USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 903 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 795 SER OG : rot -139:sc= 1.3 USER MOD Set 1.2: A 804 GLN : amide:sc= -0.811! C(o=0.49!,f=0.5!) USER MOD Single : A 775 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 776 GLN : amide:sc= -0.0533 X(o=-0.053,f=-0.053) USER MOD Single : A 781 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 786 GLN : amide:sc= -1.28! C(o=-1.3!,f=-5.8!) USER MOD Single : A 789 GLN : amide:sc= -1.04 K(o=-1,f=-5!) USER MOD Single : A 793 THR OG1 : rot 90:sc= 1.03 USER MOD Single : A 802 ASN : amide:sc= 0.0497 X(o=0.05,f=0) USER MOD Single : A 806 HIS : no HD1:sc= -1.91 K(o=-1.9,f=-0.14) USER MOD Single : A 808 SER OG : rot -79:sc= 1.15 USER MOD Single : A 810 TYR OH : rot 180:sc= 0 USER MOD Single : A 811 TYR OH : rot -83:sc= 1.22 USER MOD Single : A 817 THR OG1 : rot -44:sc= 0.271 USER MOD Single : A 823 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 826 TYR OH : rot 180:sc= 0 USER MOD Single : A 827 THR OG1 : rot 71:sc= 1.07 USER MOD Single : A 831 THR OG1 : rot 180:sc= 0.0502 USER MOD Single : A 832 SER OG : rot 180:sc= 0 USER MOD Single : A 839 GLN : amide:sc= -0.638 X(o=-0.64,f=-0.94) USER MOD Single : A 840 THR OG1 : rot 84:sc= 0.62 USER MOD Single : A 842 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 845 LYS NZ :NH3+ -135:sc= 2.45 (180deg=0.229) USER MOD Single : A 850 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 852 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 857 LYS NZ :NH3+ -127:sc= 1.19 (180deg=-0.205) USER MOD Single : A 858 GLN : amide:sc=-0.00238 X(o=-0.0024,f=0) USER MOD Single : A 860 CYS SG : rot 53:sc= -0.854! USER MOD Single : A 862 THR OG1 : rot 180:sc= 0 USER MOD Single : A 865 HIS : no HD1:sc= -0.622 K(o=-0.62,f=-0.11) USER MOD Single : A 870 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0163) USER MOD Single : A 877 LYS NZ :NH3+ -122:sc= 1.19 (180deg=0.494) USER MOD Single : A 878 TYR OH : rot 180:sc= 0 USER MOD Single : A 880 SER OG : rot 61:sc= 1.39 USER MOD Single : A 884 SER OG : rot 33:sc= 0.0714 USER MOD Single : A 885 TYR OH : rot 30:sc= -0.124 USER MOD Single : A 887 LYS NZ :NH3+ 154:sc= 0.822 (180deg=-0.195!) USER MOD Single : A 888 SER OG : rot 80:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 775 -43.790 -20.234 -10.191 1.00 0.00 N ATOM 2 CA MET A 775 -43.455 -21.654 -9.933 1.00 0.00 C ATOM 3 C MET A 775 -43.339 -22.425 -11.239 1.00 0.00 C ATOM 4 O MET A 775 -42.240 -22.781 -11.662 1.00 0.00 O ATOM 5 CB MET A 775 -44.520 -22.294 -9.041 1.00 0.00 C ATOM 6 CG MET A 775 -44.051 -23.558 -8.339 1.00 0.00 C ATOM 7 SD MET A 775 -44.692 -23.699 -6.659 1.00 0.00 S ATOM 8 CE MET A 775 -46.075 -24.812 -6.911 1.00 0.00 C ATOM 0 HA MET A 775 -42.493 -21.692 -9.422 1.00 0.00 H new ATOM 0 HB2 MET A 775 -44.837 -21.569 -8.291 1.00 0.00 H new ATOM 0 HB3 MET A 775 -45.395 -22.529 -9.647 1.00 0.00 H new ATOM 0 HG2 MET A 775 -44.364 -24.427 -8.917 1.00 0.00 H new ATOM 0 HG3 MET A 775 -42.961 -23.570 -8.310 1.00 0.00 H new ATOM 0 HE1 MET A 775 -46.573 -24.995 -5.959 1.00 0.00 H new ATOM 0 HE2 MET A 775 -46.781 -24.363 -7.609 1.00 0.00 H new ATOM 0 HE3 MET A 775 -45.713 -25.756 -7.318 1.00 0.00 H new ATOM 20 N GLN A 776 -44.473 -22.671 -11.879 1.00 0.00 N ATOM 21 CA GLN A 776 -44.498 -23.412 -13.126 1.00 0.00 C ATOM 22 C GLN A 776 -44.079 -22.511 -14.278 1.00 0.00 C ATOM 23 O GLN A 776 -44.664 -21.447 -14.478 1.00 0.00 O ATOM 24 CB GLN A 776 -45.894 -23.980 -13.378 1.00 0.00 C ATOM 25 CG GLN A 776 -45.955 -24.948 -14.545 1.00 0.00 C ATOM 26 CD GLN A 776 -45.221 -26.244 -14.268 1.00 0.00 C ATOM 27 OE1 GLN A 776 -44.071 -26.416 -14.673 1.00 0.00 O ATOM 28 NE2 GLN A 776 -45.875 -27.163 -13.575 1.00 0.00 N ATOM 0 H GLN A 776 -45.390 -22.366 -11.552 1.00 0.00 H new ATOM 0 HA GLN A 776 -43.794 -24.241 -13.055 1.00 0.00 H new ATOM 0 HB2 GLN A 776 -46.238 -24.488 -12.477 1.00 0.00 H new ATOM 0 HB3 GLN A 776 -46.584 -23.157 -13.563 1.00 0.00 H new ATOM 0 HG2 GLN A 776 -46.997 -25.168 -14.776 1.00 0.00 H new ATOM 0 HG3 GLN A 776 -45.526 -24.474 -15.428 1.00 0.00 H new ATOM 0 HE21 GLN A 776 -46.827 -26.981 -13.258 1.00 0.00 H new ATOM 0 HE22 GLN A 776 -45.427 -28.053 -13.358 1.00 0.00 H new ATOM 37 N GLU A 777 -43.020 -22.927 -14.977 1.00 0.00 N ATOM 38 CA GLU A 777 -42.501 -22.228 -16.160 1.00 0.00 C ATOM 39 C GLU A 777 -41.605 -21.064 -15.753 1.00 0.00 C ATOM 40 O GLU A 777 -40.567 -20.819 -16.365 1.00 0.00 O ATOM 41 CB GLU A 777 -43.634 -21.733 -17.061 1.00 0.00 C ATOM 42 CG GLU A 777 -43.844 -22.587 -18.295 1.00 0.00 C ATOM 43 CD GLU A 777 -43.077 -22.073 -19.491 1.00 0.00 C ATOM 44 OE1 GLU A 777 -42.910 -20.842 -19.614 1.00 0.00 O ATOM 45 OE2 GLU A 777 -42.639 -22.902 -20.318 1.00 0.00 O ATOM 0 H GLU A 777 -42.492 -23.766 -14.737 1.00 0.00 H new ATOM 0 HA GLU A 777 -41.907 -22.945 -16.727 1.00 0.00 H new ATOM 0 HB2 GLU A 777 -44.559 -21.707 -16.486 1.00 0.00 H new ATOM 0 HB3 GLU A 777 -43.421 -20.709 -17.369 1.00 0.00 H new ATOM 0 HG2 GLU A 777 -43.535 -23.610 -18.082 1.00 0.00 H new ATOM 0 HG3 GLU A 777 -44.907 -22.618 -18.535 1.00 0.00 H new ATOM 52 N ALA A 778 -42.004 -20.364 -14.705 1.00 0.00 N ATOM 53 CA ALA A 778 -41.232 -19.262 -14.176 1.00 0.00 C ATOM 54 C ALA A 778 -40.993 -19.477 -12.694 1.00 0.00 C ATOM 55 O ALA A 778 -41.892 -19.295 -11.871 1.00 0.00 O ATOM 56 CB ALA A 778 -41.940 -17.938 -14.423 1.00 0.00 C ATOM 0 H ALA A 778 -42.871 -20.546 -14.200 1.00 0.00 H new ATOM 0 HA ALA A 778 -40.271 -19.223 -14.689 1.00 0.00 H new ATOM 0 HB1 ALA A 778 -41.341 -17.123 -14.016 1.00 0.00 H new ATOM 0 HB2 ALA A 778 -42.073 -17.791 -15.495 1.00 0.00 H new ATOM 0 HB3 ALA A 778 -42.915 -17.950 -13.935 1.00 0.00 H new ATOM 62 N VAL A 779 -39.792 -19.912 -12.369 1.00 0.00 N ATOM 63 CA VAL A 779 -39.391 -20.117 -10.982 1.00 0.00 C ATOM 64 C VAL A 779 -39.262 -18.777 -10.265 1.00 0.00 C ATOM 65 O VAL A 779 -39.406 -18.699 -9.042 1.00 0.00 O ATOM 66 CB VAL A 779 -38.052 -20.876 -10.870 1.00 0.00 C ATOM 67 CG1 VAL A 779 -38.160 -22.003 -9.857 1.00 0.00 C ATOM 68 CG2 VAL A 779 -37.612 -21.427 -12.217 1.00 0.00 C ATOM 0 H VAL A 779 -39.067 -20.134 -13.051 1.00 0.00 H new ATOM 0 HA VAL A 779 -40.168 -20.722 -10.514 1.00 0.00 H new ATOM 0 HB VAL A 779 -37.298 -20.165 -10.531 1.00 0.00 H new ATOM 0 HG11 VAL A 779 -37.206 -22.526 -9.792 1.00 0.00 H new ATOM 0 HG12 VAL A 779 -38.415 -21.591 -8.881 1.00 0.00 H new ATOM 0 HG13 VAL A 779 -38.936 -22.701 -10.171 1.00 0.00 H new ATOM 0 HG21 VAL A 779 -36.666 -21.956 -12.102 1.00 0.00 H new ATOM 0 HG22 VAL A 779 -38.369 -22.115 -12.593 1.00 0.00 H new ATOM 0 HG23 VAL A 779 -37.486 -20.606 -12.922 1.00 0.00 H new ATOM 78 N LEU A 780 -38.987 -17.733 -11.048 1.00 0.00 N ATOM 79 CA LEU A 780 -38.879 -16.368 -10.539 1.00 0.00 C ATOM 80 C LEU A 780 -37.704 -16.243 -9.575 1.00 0.00 C ATOM 81 O LEU A 780 -36.734 -17.000 -9.659 1.00 0.00 O ATOM 82 CB LEU A 780 -40.186 -15.936 -9.853 1.00 0.00 C ATOM 83 CG LEU A 780 -41.438 -16.002 -10.731 1.00 0.00 C ATOM 84 CD1 LEU A 780 -42.609 -16.576 -9.946 1.00 0.00 C ATOM 85 CD2 LEU A 780 -41.792 -14.623 -11.268 1.00 0.00 C ATOM 0 H LEU A 780 -38.833 -17.812 -12.053 1.00 0.00 H new ATOM 0 HA LEU A 780 -38.701 -15.705 -11.386 1.00 0.00 H new ATOM 0 HB2 LEU A 780 -40.343 -16.566 -8.977 1.00 0.00 H new ATOM 0 HB3 LEU A 780 -40.068 -14.914 -9.494 1.00 0.00 H new ATOM 0 HG LEU A 780 -41.227 -16.658 -11.575 1.00 0.00 H new ATOM 0 HD11 LEU A 780 -43.491 -16.616 -10.585 1.00 0.00 H new ATOM 0 HD12 LEU A 780 -42.361 -17.582 -9.606 1.00 0.00 H new ATOM 0 HD13 LEU A 780 -42.814 -15.942 -9.083 1.00 0.00 H new ATOM 0 HD21 LEU A 780 -42.685 -14.693 -11.889 1.00 0.00 H new ATOM 0 HD22 LEU A 780 -41.982 -13.946 -10.435 1.00 0.00 H new ATOM 0 HD23 LEU A 780 -40.964 -14.241 -11.865 1.00 0.00 H new ATOM 97 N GLN A 781 -37.778 -15.272 -8.679 1.00 0.00 N ATOM 98 CA GLN A 781 -36.738 -15.072 -7.682 1.00 0.00 C ATOM 99 C GLN A 781 -37.302 -15.282 -6.285 1.00 0.00 C ATOM 100 O GLN A 781 -38.516 -15.227 -6.085 1.00 0.00 O ATOM 101 CB GLN A 781 -36.146 -13.664 -7.790 1.00 0.00 C ATOM 102 CG GLN A 781 -35.731 -13.278 -9.201 1.00 0.00 C ATOM 103 CD GLN A 781 -34.479 -12.426 -9.226 1.00 0.00 C ATOM 104 OE1 GLN A 781 -33.392 -12.909 -9.547 1.00 0.00 O ATOM 105 NE2 GLN A 781 -34.617 -11.156 -8.875 1.00 0.00 N ATOM 0 H GLN A 781 -38.550 -14.608 -8.622 1.00 0.00 H new ATOM 0 HA GLN A 781 -35.948 -15.800 -7.866 1.00 0.00 H new ATOM 0 HB2 GLN A 781 -36.879 -12.943 -7.427 1.00 0.00 H new ATOM 0 HB3 GLN A 781 -35.278 -13.594 -7.134 1.00 0.00 H new ATOM 0 HG2 GLN A 781 -35.563 -14.182 -9.787 1.00 0.00 H new ATOM 0 HG3 GLN A 781 -36.546 -12.735 -9.680 1.00 0.00 H new ATOM 0 HE21 GLN A 781 -35.535 -10.795 -8.616 1.00 0.00 H new ATOM 0 HE22 GLN A 781 -33.805 -10.539 -8.864 1.00 0.00 H new ATOM 114 N LEU A 782 -36.423 -15.533 -5.323 1.00 0.00 N ATOM 115 CA LEU A 782 -36.844 -15.667 -3.938 1.00 0.00 C ATOM 116 C LEU A 782 -37.353 -14.329 -3.417 1.00 0.00 C ATOM 117 O LEU A 782 -38.511 -14.208 -3.028 1.00 0.00 O ATOM 118 CB LEU A 782 -35.692 -16.180 -3.067 1.00 0.00 C ATOM 119 CG LEU A 782 -35.843 -15.930 -1.563 1.00 0.00 C ATOM 120 CD1 LEU A 782 -36.918 -16.828 -0.967 1.00 0.00 C ATOM 121 CD2 LEU A 782 -34.513 -16.143 -0.855 1.00 0.00 C ATOM 0 H LEU A 782 -35.421 -15.647 -5.477 1.00 0.00 H new ATOM 0 HA LEU A 782 -37.654 -16.395 -3.889 1.00 0.00 H new ATOM 0 HB2 LEU A 782 -35.585 -17.252 -3.231 1.00 0.00 H new ATOM 0 HB3 LEU A 782 -34.767 -15.712 -3.405 1.00 0.00 H new ATOM 0 HG LEU A 782 -36.152 -14.895 -1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 782 -37.005 -16.631 0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 782 -37.872 -16.625 -1.453 1.00 0.00 H new ATOM 0 HD13 LEU A 782 -36.647 -17.872 -1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 782 -34.636 -15.962 0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 782 -34.177 -17.168 -1.013 1.00 0.00 H new ATOM 0 HD23 LEU A 782 -33.772 -15.452 -1.257 1.00 0.00 H new ATOM 133 N ILE A 783 -36.491 -13.325 -3.432 1.00 0.00 N ATOM 134 CA ILE A 783 -36.865 -11.998 -2.983 1.00 0.00 C ATOM 135 C ILE A 783 -36.403 -10.951 -4.003 1.00 0.00 C ATOM 136 O ILE A 783 -37.216 -10.401 -4.741 1.00 0.00 O ATOM 137 CB ILE A 783 -36.295 -11.702 -1.566 1.00 0.00 C ATOM 138 CG1 ILE A 783 -36.283 -10.201 -1.283 1.00 0.00 C ATOM 139 CG2 ILE A 783 -34.899 -12.293 -1.398 1.00 0.00 C ATOM 140 CD1 ILE A 783 -37.118 -9.800 -0.085 1.00 0.00 C ATOM 0 H ILE A 783 -35.526 -13.406 -3.751 1.00 0.00 H new ATOM 0 HA ILE A 783 -37.951 -11.949 -2.908 1.00 0.00 H new ATOM 0 HB ILE A 783 -36.952 -12.180 -0.840 1.00 0.00 H new ATOM 0 HG12 ILE A 783 -35.254 -9.879 -1.122 1.00 0.00 H new ATOM 0 HG13 ILE A 783 -36.648 -9.672 -2.163 1.00 0.00 H new ATOM 0 HG21 ILE A 783 -34.527 -12.070 -0.398 1.00 0.00 H new ATOM 0 HG22 ILE A 783 -34.942 -13.373 -1.536 1.00 0.00 H new ATOM 0 HG23 ILE A 783 -34.228 -11.859 -2.140 1.00 0.00 H new ATOM 0 HD11 ILE A 783 -37.061 -8.720 0.053 1.00 0.00 H new ATOM 0 HD12 ILE A 783 -38.155 -10.090 -0.251 1.00 0.00 H new ATOM 0 HD13 ILE A 783 -36.740 -10.301 0.806 1.00 0.00 H new ATOM 152 N GLU A 784 -35.093 -10.723 -4.070 1.00 0.00 N ATOM 153 CA GLU A 784 -34.509 -9.753 -4.999 1.00 0.00 C ATOM 154 C GLU A 784 -32.990 -9.766 -4.872 1.00 0.00 C ATOM 155 O GLU A 784 -32.265 -9.636 -5.855 1.00 0.00 O ATOM 156 CB GLU A 784 -35.040 -8.339 -4.732 1.00 0.00 C ATOM 157 CG GLU A 784 -34.834 -7.868 -3.301 1.00 0.00 C ATOM 158 CD GLU A 784 -34.976 -6.373 -3.149 1.00 0.00 C ATOM 159 OE1 GLU A 784 -34.324 -5.628 -3.908 1.00 0.00 O ATOM 160 OE2 GLU A 784 -35.736 -5.937 -2.260 1.00 0.00 O ATOM 0 H GLU A 784 -34.408 -11.202 -3.486 1.00 0.00 H new ATOM 0 HA GLU A 784 -34.795 -10.038 -6.012 1.00 0.00 H new ATOM 0 HB2 GLU A 784 -34.547 -7.642 -5.409 1.00 0.00 H new ATOM 0 HB3 GLU A 784 -36.104 -8.310 -4.965 1.00 0.00 H new ATOM 0 HG2 GLU A 784 -35.556 -8.364 -2.653 1.00 0.00 H new ATOM 0 HG3 GLU A 784 -33.843 -8.170 -2.963 1.00 0.00 H new ATOM 167 N VAL A 785 -32.522 -9.950 -3.648 1.00 0.00 N ATOM 168 CA VAL A 785 -31.104 -10.003 -3.360 1.00 0.00 C ATOM 169 C VAL A 785 -30.723 -11.442 -3.073 1.00 0.00 C ATOM 170 O VAL A 785 -30.648 -11.862 -1.919 1.00 0.00 O ATOM 171 CB VAL A 785 -30.725 -9.109 -2.154 1.00 0.00 C ATOM 172 CG1 VAL A 785 -30.396 -7.698 -2.620 1.00 0.00 C ATOM 173 CG2 VAL A 785 -31.844 -9.081 -1.117 1.00 0.00 C ATOM 0 H VAL A 785 -33.117 -10.067 -2.828 1.00 0.00 H new ATOM 0 HA VAL A 785 -30.560 -9.626 -4.226 1.00 0.00 H new ATOM 0 HB VAL A 785 -29.840 -9.537 -1.683 1.00 0.00 H new ATOM 0 HG11 VAL A 785 -30.132 -7.083 -1.760 1.00 0.00 H new ATOM 0 HG12 VAL A 785 -29.556 -7.731 -3.314 1.00 0.00 H new ATOM 0 HG13 VAL A 785 -31.264 -7.268 -3.120 1.00 0.00 H new ATOM 0 HG21 VAL A 785 -31.550 -8.446 -0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 785 -32.752 -8.685 -1.572 1.00 0.00 H new ATOM 0 HG23 VAL A 785 -32.031 -10.092 -0.756 1.00 0.00 H new ATOM 183 N GLN A 786 -30.523 -12.203 -4.138 1.00 0.00 N ATOM 184 CA GLN A 786 -30.253 -13.633 -4.028 1.00 0.00 C ATOM 185 C GLN A 786 -28.822 -13.905 -3.561 1.00 0.00 C ATOM 186 O GLN A 786 -28.102 -14.705 -4.161 1.00 0.00 O ATOM 187 CB GLN A 786 -30.507 -14.322 -5.366 1.00 0.00 C ATOM 188 CG GLN A 786 -31.982 -14.453 -5.711 1.00 0.00 C ATOM 189 CD GLN A 786 -32.462 -15.889 -5.698 1.00 0.00 C ATOM 190 OE1 GLN A 786 -33.612 -16.164 -5.361 1.00 0.00 O ATOM 191 NE2 GLN A 786 -31.590 -16.809 -6.078 1.00 0.00 N ATOM 0 H GLN A 786 -30.542 -11.853 -5.096 1.00 0.00 H new ATOM 0 HA GLN A 786 -30.931 -14.040 -3.278 1.00 0.00 H new ATOM 0 HB2 GLN A 786 -30.006 -13.761 -6.155 1.00 0.00 H new ATOM 0 HB3 GLN A 786 -30.057 -15.315 -5.345 1.00 0.00 H new ATOM 0 HG2 GLN A 786 -32.570 -13.872 -5.000 1.00 0.00 H new ATOM 0 HG3 GLN A 786 -32.159 -14.024 -6.697 1.00 0.00 H new ATOM 0 HE21 GLN A 786 -30.646 -16.535 -6.349 1.00 0.00 H new ATOM 0 HE22 GLN A 786 -31.862 -17.792 -6.099 1.00 0.00 H new ATOM 200 N LEU A 787 -28.443 -13.223 -2.488 1.00 0.00 N ATOM 201 CA LEU A 787 -27.135 -13.344 -1.858 1.00 0.00 C ATOM 202 C LEU A 787 -26.984 -12.220 -0.841 1.00 0.00 C ATOM 203 O LEU A 787 -27.476 -12.315 0.283 1.00 0.00 O ATOM 204 CB LEU A 787 -25.993 -13.272 -2.884 1.00 0.00 C ATOM 205 CG LEU A 787 -24.810 -14.197 -2.597 1.00 0.00 C ATOM 206 CD1 LEU A 787 -24.334 -14.869 -3.874 1.00 0.00 C ATOM 207 CD2 LEU A 787 -23.675 -13.422 -1.945 1.00 0.00 C ATOM 0 H LEU A 787 -29.053 -12.553 -2.020 1.00 0.00 H new ATOM 0 HA LEU A 787 -27.073 -14.318 -1.373 1.00 0.00 H new ATOM 0 HB2 LEU A 787 -26.393 -13.513 -3.869 1.00 0.00 H new ATOM 0 HB3 LEU A 787 -25.630 -12.245 -2.930 1.00 0.00 H new ATOM 0 HG LEU A 787 -25.139 -14.972 -1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 787 -23.492 -15.523 -3.649 1.00 0.00 H new ATOM 0 HD12 LEU A 787 -25.147 -15.457 -4.300 1.00 0.00 H new ATOM 0 HD13 LEU A 787 -24.022 -14.109 -4.590 1.00 0.00 H new ATOM 0 HD21 LEU A 787 -22.841 -14.095 -1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 787 -23.348 -12.625 -2.613 1.00 0.00 H new ATOM 0 HD23 LEU A 787 -24.022 -12.989 -1.007 1.00 0.00 H new ATOM 219 N ALA A 788 -26.343 -11.141 -1.276 1.00 0.00 N ATOM 220 CA ALA A 788 -26.113 -9.964 -0.452 1.00 0.00 C ATOM 221 C ALA A 788 -25.381 -8.913 -1.272 1.00 0.00 C ATOM 222 O ALA A 788 -24.253 -9.140 -1.718 1.00 0.00 O ATOM 223 CB ALA A 788 -25.313 -10.310 0.795 1.00 0.00 C ATOM 0 H ALA A 788 -25.965 -11.060 -2.220 1.00 0.00 H new ATOM 0 HA ALA A 788 -27.077 -9.572 -0.127 1.00 0.00 H new ATOM 0 HB1 ALA A 788 -25.158 -9.410 1.389 1.00 0.00 H new ATOM 0 HB2 ALA A 788 -25.860 -11.045 1.386 1.00 0.00 H new ATOM 0 HB3 ALA A 788 -24.347 -10.724 0.505 1.00 0.00 H new ATOM 229 N GLN A 789 -26.026 -7.783 -1.492 1.00 0.00 N ATOM 230 CA GLN A 789 -25.435 -6.726 -2.292 1.00 0.00 C ATOM 231 C GLN A 789 -24.495 -5.896 -1.433 1.00 0.00 C ATOM 232 O GLN A 789 -24.642 -5.852 -0.209 1.00 0.00 O ATOM 233 CB GLN A 789 -26.531 -5.852 -2.907 1.00 0.00 C ATOM 234 CG GLN A 789 -26.958 -6.291 -4.305 1.00 0.00 C ATOM 235 CD GLN A 789 -26.757 -7.778 -4.558 1.00 0.00 C ATOM 236 OE1 GLN A 789 -27.568 -8.609 -4.150 1.00 0.00 O ATOM 237 NE2 GLN A 789 -25.669 -8.123 -5.231 1.00 0.00 N ATOM 0 H GLN A 789 -26.956 -7.573 -1.130 1.00 0.00 H new ATOM 0 HA GLN A 789 -24.860 -7.169 -3.106 1.00 0.00 H new ATOM 0 HB2 GLN A 789 -27.402 -5.863 -2.251 1.00 0.00 H new ATOM 0 HB3 GLN A 789 -26.178 -4.822 -2.952 1.00 0.00 H new ATOM 0 HG2 GLN A 789 -28.010 -6.044 -4.450 1.00 0.00 H new ATOM 0 HG3 GLN A 789 -26.392 -5.724 -5.045 1.00 0.00 H new ATOM 0 HE21 GLN A 789 -25.020 -7.405 -5.553 1.00 0.00 H new ATOM 0 HE22 GLN A 789 -25.481 -9.106 -5.427 1.00 0.00 H new ATOM 246 N GLU A 790 -23.523 -5.250 -2.060 1.00 0.00 N ATOM 247 CA GLU A 790 -22.530 -4.498 -1.311 1.00 0.00 C ATOM 248 C GLU A 790 -23.011 -3.084 -1.034 1.00 0.00 C ATOM 249 O GLU A 790 -23.233 -2.284 -1.946 1.00 0.00 O ATOM 250 CB GLU A 790 -21.179 -4.466 -2.020 1.00 0.00 C ATOM 251 CG GLU A 790 -21.263 -4.396 -3.538 1.00 0.00 C ATOM 252 CD GLU A 790 -19.967 -4.793 -4.217 1.00 0.00 C ATOM 253 OE1 GLU A 790 -19.634 -5.997 -4.223 1.00 0.00 O ATOM 254 OE2 GLU A 790 -19.275 -3.901 -4.753 1.00 0.00 O ATOM 0 H GLU A 790 -23.402 -5.231 -3.073 1.00 0.00 H new ATOM 0 HA GLU A 790 -22.394 -5.015 -0.361 1.00 0.00 H new ATOM 0 HB2 GLU A 790 -20.615 -3.606 -1.660 1.00 0.00 H new ATOM 0 HB3 GLU A 790 -20.615 -5.356 -1.741 1.00 0.00 H new ATOM 0 HG2 GLU A 790 -22.064 -5.050 -3.884 1.00 0.00 H new ATOM 0 HG3 GLU A 790 -21.528 -3.382 -3.836 1.00 0.00 H new ATOM 261 N GLU A 791 -23.173 -2.798 0.241 1.00 0.00 N ATOM 262 CA GLU A 791 -23.605 -1.492 0.701 1.00 0.00 C ATOM 263 C GLU A 791 -22.526 -0.874 1.575 1.00 0.00 C ATOM 264 O GLU A 791 -22.464 0.343 1.757 1.00 0.00 O ATOM 265 CB GLU A 791 -24.923 -1.613 1.472 1.00 0.00 C ATOM 266 CG GLU A 791 -25.468 -0.287 1.972 1.00 0.00 C ATOM 267 CD GLU A 791 -26.898 -0.391 2.449 1.00 0.00 C ATOM 268 OE1 GLU A 791 -27.791 -0.620 1.614 1.00 0.00 O ATOM 269 OE2 GLU A 791 -27.140 -0.231 3.664 1.00 0.00 O ATOM 0 H GLU A 791 -23.008 -3.468 0.992 1.00 0.00 H new ATOM 0 HA GLU A 791 -23.772 -0.844 -0.160 1.00 0.00 H new ATOM 0 HB2 GLU A 791 -25.668 -2.081 0.828 1.00 0.00 H new ATOM 0 HB3 GLU A 791 -24.775 -2.278 2.323 1.00 0.00 H new ATOM 0 HG2 GLU A 791 -24.842 0.075 2.788 1.00 0.00 H new ATOM 0 HG3 GLU A 791 -25.408 0.451 1.172 1.00 0.00 H new ATOM 276 N VAL A 792 -21.663 -1.736 2.090 1.00 0.00 N ATOM 277 CA VAL A 792 -20.555 -1.311 2.934 1.00 0.00 C ATOM 278 C VAL A 792 -19.570 -0.463 2.136 1.00 0.00 C ATOM 279 O VAL A 792 -19.244 -0.781 0.990 1.00 0.00 O ATOM 280 CB VAL A 792 -19.807 -2.516 3.548 1.00 0.00 C ATOM 281 CG1 VAL A 792 -20.526 -3.016 4.794 1.00 0.00 C ATOM 282 CG2 VAL A 792 -19.650 -3.638 2.528 1.00 0.00 C ATOM 0 H VAL A 792 -21.709 -2.743 1.937 1.00 0.00 H new ATOM 0 HA VAL A 792 -20.979 -0.719 3.745 1.00 0.00 H new ATOM 0 HB VAL A 792 -18.810 -2.183 3.838 1.00 0.00 H new ATOM 0 HG11 VAL A 792 -19.984 -3.864 5.211 1.00 0.00 H new ATOM 0 HG12 VAL A 792 -20.572 -2.216 5.533 1.00 0.00 H new ATOM 0 HG13 VAL A 792 -21.537 -3.326 4.531 1.00 0.00 H new ATOM 0 HG21 VAL A 792 -19.120 -4.474 2.985 1.00 0.00 H new ATOM 0 HG22 VAL A 792 -20.634 -3.969 2.197 1.00 0.00 H new ATOM 0 HG23 VAL A 792 -19.083 -3.274 1.671 1.00 0.00 H new ATOM 292 N THR A 793 -19.108 0.619 2.737 1.00 0.00 N ATOM 293 CA THR A 793 -18.186 1.515 2.070 1.00 0.00 C ATOM 294 C THR A 793 -16.756 1.021 2.230 1.00 0.00 C ATOM 295 O THR A 793 -16.017 0.881 1.256 1.00 0.00 O ATOM 296 CB THR A 793 -18.309 2.946 2.624 1.00 0.00 C ATOM 297 OG1 THR A 793 -18.526 2.910 4.044 1.00 0.00 O ATOM 298 CG2 THR A 793 -19.461 3.682 1.955 1.00 0.00 C ATOM 0 H THR A 793 -19.357 0.897 3.686 1.00 0.00 H new ATOM 0 HA THR A 793 -18.442 1.531 1.011 1.00 0.00 H new ATOM 0 HB THR A 793 -17.380 3.475 2.412 1.00 0.00 H new ATOM 0 HG1 THR A 793 -17.662 2.918 4.507 1.00 0.00 H new ATOM 0 HG21 THR A 793 -19.532 4.692 2.360 1.00 0.00 H new ATOM 0 HG22 THR A 793 -19.285 3.733 0.881 1.00 0.00 H new ATOM 0 HG23 THR A 793 -20.393 3.149 2.145 1.00 0.00 H new ATOM 306 N GLU A 794 -16.382 0.744 3.470 1.00 0.00 N ATOM 307 CA GLU A 794 -15.052 0.248 3.783 1.00 0.00 C ATOM 308 C GLU A 794 -15.157 -0.911 4.756 1.00 0.00 C ATOM 309 O GLU A 794 -16.232 -1.183 5.295 1.00 0.00 O ATOM 310 CB GLU A 794 -14.176 1.344 4.400 1.00 0.00 C ATOM 311 CG GLU A 794 -14.376 2.721 3.792 1.00 0.00 C ATOM 312 CD GLU A 794 -15.272 3.606 4.634 1.00 0.00 C ATOM 313 OE1 GLU A 794 -16.090 3.073 5.414 1.00 0.00 O ATOM 314 OE2 GLU A 794 -15.166 4.843 4.517 1.00 0.00 O ATOM 0 H GLU A 794 -16.988 0.856 4.283 1.00 0.00 H new ATOM 0 HA GLU A 794 -14.589 -0.080 2.853 1.00 0.00 H new ATOM 0 HB2 GLU A 794 -14.382 1.398 5.469 1.00 0.00 H new ATOM 0 HB3 GLU A 794 -13.129 1.060 4.291 1.00 0.00 H new ATOM 0 HG2 GLU A 794 -13.407 3.204 3.669 1.00 0.00 H new ATOM 0 HG3 GLU A 794 -14.808 2.615 2.797 1.00 0.00 H new ATOM 321 N SER A 795 -14.044 -1.580 4.986 1.00 0.00 N ATOM 322 CA SER A 795 -14.010 -2.704 5.899 1.00 0.00 C ATOM 323 C SER A 795 -13.175 -2.376 7.134 1.00 0.00 C ATOM 324 O SER A 795 -11.961 -2.190 7.040 1.00 0.00 O ATOM 325 CB SER A 795 -13.440 -3.933 5.195 1.00 0.00 C ATOM 326 OG SER A 795 -13.237 -3.688 3.810 1.00 0.00 O ATOM 0 H SER A 795 -13.148 -1.363 4.550 1.00 0.00 H new ATOM 0 HA SER A 795 -15.030 -2.915 6.220 1.00 0.00 H new ATOM 0 HB2 SER A 795 -12.495 -4.214 5.659 1.00 0.00 H new ATOM 0 HB3 SER A 795 -14.120 -4.775 5.321 1.00 0.00 H new ATOM 0 HG SER A 795 -13.508 -4.477 3.295 1.00 0.00 H new ATOM 332 N PRO A 796 -13.822 -2.266 8.305 1.00 0.00 N ATOM 333 CA PRO A 796 -13.122 -2.098 9.579 1.00 0.00 C ATOM 334 C PRO A 796 -12.403 -3.381 9.985 1.00 0.00 C ATOM 335 O PRO A 796 -12.828 -4.081 10.907 1.00 0.00 O ATOM 336 CB PRO A 796 -14.246 -1.760 10.564 1.00 0.00 C ATOM 337 CG PRO A 796 -15.469 -2.364 9.963 1.00 0.00 C ATOM 338 CD PRO A 796 -15.285 -2.278 8.474 1.00 0.00 C ATOM 0 HA PRO A 796 -12.349 -1.331 9.539 1.00 0.00 H new ATOM 0 HB2 PRO A 796 -14.044 -2.174 11.552 1.00 0.00 H new ATOM 0 HB3 PRO A 796 -14.355 -0.682 10.686 1.00 0.00 H new ATOM 0 HG2 PRO A 796 -15.590 -3.399 10.282 1.00 0.00 H new ATOM 0 HG3 PRO A 796 -16.364 -1.827 10.277 1.00 0.00 H new ATOM 0 HD2 PRO A 796 -15.740 -3.127 7.964 1.00 0.00 H new ATOM 0 HD3 PRO A 796 -15.743 -1.377 8.065 1.00 0.00 H new ATOM 346 N LEU A 797 -11.312 -3.675 9.280 1.00 0.00 N ATOM 347 CA LEU A 797 -10.567 -4.915 9.460 1.00 0.00 C ATOM 348 C LEU A 797 -11.485 -6.111 9.205 1.00 0.00 C ATOM 349 O LEU A 797 -12.158 -6.173 8.173 1.00 0.00 O ATOM 350 CB LEU A 797 -9.948 -4.992 10.867 1.00 0.00 C ATOM 351 CG LEU A 797 -9.426 -3.667 11.432 1.00 0.00 C ATOM 352 CD1 LEU A 797 -9.954 -3.442 12.840 1.00 0.00 C ATOM 353 CD2 LEU A 797 -7.905 -3.644 11.422 1.00 0.00 C ATOM 0 H LEU A 797 -10.921 -3.058 8.568 1.00 0.00 H new ATOM 0 HA LEU A 797 -9.749 -4.936 8.740 1.00 0.00 H new ATOM 0 HB2 LEU A 797 -10.696 -5.390 11.553 1.00 0.00 H new ATOM 0 HB3 LEU A 797 -9.125 -5.706 10.844 1.00 0.00 H new ATOM 0 HG LEU A 797 -9.786 -2.858 10.797 1.00 0.00 H new ATOM 0 HD11 LEU A 797 -9.573 -2.496 13.225 1.00 0.00 H new ATOM 0 HD12 LEU A 797 -11.043 -3.413 12.820 1.00 0.00 H new ATOM 0 HD13 LEU A 797 -9.625 -4.256 13.486 1.00 0.00 H new ATOM 0 HD21 LEU A 797 -7.553 -2.695 11.827 1.00 0.00 H new ATOM 0 HD22 LEU A 797 -7.525 -4.463 12.033 1.00 0.00 H new ATOM 0 HD23 LEU A 797 -7.546 -3.758 10.399 1.00 0.00 H new ATOM 365 N GLY A 798 -11.506 -7.054 10.136 1.00 0.00 N ATOM 366 CA GLY A 798 -12.428 -8.170 10.048 1.00 0.00 C ATOM 367 C GLY A 798 -12.043 -9.187 8.990 1.00 0.00 C ATOM 368 O GLY A 798 -12.872 -10.009 8.589 1.00 0.00 O ATOM 0 H GLY A 798 -10.898 -7.067 10.955 1.00 0.00 H new ATOM 0 HA2 GLY A 798 -12.480 -8.666 11.017 1.00 0.00 H new ATOM 0 HA3 GLY A 798 -13.426 -7.791 9.831 1.00 0.00 H new ATOM 372 N GLY A 799 -10.800 -9.131 8.527 1.00 0.00 N ATOM 373 CA GLY A 799 -10.324 -10.098 7.553 1.00 0.00 C ATOM 374 C GLY A 799 -10.857 -9.834 6.157 1.00 0.00 C ATOM 375 O GLY A 799 -11.048 -10.762 5.371 1.00 0.00 O ATOM 0 H GLY A 799 -10.112 -8.433 8.808 1.00 0.00 H new ATOM 0 HA2 GLY A 799 -9.234 -10.079 7.531 1.00 0.00 H new ATOM 0 HA3 GLY A 799 -10.619 -11.099 7.867 1.00 0.00 H new ATOM 379 N ASP A 800 -11.093 -8.566 5.844 1.00 0.00 N ATOM 380 CA ASP A 800 -11.608 -8.177 4.530 1.00 0.00 C ATOM 381 C ASP A 800 -10.511 -7.503 3.711 1.00 0.00 C ATOM 382 O ASP A 800 -10.774 -6.854 2.697 1.00 0.00 O ATOM 383 CB ASP A 800 -12.805 -7.235 4.687 1.00 0.00 C ATOM 384 CG ASP A 800 -13.660 -7.151 3.435 1.00 0.00 C ATOM 385 OD1 ASP A 800 -14.381 -8.127 3.142 1.00 0.00 O ATOM 386 OD2 ASP A 800 -13.622 -6.102 2.751 1.00 0.00 O ATOM 0 H ASP A 800 -10.937 -7.785 6.481 1.00 0.00 H new ATOM 0 HA ASP A 800 -11.936 -9.074 4.005 1.00 0.00 H new ATOM 0 HB2 ASP A 800 -13.421 -7.575 5.519 1.00 0.00 H new ATOM 0 HB3 ASP A 800 -12.445 -6.238 4.943 1.00 0.00 H new ATOM 391 N GLU A 801 -9.274 -7.678 4.154 1.00 0.00 N ATOM 392 CA GLU A 801 -8.126 -7.026 3.537 1.00 0.00 C ATOM 393 C GLU A 801 -7.976 -7.427 2.073 1.00 0.00 C ATOM 394 O GLU A 801 -7.790 -6.578 1.206 1.00 0.00 O ATOM 395 CB GLU A 801 -6.845 -7.363 4.309 1.00 0.00 C ATOM 396 CG GLU A 801 -6.872 -6.920 5.767 1.00 0.00 C ATOM 397 CD GLU A 801 -7.571 -7.917 6.668 1.00 0.00 C ATOM 398 OE1 GLU A 801 -7.495 -9.133 6.385 1.00 0.00 O ATOM 399 OE2 GLU A 801 -8.212 -7.492 7.653 1.00 0.00 O ATOM 0 H GLU A 801 -9.038 -8.273 4.948 1.00 0.00 H new ATOM 0 HA GLU A 801 -8.295 -5.950 3.575 1.00 0.00 H new ATOM 0 HB2 GLU A 801 -6.680 -8.440 4.269 1.00 0.00 H new ATOM 0 HB3 GLU A 801 -5.997 -6.892 3.811 1.00 0.00 H new ATOM 0 HG2 GLU A 801 -5.850 -6.774 6.117 1.00 0.00 H new ATOM 0 HG3 GLU A 801 -7.375 -5.956 5.840 1.00 0.00 H new ATOM 406 N ASN A 802 -8.081 -8.719 1.794 1.00 0.00 N ATOM 407 CA ASN A 802 -7.917 -9.213 0.429 1.00 0.00 C ATOM 408 C ASN A 802 -9.097 -8.794 -0.439 1.00 0.00 C ATOM 409 O ASN A 802 -8.924 -8.372 -1.589 1.00 0.00 O ATOM 410 CB ASN A 802 -7.769 -10.739 0.423 1.00 0.00 C ATOM 411 CG ASN A 802 -8.136 -11.361 -0.915 1.00 0.00 C ATOM 412 OD1 ASN A 802 -9.231 -11.899 -1.082 1.00 0.00 O ATOM 413 ND2 ASN A 802 -7.225 -11.303 -1.872 1.00 0.00 N ATOM 0 H ASN A 802 -8.277 -9.441 2.487 1.00 0.00 H new ATOM 0 HA ASN A 802 -7.009 -8.774 0.015 1.00 0.00 H new ATOM 