USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=20 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 Single : A 775 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 776 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 781 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 786 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 789 GLN : amide:sc= -1.1 K(o=-1.1,f=-0.38) USER MOD Single : A 793 THR OG1 : rot 180:sc= 0 USER MOD Single : A 795 SER OG : rot 180:sc= -0.518 USER MOD Single : A 802 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 804 GLN : amide:sc= -0.249 K(o=-0.25,f=-2.2!) USER MOD Single : A 806 HIS : no HD1:sc= -2.43 K(o=-2.4,f=0.17) USER MOD Single : A 808 SER OG : rot -84:sc= 1.29 USER MOD Single : A 810 TYR OH : rot 180:sc= 0 USER MOD Single : A 811 TYR OH : rot 65:sc= 1.05 USER MOD Single : A 817 THR OG1 : rot 180:sc= 0 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 92:sc= 1.28 USER MOD Single : A 831 THR OG1 : rot 180:sc= 0.0253 USER MOD Single : A 832 SER OG : rot 180:sc= -0.125 USER MOD Single : A 839 GLN : amide:sc= -0.616 K(o=-0.62,f=-1.3!) USER MOD Single : A 840 THR OG1 : rot 84:sc= 1.23 USER MOD Single : A 842 HIS : no HD1:sc= 0.431 K(o=0.43,f=-5.8!) USER MOD Single : A 845 LYS NZ :NH3+ 151:sc= 2.44 (180deg=0.704) USER MOD Single : A 850 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 852 ASN : amide:sc= -0.346 K(o=-0.35,f=-2.7!) USER MOD Single : A 857 LYS NZ :NH3+ -103:sc= 1.28 (180deg=0.0699) USER MOD Single : A 858 GLN : amide:sc= -1.69! C(o=-1.7!,f=-4.5!) USER MOD Single : A 860 CYS SG : rot 68:sc= 1.15 USER MOD Single : A 862 THR OG1 : rot 180:sc= 0.0607 USER MOD Single : A 865 HIS : no HD1:sc= -1.42 K(o=-1.4,f=-0.089) USER MOD Single : A 870 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 877 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 878 TYR OH : rot 180:sc= 0 USER MOD Single : A 880 SER OG : rot 90:sc= 1.25 USER MOD Single : A 884 SER OG : rot 29:sc= -0.454 USER MOD Single : A 885 TYR OH : rot 79:sc= -0.766 USER MOD Single : A 887 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 888 SER OG : rot 84:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 775 -15.095 21.342 -29.101 1.00 0.00 N ATOM 2 CA MET A 775 -13.749 21.616 -29.661 1.00 0.00 C ATOM 3 C MET A 775 -13.629 23.080 -30.062 1.00 0.00 C ATOM 4 O MET A 775 -14.642 23.755 -30.251 1.00 0.00 O ATOM 5 CB MET A 775 -13.494 20.716 -30.876 1.00 0.00 C ATOM 6 CG MET A 775 -12.040 20.666 -31.321 1.00 0.00 C ATOM 7 SD MET A 775 -11.111 19.347 -30.517 1.00 0.00 S ATOM 8 CE MET A 775 -11.095 18.111 -31.816 1.00 0.00 C ATOM 0 HA MET A 775 -13.002 21.402 -28.896 1.00 0.00 H new ATOM 0 HB2 MET A 775 -13.825 19.705 -30.641 1.00 0.00 H new ATOM 0 HB3 MET A 775 -14.105 21.066 -31.708 1.00 0.00 H new ATOM 0 