATOM 0 HG22 VAL A 113 3.869 -2.163 -3.674 1.00 0.00 H new ATOM 0 HG23 VAL A 113 2.737 -3.025 -4.742 1.00 0.00 H new