0 HB2 ASN A 802 -6.740 -11.001 0.670 1.00 0.00 H new ATOM 0 HB3 ASN A 802 -8.402 -11.164 1.202 1.00 0.00 H new ATOM 0 HD21 ASN A 802 -7.419 -11.712 -2.786 1.00 0.00 H new ATOM 0 HD22 ASN A 802 -6.329 -10.849 -1.696 1.00 0.00 H new ATOM 420 N ALA A 803 -10.292 -8.897 0.124 1.00 0.00 N ATOM 421 CA ALA A 803 -11.505 -8.555 -0.598 1.00 0.00 C ATOM 422 C ALA A 803 -11.509 -7.083 -0.984 1.00 0.00 C ATOM 423 O ALA A 803 -11.733 -6.734 -2.142 1.00 0.00 O ATOM 424 CB ALA A 803 -12.727 -8.896 0.236 1.00 0.00 C ATOM 0 H ALA A 803 -10.446 -9.216 1.081 1.00 0.00 H new ATOM 0 HA ALA A 803 -11.537 -9.142 -1.516 1.00 0.00 H new ATOM 0 HB1 ALA A 803 -13.629 -8.635 -0.317 1.00 0.00 H new ATOM 0 HB2 ALA A 803 -12.732 -9.964 0.455 1.00 0.00 H new ATOM 0 HB3 ALA A 803 -12.698 -8.335 1.170 1.00 0.00 H new ATOM 430 N GLN A 804 -11.227 -6.221 -0.021 1.00 0.00 N ATOM 431 CA GLN A 804 -11.199 -4.795 -0.281 1.00 0.00 C ATOM 432 C GLN A 804 -10.080 -4.441 -1.254 1.00 0.00 C ATOM 433 O GLN A 804 -10.259 -3.594 -2.128 1.00 0.00 O ATOM 434 CB GLN A 804 -11.036 -4.009 1.019 1.00 0.00 C ATOM 435 CG GLN A 804 -11.629 -2.609 0.958 1.00 0.00 C ATOM 436 CD GLN A 804 -12.830 -2.512 0.036 1.00 0.00 C ATOM 437 OE1 GLN A 804 -12.753 -1.931 -1.045 1.00 0.00 O ATOM 438 NE2 GLN A 804 -13.949 -3.081 0.457 1.00 0.00 N ATOM 0 H GLN A 804 -11.016 -6.484 0.942 1.00 0.00 H new ATOM 0 HA GLN A 804 -12.151 -4.520 -0.735 1.00 0.00 H new ATOM 0 HB2 GLN A 804 -11.510 -4.561 1.830 1.00 0.00 H new ATOM 0 HB3 GLN A 804 -9.976 -3.936 1.260 1.00 0.00 H new ATOM 0 HG2 GLN A 804 -11.923 -2.301 1.961 1.00 0.00 H new ATOM 0 HG3 GLN A 804 -10.863 -1.910 0.622 1.00 0.00 H new ATOM 0 HE21 GLN A 804 -13.972 -3.554 1.361 1.00 0.00 H new ATOM 0 HE22 GLN A 804 -14.788 -3.047 -0.122 1.00 0.00 H new ATOM 447 N LEU A 805 -8.938 -5.109 -1.122 1.00 0.00 N ATOM 448 CA LEU A 805 -7.779 -4.816 -1.962 1.00 0.00 C ATOM 449 C LEU A 805 -8.079 -5.069 -3.444 1.00 0.00 C ATOM 450 O LEU A 805 -7.718 -4.259 -4.302 1.00 0.00 O ATOM 451 CB LEU A 805 -6.561 -5.629 -1.493 1.00 0.00 C ATOM 452 CG LEU A 805 -5.874 -6.481 -2.553 1.00 0.00 C ATOM 453 CD1 LEU A 805 -4.614 -5.795 -3.056 1.00 0.00 C ATOM 454 CD2 LEU A 805 -5.551 -7.864 -2.006 1.00 0.00 C ATOM 0 H LEU A 805 -8.789 -5.856 -0.443 1.00 0.00 H new ATOM 0 HA LEU A 805 -7.546 -3.756 -1.859 1.00 0.00 H new ATOM 0 HB2 LEU A 805 -5.826 -4.938 -1.079 1.00 0.00 H new ATOM 0 HB3 LEU A 805 -6.877 -6.282 -0.680 1.00 0.00 H new ATOM 0 HG LEU A 805 -6.558 -6.599 -3.393 1.00 0.00 H new ATOM 0 HD11 LEU A 805 -4.137 -6.419 -3.812 1.00 0.00 H new ATOM 0 HD12 LEU A 805 -4.874 -4.831 -3.492 1.00 0.00 H new ATOM 0 HD13 LEU A 805 -3.926 -5.643 -2.225 1.00 0.00 H new ATOM 0 HD21 LEU A 805 -5.061 -8.456 -2.779 1.00 0.00 H new ATOM 0 HD22 LEU A 805 -4.888 -7.769 -1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 805 -6.473 -8.359 -1.700 1.00 0.00 H new ATOM 466 N HIS A 806 -8.751 -6.174 -3.756 1.00 0.00 N ATOM 467 CA HIS A 806 -9.080 -6.456 -5.148 1.00 0.00 C ATOM 468 C HIS A 806 -10.319 -5.671 -5.584 1.00 0.00 C ATOM 469 O HIS A 806 -10.526 -5.444 -6.773 1.00 0.00 O ATOM 470 CB HIS A 806 -9.239 -7.966 -5.412 1.00 0.00 C ATOM 471 CG HIS A 806 -10.637 -8.475 -5.298 1.00 0.00 C ATOM 472 ND1 HIS A 806 -11.401 -8.867 -6.373 1.00 0.00 N ATOM 473 CD2 HIS A 806 -11.404 -8.635 -4.215 1.00 0.00 C ATOM 474 CE1 HIS A 806 -12.589 -9.250 -5.943 1.00 0.00 C ATOM 475 NE2 HIS A 806 -12.617 -9.120 -4.630 1.00 0.00 N ATOM 0 H HIS A 806 -9.071 -6.871 -3.084 1.00 0.00 H new ATOM 0 HA HIS A 806 -8.240 -6.122 -5.757 1.00 0.00 H new ATOM 0 HB2 HIS A 806 -8.867 -8.187 -6.412 1.00 0.00 H new ATOM 0 HB3 HIS A 806 -8.610 -8.512 -4.709 1.00 0.00 H new ATOM 0 HD2 HIS A 806 -11.119 -8.421 -3.196 1.00 0.00 H new ATOM 0 HE1 HIS A 806 -13.399 -9.608 -6.560 1.00 0.00 H new ATOM 0 HE2 HIS A 806 -13.408 -9.343 -4.026 1.00 0.00 H new ATOM 484 N ALA A 807 -11.130 -5.246 -4.617 1.00 0.00 N ATOM 485 CA ALA A 807 -12.331 -4.470 -4.911 1.00 0.00 C ATOM 486 C ALA A 807 -11.981 -3.052 -5.352 1.00 0.00 C ATOM 487 O ALA A 807 -12.594 -2.509 -6.274 1.00 0.00 O ATOM 488 CB ALA A 807 -13.248 -4.428 -3.699 1.00 0.00 C ATOM 0 H ALA A 807 -10.977 -5.426 -3.625 1.00 0.00 H new ATOM 0 HA ALA A 807 -12.851 -4.963 -5.733 1.00 0.00 H new ATOM 0 HB1 ALA A 807 -14.138 -3.845 -3.936 1.00 0.00 H new ATOM 0 HB2 ALA A 807 -13.540 -5.443 -3.428 1.00 0.00 H new ATOM 0 HB3 ALA A 807 -12.724 -3.966 -2.862 1.00 0.00 H new ATOM 494 N SER A 808 -10.993 -2.454 -4.695 1.00 0.00 N ATOM 495 CA SER A 808 -10.575 -1.098 -5.025 1.00 0.00 C ATOM 496 C SER A 808 -9.699 -1.090 -6.275 1.00 0.00 C ATOM 497 O SER A 808 -9.478 -0.046 -6.886 1.00 0.00 O ATOM 498 CB SER A 808 -9.820 -0.476 -3.849 1.00 0.00 C ATOM 499 OG SER A 808 -9.119 -1.468 -3.119 1.00 0.00 O ATOM 0 H SER A 808 -10.469 -2.886 -3.934 1.00 0.00 H new ATOM 0 HA SER A 808 -11.467 -0.505 -5.227 1.00 0.00 H new ATOM 0 HB2 SER A 808 -9.120 0.274 -4.217 1.00 0.00 H new ATOM 0 HB3 SER A 808 -10.521 0.038 -3.192 1.00 0.00 H new ATOM 0 HG SER A 808 -9.743 -1.945 -2.533 1.00 0.00 H new ATOM 505 N GLY A 809 -9.201 -2.265 -6.642 1.00 0.00 N ATOM 506 CA GLY A 809 -8.393 -2.390 -7.838 1.00 0.00 C ATOM 507 C GLY A 809 -6.922 -2.138 -7.579 1.00 0.00 C ATOM 508 O GLY A 809 -6.184 -1.752 -8.482 1.00 0.00 O ATOM 0 H GLY A 809 -9.344 -3.136 -6.130 1.00 0.00 H new ATOM 0 HA2 GLY A 809 -8.518 -3.390 -8.253 1.00 0.00 H new ATOM 0 HA3 GLY A 809 -8.751 -1.686 -8.589 1.00 0.00 H new ATOM 512 N TYR A 810 -6.485 -2.371 -6.347 1.00 0.00 N ATOM 513 CA TYR A 810 -5.089 -2.153 -5.981 1.00 0.00 C ATOM 514 C TYR A 810 -4.281 -3.435 -6.148 1.00 0.00 C ATOM 515 O TYR A 810 -3.139 -3.529 -5.699 1.00 0.00 O ATOM 516 CB TYR A 810 -4.988 -1.656 -4.542 1.00 0.00 C ATOM 517 CG TYR A 810 -5.355 -0.196 -4.373 1.00 0.00 C ATOM 518 CD1 TYR A 810 -5.166 0.715 -5.405 1.00 0.00 C ATOM 519 CD2 TYR A 810 -5.886 0.273 -3.177 1.00 0.00 C ATOM 520 CE1 TYR A 810 -5.495 2.047 -5.253 1.00 0.00 C ATOM 521 CE2 TYR A 810 -6.216 1.606 -3.016 1.00 0.00 C ATOM 522 CZ TYR A 810 -6.018 2.489 -4.057 1.00 0.00 C ATOM 523 OH TYR A 810 -6.343 3.819 -3.903 1.00 0.00 O ATOM 0 H TYR A 810 -7.074 -2.710 -5.586 1.00 0.00 H new ATOM 0 HA TYR A 810 -4.678 -1.394 -6.647 1.00 0.00 H new ATOM 0 HB2 TYR A 810 -5.641 -2.260 -3.912 1.00 0.00 H new ATOM 0 HB3 TYR A 810 -3.969 -1.809 -4.185 1.00 0.00 H new ATOM 0 HD1 TYR A 810 -4.754 0.375 -6.344 1.00 0.00 H new ATOM 0 HD2 TYR A 810 -6.043 -0.415 -2.360 1.00 0.00 H new ATOM 0 HE1 TYR A 810 -5.343 2.740 -6.068 1.00 0.00 H new ATOM 0 HE2 TYR A 810 -6.627 1.954 -2.080 1.00 0.00 H new ATOM 0 HH TYR A 810 -6.700 3.966 -3.002 1.00 0.00 H new ATOM 533 N TYR A 811 -4.886 -4.414 -6.807 1.00 0.00 N ATOM 534 CA TYR A 811 -4.255 -5.709 -7.035 1.00 0.00 C ATOM 535 C TYR A 811 -2.957 -5.557 -7.823 1.00 0.00 C ATOM 536 O TYR A 811 -1.961 -6.218 -7.526 1.00 0.00 O ATOM 537 CB TYR A 811 -5.215 -6.625 -7.792 1.00 0.00 C ATOM 538 CG TYR A 811 -5.309 -8.030 -7.236 1.00 0.00 C ATOM 539 CD1 TYR A 811 -5.220 -8.274 -5.872 1.00 0.00 C ATOM 540 CD2 TYR A 811 -5.494 -9.112 -8.084 1.00 0.00 C ATOM 541 CE1 TYR A 811 -5.321 -9.559 -5.369 1.00 0.00 C ATOM 542 CE2 TYR A 811 -5.592 -10.398 -7.589 1.00 0.00 C ATOM 543 CZ TYR A 811 -5.504 -10.618 -6.233 1.00 0.00 C ATOM 544 OH TYR A 811 -5.618 -11.899 -5.739 1.00 0.00 O ATOM 0 H TYR A 811 -5.825 -4.335 -7.198 1.00 0.00 H new ATOM 0 HA TYR A 811 -4.017 -6.148 -6.066 1.00 0.00 H new ATOM 0 HB2 TYR A 811 -6.208 -6.177 -7.783 1.00 0.00 H new ATOM 0 HB3 TYR A 811 -4.900 -6.680 -8.834 1.00 0.00 H new ATOM 0 HD1 TYR A 811 -5.070 -7.448 -5.193 1.00 0.00 H new ATOM 0 HD2 TYR A 811 -5.563 -8.946 -9.149 1.00 0.00 H new ATOM 0 HE1 TYR A 811 -5.257 -9.732 -4.305 1.00 0.00 H new ATOM 0 HE2 TYR A 811 -5.737 -11.228 -8.264 1.00 0.00 H new ATOM 0 HH TYR A 811 -4.725 -12.266 -5.574 1.00 0.00 H new ATOM 554 N ALA A 812 -2.970 -4.671 -8.813 1.00 0.00 N ATOM 555 CA ALA A 812 -1.817 -4.478 -9.680 1.00 0.00 C ATOM 556 C ALA A 812 -0.670 -3.820 -8.922 1.00 0.00 C ATOM 557 O ALA A 812 0.489 -4.199 -9.087 1.00 0.00 O ATOM 558 CB ALA A 812 -2.197 -3.653 -10.901 1.00 0.00 C ATOM 0 H ALA A 812 -3.768 -4.075 -9.034 1.00 0.00 H new ATOM 0 HA ALA A 812 -1.480 -5.458 -10.019 1.00 0.00 H new ATOM 0 HB1 ALA A 812 -1.322 -3.520 -11.537 1.00 0.00 H new ATOM 0 HB2 ALA A 812 -2.977 -4.169 -11.461 1.00 0.00 H new ATOM 0 HB3 ALA A 812 -2.565 -2.678 -10.581 1.00 0.00 H new ATOM 564 N LEU A 813 -0.999 -2.848 -8.078 1.00 0.00 N ATOM 565 CA LEU A 813 0.010 -2.152 -7.290 1.00 0.00 C ATOM 566 C LEU A 813 0.577 -3.078 -6.220 1.00 0.00 C ATOM 567 O LEU A 813 1.755 -3.001 -5.873 1.00 0.00 O ATOM 568 CB LEU A 813 -0.587 -0.902 -6.637 1.00 0.00 C ATOM 569 CG LEU A 813 -0.785 0.287 -7.574 1.00 0.00 C ATOM 570 CD1 LEU A 813 -1.522 1.407 -6.858 1.00 0.00 C ATOM 571 CD2 LEU A 813 0.554 0.780 -8.103 1.00 0.00 C ATOM 0 H LEU A 813 -1.954 -2.525 -7.923 1.00 0.00 H new ATOM 0 HA LEU A 813 0.816 -1.847 -7.957 1.00 0.00 H new ATOM 0 HB2 LEU A 813 -1.550 -1.164 -6.200 1.00 0.00 H new ATOM 0 HB3 LEU A 813 0.062 -0.594 -5.817 1.00 0.00 H new ATOM 0 HG LEU A 813 -1.388 -0.037 -8.422 1.00 0.00 H new ATOM 0 HD11 LEU A 813 -1.656 2.248 -7.539 1.00 0.00 H new ATOM 0 HD12 LEU A 813 -2.497 1.048 -6.528 1.00 0.00 H new ATOM 0 HD13 LEU A 813 -0.942 1.729 -5.993 1.00 0.00 H new ATOM 0 HD21 LEU A 813 0.392 1.628 -8.769 1.00 0.00 H new ATOM 0 HD22 LEU A 813 1.183 1.089 -7.268 1.00 0.00 H new ATOM 0 HD23 LEU A 813 1.047 -0.023 -8.651 1.00 0.00 H new ATOM 583 N PHE A 814 -0.274 -3.957 -5.711 1.00 0.00 N ATOM 584 CA PHE A 814 0.114 -4.903 -4.677 1.00 0.00 C ATOM 585 C PHE A 814 1.148 -5.895 -5.201 1.00 0.00 C ATOM 586 O PHE A 814 2.215 -6.069 -4.608 1.00 0.00 O ATOM 587 CB PHE A 814 -1.120 -5.651 -4.170 1.00 0.00 C ATOM 588 CG PHE A 814 -0.875 -6.473 -2.938 1.00 0.00 C ATOM 589 CD1 PHE A 814 -0.431 -5.879 -1.769 1.00 0.00 C ATOM 590 CD2 PHE A 814 -1.091 -7.841 -2.949 1.00 0.00 C ATOM 591 CE1 PHE A 814 -0.207 -6.634 -0.633 1.00 0.00 C ATOM 592 CE2 PHE A 814 -0.869 -8.601 -1.819 1.00 0.00 C ATOM 593 CZ PHE A 814 -0.426 -7.997 -0.660 1.00 0.00 C ATOM 0 H PHE A 814 -1.249 -4.034 -6.002 1.00 0.00 H new ATOM 0 HA PHE A 814 0.564 -4.347 -3.855 1.00 0.00 H new ATOM 0 HB2 PHE A 814 -1.909 -4.929 -3.961 1.00 0.00 H new ATOM 0 HB3 PHE A 814 -1.487 -6.304 -4.962 1.00 0.00 H new ATOM 0 HD1 PHE A 814 -0.258 -4.813 -1.744 1.00 0.00 H new ATOM 0 HD2 PHE A 814 -1.438 -8.319 -3.853 1.00 0.00 H new ATOM 0 HE1 PHE A 814 0.138 -6.159 0.273 1.00 0.00 H new ATOM 0 HE2 PHE A 814 -1.042 -9.667 -1.842 1.00 0.00 H new ATOM 0 HZ PHE A 814 -0.251 -8.590 0.225 1.00 0.00 H new ATOM 603 N VAL A 815 0.837 -6.537 -6.321 1.00 0.00 N ATOM 604 CA VAL A 815 1.708 -7.569 -6.867 1.00 0.00 C ATOM 605 C VAL A 815 2.978 -6.977 -7.476 1.00 0.00 C ATOM 606 O VAL A 815 4.011 -7.642 -7.538 1.00 0.00 O ATOM 607 CB VAL A 815 0.985 -8.430 -7.926 1.00 0.00 C ATOM 608 CG1 VAL A 815 -0.200 -9.155 -7.305 1.00 0.00 C ATOM 609 CG2 VAL A 815 0.539 -7.584 -9.112 1.00 0.00 C ATOM 0 H VAL A 815 -0.007 -6.362 -6.866 1.00 0.00 H new ATOM 0 HA VAL A 815 1.986 -8.206 -6.027 1.00 0.00 H new ATOM 0 HB VAL A 815 1.691 -9.174 -8.295 1.00 0.00 H new ATOM 0 HG11 VAL A 815 -0.698 -9.757 -8.066 1.00 0.00 H new ATOM 0 HG12 VAL A 815 0.150 -9.803 -6.501 1.00 0.00 H new ATOM 0 HG13 VAL A 815 -0.903 -8.425 -6.903 1.00 0.00 H new ATOM 0 HG21 VAL A 815 0.033 -8.217 -9.841 1.00 0.00 H new ATOM 0 HG22 VAL A 815 -0.145 -6.808 -8.769 1.00 0.00 H new ATOM 0 HG23 VAL A 815 1.410 -7.121 -9.576 1.00 0.00 H new ATOM 619 N ASP A 816 2.911 -5.722 -7.898 1.00 0.00 N ATOM 620 CA ASP A 816 4.049 -5.089 -8.551 1.00 0.00 C ATOM 621 C ASP A 816 4.818 -4.193 -7.593 1.00 0.00 C ATOM 622 O ASP A 816 5.045 -3.020 -7.882 1.00 0.00 O ATOM 623 CB ASP A 816 3.598 -4.280 -9.768 1.00 0.00 C ATOM 624 CG ASP A 816 4.583 -4.368 -10.920 1.00 0.00 C ATOM 625 OD1 ASP A 816 5.759 -3.981 -10.744 1.00 0.00 O ATOM 626 OD2 ASP A 816 4.182 -4.827 -12.010 1.00 0.00 O ATOM 0 H ASP A 816 2.089 -5.126 -7.801 1.00 0.00 H new ATOM 0 HA ASP A 816 4.714 -5.887 -8.881 1.00 0.00 H new ATOM 0 HB2 ASP A 816 2.624 -4.639 -10.099 1.00 0.00 H new ATOM 0 HB3 ASP A 816 3.472 -3.236 -9.480 1.00 0.00 H new ATOM 631 N THR A 817 5.196 -4.749 -6.443 1.00 0.00 N ATOM 632 CA THR A 817 6.107 -4.078 -5.518 1.00 0.00 C ATOM 633 C THR A 817 6.258 -4.862 -4.215 1.00 0.00 C ATOM 634 O THR A 817 7.372 -5.084 -3.763 1.00 0.00 O ATOM 635 CB THR A 817 5.705 -2.600 -5.221 1.00 0.00 C ATOM 636 OG1 THR A 817 6.832 -1.871 -4.709 1.00 0.00 O ATOM 637 CG2 THR A 817 4.543 -2.494 -4.238 1.00 0.00 C ATOM 0 H THR A 817 4.883 -5.668 -6.129 1.00 0.00 H new ATOM 0 HA THR A 817 7.072 -4.047 -6.024 1.00 0.00 H new ATOM 0 HB THR A 817 5.378 -2.168 -6.167 1.00 0.00 H new ATOM 0 HG1 THR A 817 7.302 -2.418 -4.045 1.00 0.00 H new ATOM 0 HG21 THR A 817 4.305 -1.444 -4.068 1.00 0.00 H new ATOM 0 HG22 THR A 817 3.671 -3.001 -4.650 1.00 0.00 H new ATOM 0 HG23 THR A 817 4.822 -2.961 -3.293 1.00 0.00 H new ATOM 645 N VAL A 818 5.153 -5.326 -3.638 1.00 0.00 N ATOM 646 CA VAL A 818 5.197 -5.929 -2.307 1.00 0.00 C ATOM 647 C VAL A 818 6.008 -7.232 -2.282 1.00 0.00 C ATOM 648 O VAL A 818 7.018 -7.306 -1.584 1.00 0.00 O ATOM 649 CB VAL A 818 3.785 -6.169 -1.733 1.00 0.00 C ATOM 650 CG1 VAL A 818 3.872 -6.826 -0.365 1.00 0.00 C ATOM 651 CG2 VAL A 818 3.012 -4.862 -1.652 1.00 0.00 C ATOM 0 H VAL A 818 4.226 -5.298 -4.064 1.00 0.00 H new ATOM 0 HA VAL A 818 5.706 -5.206 -1.669 1.00 0.00 H new ATOM 0 HB VAL A 818 3.250 -6.841 -2.403 1.00 0.00 H new ATOM 0 HG11 VAL A 818 2.867 -6.988 0.025 1.00 0.00 H new ATOM 0 HG12 VAL A 818 4.386 -7.783 -0.453 1.00 0.00 H new ATOM 0 HG13 VAL A 818 4.425 -6.178 0.315 1.00 0.00 H new ATOM 0 HG21 VAL A 818 2.019 -5.051 -1.245 1.00 0.00 H new ATOM 0 HG22 VAL A 818 3.543 -4.165 -1.004 1.00 0.00 H new ATOM 0 HG23 VAL A 818 2.919 -4.432 -2.649 1.00 0.00 H new ATOM 661 N PRO A 819 5.600 -8.281 -3.034 1.00 0.00 N ATOM 662 CA PRO A 819 6.326 -9.555 -3.041 1.00 0.00 C ATOM 663 C PRO A 819 7.766 -9.393 -3.521 1.00 0.00 C ATOM 664 O PRO A 819 8.678 -10.054 -3.021 1.00 0.00 O ATOM 665 CB PRO A 819 5.527 -10.438 -4.009 1.00 0.00 C ATOM 666 CG PRO A 819 4.688 -9.497 -4.803 1.00 0.00 C ATOM 667 CD PRO A 819 4.417 -8.321 -3.911 1.00 0.00 C ATOM 0 HA PRO A 819 6.403 -9.980 -2.040 1.00 0.00 H new ATOM 0 HB2 PRO A 819 6.191 -11.013 -4.655 1.00 0.00 H new ATOM 0 HB3 PRO A 819 4.909 -11.154 -3.468 1.00 0.00 H new ATOM 0 HG2 PRO A 819 5.205 -9.186 -5.711 1.00 0.00 H new ATOM 0 HG3 PRO A 819 3.758 -9.972 -5.113 1.00 0.00 H new ATOM 0 HD2 PRO A 819 4.309 -7.399 -4.483 1.00 0.00 H new ATOM 0 HD3 PRO A 819 3.498 -8.452 -3.340 1.00 0.00 H new ATOM 675 N ASP A 820 7.966 -8.487 -4.470 1.00 0.00 N ATOM 676 CA ASP A 820 9.291 -8.240 -5.025 1.00 0.00 C ATOM 677 C ASP A 820 10.187 -7.551 -4.004 1.00 0.00 C ATOM 678 O ASP A 820 11.380 -7.848 -3.909 1.00 0.00 O ATOM 679 CB ASP A 820 9.196 -7.392 -6.293 1.00 0.00 C ATOM 680 CG ASP A 820 10.143 -7.873 -7.373 1.00 0.00 C ATOM 681 OD1 ASP A 820 10.247 -9.100 -7.573 1.00 0.00 O ATOM 682 OD2 ASP A 820 10.786 -7.030 -8.034 1.00 0.00 O ATOM 0 H ASP A 820 7.227 -7.910 -4.872 1.00 0.00 H new ATOM 0 HA ASP A 820 9.732 -9.204 -5.280 1.00 0.00 H new ATOM 0 HB2 ASP A 820 8.174 -7.418 -6.670 1.00 0.00 H new ATOM 0 HB3 ASP A 820 9.420 -6.353 -6.051 1.00 0.00 H new ATOM 687 N ASP A 821 9.606 -6.635 -3.236 1.00 0.00 N ATOM 688 CA ASP A 821 10.340 -5.943 -2.182 1.00 0.00 C ATOM 689 C ASP A 821 10.640 -6.903 -1.039 1.00 0.00 C ATOM 690 O ASP A 821 11.641 -6.759 -0.340 1.00 0.00 O ATOM 691 CB ASP A 821 9.550 -4.740 -1.655 1.00 0.00 C ATOM 692 CG ASP A 821 9.864 -3.453 -2.398 1.00 0.00 C ATOM 693 OD1 ASP A 821 11.055 -3.180 -2.665 1.00 0.00 O ATOM 694 OD2 ASP A 821 8.919 -2.704 -2.722 1.00 0.00 O ATOM 0 H ASP A 821 8.629 -6.355 -3.324 1.00 0.00 H new ATOM 0 HA ASP A 821 11.276 -5.579 -2.606 1.00 0.00 H new ATOM 0 HB2 ASP A 821 8.483 -4.949 -1.736 1.00 0.00 H new ATOM 0 HB3 ASP A 821 9.769 -4.604 -0.596 1.00 0.00 H new ATOM 699 N VAL A 822 9.765 -7.887 -0.853 1.00 0.00 N ATOM 700 CA VAL A 822 9.978 -8.930 0.144 1.00 0.00 C ATOM 701 C VAL A 822 11.214 -9.761 -0.210 1.00 0.00 C ATOM 702 O VAL A 822 12.058 -10.031 0.647 1.00 0.00 O ATOM 703 CB VAL A 822 8.738 -9.849 0.280 1.00 0.00 C ATOM 704 CG1 VAL A 822 9.071 -11.127 1.037 1.00 0.00 C ATOM 705 CG2 VAL A 822 7.605 -9.105 0.971 1.00 0.00 C ATOM 0 H VAL A 822 8.898 -7.983 -1.382 1.00 0.00 H new ATOM 0 HA VAL A 822 10.139 -8.441 1.105 1.00 0.00 H new ATOM 0 HB VAL A 822 8.419 -10.131 -0.724 1.00 0.00 H new ATOM 0 HG11 VAL A 822 8.178 -11.748 1.114 1.00 0.00 H new ATOM 0 HG12 VAL A 822 9.848 -11.674 0.503 1.00 0.00 H new ATOM 0 HG13 VAL A 822 9.425 -10.876 2.037 1.00 0.00 H new ATOM 0 HG21 VAL A 822 6.740 -9.762 1.060 1.00 0.00 H new ATOM 0 HG22 VAL A 822 7.927 -8.792 1.964 1.00 0.00 H new ATOM 0 HG23 VAL A 822 7.335 -8.227 0.384 1.00 0.00 H new ATOM 715 N LYS A 823 11.326 -10.146 -1.478 1.00 0.00 N ATOM 716 CA LYS A 823 12.509 -10.861 -1.958 1.00 0.00 C ATOM 717 C LYS A 823 13.735 -9.962 -1.863 1.00 0.00 C ATOM 718 O LYS A 823 14.839 -10.419 -1.561 1.00 0.00 O ATOM 719 CB LYS A 823 12.313 -11.319 -3.403 1.00 0.00 C ATOM 720 CG LYS A 823 11.140 -12.266 -3.590 1.00 0.00 C ATOM 721 CD LYS A 823 10.458 -12.041 -4.929 1.00 0.00 C ATOM 722 CE LYS A 823 10.045 -13.352 -5.574 1.00 0.00 C ATOM 723 NZ LYS A 823 10.470 -13.425 -6.995 1.00 0.00 N ATOM 0 H LYS A 823 10.616 -9.977 -2.191 1.00 0.00 H new ATOM 0 HA LYS A 823 12.658 -11.740 -1.332 1.00 0.00 H new ATOM 0 HB2 LYS A 823 12.166 -10.444 -4.035 1.00 0.00 H new ATOM 0 HB3 LYS A 823 13.224 -11.811 -3.746 1.00 0.00 H new ATOM 0 HG2 LYS A 823 11.488 -13.297 -3.525 1.00 0.00 H new ATOM 0 HG3 LYS A 823 10.421 -12.121 -2.784 1.00 0.00 H new ATOM 0 HD2 LYS A 823 9.579 -11.411 -4.789 1.00 0.00 H new ATOM 0 HD3 LYS A 823 11.132 -11.504 -5.596 1.00 0.00 H new ATOM 0 HE2 LYS A 823 10.482 -14.183 -5.021 1.00 0.00 H new ATOM 0 HE3 LYS A 823 8.962 -13.462 -5.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 823 10.170 -14.334 -7.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 823 10.033 -12.647 -7.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 823 11.505 -13.345 -7.052 1.00 0.00 H new ATOM 737 N ARG A 824 13.528 -8.679 -2.122 1.00 0.00 N ATOM 738 CA ARG A 824 14.580 -7.688 -1.970 1.00 0.00 C ATOM 739 C ARG A 824 15.043 -7.643 -0.517 1.00 0.00 C ATOM 740 O ARG A 824 16.239 -7.675 -0.248 1.00 0.00 O ATOM 741 CB ARG A 824 14.078 -6.312 -2.422 1.00 0.00 C ATOM 742 CG ARG A 824 14.851 -5.140 -1.837 1.00 0.00 C ATOM 743 CD ARG A 824 14.161 -3.823 -2.136 1.00 0.00 C ATOM 744 NE ARG A 824 14.907 -3.025 -3.103 1.00 0.00 N ATOM 745 CZ ARG A 824 14.392 -1.997 -3.769 1.00 0.00 C ATOM 746 NH1 ARG A 824 13.112 -1.680 -3.625 1.00 0.00 N ATOM 747 NH2 ARG A 824 15.153 -1.297 -4.598 1.00 0.00 N ATOM 0 H ARG A 824 12.636 -8.300 -2.440 1.00 0.00 H new ATOM 0 HA ARG A 824 15.428 -7.966 -2.597 1.00 0.00 H new ATOM 0 HB2 ARG A 824 14.129 -6.259 -3.510 1.00 0.00 H new ATOM 0 HB3 ARG A 824 13.028 -6.213 -2.147 1.00 0.00 H new ATOM 0 HG2 ARG A 824 14.947 -5.266 -0.759 1.00 0.00 H new ATOM 0 HG3 ARG A 824 15.861 -5.126 -2.247 1.00 0.00 H new ATOM 0 HD2 ARG A 824 13.160 -4.017 -2.521 1.00 0.00 H new ATOM 0 HD3 ARG A 824 14.043 -3.257 -1.212 1.00 0.00 H new ATOM 0 HE ARG A 824 15.881 -3.271 -3.278 1.00 0.00 H new ATOM 0 HH11 ARG A 824 12.518 -2.226 -3.001 1.00 0.00 H new ATOM 0 HH12 ARG A 824 12.721 -0.890 -4.138 1.00 0.00 H new ATOM 0 HH21 ARG A 824 16.134 -1.547 -4.725 1.00 0.00 H new ATOM 0 HH22 ARG A 824 14.758 -0.508 -5.109 1.00 0.00 H new ATOM 761 N LEU A 825 14.086 -7.593 0.409 1.00 0.00 N ATOM 762 CA LEU A 825 14.384 -7.629 1.839 1.00 0.00 C ATOM 763 C LEU A 825 15.266 -8.828 2.166 1.00 0.00 C ATOM 764 O LEU A 825 16.259 -8.701 2.875 1.00 0.00 O ATOM 765 CB LEU A 825 13.093 -7.699 2.658 1.00 0.00 C ATOM 766 CG LEU A 825 12.392 -6.361 2.890 1.00 0.00 C ATOM 767 CD1 LEU A 825 10.935 -6.586 3.264 1.00 0.00 C ATOM 768 CD2 LEU A 825 13.107 -5.567 3.972 1.00 0.00 C ATOM 0 H LEU A 825 13.092 -7.527 0.191 1.00 0.00 H new ATOM 0 HA LEU A 825 14.915 -6.713 2.099 1.00 0.00 H new ATOM 0 HB2 LEU A 825 12.399 -8.371 2.154 1.00 0.00 H new ATOM 0 HB3 LEU A 825 13.321 -8.144 3.627 1.00 0.00 H new ATOM 0 HG LEU A 825 12.425 -5.785 1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 825 10.448 -5.624 3.426 1.00 0.00 H new ATOM 0 HD12 LEU A 825 10.430 -7.117 2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 825 10.881 -7.179 4.177 1.00 0.00 H new ATOM 0 HD21 LEU A 825 12.595 -4.617 4.125 1.00 0.00 H new ATOM 0 HD22 LEU A 825 13.103 -6.135 4.902 1.00 0.00 H new ATOM 0 HD23 LEU A 825 14.136 -5.379 3.666 1.00 0.00 H new ATOM 780 N TYR A 826 14.901 -9.986 1.623 1.00 0.00 N ATOM 781 CA TYR A 826 15.691 -11.207 1.781 1.00 0.00 C ATOM 782 C TYR A 826 17.125 -10.979 1.314 1.00 0.00 C ATOM 783 O TYR A 826 18.085 -11.367 1.983 1.00 0.00 O ATOM 784 CB TYR A 826 15.068 -12.343 0.964 1.00 0.00 C ATOM 785 CG TYR A 826 13.834 -12.953 1.586 1.00 0.00 C ATOM 786 CD1 TYR A 826 13.727 -13.115 2.962 1.00 0.00 C ATOM 787 CD2 TYR A 826 12.775 -13.368 0.791 1.00 0.00 C ATOM 788 CE1 TYR A 826 12.599 -13.674 3.525 1.00 0.00 C ATOM 789 CE2 TYR A 826 11.642 -13.925 1.348 1.00 0.00 C ATOM 790 CZ TYR A 826 11.560 -14.079 2.714 1.00 0.00 C ATOM 791 OH TYR A 826 10.430 -14.630 3.271 1.00 0.00 O ATOM 0 H TYR A 826 14.056 -10.106 1.065 1.00 0.00 H new ATOM 0 HA TYR A 826 15.698 -11.477 2.837 1.00 0.00 H new ATOM 0 HB2 TYR A 826 14.812 -11.965 -0.026 1.00 0.00 H new ATOM 0 HB3 TYR A 826 15.814 -13.125 0.824 1.00 0.00 H new ATOM 0 HD1 TYR A 826 14.539 -12.799 3.600 1.00 0.00 H new ATOM 0 HD2 TYR A 826 12.839 -13.253 -0.281 1.00 0.00 H new ATOM 0 HE1 TYR A 826 12.530 -13.794 4.596 1.00 0.00 H new ATOM 0 HE2 TYR A 826 10.824 -14.238 0.716 1.00 0.00 H new ATOM 0 HH TYR A 826 9.794 -14.860 2.561 1.00 0.00 H new ATOM 801 N THR A 827 17.251 -10.318 0.171 1.00 0.00 N ATOM 802 CA THR A 827 18.539 -10.084 -0.453 1.00 0.00 C ATOM 803 C THR A 827 19.389 -9.133 0.380 1.00 0.00 C ATOM 804 O THR A 827 20.561 -9.400 0.645 1.00 0.00 O ATOM 805 CB THR A 827 18.342 -9.490 -1.859 1.00 0.00 C ATOM 806 OG1 THR A 827 17.376 -10.264 -2.583 1.00 0.00 O ATOM 807 CG2 THR A 827 19.650 -9.444 -2.634 1.00 0.00 C ATOM 0 H THR A 827 16.462 -9.931 -0.346 1.00 0.00 H new ATOM 0 HA THR A 827 19.056 -11.041 -0.525 1.00 0.00 H new ATOM 0 HB THR A 827 17.983 -8.467 -1.744 1.00 0.00 H new ATOM 0 HG1 THR A 827 16.485 -10.111 -2.205 1.00 0.00 H new ATOM 0 HG21 THR A 827 19.473 -9.019 -3.622 1.00 0.00 H new ATOM 0 HG22 THR A 827 20.370 -8.826 -2.097 1.00 0.00 H new ATOM 0 HG23 THR A 827 20.046 -10.454 -2.739 1.00 0.00 H new ATOM 815 N GLU A 828 18.780 -8.043 0.825 1.00 0.00 N ATOM 816 CA GLU A 828 19.493 -7.023 1.573 1.00 0.00 C ATOM 817 C GLU A 828 19.786 -7.494 2.992 1.00 0.00 C ATOM 818 O GLU A 828 20.813 -7.143 3.566 1.00 0.00 O ATOM 819 CB GLU A 828 18.693 -5.717 1.595 1.00 0.00 C ATOM 820 CG GLU A 828 18.095 -5.343 0.244 1.00 0.00 C ATOM 821 CD GLU A 828 19.135 -5.236 -0.855 1.00 0.00 C ATOM 822 OE1 GLU A 828 20.239 -4.721 -0.591 1.00 0.00 O ATOM 823 OE2 GLU A 828 18.852 -5.673 -1.993 1.00 0.00 O ATOM 0 H GLU A 828 17.790 -7.844 0.679 1.00 0.00 H new ATOM 0 HA GLU A 828 20.444 -6.839 1.074 1.00 0.00 H new ATOM 0 HB2 GLU A 828 17.890 -5.806 2.326 1.00 0.00 H new ATOM 0 HB3 GLU A 828 19.342 -4.909 1.931 1.00 0.00 H new ATOM 0 HG2 GLU A 828 17.352 -6.089 -0.038 1.00 0.00 H new ATOM 0 HG3 GLU A 828 17.572 -4.391 0.335 1.00 0.00 H new ATOM 830 N ALA A 829 18.894 -8.305 3.549 1.00 0.00 N ATOM 831 CA ALA A 829 19.092 -8.851 4.885 1.00 0.00 C ATOM 832 C ALA A 829 20.260 -9.825 4.896 1.00 0.00 C ATOM 833 O ALA A 829 21.019 -9.884 5.860 1.00 0.00 O ATOM 834 CB ALA A 829 17.827 -9.534 5.381 1.00 0.00 C ATOM 0 H ALA A 829 18.028 -8.598 3.096 1.00 0.00 H new ATOM 0 HA ALA A 829 19.323 -8.026 5.559 1.00 0.00 H new ATOM 0 HB1 ALA A 829 17.998 -9.934 6.380 1.00 0.00 H new ATOM 0 HB2 ALA A 829 17.012 -8.811 5.414 1.00 0.00 H new ATOM 0 HB3 ALA A 829 17.563 -10.347 4.705 1.00 0.00 H new ATOM 840 N ALA A 830 20.399 -10.581 3.811 1.00 0.00 N ATOM 841 CA ALA A 830 21.501 -11.523 3.668 1.00 0.00 C ATOM 842 C ALA A 830 22.851 -10.811 3.748 1.00 0.00 C ATOM 843 O ALA A 830 23.770 -11.278 4.421 1.00 0.00 O ATOM 844 CB ALA A 830 21.379 -12.280 2.355 1.00 0.00 C ATOM 0 H ALA A 830 19.760 -10.558 3.017 1.00 0.00 H new ATOM 0 HA ALA A 830 21.447 -12.234 4.493 1.00 0.00 H new ATOM 0 HB1 ALA A 830 22.209 -12.981 2.261 1.00 0.00 H new ATOM 0 HB2 ALA A 830 20.437 -12.828 2.337 1.00 0.00 H new ATOM 0 HB3 ALA A 830 21.404 -11.574 1.525 1.00 0.00 H new ATOM 850 N THR A 831 22.960 -9.678 3.063 1.00 0.00 N ATOM 851 CA THR A 831 24.181 -8.880 3.077 1.00 0.00 C ATOM 852 C THR A 831 24.219 -7.936 4.282 1.00 0.00 C ATOM 853 O THR A 831 25.227 -7.272 4.532 1.00 0.00 O ATOM 854 CB THR A 831 24.304 -8.061 1.778 1.00 0.00 C ATOM 855 OG1 THR A 831 23.285 -8.469 0.851 1.00 0.00 O ATOM 856 CG2 THR A 831 25.673 -8.247 1.144 1.00 0.00 C ATOM 0 H THR A 831 22.213 -9.290 2.488 1.00 0.00 H new ATOM 0 HA THR A 831 25.022 -9.570 3.153 1.00 0.00 H new ATOM 0 HB THR A 831 24.179 -7.007 2.024 1.00 0.00 H new ATOM 0 HG1 THR A 831 23.364 -7.945 0.026 1.00 0.00 H new ATOM 0 HG21 THR A 831 25.733 -7.658 0.229 1.00 0.00 H new ATOM 0 HG22 THR A 831 26.444 -7.916 1.840 1.00 0.00 H new ATOM 0 HG23 THR A 831 25.825 -9.300 0.908 1.00 0.00 H new ATOM 864 N SER A 832 23.106 -7.879 5.015 1.00 0.00 N ATOM 865 CA SER A 832 22.980 -7.049 6.204 1.00 0.00 C ATOM 866 C SER A 832 23.023 -5.570 5.836 1.00 0.00 C ATOM 867 O SER A 832 23.575 -4.745 6.564 1.00 0.00 O ATOM 868 CB SER A 832 24.061 -7.394 7.233 1.00 0.00 C ATOM 869 OG SER A 832 23.853 -8.689 7.779 1.00 0.00 O ATOM 0 H SER A 832 22.265 -8.412 4.795 1.00 0.00 H new ATOM 0 HA SER A 832 22.012 -7.255 6.660 1.00 0.00 H new ATOM 0 HB2 SER A 832 25.043 -7.348 6.763 1.00 0.00 H new ATOM 0 HB3 SER A 832 24.056 -6.654 8.033 1.00 0.00 H new ATOM 0 HG SER A 832 24.557 -8.886 8.432 1.00 0.00 H new ATOM 875 N ASP A 833 22.424 -5.242 4.697 1.00 0.00 N ATOM 876 CA ASP A 833 22.298 -3.856 4.267 1.00 0.00 C ATOM 877 C ASP A 833 21.115 -3.216 4.976 1.00 0.00 C ATOM 878 O ASP A 833 20.037 -3.044 4.404 1.00 0.00 O ATOM 879 CB ASP A 833 22.123 -3.765 2.749 1.00 0.00 C ATOM 880 CG