HG2 MET A 775 -12.000 20.527 -32.401 1.00 0.00 H new ATOM 0 HG3 MET A 775 -11.565 21.623 -31.105 1.00 0.00 H new ATOM 0 HE1 MET A 775 -10.555 17.229 -31.472 1.00 0.00 H new ATOM 0 HE2 MET A 775 -12.119 17.834 -32.067 1.00 0.00 H new ATOM 0 HE3 MET A 775 -10.602 18.518 -32.699 1.00 0.00 H new ATOM 20 N GLN A 776 -12.388 23.558 -30.185 1.00 0.00 N ATOM 21 CA GLN A 776 -12.096 24.939 -30.572 1.00 0.00 C ATOM 22 C GLN A 776 -12.525 25.923 -29.490 1.00 0.00 C ATOM 23 O GLN A 776 -13.718 26.124 -29.258 1.00 0.00 O ATOM 24 CB GLN A 776 -12.755 25.291 -31.909 1.00 0.00 C ATOM 25 CG GLN A 776 -11.785 25.289 -33.075 1.00 0.00 C ATOM 26 CD GLN A 776 -12.106 24.215 -34.096 1.00 0.00 C ATOM 27 OE1 GLN A 776 -11.758 23.048 -33.923 1.00 0.00 O ATOM 28 NE2 GLN A 776 -12.784 24.603 -35.161 1.00 0.00 N ATOM 0 H GLN A 776 -11.554 22.995 -30.018 1.00 0.00 H new ATOM 0 HA GLN A 776 -11.016 25.020 -30.692 1.00 0.00 H new ATOM 0 HB2 GLN A 776 -13.555 24.579 -32.110 1.00 0.00 H new ATOM 0 HB3 GLN A 776 -13.216 26.276 -31.831 1.00 0.00 H new ATOM 0 HG2 GLN A 776 -11.804 26.265 -33.561 1.00 0.00 H new ATOM 0 HG3 GLN A 776 -10.772 25.139 -32.701 1.00 0.00 H new ATOM 0 HE21 GLN A 776 -13.053 25.581 -35.266 1.00 0.00 H new ATOM 0 HE22 GLN A 776 -13.038 23.924 -35.879 1.00 0.00 H new ATOM 37 N GLU A 777 -11.533 26.538 -28.846 1.00 0.00 N ATOM 38 CA GLU A 777 -11.752 27.479 -27.745 1.00 0.00 C ATOM 39 C GLU A 777 -12.309 26.757 -26.519 1.00 0.00 C ATOM 40 O GLU A 777 -11.592 26.536 -25.541 1.00 0.00 O ATOM 41 CB GLU A 777 -12.683 28.620 -28.175 1.00 0.00 C ATOM 42 CG GLU A 777 -12.119 29.463 -29.309 1.00 0.00 C ATOM 43 CD GLU A 777 -11.464 30.734 -28.821 1.00 0.00 C ATOM 44 OE1 GLU A 777 -12.177 31.744 -28.648 1.00 0.00 O ATOM 45 OE2 GLU A 777 -10.234 30.735 -28.606 1.00 0.00 O ATOM 0 H GLU A 777 -10.549 26.397 -29.074 1.00 0.00 H new ATOM 0 HA GLU A 777 -10.789 27.914 -27.476 1.00 0.00 H new ATOM 0 HB2 GLU A 777 -13.640 28.201 -28.485 1.00 0.00 H new ATOM 0 HB3 GLU A 777 -12.879 29.263 -27.317 1.00 0.00 H new ATOM 0 HG2 GLU A 777 -11.390 28.874 -29.866 1.00 0.00 H new ATOM 0 HG3 GLU A 777 -12.921 29.716 -30.002 1.00 0.00 H new ATOM 52 N ALA A 778 -13.572 26.363 -26.581 1.00 0.00 N ATOM 53 CA ALA A 778 -14.186 25.619 -25.500 1.00 0.00 C ATOM 54 C ALA A 778 -13.976 24.127 -25.718 1.00 0.00 C ATOM 55 O ALA A 778 -14.872 23.417 -26.168 1.00 0.00 O ATOM 56 CB ALA A 778 -15.669 25.944 -25.389 1.00 0.00 C ATOM 0 H ALA A 778 -14.190 26.548 -27.371 1.00 0.00 H new ATOM 0 HA ALA A 778 -13.712 25.910 -24.562 1.00 0.00 H new ATOM 0 HB1 ALA A 778 -16.106 25.373 -24.570 1.00 0.00 H new ATOM 0 HB2 ALA A 778 -15.795 27.009 -25.196 1.00 0.00 H new ATOM 0 HB3 ALA A 778 -16.169 25.683 -26.321 1.00 0.00 H new ATOM 62 N VAL A 779 -12.768 23.665 -25.428 1.00 0.00 N ATOM 63 CA VAL A 779 -12.433 22.253 -25.584 1.00 0.00 C ATOM 64 C VAL A 779 -13.119 21.408 -24.516 1.00 0.00 C ATOM 65 O VAL A 779 -13.374 20.219 -24.715 1.00 0.00 O ATOM 66 CB VAL A 779 -10.909 22.011 -25.525 1.00 0.00 C ATOM 67 CG1 VAL A 779 -10.310 22.045 -26.922 1.00 0.00 C ATOM 68 CG2 VAL A 779 -10.225 23.025 -24.619 1.00 0.00 C ATOM 0 H VAL A 779 -12.003 24.245 -25.084 1.00 0.00 H new ATOM 0 HA VAL A 779 -12.791 21.954 -26.569 1.00 0.00 H new ATOM 0 HB VAL A 779 -10.741 21.021 -25.101 1.00 0.00 H new ATOM 0 HG11 VAL A 779 -9.235 21.873 -26.861 1.00 0.00 H new ATOM 0 HG12 VAL A 779 -10.768 21.268 -27.533 1.00 0.00 H new ATOM 0 HG13 VAL A 779 -10.496 23.019 -27.374 1.00 0.00 H new ATOM 0 HG21 VAL A 779 -9.153 22.829 -24.598 1.00 0.00 H new ATOM 0 HG22 VAL A 779 -10.402 24.031 -25.000 1.00 0.00 H new ATOM 0 HG23 VAL A 779 -10.629 22.942 -23.610 1.00 0.00 H new ATOM 78 N LEU A 780 -13.426 22.025 -23.388 1.00 0.00 N ATOM 79 CA LEU A 780 -14.092 21.332 -22.296 1.00 0.00 C ATOM 80 C LEU A 780 -15.426 22.007 -21.983 1.00 0.00 C ATOM 81 O LEU A 780 -16.024 22.650 -22.851 1.00 0.00 O ATOM 82 CB LEU A 780 -13.198 21.303 -21.048 1.00 0.00 C ATOM 83 CG LEU A 780 -11.922 22.145 -21.135 1.00 0.00 C ATOM 84 CD1 LEU A 780 -11.909 23.208 -20.054 1.00 0.00 C ATOM 85 CD2 LEU A 780 -10.695 21.260 -21.025 1.00 0.00 C ATOM 0 H LEU A 780 -13.224 23.008 -23.203 1.00 0.00 H new ATOM 0 HA LEU A 780 -14.283 20.303 -22.601 1.00 0.00 H new ATOM 0 HB2 LEU A 780 -13.783 21.647 -20.195 1.00 0.00 H new ATOM 0 HB3 LEU A 780 -12.918 20.269 -20.846 1.00 0.00 H new ATOM 0 HG LEU A 780 -11.904 22.643 -22.105 1.00 0.00 H new ATOM 0 HD11 LEU A 780 -10.994 23.796 -20.133 1.00 0.00 H new ATOM 0 HD12 LEU A 780 -12.772 23.862 -20.177 1.00 0.00 H new ATOM 0 HD13 LEU A 780 -11.951 22.731 -19.075 1.00 0.00 H new ATOM 0 HD21 LEU A 780 -9.797 21.874 -21.089 1.00 0.00 H new ATOM 0 HD22 LEU A 780 -10.709 20.736 -20.070 1.00 0.00 H new ATOM 0 HD23 LEU A 780 -10.696 20.534 -21.838 1.00 0.00 H new ATOM 97 N GLN A 781 -15.881 21.860 -20.748 1.00 0.00 N ATOM 98 CA GLN A 781 -17.113 22.500 -20.304 1.00 0.00 C ATOM 99 C GLN A 781 -16.827 23.938 -19.880 1.00 0.00 C ATOM 100 O GLN A 781 -15.720 24.435 -20.084 1.00 0.00 O ATOM 101 CB GLN A 781 -17.732 21.714 -19.139 1.00 0.00 C ATOM 102 CG GLN A 781 -17.663 20.202 -19.310 1.00 0.00 C ATOM 103 CD GLN A 781 -18.663 19.672 -20.322 1.00 0.00 C ATOM 104 OE1 GLN A 781 -19.410 20.433 -20.939 1.00 0.00 O ATOM 105 NE2 GLN A 781 -18.685 18.360 -20.499 1.00 0.00 N ATOM 0 H GLN A 781 -15.415 21.302 -20.033 1.00 0.00 H new ATOM 0 HA GLN A 781 -17.824 22.510 -21.130 1.00 0.00 H new ATOM 0 HB2 GLN A 781 -17.222 21.989 -18.216 1.00 0.00 H new ATOM 0 HB3 GLN A 781 -18.775 22.010 -19.027 1.00 0.00 H new ATOM 0 HG2 GLN A 781 -16.657 19.923 -19.622 1.00 0.00 H new ATOM 0 HG3 GLN A 781 -17.842 19.725 -18.347 