ASP A 833 22.388 -2.369 2.214 1.00 0.00 C ATOM 881 OD1 ASP A 833 21.949 -1.383 2.848 1.00 0.00 O ATOM 882 OD2 ASP A 833 23.032 -2.248 1.155 1.00 0.00 O ATOM 0 H ASP A 833 22.017 -5.920 4.053 1.00 0.00 H new ATOM 0 HA ASP A 833 23.212 -3.322 4.528 1.00 0.00 H new ATOM 0 HB2 ASP A 833 22.800 -4.470 2.266 1.00 0.00 H new ATOM 0 HB3 ASP A 833 21.109 -4.065 2.485 1.00 0.00 H new ATOM 887 N PHE A 834 21.322 -2.898 6.239 1.00 0.00 N ATOM 888 CA PHE A 834 20.273 -2.328 7.079 1.00 0.00 C ATOM 889 C PHE A 834 19.793 -0.973 6.571 1.00 0.00 C ATOM 890 O PHE A 834 18.661 -0.570 6.847 1.00 0.00 O ATOM 891 CB PHE A 834 20.753 -2.219 8.529 1.00 0.00 C ATOM 892 CG PHE A 834 21.223 -3.529 9.095 1.00 0.00 C ATOM 893 CD1 PHE A 834 20.319 -4.543 9.367 1.00 0.00 C ATOM 894 CD2 PHE A 834 22.567 -3.746 9.345 1.00 0.00 C ATOM 895 CE1 PHE A 834 20.749 -5.752 9.880 1.00 0.00 C ATOM 896 CE2 PHE A 834 23.002 -4.953 9.854 1.00 0.00 C ATOM 897 CZ PHE A 834 22.092 -5.957 10.124 1.00 0.00 C ATOM 0 H PHE A 834 22.215 -3.024 6.715 1.00 0.00 H new ATOM 0 HA PHE A 834 19.420 -3.005 7.033 1.00 0.00 H new ATOM 0 HB2 PHE A 834 21.566 -1.494 8.583 1.00 0.00 H new ATOM 0 HB3 PHE A 834 19.941 -1.834 9.146 1.00 0.00 H new ATOM 0 HD1 PHE A 834 19.267 -4.387 9.176 1.00 0.00 H new ATOM 0 HD2 PHE A 834 23.282 -2.963 9.140 1.00 0.00 H new ATOM 0 HE1 PHE A 834 20.035 -6.535 10.090 1.00 0.00 H new ATOM 0 HE2 PHE A 834 24.054 -5.113 10.041 1.00 0.00 H new ATOM 0 HZ PHE A 834 22.431 -6.901 10.525 1.00 0.00 H new ATOM 907 N ALA A 835 20.639 -0.274 5.828 1.00 0.00 N ATOM 908 CA ALA A 835 20.238 0.985 5.218 1.00 0.00 C ATOM 909 C ALA A 835 19.181 0.735 4.147 1.00 0.00 C ATOM 910 O ALA A 835 18.192 1.468 4.039 1.00 0.00 O ATOM 911 CB ALA A 835 21.441 1.700 4.624 1.00 0.00 C ATOM 0 H ALA A 835 21.600 -0.555 5.634 1.00 0.00 H new ATOM 0 HA ALA A 835 19.810 1.625 5.990 1.00 0.00 H new ATOM 0 HB1 ALA A 835 21.120 2.639 4.173 1.00 0.00 H new ATOM 0 HB2 ALA A 835 22.167 1.905 5.410 1.00 0.00 H new ATOM 0 HB3 ALA A 835 21.899 1.069 3.862 1.00 0.00 H new ATOM 917 N ALA A 836 19.376 -0.333 3.377 1.00 0.00 N ATOM 918 CA ALA A 836 18.443 -0.690 2.319 1.00 0.00 C ATOM 919 C ALA A 836 17.213 -1.347 2.918 1.00 0.00 C ATOM 920 O ALA A 836 16.097 -1.163 2.437 1.00 0.00 O ATOM 921 CB ALA A 836 19.098 -1.612 1.301 1.00 0.00 C ATOM 0 H ALA A 836 20.172 -0.964 3.468 1.00 0.00 H new ATOM 0 HA ALA A 836 18.143 0.220 1.800 1.00 0.00 H new ATOM 0 HB1 ALA A 836 18.379 -1.863 0.522 1.00 0.00 H new ATOM 0 HB2 ALA A 836 19.956 -1.110 0.855 1.00 0.00 H new ATOM 0 HB3 ALA A 836 19.429 -2.525 1.797 1.00 0.00 H new ATOM 927 N LEU A 837 17.431 -2.112 3.981 1.00 0.00 N ATOM 928 CA LEU A 837 16.346 -2.720 4.730 1.00 0.00 C ATOM 929 C LEU A 837 15.378 -1.652 5.229 1.00 0.00 C ATOM 930 O LEU A 837 14.163 -1.811 5.132 1.00 0.00 O ATOM 931 CB LEU A 837 16.909 -3.516 5.909 1.00 0.00 C ATOM 932 CG LEU A 837 16.519 -4.993 5.940 1.00 0.00 C ATOM 933 CD1 LEU A 837 16.801 -5.651 4.601 1.00 0.00 C ATOM 934 CD2 LEU A 837 17.256 -5.716 7.057 1.00 0.00 C ATOM 0 H LEU A 837 18.360 -2.325 4.344 1.00 0.00 H new ATOM 0 HA LEU A 837 15.802 -3.397 4.072 1.00 0.00 H new ATOM 0 HB2 LEU A 837 17.996 -3.444 5.890 1.00 0.00 H new ATOM 0 HB3 LEU A 837 16.575 -3.049 6.835 1.00 0.00 H new ATOM 0 HG LEU A 837 15.449 -5.060 6.134 1.00 0.00 H new ATOM 0 HD11 LEU A 837 16.516 -6.702 4.645 1.00 0.00 H new ATOM 0 HD12 LEU A 837 16.226 -5.151 3.822 1.00 0.00 H new ATOM 0 HD13 LEU A 837 17.864 -5.572 4.374 1.00 0.00 H new ATOM 0 HD21 LEU A 837 16.966 -6.767 7.064 1.00 0.00 H new ATOM 0 HD22 LEU A 837 18.331 -5.638 6.894 1.00 0.00 H new ATOM 0 HD23 LEU A 837 17.000 -5.263 8.015 1.00 0.00 H new ATOM 946 N ALA A 838 15.933 -0.557 5.739 1.00 0.00 N ATOM 947 CA ALA A 838 15.129 0.563 6.207 1.00 0.00 C ATOM 948 C ALA A 838 14.386 1.218 5.050 1.00 0.00 C ATOM 949 O ALA A 838 13.201 1.533 5.162 1.00 0.00 O ATOM 950 CB ALA A 838 16.005 1.582 6.919 1.00 0.00 C ATOM 0 H ALA A 838 16.939 -0.423 5.838 1.00 0.00 H new ATOM 0 HA ALA A 838 14.391 0.182 6.913 1.00 0.00 H new ATOM 0 HB1 ALA A 838 15.390 2.413 7.263 1.00 0.00 H new ATOM 0 HB2 ALA A 838 16.490 1.111 7.774 1.00 0.00 H new ATOM 0 HB3 ALA A 838 16.764 1.953 6.231 1.00 0.00 H new ATOM 956 N GLN A 839 15.090 1.422 3.939 1.00 0.00 N ATOM 957 CA GLN A 839 14.483 2.008 2.746 1.00 0.00 C ATOM 958 C GLN A 839 13.315 1.154 2.253 1.00 0.00 C ATOM 959 O GLN A 839 12.237 1.673 1.949 1.00 0.00 O ATOM 960 CB GLN A 839 15.520 2.165 1.633 1.00 0.00 C ATOM 961 CG GLN A 839 16.484 3.323 1.851 1.00 0.00 C ATOM 962 CD GLN A 839 15.804 4.575 2.373 1.00 0.00 C ATOM 963 OE1 GLN A 839 15.643 4.756 3.582 1.00 0.00 O ATOM 964 NE2 GLN A 839 15.403 5.449 1.466 1.00 0.00 N ATOM 0 H GLN A 839 16.079 1.191 3.840 1.00 0.00 H new ATOM 0 HA GLN A 839 14.104 2.994 3.015 1.00 0.00 H new ATOM 0 HB2 GLN A 839 16.091 1.240 1.548 1.00 0.00 H new ATOM 0 HB3 GLN A 839 15.003 2.309 0.685 1.00 0.00 H new ATOM 0 HG2 GLN A 839 17.257 3.016 2.556 1.00 0.00 H new ATOM 0 HG3 GLN A 839 16.984 3.554 0.910 1.00 0.00 H new ATOM 0 HE21 GLN A 839 15.555 5.262 0.475 1.00 0.00 H new ATOM 0 HE22 GLN A 839 14.941 6.311 1.757 1.00 0.00 H new ATOM 973 N THR A 840 13.534 -0.155 2.190 1.00 0.00 N ATOM 974 CA THR A 840 12.504 -1.087 1.753 1.00 0.00 C ATOM 975 C THR A 840 11.331 -1.104 2.730 1.00 0.00 C ATOM 976 O THR A 840 10.170 -1.061 2.319 1.00 0.00 O ATOM 977 CB THR A 840 13.068 -2.513 1.605 1.00 0.00 C ATOM 978 OG1 THR A 840 14.337 -2.474 0.935 1.00 0.00 O ATOM 979 CG2 THR A 840 12.106 -3.395 0.825 1.00 0.00 C ATOM 0 H THR A 840 14.420 -0.595 2.438 1.00 0.00 H new ATOM 0 HA THR A 840 12.152 -0.745 0.780 1.00 0.00 H new ATOM 0 HB THR A 840 13.198 -2.934 2.602 1.00 0.00 H new ATOM 0 HG1 THR A 840 15.045 -2.289 1.586 1.00 0.00 H new ATOM 0 HG21 THR A 840 12.525 -4.397 0.733 1.00 0.00 H new ATOM 0 HG22 THR A 840 11.153 -3.447 1.351 1.00 0.00 H new ATOM 0 HG23 THR A 840 11.950 -2.974 -0.168 1.00 0.00 H new ATOM 987 N ALA A 841 11.636 -1.141 4.023 1.00 0.00 N ATOM 988 CA ALA A 841 10.601 -1.126 5.047 1.00 0.00 C ATOM 989 C ALA A 841 9.766 0.145 4.945 1.00 0.00 C ATOM 990 O ALA A 841 8.550 0.115 5.120 1.00 0.00 O ATOM 991 CB ALA A 841 11.220 -1.248 6.430 1.00 0.00 C ATOM 0 H ALA A 841 12.589 -1.181 4.385 1.00 0.00 H new ATOM 0 HA ALA A 841 9.945 -1.981 4.886 1.00 0.00 H new ATOM 0 HB1 ALA A 841 10.433 -1.235 7.184 1.00 0.00 H new ATOM 0 HB2 ALA A 841 11.774 -2.184 6.500 1.00 0.00 H new ATOM 0 HB3 ALA A 841 11.898 -0.412 6.600 1.00 0.00 H new ATOM 997 N HIS A 842 10.432 1.257 4.647 1.00 0.00 N ATOM 998 CA HIS A 842 9.763 2.541 4.464 1.00 0.00 C ATOM 999 C HIS A 842 8.808 2.487 3.274 1.00 0.00 C ATOM 1000 O HIS A 842 7.677 2.972 3.347 1.00 0.00 O ATOM 1001 CB HIS A 842 10.802 3.648 4.258 1.00 0.00 C ATOM 1002 CG HIS A 842 10.232 5.036 4.297 1.00 0.00 C ATOM 1003 ND1 HIS A 842 10.230 5.819 5.431 1.00 0.00 N ATOM 1004 CD2 HIS A 842 9.649 5.781 3.327 1.00 0.00 C ATOM 1005 CE1 HIS A 842 9.672 6.985 5.155 1.00 0.00 C ATOM 1006 NE2 HIS A 842 9.308 6.986 3.885 1.00 0.00 N ATOM 0 H HIS A 842 11.444 1.294 4.526 1.00 0.00 H new ATOM 0 HA HIS A 842 9.182 2.760 5.360 1.00 0.00 H new ATOM 0 HB2 HIS A 842 11.569 3.560 5.027 1.00 0.00 H new ATOM 0 HB3 HIS A 842 11.295 3.496 3.298 1.00 0.00 H new ATOM 0 HD2 HIS A 842 9.483 5.481 2.303 1.00 0.00 H new ATOM 0 HE1 HIS A 842 9.536 7.800 5.851 1.00 0.00 H new ATOM 0 HE2 HIS A 842 8.849 7.757 3.399 1.00 0.00 H new ATOM 1015 N ARG A 843 9.273 1.894 2.182 1.00 0.00 N ATOM 1016 CA ARG A 843 8.453 1.741 0.987 1.00 0.00 C ATOM 1017 C ARG A 843 7.237 0.873 1.287 1.00 0.00 C ATOM 1018 O ARG A 843 6.119 1.188 0.876 1.00 0.00 O ATOM 1019 CB ARG A 843 9.269 1.116 -0.146 1.00 0.00 C ATOM 1020 CG ARG A 843 9.133 1.845 -1.475 1.00 0.00 C ATOM 1021 CD ARG A 843 8.277 1.066 -2.466 1.00 0.00 C ATOM 1022 NE ARG A 843 8.995 -0.060 -3.063 1.00 0.00 N ATOM 1023 CZ ARG A 843 9.776 0.027 -4.141 1.00 0.00 C ATOM 1024 NH1 ARG A 843 9.956 1.187 -4.763 1.00 0.00 N ATOM 1025 NH2 ARG A 843 10.379 -1.063 -4.598 1.00 0.00 N ATOM 0 H ARG A 843 10.215 1.511 2.099 1.00 0.00 H new ATOM 0 HA ARG A 843 8.116 2.729 0.674 1.00 0.00 H new ATOM 0 HB2 ARG A 843 10.320 1.099 0.142 1.00 0.00 H new ATOM 0 HB3 ARG A 843 8.957 0.080 -0.277 1.00 0.00 H new ATOM 0 HG2 ARG A 843 8.691 2.827 -1.307 1.00 0.00 H new ATOM 0 HG3 ARG A 843 10.122 2.010 -1.901 1.00 0.00 H new ATOM 0 HD2 ARG A 843 7.386 0.697 -1.959 1.00 0.00 H new ATOM 0 HD3 ARG A 843 7.940 1.737 -3.256 1.00 0.00 H new ATOM 0 HE ARG A 843 8.891 -0.975 -2.625 1.00 0.00 H new ATOM 0 HH11 ARG A 843 9.494 2.028 -4.417 1.00 0.00 H new ATOM 0 HH12 ARG A 843 10.556 1.237 -5.586 1.00 0.00 H new ATOM 0 HH21 ARG A 843 10.243 -1.957 -4.126 1.00 0.00 H new ATOM 0 HH22 ARG A 843 10.978 -1.007 -5.422 1.00 0.00 H new ATOM 1039 N LEU A 844 7.469 -0.208 2.024 1.00 0.00 N ATOM 1040 CA LEU A 844 6.415 -1.153 2.357 1.00 0.00 C ATOM 1041 C LEU A 844 5.370 -0.525 3.279 1.00 0.00 C ATOM 1042 O LEU A 844 4.179 -0.562 2.978 1.00 0.00 O ATOM 1043 CB LEU A 844 7.008 -2.404 3.007 1.00 0.00 C ATOM 1044 CG LEU A 844 7.497 -3.480 2.031 1.00 0.00 C ATOM 1045 CD1 LEU A 844 7.670 -4.806 2.752 1.00 0.00 C ATOM 1046 CD2 LEU A 844 6.531 -3.632 0.866 1.00 0.00 C ATOM 0 H LEU A 844 8.384 -0.450 2.403 1.00 0.00 H new ATOM 0 HA LEU A 844 5.917 -1.435 1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 844 7.844 -2.104 3.639 1.00 0.00 H new ATOM 0 HB3 LEU A 844 6.256 -2.845 3.661 1.00 0.00 H new ATOM 0 HG LEU A 844 8.463 -3.169 1.634 1.00 0.00 H new ATOM 0 HD11 LEU A 844 8.018 -5.561 2.047 1.00 0.00 H new ATOM 0 HD12 LEU A 844 8.402 -4.692 3.552 1.00 0.00 H new ATOM 0 HD13 LEU A 844 6.715 -5.117 3.175 1.00 0.00 H new ATOM 0 HD21 LEU A 844 6.899 -4.401 0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 844 5.549 -3.920 1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 844 6.452 -2.685 0.333 1.00 0.00 H new ATOM 1058 N LYS A 845 5.813 0.062 4.392 1.00 0.00 N ATOM 1059 CA LYS A 845 4.888 0.663 5.351 1.00 0.00 C ATOM 1060 C LYS A 845 4.034 1.739 4.683 1.00 0.00 C ATOM 1061 O LYS A 845 2.826 1.830 4.924 1.00 0.00 O ATOM 1062 CB LYS A 845 5.644 1.243 6.560 1.00 0.00 C ATOM 1063 CG LYS A 845 6.679 2.305 6.209 1.00 0.00 C ATOM 1064 CD LYS A 845 7.582 2.626 7.393 1.00 0.00 C ATOM 1065 CE LYS A 845 6.776 3.100 8.586 1.00 0.00 C ATOM 1066 NZ LYS A 845 7.629 3.628 9.685 1.00 0.00 N ATOM 0 H LYS A 845 6.797 0.133 4.649 1.00 0.00 H new ATOM 0 HA LYS A 845 4.225 -0.123 5.712 1.00 0.00 H new ATOM 0 HB2 LYS A 845 4.920 1.674 7.252 1.00 0.00 H new ATOM 0 HB3 LYS A 845 6.142 0.428 7.086 1.00 0.00 H new ATOM 0 HG2 LYS A 845 7.286 1.959 5.372 1.00 0.00 H new ATOM 0 HG3 LYS A 845 6.172 3.213 5.882 1.00 0.00 H new ATOM 0 HD2 LYS A 845 8.155 1.740 7.667 1.00 0.00 H new ATOM 0 HD3 LYS A 845 8.300 3.395 7.108 1.00 0.00 H new ATOM 0 HE2 LYS A 845 6.083 3.877 8.265 1.00 0.00 H new ATOM 0 HE3 LYS A 845 6.175 2.273 8.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 845 7.298 3.248 10.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 845 8.616 3.339 9.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 845 7.571 4.666 9.701 1.00 0.00 H new ATOM 1080 N GLY A 846 4.663 2.528 3.822 1.00 0.00 N ATOM 1081 CA GLY A 846 3.954 3.583 3.134 1.00 0.00 C ATOM 1082 C GLY A 846 2.973 3.055 2.108 1.00 0.00 C ATOM 1083 O GLY A 846 1.819 3.484 2.068 1.00 0.00 O ATOM 0 H GLY A 846 5.653 2.454 3.589 1.00 0.00 H new ATOM 0 HA2 GLY A 846 3.419 4.191 3.863 1.00 0.00 H new ATOM 0 HA3 GLY A 846 4.673 4.237 2.640 1.00 0.00 H new ATOM 1087 N VAL A 847 3.417 2.117 1.279 1.00 0.00 N ATOM 1088 CA VAL A 847 2.565 1.579 0.228 1.00 0.00 C ATOM 1089 C VAL A 847 1.432 0.733 0.811 1.00 0.00 C ATOM 1090 O VAL A 847 0.334 0.714 0.266 1.00 0.00 O ATOM 1091 CB VAL A 847 3.372 0.769 -0.820 1.00 0.00 C ATOM 1092 CG1 VAL A 847 3.696 -0.635 -0.329 1.00 0.00 C ATOM 1093 CG2 VAL A 847 2.619 0.720 -2.142 1.00 0.00 C ATOM 0 H VAL A 847 4.355 1.717 1.314 1.00 0.00 H new ATOM 0 HA VAL A 847 2.124 2.432 -0.288 1.00 0.00 H new ATOM 0 HB VAL A 847 4.322 1.281 -0.974 1.00 0.00 H new ATOM 0 HG11 VAL A 847 4.262 -1.167 -1.094 1.00 0.00 H new ATOM 0 HG12 VAL A 847 4.289 -0.574 0.584 1.00 0.00 H new ATOM 0 HG13 VAL A 847 2.770 -1.172 -0.124 1.00 0.00 H new ATOM 0 HG21 VAL A 847 3.196 0.149 -2.869 1.00 0.00 H new ATOM 0 HG22 VAL A 847 1.651 0.243 -1.992 1.00 0.00 H new ATOM 0 HG23 VAL A 847 2.470 1.734 -2.514 1.00 0.00 H new ATOM 1103 N PHE A 848 1.680 0.068 1.935 1.00 0.00 N ATOM 1104 CA PHE A 848 0.643 -0.726 2.584 1.00 0.00 C ATOM 1105 C PHE A 848 -0.435 0.194 3.141 1.00 0.00 C ATOM 1106 O PHE A 848 -1.631 -0.051 2.965 1.00 0.00 O ATOM 1107 CB PHE A 848 1.237 -1.597 3.693 1.00 0.00 C ATOM 1108 CG PHE A 848 1.555 -2.998 3.244 1.00 0.00 C ATOM 1109 CD1 PHE A 848 2.709 -3.265 2.526 1.00 0.00 C ATOM 1110 CD2 PHE A 848 0.698 -4.046 3.537 1.00 0.00 C ATOM 1111 CE1 PHE A 848 3.001 -4.550 2.109 1.00 0.00 C ATOM 1112 CE2 PHE A 848 0.983 -5.333 3.120 1.00 0.00 C ATOM 1113 CZ PHE A 848 2.137 -5.586 2.406 1.00 0.00 C ATOM 0 H PHE A 848 2.582 0.063 2.412 1.00 0.00 H new ATOM 0 HA PHE A 848 0.195 -1.390 1.845 1.00 0.00 H new ATOM 0 HB2 PHE A 848 2.147 -1.127 4.066 1.00 0.00 H new ATOM 0 HB3 PHE A 848 0.536 -1.640 4.526 1.00 0.00 H new ATOM 0 HD1 PHE A 848 3.389 -2.460 2.289 1.00 0.00 H new ATOM 0 HD2 PHE A 848 -0.205 -3.855 4.099 1.00 0.00 H new ATOM 0 HE1 PHE A 848 3.905 -4.744 1.551 1.00 0.00 H new ATOM 0 HE2 PHE A 848 0.303 -6.140 3.353 1.00 0.00 H new ATOM 0 HZ PHE A 848 2.364 -6.591 2.081 1.00 0.00 H new ATOM 1123 N ALA A 849 -0.003 1.276 3.783 1.00 0.00 N ATOM 1124 CA ALA A 849 -0.926 2.285 4.281 1.00 0.00 C ATOM 1125 C ALA A 849 -1.717 2.899 3.129 1.00 0.00 C ATOM 1126 O ALA A 849 -2.887 3.251 3.277 1.00 0.00 O ATOM 1127 CB ALA A 849 -0.166 3.361 5.037 1.00 0.00 C ATOM 0 H ALA A 849 0.980 1.474 3.969 1.00 0.00 H new ATOM 0 HA ALA A 849 -1.629 1.809 4.964 1.00 0.00 H new ATOM 0 HB1 ALA A 849 -0.866 4.111 5.405 1.00 0.00 H new ATOM 0 HB2 ALA A 849 0.360 2.911 5.879 1.00 0.00 H new ATOM 0 HB3 ALA A 849 0.555 3.834 4.370 1.00 0.00 H new ATOM 1133 N MET A 850 -1.065 3.007 1.976 1.00 0.00 N ATOM 1134 CA MET A 850 -1.691 3.537 0.774 1.00 0.00 C ATOM 1135 C MET A 850 -2.699 2.539 0.196 1.00 0.00 C ATOM 1136 O MET A 850 -3.764 2.927 -0.283 1.00 0.00 O ATOM 1137 CB MET A 850 -0.617 3.894 -0.260 1.00 0.00 C ATOM 1138 CG MET A 850 -1.069 3.736 -1.696 1.00 0.00 C ATOM 1139 SD MET A 850 -0.623 5.146 -2.729 1.00 0.00 S ATOM 1140 CE MET A 850 -2.243 5.677 -3.282 1.00 0.00 C ATOM 0 H MET A 850 -0.091 2.730 1.850 1.00 0.00 H new ATOM 0 HA MET A 850 -2.238 4.443 1.035 1.00 0.00 H new ATOM 0 HB2 MET A 850 -0.302 4.925 -0.100 1.00 0.00 H new ATOM 0 HB3 MET A 850 0.257 3.264 -0.093 1.00 0.00 H new ATOM 0 HG2 MET A 850 -0.627 2.831 -2.114 1.00 0.00 H new ATOM 0 HG3 MET A 850 -2.151 3.602 -1.719 1.00 0.00 H new ATOM 0 HE1 MET A 850 -2.139 6.545 -3.933 1.00 0.00 H new ATOM 0 HE2 MET A 850 -2.724 4.867 -3.831 1.00 0.00 H new ATOM 0 HE3 MET A 850 -2.853 5.943 -2.419 1.00 0.00 H new ATOM 1150 N LEU A 851 -2.362 1.253 0.257 1.00 0.00 N ATOM 1151 CA LEU A 851 -3.246 0.199 -0.237 1.00 0.00 C ATOM 1152 C LEU A 851 -4.335 -0.113 0.785 1.00 0.00 C ATOM 1153 O LEU A 851 -5.219 -0.929 0.528 1.00 0.00 O ATOM 1154 CB LEU A 851 -2.447 -1.071 -0.552 1.00 0.00 C ATOM 1155 CG LEU A 851 -1.333 -0.904 -1.588 1.00 0.00 C ATOM 1156 CD1 LEU A 851 -0.476 -2.159 -1.657 1.00 0.00 C ATOM 1157 CD2 LEU A 851 -1.914 -0.578 -2.955 1.00 0.00 C ATOM 0 H LEU A 851 -1.481 0.915 0.644 1.00 0.00 H new ATOM 0 HA LEU A 851 -3.717 0.555 -1.153 1.00 0.00 H new ATOM 0 HB2 LEU A 851 -2.007 -1.442 0.374 1.00 0.00 H new ATOM 0 HB3 LEU A 851 -3.138 -1.836 -0.906 1.00 0.00 H new ATOM 0 HG LEU A 851 -0.701 -0.072 -1.279 1.00 0.00 H new ATOM 0 HD11 LEU A 851 0.311 -2.022 -2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 851 -0.027 -2.347 -0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 851 -1.097 -3.009 -1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 851 -1.105 -0.463 -3.676 1.00 0.00 H new ATOM 0 HD22 LEU A 851 -2.572 -1.387 -3.273 1.00 0.00 H new ATOM 0 HD23 LEU A 851 -2.482 0.350 -2.897 1.00 0.00 H new ATOM 1169 N ASN A 852 -4.222 0.518 1.959 1.00 0.00 N ATOM 1170 CA ASN A 852 -5.235 0.440 3.019 1.00 0.00 C ATOM 1171 C ASN A 852 -5.081 -0.841 3.821 1.00 0.00 C ATOM 1172 O ASN A 852 -5.974 -1.242 4.568 1.00 0.00 O ATOM 1173 CB ASN A 852 -6.661 0.557 2.463 1.00 0.00 C ATOM 1174 CG ASN A 852 -7.485 1.585 3.211 1.00 0.00 C ATOM 1175 OD1 ASN A 852 -8.343 1.240 4.025 1.00 0.00 O ATOM 1176 ND2 ASN A 852 -7.231 2.856 2.938 1.00 0.00 N ATOM 0 H ASN A 852 -3.421 1.101 2.202 1.00 0.00 H new ATOM 0 HA ASN A 852 -5.071 1.290 3.681 1.00 0.00 H new ATOM 0 HB2 ASN A 852 -6.617 0.827 1.408 1.00 0.00 H new ATOM 0 HB3 ASN A 852 -7.153 -0.414 2.523 1.00 0.00 H new ATOM 0 HD21 ASN A 852 -7.755 3.593 3.409 1.00 0.00 H new ATOM 0 HD22 ASN A 852 -6.511 3.097 2.257 1.00 0.00 H new ATOM 1183 N LEU A 853 -3.929 -1.471 3.674 1.00 0.00 N ATOM 1184 CA LEU A 853 -3.605 -2.657 4.442 1.00 0.00 C ATOM 1185 C LEU A 853 -2.966 -2.244 5.762 1.00 0.00 C ATOM 1186 O LEU A 853 -1.758 -2.391 5.960 1.00 0.00 O ATOM 1187 CB LEU A 853 -2.668 -3.565 3.646 1.00 0.00 C ATOM 1188 CG LEU A 853 -3.322 -4.824 3.072 1.00 0.00 C ATOM 1189 CD1 LEU A 853 -2.726 -5.161 1.715 1.00 0.00 C ATOM 1190 CD2 LEU A 853 -3.160 -5.991 4.034 1.00 0.00 C ATOM 0 H LEU A 853 -3.199 -1.177 3.025 1.00 0.00 H new ATOM 0 HA LEU A 853 -4.518 -3.216 4.650 1.00 0.00 H new ATOM 0 HB2 LEU A 853 -2.239 -2.990 2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 853 -1.842 -3.864 4.291 1.00 0.00 H new ATOM 0 HG LEU A 853 -4.387 -4.633 2.940 1.00 0.00 H new ATOM 0 HD11 LEU A 853 -3.202 -6.059 1.321 1.00 0.00 H new ATOM 0 HD12 LEU A 853 -2.892 -4.331 1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 853 -1.655 -5.335 1.821 1.00 0.00 H new ATOM 0 HD21 LEU A 853 -3.630 -6.879 3.611 1.00 0.00 H new ATOM 0 HD22 LEU A 853 -2.100 -6.184 4.196 1.00 0.00 H new ATOM 0 HD23 LEU A 853 -3.634 -5.747 4.985 1.00 0.00 H new ATOM 1202 N VAL A 854 -3.801 -1.715 6.654 1.00 0.00 N ATOM 1203 CA VAL A 854 -3.353 -1.169 7.937 1.00 0.00 C ATOM 1204 C VAL A 854 -2.431 -2.130 8.701 1.00 0.00 C ATOM 1205 O VAL A 854 -1.306 -1.755 9.032 1.00 0.00 O ATOM 1206 CB VAL A 854 -4.539 -0.765 8.847 1.00 0.00 C ATOM 1207 CG1 VAL A 854 -4.251 0.565 9.524 1.00 0.00 C ATOM 1208 CG2 VAL A 854 -5.841 -0.691 8.059 1.00 0.00 C ATOM 0 H VAL A 854 -4.809 -1.652 6.509 1.00 0.00 H new ATOM 0 HA VAL A 854 -2.782 -0.276 7.684 1.00 0.00 H new ATOM 0 HB VAL A 854 -4.656 -1.533 9.611 1.00 0.00 H new ATOM 0 HG11 VAL A 854 -5.092 0.839 10.161 1.00 0.00 H new ATOM 0 HG12 VAL A 854 -3.350 0.477 10.131 1.00 0.00 H new ATOM 0 HG13 VAL A 854 -4.104 1.335 8.766 1.00 0.00 H new ATOM 0 HG21 VAL A 854 -6.654 -0.405 8.726 1.00 0.00 H new ATOM 0 HG22 VAL A 854 -5.745 0.050 7.266 1.00 0.00 H new ATOM 0 HG23 VAL A 854 -6.057 -1.665 7.621 1.00 0.00 H new ATOM 1218 N PRO A 855 -2.871 -3.378 8.987 1.00 0.00 N ATOM 1219 CA PRO A 855 -2.043 -4.353 9.715 1.00 0.00 C ATOM 1220 C PRO A 855 -0.688 -4.578 9.049 1.00 0.00 C ATOM 1221 O PRO A 855 0.326 -4.761 9.725 1.00 0.00 O ATOM 1222 CB PRO A 855 -2.877 -5.635 9.676 1.00 0.00 C ATOM 1223 CG PRO A 855 -4.279 -5.170 9.505 1.00 0.00 C ATOM 1224 CD PRO A 855 -4.196 -3.942 8.648 1.00 0.00 C ATOM 0 HA PRO A 855 -1.811 -4.012 10.724 1.00 0.00 H new ATOM 0 HB2 PRO A 855 -2.571 -6.281 8.853 1.00 0.00 H new ATOM 0 HB3 PRO A 855 -2.760 -6.211 10.594 1.00 0.00 H new ATOM 0 HG2 PRO A 855 -4.891 -5.937 9.032 1.00 0.00 H new ATOM 0 HG3 PRO A 855 -4.738 -4.945 10.468 1.00 0.00 H new ATOM 0 HD2 PRO A 855 -4.270 -4.186 7.588 1.00 0.00 H new ATOM 0 HD3 PRO A 855 -5.000 -3.241 8.871 1.00 0.00 H new ATOM 1232 N GLY A 856 -0.680 -4.540 7.719 1.00 0.00 N ATOM 1233 CA GLY A 856 0.552 -4.717 6.974 1.00 0.00 C ATOM 1234 C GLY A 856 1.520 -3.574 7.199 1.00 0.00 C ATOM 1235 O GLY A 856 2.722 -3.789 7.360 1.00 0.00 O ATOM 0 H GLY A 856 -1.509 -4.389 7.144 1.00 0.00 H new ATOM 0 HA2 GLY A 856 1.023 -5.655 7.270 1.00 0.00 H new ATOM 0 HA3 GLY A 856 0.325 -4.796 5.911 1.00 0.00 H new ATOM 1239 N LYS A 857 0.992 -2.354 7.225 1.00 0.00 N ATOM 1240 CA LYS A 857 1.807 -1.176 7.498 1.00 0.00 C ATOM 1241 C LYS A 857 2.417 -1.273 8.894 1.00 0.00 C ATOM 1242 O LYS A 857 3.595 -0.974 9.085 1.00 0.00 O ATOM 1243 CB LYS A 857 0.971 0.104 7.360 1.00 0.00 C ATOM 1244 CG LYS A 857 1.567 1.317 8.067 1.00 0.00 C ATOM 1245 CD LYS A 857 0.497 2.331 8.451 1.00 0.00 C ATOM 1246 CE LYS A 857 0.922 3.174 9.646 1.00 0.00 C ATOM 1247 NZ LYS A 857 1.952 4.186 9.282 1.00 0.00 N ATOM 0 H LYS A 857 0.005 -2.156 7.061 1.00 0.00 H new ATOM 0 HA LYS A 857 2.614 -1.133 6.767 1.00 0.00 H new ATOM 0 HB2 LYS A 857 0.853 0.336 6.301 1.00 0.00 H new ATOM 0 HB3 LYS A 857 -0.026 -0.082 7.759 1.00 0.00 H new ATOM 0 HG2 LYS A 857 2.097 0.992 8.962 1.00 0.00 H new ATOM 0 HG3 LYS A 857 2.301 1.792 7.417 1.00 0.00 H new ATOM 0 HD2 LYS A 857 0.291 2.982 7.601 1.00 0.00 H new ATOM 0 HD3 LYS A 857 -0.431 1.810 8.685 1.00 0.00 H new ATOM 0 HE2 LYS A 857 0.050 3.679 10.061 1.00 0.00 H new ATOM 0 HE3 LYS A 857 1.315 2.523 10.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 857 2.769 4.095 9.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 857 2.259 4.031 8.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 857 1.548 5.140 9.372 1.00 0.00 H new ATOM 1261 N GLN A 858 1.611 -1.712 9.858 1.00 0.00 N ATOM 1262 CA GLN A 858 2.067 -1.881 11.235 1.00 0.00 C ATOM 1263 C GLN A 858 3.185 -2.917 11.306 1.00 0.00 C ATOM 1264 O GLN A 858 4.128 -2.779 12.088 1.00 0.00 O ATOM 1265 CB GLN A 858 0.901 -2.300 12.139 1.00 0.00 C ATOM 1266 CG GLN A 858 -0.340 -1.434 11.976 1.00 0.00 C ATOM 1267 CD GLN A 858 -1.160 -1.334 13.244 1.00 0.00 C ATOM 1268 OE1 GLN A 858 -2.266 -1.868 13.328 1.00 0.00 O ATOM 1269 NE2 GLN A 858 -0.628 -0.642 14.238 1.00 0.00 N ATOM 0 H GLN A 858 0.633 -1.958 9.709 1.00 0.00 H new ATOM 0 HA GLN A 858 2.455 -0.925 11.586 1.00 0.00 H new ATOM 0 HB2 GLN A 858 0.641 -3.337 11.925 1.00 0.00 H new ATOM 0 HB3 GLN A 858 1.226 -2.261 13.179 1.00 0.00 H new ATOM 0 HG2 GLN A 858 -0.040 -0.434 11.664 1.00 0.00 H new ATOM 0 HG3 GLN A 858 -0.961 -1.844 11.179 1.00 0.00 H new ATOM 0 HE21 GLN A 858 0.292 -0.215 14.127 1.00 0.00 H new ATOM 0 HE22 GLN A 858 -1.138 -0.535 15.115 1.00 0.00 H new ATOM 1278 N LEU A 859 3.081 -3.949 10.475 1.00 0.00 N ATOM 1279 CA LEU A 859 4.118 -4.969 10.393 1.00 0.00 C ATOM 1280 C LEU A 859 5.429 -4.349 9.920 1.00 0.00 C ATOM 1281 O LEU A 859 6.490 -4.610 10.482 1.00 0.00 O ATOM 1282 CB LEU A 859 3.695 -6.093 9.443 1.00 0.00 C ATOM 1283 CG LEU A 859 3.088 -7.325 10.116 1.00 0.00 C ATOM 1284 CD1 LEU A 859 1.769 -7.694 9.461 1.00 0.00 C ATOM 1285 CD2 LEU A 859 4.056 -8.497 10.053 1.00 0.00 C ATOM 0 H LEU A 859 2.289 -4.100 9.850 1.00 0.00 H new ATOM 0 HA LEU A 859 4.264 -5.392 11.387 1.00 0.00 H new ATOM 0 HB2 LEU A 859 2.970 -5.693 8.734 1.00 0.00 H new ATOM 0 HB3 LEU A 859 4.566 -6.406 8.867 1.00 0.00 H new ATOM 0 HG LEU A 859 2.900 -7.087 11.163 1.00 0.00 H new ATOM 0 HD11 LEU A 859 1.352 -8.573 9.953 1.00 0.00 H new ATOM 0 HD12 LEU A 859 1.072 -6.861 9.553 1.00 0.00 H new ATOM 0 HD13 LEU A 859 1.935 -7.913 8.406 1.00 0.00 H new ATOM 0 HD21 LEU A 859 3.608 -9.365 10.536 1.00 0.00 H new ATOM 0 HD22 LEU A 859 4.274 -8.734 9.011 1.00 0.00 H new ATOM 0 HD23 LEU A 859 4.981 -8.233 10.566 1.00 0.00 H new ATOM 1297 N CYS A 860 5.341 -3.505 8.901 1.00 0.00 N ATOM 1298 CA CYS A 860 6.518 -2.841 8.354 1.00 0.00 C ATOM 1299 C CYS A 860 7.064 -1.792 9.324 1.00 0.00 C ATOM 1300 O CYS A 860 8.257 -1.484 9.314 1.00 0.00 O ATOM 1301 CB CYS A 860 6.181 -2.201 7.009 1.00 0.00 C ATOM 1302 SG CYS A 860 5.256 -3.283 5.894 1.00 0.00 S ATOM 0 H CYS A 860 4.466 -3.263 8.436 1.00 0.00 H new ATOM 0 HA CYS A 860 7.294 -3.592 8.205 1.00 0.00 H new ATOM 0 HB2 CYS A 860 5.601 -1.295 7.184 1.00 0.00 H new ATOM 0 HB3 CYS A 860 7.107 -1.898 6.520 1.00 0.00 H new ATOM 0 HG CYS A 860 4.201 -3.736 6.505 1.00 0.00 H new ATOM 1308 N GLU A 861 6.186 -1.253 10.165 1.00 0.00 N ATOM 1309 CA GLU A 861 6.596 -0.315 11.205 1.00 0.00 C ATOM 1310 C GLU A 861 7.526 -1.007 12.188 1.00 0.00 C ATOM 1311 O GLU A 861 8.639 -0.547 12.447 1.00 0.00 O ATOM 1312 CB GLU A 861 5.376 0.233 11.948 1.00 0.00 C ATOM 1313 CG GLU A 861 4.521 1.170 11.112 1.00 0.00 C ATOM 1314 CD GLU A 861 4.888 2.623 11.309 1.00 0.00 C ATOM 1315 OE1 GLU A 861 6.030 2.901 11.728 1.00 0.00 O ATOM 1316 OE2 GLU A 861 4.034 3.495 11.035 1.00 0.00 O ATOM 0 H GLU A 861 5.185 -1.450 10.146 1.00 0.00 H new ATOM 0 HA GLU A 861 7.120 0.516 10.733 1.00 0.00 H new ATOM 0 HB2 GLU A 861 4.761 -0.602 12.285 1.00 0.00 H new ATOM 0 HB3 GLU A 861 5.712 0.761 12.840 1.00 0.00 H new ATOM 0 HG2 GLU A 861 4.629 0.911 10.059 1.00 0.00 H new ATOM 0 HG3 GLU A 861 3.472 1.026 11.370 1.00 0.00 H new ATOM 1323 N THR A 862 7.067 -2.125 12.720 1.00 0.00 N ATOM 1324 CA THR A 862 7.868 -2.911 13.634 1.00 0.00 C ATOM 1325 C THR A 862 9.101 -3.473 12.923 1.00 0.00 C ATOM 1326 O THR A 862 10.154 -3.636 13.533 1.00 0.00 O ATOM 1327 CB THR A 862 7.029 -4.041 14.258 1.00 0.00 C ATOM 1328 OG1 THR A 862 5.871 -3.478 14.894 1.00 0.00 O ATOM 1329 CG2 THR A 862 7.834 -4.831 15.278 1.00 0.00 C ATOM 0 H THR A 862 6.140 -2.508 12.533 1.00 0.00 H new ATOM 0 HA THR A 862 8.209 -2.260 14.439 1.00 0.00 H new ATOM 0 HB THR A 862 6.728 -4.722 13.462 1.00 0.00 H new ATOM 0 HG1 THR A 862 5.334 -4.196 15.291 1.00 0.00 H new ATOM 0 HG21 THR A 862 7.212 -5.621 15.699 1.00 0.00 H new ATOM 0 HG22 THR A 862 8.703 -5.274 14.792 1.00 0.00 H new ATOM 0 HG23 THR A 862 8.165 -4.165 16.075 1.00 0.00 H new ATOM 1337 N LEU A 863 8.973 -3.736 11.625 1.00 0.00 N ATOM 1338 CA LEU A 863 10.099 -4.200 10.822 1.00 0.00 C ATOM 1339 C LEU A 863 11.232 -3.175 10.832 1.00 0.00 C ATOM 1340 O LEU A 863 12.368 -3.512 11.162 1.00 0.00 O ATOM 1341 CB LEU A 863 9.661 -4.472 9.379 1.00 0.00 C ATOM 1342 CG LEU A 863 10.069 -5.835 8.804 1.00 0.00 C ATOM 1343 CD1 LEU A 863 11.249 -6.426 9.562 1.00 0.00 C ATOM 1344 CD2 LEU A 863 8.891 -6.791 8.831 1.00 0.00 C ATOM 0 H LEU A 863 8.100 -3.635 11.107 1.00 0.00 H new ATOM 0 HA LEU A 863 10.461 -5.129 11.262 1.00 0.00 H new ATOM 0 HB2 LEU A 863 8.576 -4.387 9.326 1.00 0.00 H new ATOM 0 HB3 LEU A 863 10.074 -3.691 8.740 1.00 0.00 H new ATOM 0 HG LEU A 