1.00 0.00 H new ATOM 0 HE21 GLN A 781 -18.050 17.763 -19.969 1.00 0.00 H new ATOM 0 HE22 GLN A 781 -19.337 17.946 -21.166 1.00 0.00 H new ATOM 114 N LEU A 782 -17.823 24.602 -19.301 1.00 0.00 N ATOM 115 CA LEU A 782 -17.644 25.962 -18.793 1.00 0.00 C ATOM 116 C LEU A 782 -16.528 25.989 -17.755 1.00 0.00 C ATOM 117 O LEU A 782 -15.534 26.693 -17.915 1.00 0.00 O ATOM 118 CB LEU A 782 -18.948 26.496 -18.182 1.00 0.00 C ATOM 119 CG LEU A 782 -19.674 25.539 -17.233 1.00 0.00 C ATOM 120 CD1 LEU A 782 -20.000 26.235 -15.923 1.00 0.00 C ATOM 121 CD2 LEU A 782 -20.944 25.013 -17.881 1.00 0.00 C ATOM 0 H LEU A 782 -18.761 24.223 -19.171 1.00 0.00 H new ATOM 0 HA LEU A 782 -17.371 26.607 -19.628 1.00 0.00 H new ATOM 0 HB2 LEU A 782 -18.725 27.416 -17.641 1.00 0.00 H new ATOM 0 HB3 LEU A 782 -19.627 26.760 -18.993 1.00 0.00 H new ATOM 0 HG LEU A 782 -19.015 24.696 -17.023 1.00 0.00 H new ATOM 0 HD11 LEU A 782 -20.516 25.540 -15.260 1.00 0.00 H new ATOM 0 HD12 LEU A 782 -19.077 26.570 -15.450 1.00 0.00 H new ATOM 0 HD13 LEU A 782 -20.641 27.095 -16.117 1.00 0.00 H new ATOM 0 HD21 LEU A 782 -21.449 24.334 -17.194 1.00 0.00 H new ATOM 0 HD22 LEU A 782 -21.604 25.847 -18.117 1.00 0.00 H new ATOM 0 HD23 LEU A 782 -20.691 24.480 -18.797 1.00 0.00 H new ATOM 133 N ILE A 783 -16.705 25.206 -16.699 1.00 0.00 N ATOM 134 CA ILE A 783 -15.696 25.062 -15.659 1.00 0.00 C ATOM 135 C ILE A 783 -15.547 23.586 -15.301 1.00 0.00 C ATOM 136 O ILE A 783 -14.667 22.894 -15.812 1.00 0.00 O ATOM 137 CB ILE A 783 -16.054 25.863 -14.379 1.00 0.00 C ATOM 138 CG1 ILE A 783 -16.478 27.301 -14.724 1.00 0.00 C ATOM 139 CG2 ILE A 783 -14.880 25.870 -13.403 1.00 0.00 C ATOM 140 CD1 ILE A 783 -15.320 28.236 -15.013 1.00 0.00 C ATOM 0 H ILE A 783 -17.549 24.655 -16.540 1.00 0.00 H new ATOM 0 HA ILE A 783 -14.760 25.461 -16.050 1.00 0.00 H new ATOM 0 HB ILE A 783 -16.900 25.369 -13.900 1.00 0.00 H new ATOM 0 HG12 ILE A 783 -17.136 27.276 -15.593 1.00 0.00 H new ATOM 0 HG13 ILE A 783 -17.059 27.705 -13.895 1.00 0.00 H new ATOM 0 HG21 ILE A 783 -15.151 26.437 -12.512 1.00 0.00 H new ATOM 0 HG22 ILE A 783 -14.635 24.846 -13.121 1.00 0.00 H new ATOM 0 HG23 ILE A 783 -14.015 26.332 -13.878 1.00 0.00 H new ATOM 0 HD11 ILE A 783 -15.704 29.229 -15.247 1.00 0.00 H new ATOM 0 HD12 ILE A 783 -14.672 28.294 -14.138 1.00 0.00 H new ATOM 0 HD13 ILE A 783 -14.750 27.858 -15.862 1.00 0.00 H new ATOM 152 N GLU A 784 -16.439 23.105 -14.440 1.00 0.00 N ATOM 153 CA GLU A 784 -16.434 21.709 -14.024 1.00 0.00 C ATOM 154 C GLU A 784 -17.865 21.210 -13.836 1.00 0.00 C ATOM 155 O GLU A 784 -18.406 20.494 -14.682 1.00 0.00 O ATOM 156 CB GLU A 784 -15.647 21.551 -12.718 1.00 0.00 C ATOM 157 CG GLU A 784 -14.210 21.114 -12.922 1.00 0.00 C ATOM 158 CD GLU A 784 -14.074 19.612 -13.006 1.00 0.00 C ATOM 159 OE1 GLU A 784 -14.395 