863 10.379 -5.684 7.770 1.00 0.00 H new ATOM 0 HD11 LEU A 863 11.513 -7.391 9.130 1.00 0.00 H new ATOM 0 HD12 LEU A 863 12.102 -5.751 9.491 1.00 0.00 H new ATOM 0 HD13 LEU A 863 10.979 -6.560 10.609 1.00 0.00 H new ATOM 0 HD21 LEU A 863 9.194 -7.754 8.420 1.00 0.00 H new ATOM 0 HD22 LEU A 863 8.554 -6.925 9.859 1.00 0.00 H new ATOM 0 HD23 LEU A 863 8.077 -6.382 8.233 1.00 0.00 H new ATOM 1356 N GLU A 864 10.922 -1.923 10.487 1.00 0.00 N ATOM 1357 CA GLU A 864 11.934 -0.867 10.470 1.00 0.00 C ATOM 1358 C GLU A 864 12.508 -0.663 11.868 1.00 0.00 C ATOM 1359 O GLU A 864 13.692 -0.358 12.029 1.00 0.00 O ATOM 1360 CB GLU A 864 11.351 0.447 9.921 1.00 0.00 C ATOM 1361 CG GLU A 864 10.567 1.265 10.940 1.00 0.00 C ATOM 1362 CD GLU A 864 10.865 2.749 10.869 1.00 0.00 C ATOM 1363 OE1 GLU A 864 10.263 3.433 10.011 1.00 0.00 O ATOM 1364 OE2 GLU A 864 11.682 3.241 11.679 1.00 0.00 O ATOM 0 H GLU A 864 9.986 -1.618 10.218 1.00 0.00 H new ATOM 0 HA GLU A 864 12.741 -1.176 9.806 1.00 0.00 H new ATOM 0 HB2 GLU A 864 12.167 1.058 9.534 1.00 0.00 H new ATOM 0 HB3 GLU A 864 10.698 0.216 9.079 1.00 0.00 H new ATOM 0 HG2 GLU A 864 9.500 1.107 10.780 1.00 0.00 H new ATOM 0 HG3 GLU A 864 10.797 0.902 11.942 1.00 0.00 H new ATOM 1371 N HIS A 865 11.664 -0.853 12.873 1.00 0.00 N ATOM 1372 CA HIS A 865 12.087 -0.770 14.262 1.00 0.00 C ATOM 1373 C HIS A 865 13.052 -1.905 14.588 1.00 0.00 C ATOM 1374 O HIS A 865 14.054 -1.697 15.257 1.00 0.00 O ATOM 1375 CB HIS A 865 10.861 -0.833 15.181 1.00 0.00 C ATOM 1376 CG HIS A 865 11.143 -0.526 16.621 1.00 0.00 C ATOM 1377 ND1 HIS A 865 10.925 0.710 17.179 1.00 0.00 N ATOM 1378 CD2 HIS A 865 11.591 -1.315 17.627 1.00 0.00 C ATOM 1379 CE1 HIS A 865 11.230 0.673 18.461 1.00 0.00 C ATOM 1380 NE2 HIS A 865 11.636 -0.545 18.763 1.00 0.00 N ATOM 0 H HIS A 865 10.675 -1.067 12.749 1.00 0.00 H new ATOM 0 HA HIS A 865 12.602 0.177 14.422 1.00 0.00 H new ATOM 0 HB2 HIS A 865 10.112 -0.132 14.814 1.00 0.00 H new ATOM 0 HB3 HIS A 865 10.424 -1.830 15.114 1.00 0.00 H new ATOM 0 HD2 HIS A 865 11.863 -2.357 17.550 1.00 0.00 H new ATOM 0 HE1 HIS A 865 11.159 1.502 19.149 1.00 0.00 H new ATOM 0 HE2 HIS A 865 11.934 -0.862 19.686 1.00 0.00 H new ATOM 1389 N LEU A 866 12.746 -3.101 14.106 1.00 0.00 N ATOM 1390 CA LEU A 866 13.588 -4.264 14.351 1.00 0.00 C ATOM 1391 C LEU A 866 14.944 -4.094 13.675 1.00 0.00 C ATOM 1392 O LEU A 866 15.980 -4.423 14.251 1.00 0.00 O ATOM 1393 CB LEU A 866 12.901 -5.535 13.843 1.00 0.00 C ATOM 1394 CG LEU A 866 11.718 -6.019 14.682 1.00 0.00 C ATOM 1395 CD1 LEU A 866 10.794 -6.887 13.845 1.00 0.00 C ATOM 1396 CD2 LEU A 866 12.207 -6.783 15.900 1.00 0.00 C ATOM 0 H LEU A 866 11.918 -3.292 13.541 1.00 0.00 H new ATOM 0 HA LEU A 866 13.744 -4.355 15.426 1.00 0.00 H new ATOM 0 HB2 LEU A 866 12.555 -5.359 12.825 1.00 0.00 H new ATOM 0 HB3 LEU A 866 13.641 -6.334 13.794 1.00 0.00 H new ATOM 0 HG LEU A 866 11.158 -5.149 15.024 1.00 0.00 H new ATOM 0 HD11 LEU A 866 9.957 -7.223 14.457 1.00 0.00 H new ATOM 0 HD12 LEU A 866 10.417 -6.309 13.001 1.00 0.00 H new ATOM 0 HD13 LEU A 866 11.344 -7.752 13.475 1.00 0.00 H new ATOM 0 HD21 LEU A 866 11.352 -7.120 16.486 1.00 0.00 H new ATOM 0 HD22 LEU A 866 12.789 -7.646 15.578 1.00 0.00 H new ATOM 0 HD23 LEU A 866 12.831 -6.132 16.512 1.00 0.00 H new ATOM 1408 N ILE A 867 14.929 -3.570 12.452 1.00 0.00 N ATOM 1409 CA ILE A 867 16.160 -3.279 11.725 1.00 0.00 C ATOM 1410 C ILE A 867 16.983 -2.240 12.479 1.00 0.00 C ATOM 1411 O ILE A 867 18.196 -2.383 12.644 1.00 0.00 O ATOM 1412 CB ILE A 867 15.868 -2.763 10.298 1.00 0.00 C ATOM 1413 CG1 ILE A 867 15.077 -3.804 9.504 1.00 0.00 C ATOM 1414 CG2 ILE A 867 17.161 -2.417 9.577 1.00 0.00 C ATOM 1415 CD1 ILE A 867 14.176 -3.201 8.448 1.00 0.00 C ATOM 0 H ILE A 867 14.076 -3.338 11.943 1.00 0.00 H new ATOM 0 HA ILE A 867 16.722 -4.209 11.646 1.00 0.00 H new ATOM 0 HB ILE A 867 15.267 -1.857 10.378 1.00 0.00 H new ATOM 0 HG12 ILE A 867 15.775 -4.491 9.026 1.00 0.00 H new ATOM 0 HG13 ILE A 867 14.472 -4.393 10.194 1.00 0.00 H new ATOM 0 HG21 ILE A 867 16.933 -2.056 8.574 1.00 0.00 H new ATOM 0 HG22 ILE A 867 17.690 -1.641 10.131 1.00 0.00 H new ATOM 0 HG23 ILE A 867 17.788 -3.306 9.509 1.00 0.00 H new ATOM 0 HD11 ILE A 867 13.646 -3.997 7.924 1.00 0.00 H new ATOM 0 HD12 ILE A 867 13.455 -2.535 8.922 1.00 0.00 H new ATOM 0 HD13 ILE A 867 14.778 -2.636 7.736 1.00 0.00 H new ATOM 1427 N ARG A 868 16.299 -1.213 12.962 1.00 0.00 N ATOM 1428 CA ARG A 868 16.934 -0.121 13.684 1.00 0.00 C ATOM 1429 C ARG A 868 17.505 -0.595 15.024 1.00 0.00 C ATOM 1430 O ARG A 868 18.488 -0.045 15.524 1.00 0.00 O ATOM 1431 CB ARG A 868 15.914 1.008 13.885 1.00 0.00 C ATOM 1432 CG ARG A 868 15.305 1.076 15.275 1.00 0.00 C ATOM 1433 CD ARG A 868 15.188 2.507 15.750 1.00 0.00 C ATOM 1434 NE ARG A 868 16.405 2.958 16.412 1.00 0.00 N ATOM 1435 CZ ARG A 868 16.448 3.407 17.662 1.00 0.00 C ATOM 1436 NH1 ARG A 868 15.327 3.534 18.367 1.00 0.00 N ATOM 1437 NH2 ARG A 868 17.612 3.758 18.192 1.00 0.00 N ATOM 0 H ARG A 868 15.289 -1.114 12.864 1.00 0.00 H new ATOM 0 HA ARG A 868 17.773 0.253 13.097 1.00 0.00 H new ATOM 0 HB2 ARG A 868 16.399 1.960 13.669 1.00 0.00 H new ATOM 0 HB3 ARG A 868 15.111 0.887 13.157 1.00 0.00 H new ATOM 0 HG2 ARG A 868 14.319 0.611 15.266 1.00 0.00 H new ATOM 0 HG3 ARG A 868 15.920 0.507 15.973 1.00 0.00 H new ATOM 0 HD2 ARG A 868 14.974 3.156 14.901 1.00 0.00 H new ATOM 0 HD3 ARG A 868 14.346 2.594 16.437 1.00 0.00 H new ATOM 0 HE ARG A 868 17.277 2.927 15.884 1.00 0.00 H new ATOM 0 HH11 ARG A 868 14.430 3.286 17.948 1.00 0.00 H new ATOM 0 HH12 ARG A 868 15.364 3.879 19.326 1.00 0.00 H new ATOM 0 HH21 ARG A 868 18.467 3.683 17.641 1.00 0.00 H new ATOM 0 HH22 ARG A 868 17.652 4.103 19.151 1.00 0.00 H new ATOM 1451 N GLU A 869 16.888 -1.626 15.592 1.00 0.00 N ATOM 1452 CA GLU A 869 17.319 -2.175 16.871 1.00 0.00 C ATOM 1453 C GLU A 869 18.283 -3.338 16.659 1.00 0.00 C ATOM 1454 O GLU A 869 18.716 -3.982 17.617 1.00 0.00 O ATOM 1455 CB GLU A 869 16.104 -2.638 17.677 1.00 0.00 C ATOM 1456 CG GLU A 869 15.184 -1.505 18.093 1.00 0.00 C ATOM 1457 CD GLU A 869 15.293 -1.168 19.563 1.00 0.00 C ATOM 1458 OE1 GLU A 869 16.318 -0.590 19.976 1.00 0.00 O ATOM 1459 OE2 GLU A 869 14.348 -1.483 20.315 1.00 0.00 O ATOM 0 H GLU A 869 16.083 -2.100 15.183 1.00 0.00 H new ATOM 0 HA GLU A 869 17.839 -1.394 17.427 1.00 0.00 H new ATOM 0 HB2 GLU A 869 15.537 -3.356 17.084 1.00 0.00 H new ATOM 0 HB3 GLU A 869 16.448 -3.162 18.569 1.00 0.00 H new ATOM 0 HG2 GLU A 869 15.418 -0.618 17.504 1.00 0.00 H new ATOM 0 HG3 GLU A 869 14.154 -1.777 17.863 1.00 0.00 H new ATOM 1466 N LYS A 870 18.600 -3.601 15.391 1.00 0.00 N ATOM 1467 CA LYS A 870 19.531 -4.665 15.010 1.00 0.00 C ATOM 1468 C LYS A 870 19.026 -6.035 15.452 1.00 0.00 C ATOM 1469 O LYS A 870 19.811 -6.950 15.712 1.00 0.00 O ATOM 1470 CB LYS A 870 20.922 -4.397 15.588 1.00 0.00 C ATOM 1471 CG LYS A 870 21.685 -3.315 14.845 1.00 0.00 C ATOM 1472 CD LYS A 870 21.581 -3.499 13.340 1.00 0.00 C ATOM 1473 CE LYS A 870 22.409 -2.468 12.594 1.00 0.00 C ATOM 1474 NZ LYS A 870 23.866 -2.752 12.684 1.00 0.00 N ATOM 0 H LYS A 870 18.219 -3.083 14.599 1.00 0.00 H new ATOM 0 HA LYS A 870 19.599 -4.669 13.922 1.00 0.00 H new ATOM 0 HB2 LYS A 870 20.823 -4.108 16.634 1.00 0.00 H new ATOM 0 HB3 LYS A 870 21.501 -5.320 15.565 1.00 0.00 H new ATOM 0 HG2 LYS A 870 21.294 -2.336 15.122 1.00 0.00 H new ATOM 0 HG3 LYS A 870 22.733 -3.335 15.144 1.00 0.00 H new ATOM 0 HD2 LYS A 870 21.917 -4.500 13.071 1.00 0.00 H new ATOM 0 HD3 LYS A 870 20.538 -3.420 13.034 1.00 0.00 H new ATOM 0 HE2 LYS A 870 22.107 -2.450 11.547 1.00 0.00 H new ATOM 0 HE3 LYS A 870 22.207 -1.477 13.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 870 24.390 -2.064 12.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 870 24.174 -2.677 13.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 870 24.055 -3.713 12.334 1.00 0.00 H new ATOM 1488 N ASP A 871 17.711 -6.173 15.514 1.00 0.00 N ATOM 1489 CA ASP A 871 17.085 -7.418 15.935 1.00 0.00 C ATOM 1490 C ASP A 871 16.867 -8.325 14.737 1.00 0.00 C ATOM 1491 O ASP A 871 15.742 -8.508 14.278 1.00 0.00 O ATOM 1492 CB ASP A 871 15.753 -7.138 16.631 1.00 0.00 C ATOM 1493 CG ASP A 871 15.538 -8.027 17.837 1.00 0.00 C ATOM 1494 OD1 ASP A 871 15.087 -9.180 17.665 1.00 0.00 O ATOM 1495 OD2 ASP A 871 15.821 -7.573 18.966 1.00 0.00 O ATOM 0 H ASP A 871 17.051 -5.432 15.276 1.00 0.00 H new ATOM 0 HA ASP A 871 17.748 -7.918 16.641 1.00 0.00 H new ATOM 0 HB2 ASP A 871 15.720 -6.094 16.942 1.00 0.00 H new ATOM 0 HB3 ASP A 871 14.937 -7.286 15.923 1.00 0.00 H new ATOM 1500 N VAL A 872 17.960 -8.883 14.234 1.00 0.00 N ATOM 1501 CA VAL A 872 17.927 -9.735 13.048 1.00 0.00 C ATOM 1502 C VAL A 872 16.928 -10.896 13.186 1.00 0.00 C ATOM 1503 O VAL A 872 16.130 -11.122 12.276 1.00 0.00 O ATOM 1504 CB VAL A 872 19.328 -10.285 12.705 1.00 0.00 C ATOM 1505 CG1 VAL A 872 19.323 -10.959 11.342 1.00 0.00 C ATOM 1506 CG2 VAL A 872 20.361 -9.167 12.742 1.00 0.00 C ATOM 0 H VAL A 872 18.891 -8.760 14.632 1.00 0.00 H new ATOM 0 HA VAL A 872 17.589 -9.099 12.230 1.00 0.00 H new ATOM 0 HB VAL A 872 19.596 -11.031 13.454 1.00 0.00 H new ATOM 0 HG11 VAL A 872 20.320 -11.339 11.120 1.00 0.00 H new ATOM 0 HG12 VAL A 872 18.612 -11.786 11.347 1.00 0.00 H new ATOM 0 HG13 VAL A 872 19.033 -10.236 10.580 1.00 0.00 H new ATOM 0 HG21 VAL A 872 21.343 -9.571 12.498 1.00 0.00 H new ATOM 0 HG22 VAL A 872 20.093 -8.400 12.015 1.00 0.00 H new ATOM 0 HG23 VAL A 872 20.387 -8.728 13.739 1.00 0.00 H new ATOM 1516 N PRO A 873 16.949 -11.655 14.306 1.00 0.00 N ATOM 1517 CA PRO A 873 15.967 -12.720 14.544 1.00 0.00 C ATOM 1518 C PRO A 873 14.528 -12.206 14.471 1.00 0.00 C ATOM 1519 O PRO A 873 13.648 -12.866 13.911 1.00 0.00 O ATOM 1520 CB PRO A 873 16.293 -13.219 15.960 1.00 0.00 C ATOM 1521 CG PRO A 873 17.184 -12.183 16.553 1.00 0.00 C ATOM 1522 CD PRO A 873 17.927 -11.574 15.403 1.00 0.00 C ATOM 0 HA PRO A 873 16.030 -13.503 13.788 1.00 0.00 H new ATOM 0 HB2 PRO A 873 15.386 -13.341 16.551 1.00 0.00 H new ATOM 0 HB3 PRO A 873 16.787 -14.190 15.930 1.00 0.00 H new ATOM 0 HG2 PRO A 873 16.605 -11.429 17.087 1.00 0.00 H new ATOM 0 HG3 PRO A 873 17.873 -12.626 17.273 1.00 0.00 H new ATOM 0 HD2 PRO A 873 18.219 -10.544 15.610 1.00 0.00 H new ATOM 0 HD3 PRO A 873 18.839 -12.124 15.173 1.00 0.00 H new ATOM 1530 N GLY A 874 14.300 -11.017 15.024 1.00 0.00 N ATOM 1531 CA GLY A 874 12.990 -10.402 14.956 1.00 0.00 C ATOM 1532 C GLY A 874 12.619 -10.016 13.536 1.00 0.00 C ATOM 1533 O GLY A 874 11.484 -10.234 13.103 1.00 0.00 O ATOM 0 H GLY A 874 15.004 -10.469 15.519 1.00 0.00 H new ATOM 0 HA2 GLY A 874 12.244 -11.092 15.351 1.00 0.00 H new ATOM 0 HA3 GLY A 874 12.972 -9.515 15.590 1.00 0.00 H new ATOM 1537 N ILE A 875 13.587 -9.453 12.812 1.00 0.00 N ATOM 1538 CA ILE A 875 13.401 -9.092 11.409 1.00 0.00 C ATOM 1539 C ILE A 875 12.991 -10.311 10.596 1.00 0.00 C ATOM 1540 O ILE A 875 11.983 -10.287 9.889 1.00 0.00 O ATOM 1541 CB ILE A 875 14.690 -8.495 10.793 1.00 0.00 C ATOM 1542 CG1 ILE A 875 15.077 -7.197 11.498 1.00 0.00 C ATOM 1543 CG2 ILE A 875 14.515 -8.246 9.301 1.00 0.00 C ATOM 1544 CD1 ILE A 875 16.537 -6.835 11.336 1.00 0.00 C ATOM 0 H ILE A 875 14.514 -9.236 13.179 1.00 0.00 H new ATOM 0 HA ILE A 875 12.615 -8.337 11.377 1.00 0.00 H new ATOM 0 HB ILE A 875 15.492 -9.220 10.932 1.00 0.00 H new ATOM 0 HG12 ILE A 875 14.464 -6.384 11.108 1.00 0.00 H new ATOM 0 HG13 ILE A 875 14.849 -7.288 12.560 1.00 0.00 H new ATOM 0 HG21 ILE A 875 15.434 -7.827 8.892 1.00 0.00 H new ATOM 0 HG22 ILE A 875 14.291 -9.187 8.799 1.00 0.00 H new ATOM 0 HG23 ILE A 875 13.695 -7.546 9.143 1.00 0.00 H new ATOM 0 HD11 ILE A 875 16.741 -5.902 11.862 1.00 0.00 H new ATOM 0 HD12 ILE A 875 17.157 -7.629 11.752 1.00 0.00 H new ATOM 0 HD13 ILE A 875 16.766 -6.712 10.277 1.00 0.00 H new ATOM 1556 N GLU A 876 13.773 -11.380 10.728 1.00 0.00 N ATOM 1557 CA GLU A 876 13.520 -12.621 10.005 1.00 0.00 C ATOM 1558 C GLU A 876 12.102 -13.111 10.262 1.00 0.00 C ATOM 1559 O GLU A 876 11.352 -13.396 9.326 1.00 0.00 O ATOM 1560 CB GLU A 876 14.516 -13.698 10.441 1.00 0.00 C ATOM 1561 CG GLU A 876 15.909 -13.519 9.864 1.00 0.00 C ATOM 1562 CD GLU A 876 16.628 -14.839 9.677 1.00 0.00 C ATOM 1563 OE1 GLU A 876 15.949 -15.862 9.451 1.00 0.00 O ATOM 1564 OE2 GLU A 876 17.874 -14.861 9.753 1.00 0.00 O ATOM 0 H GLU A 876 14.593 -11.410 11.334 1.00 0.00 H new ATOM 0 HA GLU A 876 13.640 -12.425 8.940 1.00 0.00 H new ATOM 0 HB2 GLU A 876 14.582 -13.699 11.529 1.00 0.00 H new ATOM 0 HB3 GLU A 876 14.133 -14.674 10.144 1.00 0.00 H new ATOM 0 HG2 GLU A 876 15.839 -13.007 8.904 1.00 0.00 H new ATOM 0 HG3 GLU A 876 16.494 -12.880 10.525 1.00 0.00 H new ATOM 1571 N LYS A 877 11.739 -13.171 11.540 1.00 0.00 N ATOM 1572 CA LYS A 877 10.432 -13.662 11.955 1.00 0.00 C ATOM 1573 C LYS A 877 9.307 -12.843 11.327 1.00 0.00 C ATOM 1574 O LYS A 877 8.366 -13.397 10.753 1.00 0.00 O ATOM 1575 CB LYS A 877 10.325 -13.621 13.485 1.00 0.00 C ATOM 1576 CG LYS A 877 8.929 -13.904 14.023 1.00 0.00 C ATOM 1577 CD LYS A 877 8.230 -12.623 14.457 1.00 0.00 C ATOM 1578 CE LYS A 877 7.103 -12.900 15.435 1.00 0.00 C ATOM 1579 NZ LYS A 877 6.011 -13.698 14.820 1.00 0.00 N ATOM 0 H LYS A 877 12.340 -12.882 12.312 1.00 0.00 H new ATOM 0 HA LYS A 877 10.328 -14.691 11.611 1.00 0.00 H new ATOM 0 HB2 LYS A 877 11.018 -14.349 13.906 1.00 0.00 H new ATOM 0 HB3 LYS A 877 10.644 -12.639 13.834 1.00 0.00 H new ATOM 0 HG2 LYS A 877 8.336 -14.402 13.256 1.00 0.00 H new ATOM 0 HG3 LYS A 877 8.995 -14.588 14.869 1.00 0.00 H new ATOM 0 HD2 LYS A 877 8.955 -11.952 14.918 1.00 0.00 H new ATOM 0 HD3 LYS A 877 7.833 -12.111 13.581 1.00 0.00 H new ATOM 0 HE2 LYS A 877 7.498 -13.433 16.300 1.00 0.00 H new ATOM 0 HE3 LYS A 877 6.700 -11.955 15.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 877 5.116 -13.172 14.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 877 6.233 -13.877 13.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 877 5.919 -14.604 15.322 1.00 0.00 H new ATOM 1593 N TYR A 878 9.409 -11.528 11.424 1.00 0.00 N ATOM 1594 CA TYR A 878 8.358 -10.654 10.930 1.00 0.00 C ATOM 1595 C TYR A 878 8.254 -10.717 9.411 1.00 0.00 C ATOM 1596 O TYR A 878 7.165 -10.590 8.858 1.00 0.00 O ATOM 1597 CB TYR A 878 8.582 -9.219 11.400 1.00 0.00 C ATOM 1598 CG TYR A 878 7.416 -8.665 12.189 1.00 0.00 C ATOM 1599 CD1 TYR A 878 6.650 -9.490 13.005 1.00 0.00 C ATOM 1600 CD2 TYR A 878 7.083 -7.320 12.119 1.00 0.00 C ATOM 1601 CE1 TYR A 878 5.582 -8.989 13.724 1.00 0.00 C ATOM 1602 CE2 TYR A 878 6.016 -6.813 12.836 1.00 0.00 C ATOM 1603 CZ TYR A 878 5.271 -7.649 13.638 1.00 0.00 C ATOM 1604 OH TYR A 878 4.211 -7.142 14.353 1.00 0.00 O ATOM 0 H TYR A 878 10.205 -11.044 11.838 1.00 0.00 H new ATOM 0 HA TYR A 878 7.412 -11.005 11.342 1.00 0.00 H new ATOM 0 HB2 TYR A 878 9.481 -9.181 12.016 1.00 0.00 H new ATOM 0 HB3 TYR A 878 8.762 -8.583 10.533 1.00 0.00 H new ATOM 0 HD1 TYR A 878 6.894 -10.540 13.078 1.00 0.00 H new ATOM 0 HD2 TYR A 878 7.666 -6.659 11.495 1.00 0.00 H new ATOM 0 HE1 TYR A 878 4.994 -9.644 14.350 1.00 0.00 H new ATOM 0 HE2 TYR A 878 5.767 -5.764 12.768 1.00 0.00 H new ATOM 0 HH TYR A 878 4.130 -6.181 14.180 1.00 0.00 H new ATOM 1614 N ILE A 879 9.378 -10.928 8.735 1.00 0.00 N ATOM 1615 CA ILE A 879 9.359 -11.068 7.287 1.00 0.00 C ATOM 1616 C ILE A 879 8.589 -12.326 6.878 1.00 0.00 C ATOM 1617 O ILE A 879 7.828 -12.301 5.913 1.00 0.00 O ATOM 1618 CB ILE A 879 10.781 -11.102 6.680 1.00 0.00 C ATOM 1619 CG1 ILE A 879 11.485 -9.760 6.897 1.00 0.00 C ATOM 1620 CG2 ILE A 879 10.718 -11.427 5.193 1.00 0.00 C ATOM 1621 CD1 ILE A 879 12.899 -9.723 6.357 1.00 0.00 C ATOM 0 H ILE A 879 10.302 -11.005 9.161 1.00 0.00 H new ATOM 0 HA ILE A 879 8.853 -10.187 6.892 1.00 0.00 H new ATOM 0 HB ILE A 879 11.352 -11.883 7.183 1.00 0.00 H new ATOM 0 HG12 ILE A 879 10.902 -8.972 6.420 1.00 0.00 H new ATOM 0 HG13 ILE A 879 11.507 -9.539 7.964 1.00 0.00 H new ATOM 0 HG21 ILE A 879 11.727 -11.447 4.782 1.00 0.00 H new ATOM 0 HG22 ILE A 879 10.250 -12.401 5.053 1.00 0.00 H new ATOM 0 HG23 ILE A 879 10.132 -10.666 4.679 1.00 0.00 H new ATOM 0 HD11 ILE A 879 13.335 -8.742 6.546 1.00 0.00 H new ATOM 0 HD12 ILE A 879 13.498 -10.488 6.852 1.00 0.00 H new ATOM 0 HD13 ILE A 879 12.884 -9.912 5.284 1.00 0.00 H new ATOM 1633 N SER A 880 8.771 -13.419 7.617 1.00 0.00 N ATOM 1634 CA SER A 880 8.022 -14.646 7.347 1.00 0.00 C ATOM 1635 C SER A 880 6.533 -14.440 7.633 1.00 0.00 C ATOM 1636 O SER A 880 5.672 -15.032 6.979 1.00 0.00 O ATOM 1637 CB SER A 880 8.566 -15.809 8.179 1.00 0.00 C ATOM 1638 OG SER A 880 9.374 -15.340 9.241 1.00 0.00 O ATOM 0 H SER A 880 9.423 -13.481 8.399 1.00 0.00 H new ATOM 0 HA SER A 880 8.144 -14.892 6.292 1.00 0.00 H new ATOM 0 HB2 SER A 880 7.737 -16.393 8.579 1.00 0.00 H new ATOM 0 HB3 SER A 880 9.148 -16.475 7.542 1.00 0.00 H new ATOM 0 HG SER A 880 8.838 -14.773 9.834 1.00 0.00 H new ATOM 1644 N ASP A 881 6.237 -13.588 8.610 1.00 0.00 N ATOM 1645 CA ASP A 881 4.854 -13.237 8.938 1.00 0.00 C ATOM 1646 C ASP A 881 4.251 -12.379 7.826 1.00 0.00 C ATOM 1647 O ASP A 881 3.069 -12.498 7.497 1.00 0.00 O ATOM 1648 CB ASP A 881 4.801 -12.488 10.273 1.00 0.00 C ATOM 1649 CG ASP A 881 4.642 -13.419 11.458 1.00 0.00 C ATOM 1650 OD1 ASP A 881 3.522 -13.928 11.679 1.00 0.00 O ATOM 1651 OD2 ASP A 881 5.637 -13.651 12.177 1.00 0.00 O ATOM 0 H ASP A 881 6.936 -13.126 9.191 1.00 0.00 H new ATOM 0 HA ASP A 881 4.271 -14.154 9.028 1.00 0.00 H new ATOM 0 HB2 ASP A 881 5.713 -11.904 10.394 1.00 0.00 H new ATOM 0 HB3 ASP A 881 3.971 -11.782 10.256 1.00 0.00 H new ATOM 1656 N ILE A 882 5.072 -11.514 7.246 1.00 0.00 N ATOM 1657 CA ILE A 882 4.665 -10.732 6.083 1.00 0.00 C ATOM 1658 C ILE A 882 4.486 -11.651 4.876 1.00 0.00 C ATOM 1659 O ILE A 882 3.606 -11.442 4.039 1.00 0.00 O ATOM 1660 CB ILE A 882 5.694 -9.617 5.757 1.00 0.00 C ATOM 1661 CG1 ILE A 882 5.519 -8.448 6.732 1.00 0.00 C ATOM 1662 CG2 ILE A 882 5.556 -9.135 4.313 1.00 0.00 C ATOM 1663 CD1 ILE A 882 6.336 -7.223 6.377 1.00 0.00 C ATOM 0 H ILE A 882 6.025 -11.335 7.561 1.00 0.00 H new ATOM 0 HA ILE A 882 3.716 -10.250 6.317 1.00 0.00 H new ATOM 0 HB ILE A 882 6.695 -10.032 5.870 1.00 0.00 H new ATOM 0 HG12 ILE A 882 4.465 -8.172 6.767 1.00 0.00 H new ATOM 0 HG13 ILE A 882 5.795 -8.779 7.733 1.00 0.00 H new ATOM 0 HG21 ILE A 882 6.291 -8.354 4.118 1.00 0.00 H new ATOM 0 HG22 ILE A 882 5.724 -9.970 3.633 1.00 0.00 H new ATOM 0 HG23 ILE A 882 4.554 -8.736 4.157 1.00 0.00 H new ATOM 0 HD11 ILE A 882 6.157 -6.440 7.114 1.00 0.00 H new ATOM 0 HD12 ILE A 882 7.395 -7.481 6.371 1.00 0.00 H new ATOM 0 HD13 ILE A 882 6.044 -6.865 5.390 1.00 0.00 H new ATOM 1675 N ASP A 883 5.308 -12.691 4.819 1.00 0.00 N ATOM 1676 CA ASP A 883 5.311 -13.619 3.700 1.00 0.00 C ATOM 1677 C ASP A 883 4.049 -14.447 3.727 1.00 0.00 C ATOM 1678 O ASP A 883 3.383 -14.616 2.713 1.00 0.00 O ATOM 1679 CB ASP A 883 6.551 -14.516 3.776 1.00 0.00 C ATOM 1680 CG ASP A 883 6.348 -15.912 3.200 1.00 0.00 C ATOM 1681 OD1 ASP A 883 5.856 -16.794 3.929 1.00 0.00 O ATOM 1682 OD2 ASP A 883 6.718 -16.146 2.029 1.00 0.00 O ATOM 0 H ASP A 883 5.989 -12.913 5.546 1.00 0.00 H new ATOM 0 HA ASP A 883 5.343 -13.064 2.762 1.00 0.00 H new ATOM 0 HB2 ASP A 883 7.370 -14.031 3.244 1.00 0.00 H new ATOM 0 HB3 ASP A 883 6.857 -14.606 4.818 1.00 0.00 H new ATOM 1687 N SER A 884 3.722 -14.934 4.910 1.00 0.00 N ATOM 1688 CA SER A 884 2.516 -15.701 5.121 1.00 0.00 C ATOM 1689 C SER A 884 1.293 -14.832 4.827 1.00 0.00 C ATOM 1690 O SER A 884 0.301 -15.289 4.237 1.00 0.00 O ATOM 1691 CB SER A 884 2.503 -16.217 6.561 1.00 0.00 C ATOM 1692 OG SER A 884 2.989 -15.243 7.462 1.00 0.00 O ATOM 0 H SER A 884 4.287 -14.807 5.749 1.00 0.00 H new ATOM 0 HA SER A 884 2.487 -16.555 4.445 1.00 0.00 H new ATOM 0 HB2 SER A 884 1.487 -16.498 6.839 1.00 0.00 H new ATOM 0 HB3 SER A 884 3.113 -17.117 6.632 1.00 0.00 H new ATOM 0 HG SER A 884 2.753 -14.349 7.136 1.00 0.00 H new ATOM 1698 N TYR A 885 1.400 -13.560 5.200 1.00 0.00 N ATOM 1699 CA TYR A 885 0.338 -12.591 4.954 1.00 0.00 C ATOM 1700 C TYR A 885 0.118 -12.433 3.462 1.00 0.00 C ATOM 1701 O TYR A 885 -0.967 -12.686 2.937 1.00 0.00 O ATOM 1702 CB TYR A 885 0.729 -11.232 5.536 1.00 0.00 C ATOM 1703 CG TYR A 885 -0.413 -10.463 6.166 1.00 0.00 C ATOM 1704 CD1 TYR A 885 -1.576 -11.101 6.579 1.00 0.00 C ATOM 1705 CD2 TYR A 885 -0.326 -9.087 6.335 1.00 0.00 C ATOM 1706 CE1 TYR A 885 -2.617 -10.390 7.147 1.00 0.00 C ATOM 1707 CE2 TYR A 885 -1.361 -8.369 6.903 1.00 0.00 C ATOM 1708 CZ TYR A 885 -2.504 -9.023 7.306 1.00 0.00 C ATOM 1709 OH TYR A 885 -3.537 -8.308 7.870 1.00 0.00 O ATOM 0 H TYR A 885 2.216 -13.175 5.676 1.00 0.00 H new ATOM 0 HA TYR A 885 -0.576 -12.949 5.428 1.00 0.00 H new ATOM 0 HB2 TYR A 885 1.505 -11.383 6.286 1.00 0.00 H new ATOM 0 HB3 TYR A 885 1.165 -10.624 4.743 1.00 0.00 H new ATOM 0 HD1 TYR A 885 -1.668 -12.170 6.454 1.00 0.00 H new ATOM 0 HD2 TYR A 885 0.567 -8.569 6.017 1.00 0.00 H new ATOM 0 HE1 TYR A 885 -3.514 -10.901 7.465 1.00 0.00 H new ATOM 0 HE2 TYR A 885 -1.274 -7.300 7.030 1.00 0.00 H new ATOM 0 HH TYR A 885 -4.021 -8.877 8.505 1.00 0.00 H new ATOM 1719 N VAL A 886 1.184 -12.045 2.792 1.00 0.00 N ATOM 1720 CA VAL A 886 1.162 -11.769 1.372 1.00 0.00 C ATOM 1721 C VAL A 886 0.842 -13.037 0.575 1.00 0.00 C ATOM 1722 O VAL A 886 0.155 -12.977 -0.441 1.00 0.00 O ATOM 1723 CB VAL A 886 2.515 -11.148 0.951 1.00 0.00 C ATOM 1724 CG1 VAL A 886 2.963 -11.601 -0.430 1.00 0.00 C ATOM 1725 CG2 VAL A 886 2.432 -9.633 1.005 1.00 0.00 C ATOM 0 H VAL A 886 2.099 -11.911 3.223 1.00 0.00 H new ATOM 0 HA VAL A 886 0.371 -11.052 1.152 1.00 0.00 H new ATOM 0 HB VAL A 886 3.264 -11.501 1.660 1.00 0.00 H new ATOM 0 HG11 VAL A 886 3.918 -11.135 -0.674 1.00 0.00 H new ATOM 0 HG12 VAL A 886 3.076 -12.685 -0.438 1.00 0.00 H new ATOM 0 HG13 VAL A 886 2.217 -11.308 -1.169 1.00 0.00 H new ATOM 0 HG21 VAL A 886 3.389 -9.205 0.707 1.00 0.00 H new ATOM 0 HG22 VAL A 886 1.653 -9.287 0.326 1.00 0.00 H new ATOM 0 HG23 VAL A 886 2.194 -9.318 2.021 1.00 0.00 H new ATOM 1735 N LYS A 887 1.314 -14.179 1.065 1.00 0.00 N ATOM 1736 CA LYS A 887 1.017 -15.470 0.451 1.00 0.00 C ATOM 1737 C LYS A 887 -0.487 -15.680 0.354 1.00 0.00 C ATOM 1738 O LYS A 887 -1.011 -16.029 -0.705 1.00 0.00 O ATOM 1739 CB LYS A 887 1.617 -16.607 1.275 1.00 0.00 C ATOM 1740 CG LYS A 887 2.899 -17.185 0.705 1.00 0.00 C ATOM 1741 CD LYS A 887 3.556 -18.121 1.703 1.00 0.00 C ATOM 1742 CE LYS A 887 4.718 -18.874 1.085 1.00 0.00 C ATOM 1743 NZ LYS A 887 5.923 -18.845 1.953 1.00 0.00 N ATOM 0 H LYS A 887 1.908 -14.237 1.892 1.00 0.00 H new ATOM 0 HA LYS A 887 1.454 -15.472 -0.548 1.00 0.00 H new ATOM 0 HB2 LYS A 887 1.813 -16.244 2.284 1.00 0.00 H new ATOM 0 HB3 LYS A 887 0.880 -17.405 1.361 1.00 0.00 H new ATOM 0 HG2 LYS A 887 2.682 -17.723 -0.218 1.00 0.00 H new ATOM 0 HG3 LYS A 887 3.586 -16.378 0.449 1.00 0.00 H new ATOM 0 HD2 LYS A 887 3.908 -17.549 2.561 1.00 0.00 H new ATOM 0 HD3 LYS A 887 2.818 -18.832 2.075 1.00 0.00 H new ATOM 0 HE2 LYS A 887 4.425 -19.908 0.905 1.00 0.00 H new ATOM 0 HE3 LYS A 887 4.959 -18.438 0.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 887 6.514 -19.678 1.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 887 6.468 -17.980 1.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 887 5.632 -18.857 2.951 1.00 0.00 H new ATOM 1757 N SER A 888 -1.173 -15.458 1.467 1.00 0.00 N ATOM 1758 CA SER A 888 -2.614 -15.663 1.529 1.00 0.00 C ATOM 1759 C SER A 888 -3.381 -14.466 0.954 1.00 0.00 C ATOM 1760 O SER A 888 -4.583 -14.558 0.694 1.00 0.00 O ATOM 1761 CB SER A 888 -3.023 -15.928 2.977 1.00 0.00 C ATOM 1762 OG SER A 888 -2.024 -16.687 3.646 1.00 0.00 O ATOM 0 H SER A 888 -0.755 -15.136 2.340 1.00 0.00 H new ATOM 0 HA SER A 888 -2.870 -16.527 0.916 1.00 0.00 H new ATOM 0 HB2 SER A 888 -3.178 -14.982 3.496 1.00 0.00 H new ATOM 0 HB3 SER A 888 -3.972 -16.464 3.001 1.00 0.00 H new ATOM 0 HG SER A 888 -1.296 -16.094 3.927 1.00 0.00 H new ATOM 1768 N LEU A 889 -2.691 -13.350 0.757 1.00 0.00 N ATOM 1769 CA LEU A 889 -3.313 -12.162 0.184 1.00 0.00 C ATOM 1770 C LEU A 889 -3.316 -12.218 -1.341 1.00 0.00 C ATOM 1771 O LEU A 889 -4.259 -11.749 -1.983 1.00 0.00 O ATOM 1772 CB LEU A 889 -2.587 -10.898 0.654 1.00 0.00 C ATOM 1773 CG LEU A 889 -3.009 -10.377 2.027 1.00 0.00 C ATOM 1774 CD1 LEU A 889 -2.026 -9.328 2.522 1.00 0.00 C ATOM 1775 CD2 LEU A 889 -4.415 -9.803 1.972 1.00 0.00 C ATOM 0 H LEU A 889 -1.703 -13.242 0.985 1.00 0.00 H new ATOM 0 HA LEU A 889 -4.347 -12.132 0.529 1.00 0.00 H new ATOM 0 HB2 LEU A 889 -1.516 -11.100 0.673 1.00 0.00 H new ATOM 0 HB3 LEU A 889 -2.750 -10.110 -0.081 1.00 0.00 H new ATOM 0 HG LEU A 889 -3.006 -11.212 2.727 1.00 0.00 H new ATOM 0 HD11 LEU A 889 -2.341 -8.967 3.501 1.00 0.00 H new ATOM 0 HD12 LEU A 889 -1.032 -9.769 2.600 1.00 0.00 H new ATOM 0 HD13 LEU A 889 -1.999 -8.495 1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 889 -4.698 -9.437 2.959 1.00 0.00 H new ATOM 0 HD22 LEU A 889 -4.444 -8.980 1.258 1.00 0.00 H new ATOM 0 HD23 LEU A 889 -5.113 -10.580 1.659 1.00 0.00 H new ATOM 1787 N LEU A 890 -2.259 -12.786 -1.915 1.00 0.00 N ATOM 1788 CA LEU A 890 -2.127 -12.883 -3.367 1.00 0.00 C ATOM 1789 C LEU A 890 -3.175 -13.828 -3.950 1.00 0.00 C ATOM 1790 O LEU A 890 -3.516 -14.828 -3.282 1.00 0.00 O ATOM 1791 CB LEU A 890 -0.724 -13.373 -3.747 1.00 0.00 C ATOM 1792 CG LEU A 890 0.418 -12.404 -3.435 1.00 0.00 C ATOM 1793 CD1 LEU A 890 1.759 -13.054 -3.738 1.00 0.00 C ATOM 1794 CD2 LEU A 890 0.260 -11.115 -4.225 1.00 0.00 C ATOM 1795 OXT LEU A 890 -3.647 -13.574 -5.077 1.00 0.00 O ATOM 0 H LEU A 890 -1.479 -13.188 -1.395 1.00 0.00 H new ATOM 0 HA LEU A 890 -2.284 -11.888 -3.783 1.00 0.00 H new ATOM 0 HB2 LEU A 890 -0.533 -14.312 -3.228 1.00 0.00 H new ATOM 0 HB3 LEU A 890 -0.711 -13.591 -4.815 1.00 0.00 H new ATOM 0 HG LEU A 890 0.382 -12.159 -2.373 1.00 0.00 H new ATOM 0 HD11 LEU A 890 2.563 -12.353 -3.511 1.00 0.00 H new ATOM 0 HD12 LEU A 890 1.876 -13.949 -3.127 1.00 0.00 H new ATOM 0 HD13 LEU A 890 1.801 -13.326 -4.793 1.00 0.00 H new ATOM 0 HD21 LEU A 890 1.082 -10.440 -3.988 1.00 0.00 H new ATOM 0 HD22 LEU A 890 0.270 -11.339 -5.292 1.00 0.00 H new ATOM 0 HD23 LEU A 890 -0.686 -10.641 -3.962 1.00 0.00 H new TER 1807 LEU A 890