19.041 -14.068 1.00 0.00 O ATOM 160 OE2 GLU A 784 -13.646 18.995 -12.010 1.00 0.00 O ATOM 0 H GLU A 784 -17.178 23.666 -14.016 1.00 0.00 H new ATOM 0 HA GLU A 784 -15.953 21.114 -14.800 1.00 0.00 H new ATOM 0 HB2 GLU A 784 -15.656 22.500 -12.181 1.00 0.00 H new ATOM 0 HB3 GLU A 784 -16.153 20.822 -12.085 1.00 0.00 H new ATOM 0 HG2 GLU A 784 -13.822 21.563 -13.836 1.00 0.00 H new ATOM 0 HG3 GLU A 784 -13.599 21.486 -12.100 1.00 0.00 H new ATOM 167 N VAL A 785 -18.481 21.619 -12.733 1.00 0.00 N ATOM 168 CA VAL A 785 -19.831 21.203 -12.395 1.00 0.00 C ATOM 169 C VAL A 785 -20.565 22.356 -11.731 1.00 0.00 C ATOM 170 O VAL A 785 -20.306 22.685 -10.573 1.00 0.00 O ATOM 171 CB VAL A 785 -19.856 19.973 -11.456 1.00 0.00 C ATOM 172 CG1 VAL A 785 -20.106 18.705 -12.253 1.00 0.00 C ATOM 173 CG2 VAL A 785 -18.564 19.856 -10.658 1.00 0.00 C ATOM 0 H VAL A 785 -18.057 22.247 -12.051 1.00 0.00 H new ATOM 0 HA VAL A 785 -20.324 20.916 -13.324 1.00 0.00 H new ATOM 0 HB VAL A 785 -20.673 20.110 -10.747 1.00 0.00 H new ATOM 0 HG11 VAL A 785 -20.121 17.849 -11.579 1.00 0.00 H new ATOM 0 HG12 VAL A 785 -21.065 18.780 -12.765 1.00 0.00 H new ATOM 0 HG13 VAL A 785 -19.312 18.575 -12.988 1.00 0.00 H new ATOM 0 HG21 VAL A 785 -18.615 18.982 -10.009 1.00 0.00 H new ATOM 0 HG22 VAL A 785 -17.722 19.751 -11.342 1.00 0.00 H new ATOM 0 HG23 VAL A 785 -18.429 20.751 -10.051 1.00 0.00 H new ATOM 183 N GLN A 786 -21.452 22.985 -12.489 1.00 0.00 N ATOM 184 CA GLN A 786 -22.229 24.125 -12.001 1.00 0.00 C ATOM 185 C GLN A 786 -22.951 23.788 -10.702 1.00 0.00 C ATOM 186 O GLN A 786 -22.799 24.489 -9.699 1.00 0.00 O ATOM 187 CB GLN A 786 -23.257 24.572 -13.043 1.00 0.00 C ATOM 188 CG GLN A 786 -22.820 24.364 -14.482 1.00 0.00 C ATOM 189 CD GLN A 786 -23.975 24.444 -15.460 1.00 0.00 C ATOM 190 OE1 GLN A 786 -24.302 23.469 -16.136 1.00 0.00 O ATOM 191 NE2 GLN A 786 -24.604 25.605 -15.540 1.00 0.00 N ATOM 0 H GLN A 786 -21.656 22.725 -13.454 1.00 0.00 H new ATOM 0 HA GLN A 786 -21.525 24.936 -11.816 1.00 0.00 H new ATOM 0 HB2 GLN A 786 -24.187 24.028 -12.876 1.00 0.00 H new ATOM 0 HB3 GLN A 786 -23.475 25.629 -12.891 1.00 0.00 H new ATOM 0 HG2 GLN A 786 -22.075 25.115 -14.744 1.00 0.00 H new ATOM 0 HG3 GLN A 786 -22.338 23.391 -14.574 1.00 0.00 H new ATOM 0 HE21 GLN A 786 -24.302 26.390 -14.962 1.00 0.00 H new ATOM 0 HE22 GLN A 786 -25.391 25.716 -16.179 1.00 0.00 H new ATOM 200 N LEU A 787 -23.729 22.712 -10.727 1.00 0.00 N ATOM 201 CA LEU A 787 -24.511 22.303 -9.568 1.00 0.00 C ATOM 202 C LEU A 787 -24.624 20.784 -9.511 1.00 0.00 C ATOM 203 O LEU A 787 -25.711 20.220 -9.645 1.00 0.00 O ATOM 204 CB LEU A 787 -25.905 22.941 -9.609 1.00 0.00 C ATOM 205 CG LEU A 787 -26.505 23.304 -8.246 1.00 0.00 C ATOM 206 CD1 LEU A 787 -25.437 23.860 -7.314 1.00 0.00 C ATOM 207 CD2 LEU A 787 -27.639 24.303 -8.416 1.00 0.00 C ATOM 0 H LEU A 787 -23.835 22.106 -11.540 1.00 0.00 H new ATOM 0 HA LEU A 787 -24.000 22.646 -8.669 1.00 0.00 H new ATOM 0 HB2 LEU A 787 -25.854 23.845 -10.216 1.00 0.00 H new ATOM 0 HB3 LEU A 787 -26.585 22.255 -10.115 1.00 0.00 H new ATOM 0 HG LEU A 787 -26.907 22.396 -7.796 1.00 0.00 H new ATOM 0 HD11 LEU A 787 -25.887 24.110 -6.353 1.00 0.00 H new ATOM 0 HD12 LEU A 787 -24.658 23.112 -7.166 1.00 0.00 H new ATOM 0 HD13 LEU A 787 -25.000 24.756 -7.755 1.00 0.00 H new ATOM 0 HD21 LEU A 787 -28.055 24.551 -7.439 1.00 0.00 H new ATOM 0 HD22 LEU A 787 -27.258 25.208 -8.889 1.00 0.00 H new ATOM 0 HD23 LEU A 787 -28.418 23.867 -9.042 1.00 0.00 H new ATOM 219 N ALA A 788 -23.484 20.128 -9.333 1.00 0.00 N ATOM 220 CA ALA A 788 -23.432 18.676 -9.234 1.00 0.00 C ATOM 221 C ALA A 788 -22.141 18.240 -8.556 1.00 0.00 C ATOM 222 O ALA A 788 -21.298 17.573 -9.159 1.00 0.00 O ATOM 223 CB ALA A 788 -23.553 18.037 -10.610 1.00 0.00 C ATOM 0 H ALA A 788 -22.575 20.585 -9.254 1.00 0.00 H new ATOM 0 HA ALA A 788 -24.275 18.342 -8.629 1.00 0.00 H new ATOM 0 HB1 ALA A 788 -23.512 16.952 -10.512 1.00 0.00 H new ATOM 0 HB2 ALA A 788 -24.502 18.325 -11.063 1.00 0.00 H new ATOM 0 HB3 ALA A 788 -22.732 18.376 -11.242 1.00 0.00 H new ATOM 229 N GLN A 789 -21.985 18.628 -7.299 1.00 0.00 N ATOM 230 CA GLN A 789 -20.764 18.332 -6.563 1.00 0.00 C ATOM 231 C GLN A 789 -21.062 17.610 -5.253 1.00 0.00 C ATOM 232 O GLN A 789 -21.103 18.221 -4.185 1.00 0.00 O ATOM 233 CB GLN A 789 -19.986 19.617 -6.284 1.00 0.00 C ATOM 234 CG GLN A 789 -18.687 19.721 -7.063 1.00 0.00 C ATOM 235 CD GLN A 789 -17.462 19.626 -6.175 1.00 0.00 C ATOM 236 OE1 GLN A 789 -17.172 20.535 -5.397 1.00 0.00 O ATOM 237 NE2 GLN A 789 -16.739 18.527 -6.283 1.00 0.00 N ATOM 0 H GLN A 789 -22.685 19.146 -6.769 1.00 0.00 H new ATOM 0 HA GLN A 789 -20.157 17.672 -7.183 1.00 0.00 H new ATOM 0 HB2 GLN A 789 -20.615 20.473 -6.527 1.00 0.00 H new ATOM 0 HB3 GLN A 789 -19.767 19.675 -5.218 1.00 0.00 H new ATOM 0 HG2 GLN A 789 -18.652 18.928 -7.810 1.00 0.00 H new ATOM 0 HG3 GLN A 789 -18.667 20.668 -7.603 1.00 0.00 H new ATOM 0 HE21 GLN A 789 -17.015 17.798 -6.941 1.00 0.00 H new ATOM 0 HE22 GLN A 789 -15.905 18.407 -5.709 1.00 0.00 H new ATOM 246 N GLU A 790 -21.273 16.308 -5.348 1.00 0.00 N ATOM 247 CA GLU A 790 -21.424 15.469 -4.170 1.00 0.00 C ATOM 248 C GLU A 790 -20.126 14.715 -3.940 1.00 0.00 C ATOM 249 O GLU A 790 -20.098 13.485 -3.854 1.00 0.00 O ATOM 250 CB GLU A 790 -22.579 14.495 -4.347 1.00 0.00 C ATOM 251 CG GLU A 790 -23.906 15.029 -3.832 1.00 0.00 C ATOM 252 CD GLU A 790 -24.137 14.721 -2.365 1.00 0.00 C ATOM 253 OE1 GLU A 790 -23.158 14.478 -1.630 1.00 0.00 O ATOM 254 OE2 GLU A 790 -25.310 14.721 -1.934 1.00 0.00 O ATOM 0 H GLU A 790 -21.344 15.807 -6.233 1.00 0.00 H new ATOM 0 HA GLU A 790 -21.646 16.094 -3.305 1.00 0.00 H new ATOM 0 HB2 GLU A 790 -22.680 14.252 -5.405 1.00 0.00 H new ATOM 0 HB3 GLU A 790 -22.344 13.566 -3.827 1.00 0.00 H new ATOM 0 HG2 GLU A 790 -23.940 16.108 -3.981 1.00 0.00 H new ATOM 0 HG3 GLU A 790 -24.717 14.600 -4.420 1.00 0.00 H new ATOM 261 N GLU A 791 -19.055 15.485 -3.881 1.00 0.00 N ATOM 262 CA GLU A 791 -17.709 14.958 -3.731 1.00 0.00 C ATOM 263 C GLU A 791 -17.490 14.391 -2.332 1.00 0.00 C ATOM 264 O GLU A 791 -17.004 15.079 -1.433 1.00 0.00 O ATOM 265 CB GLU A 791 -16.688 16.062 -4.028 1.00 0.00 C ATOM 266 CG GLU A 791 -15.292 15.547 -4.341 1.00 0.00 C ATOM 267 CD GLU A 791 -15.270 14.497 -5.434 1.00 0.00 C ATOM 268 OE1 GLU A 791 -16.191 14.475 -6.279 1.00 0.00 O ATOM 269 OE2 GLU A 791 -14.326 13.683 -5.454 1.00 0.00 O ATOM 0 H GLU A 791 -19.094 16.503 -3.936 1.00 0.00 H new ATOM 0 HA GLU A 791 -17.575 14.143 -4.442 1.00 0.00 H new ATOM 0 HB2 GLU A 791 -17.043 16.654 -4.872 1.00 0.00 H new ATOM 0 HB3 GLU A 791 -16.633 16.732 -3.170 1.00 0.00 H new ATOM 0 HG2 GLU A 791 -14.662 16.385 -4.639 1.00 0.00 H new ATOM 0 HG3 GLU A 791 -14.856 15.127 -3.435 1.00 0.00 H new ATOM 276 N VAL A 792 -17.878 13.142 -2.151 1.00 0.00 N ATOM 277 CA VAL A 792 -17.645 12.440 -0.903 1.00 0.00 C ATOM 278 C VAL A 792 -17.271 10.991 -1.191 1.00 0.00 C ATOM 279 O VAL A 792 -18.076 10.219 -1.707 1.00 0.00 O ATOM 280 CB VAL A 792 -18.880 12.504 0.037 1.00 0.00 C ATOM 281 CG1 VAL A 792 -20.162 12.149 -0.706 1.00 0.00 C ATOM 282 CG2 VAL A 792 -18.692 11.599 1.249 1.00 0.00 C ATOM 0 H VAL A 792 -18.360 12.589 -2.860 1.00 0.00 H new ATOM 0 HA VAL A 792 -16.821 12.934 -0.388 1.00 0.00 H new ATOM 0 HB VAL A 792 -18.971 13.531 0.389 1.00 0.00 H new ATOM 0 HG11 VAL A 792 -21.007 12.203 -0.020 1.00 0.00 H new ATOM 0 HG12 VAL A 792 -20.314 12.852 -1.525 1.00 0.00 H new ATOM 0 HG13 VAL A 792 -20.083 11.138 -1.105 1.00 0.00 H new ATOM 0 HG21 VAL A 792 -19.571 11.663 1.891 1.00 0.00 H new ATOM 0 HG22 VAL A 792 -18.559 10.569 0.917 1.00 0.00 H new ATOM 0 HG23 VAL A 792 -17.811 11.917 1.807 1.00 0.00 H new ATOM 292 N THR A 793 -16.032 10.636 -0.891 1.00 0.00 N ATOM 293 CA THR A 793 -15.562 9.290 -1.124 1.00 0.00 C ATOM 294 C THR A 793 -15.453 8.526 0.191 1.00 0.00 C ATOM 295 O THR A 793 -14.751 8.932 1.123 1.00 0.00 O ATOM 296 CB THR A 793 -14.209 9.270 -1.881 1.00 0.00 C ATOM 297 OG1 THR A 793 -13.763 7.917 -2.068 1.00 0.00 O ATOM 298 CG2 THR A 793 -13.138 10.069 -1.144 1.00 0.00 C ATOM 0 H THR A 793 -15.338 11.264 -0.486 1.00 0.00 H new ATOM 0 HA THR A 793 -16.296 8.794 -1.759 1.00 0.00 H new ATOM 0 HB THR A 793 -14.370 9.738 -2.852 1.00 0.00 H new ATOM 0 HG1 THR A 793 -12.909 7.918 -2.548 1.00 0.00 H new ATOM 0 HG21 THR A 793 -12.205 10.031 -1.706 1.00 0.00 H new ATOM 0 HG22 THR A 793 -13.460 11.106 -1.046 1.00 0.00 H new ATOM 0 HG23 THR A 793 -12.983 9.642 -0.153 1.00 0.00 H new ATOM 306 N GLU A 794 -16.183 7.432 0.271 1.00 0.00 N ATOM 307 CA GLU A 794 -16.176 6.595 1.454 1.00 0.00 C ATOM 308 C GLU A 794 -15.220 5.427 1.272 1.00 0.00 C ATOM 309 O GLU A 794 -15.065 4.895 0.170 1.00 0.00 O ATOM 310 CB GLU A 794 -17.586 6.088 1.761 1.00 0.00 C ATOM 311 CG GLU A 794 -17.676 5.210 3.001 1.00 0.00 C ATOM 312 CD GLU A 794 -17.252 5.930 4.267 1.00 0.00 C ATOM 313 OE1 GLU A 794 -16.068 6.318 4.369 1.00 0.00 O ATOM 314 OE2 GLU A 794 -18.098 6.103 5.163 1.00 0.00 O ATOM 0 H GLU A 794 -16.793 7.100 -0.476 1.00 0.00 H new ATOM 0 HA GLU A 794 -15.834 7.194 2.298 1.00 0.00 H new ATOM 0 HB2 GLU A 794 -18.249 6.944 1.887 1.00 0.00 H new ATOM 0 HB3 GLU A 794 -17.952 5.525 0.903 1.00 0.00 H new ATOM 0 HG2 GLU A 794 -18.701 4.857 3.116 1.00 0.00 H new ATOM 0 HG3 GLU A 794 -17.049 4.329 2.863 1.00 0.00 H new ATOM 321 N SER A 795 -14.564 5.058 2.356 1.00 0.00 N ATOM 322 CA SER A 795 -13.615 3.949 2.364 1.00 0.00 C ATOM 323 C SER A 795 -13.378 3.477 3.795 1.00 0.00 C ATOM 324 O SER A 795 -12.358 3.810 4.402 1.00 0.00 O ATOM 325 CB SER A 795 -12.276 4.355 1.729 1.00 0.00 C ATOM 326 OG SER A 795 -12.425 5.459 0.845 1.00 0.00 O ATOM 0 H SER A 795 -14.671 5.517 3.261 1.00 0.00 H new ATOM 0 HA SER A 795 -14.043 3.138 1.774 1.00 0.00 H new ATOM 0 HB2 SER A 795 -11.564 4.611 2.514 1.00 0.00 H new ATOM 0 HB3 SER A 795 -11.860 3.507 1.185 1.00 0.00 H new ATOM 0 HG SER A 795 -11.554 5.691 0.461 1.00 0.00 H new ATOM 332 N PRO A 796 -14.329 2.720 4.364 1.00 0.00 N ATOM 333 CA PRO A 796 -14.229 2.217 5.727 1.00 0.00 C ATOM 334 C PRO A 796 -13.517 0.870 5.795 1.00 0.00 C ATOM 335 O PRO A 796 -13.401 0.166 4.790 1.00 0.00 O ATOM 336 CB PRO A 796 -15.691 2.077 6.136 1.00 0.00 C ATOM 337 CG PRO A 796 -16.426 1.769 4.869 1.00 0.00 C ATOM 338 CD PRO A 796 -15.588 2.290 3.723 1.00 0.00 C ATOM 0 HA PRO A 796 -13.646 2.872 6.375 1.00 0.00 H new ATOM 0 HB2 PRO A 796 -15.820 1.281 6.869 1.00 0.00 H new ATOM 0 HB3 PRO A 796 -16.062 2.995 6.593 1.00 0.00 H new ATOM 0 HG2 PRO A 796 -16.587 0.696 4.770 1.00 0.00 H new ATOM 0 HG3 PRO A 796 -17.409 2.240 4.871 1.00 0.00 H new ATOM 0 HD2 PRO A 796 -15.411 1.517 2.975 1.00 0.00 H new ATOM 0 HD3 PRO A 796 -16.080 3.119 3.214 1.00 0.00 H new ATOM 346 N LEU A 797 -13.042 0.512 6.977 1.00 0.00 N ATOM 347 CA LEU A 797 -12.345 -0.750 7.158 1.00 0.00 C ATOM 348 C LEU A 797 -12.926 -1.518 8.335 1.00 0.00 C ATOM 349 O LEU A 797 -12.767 -1.122 9.489 1.00 0.00 O ATOM 350 CB LEU A 797 -10.849 -0.505 7.364 1.00 0.00 C ATOM 351 CG LEU A 797 -10.082 -0.117 6.103 1.00 0.00 C ATOM 352 CD1 LEU A 797 -9.038 0.940 6.419 1.00 0.00 C ATOM 353 CD2 LEU A 797 -9.434 -1.344 5.479 1.00 0.00 C ATOM 0 H LEU A 797 -13.126 1.076 7.823 1.00 0.00 H new ATOM 0 HA LEU A 797 -12.478 -1.351 6.258 1.00 0.00 H new ATOM 0 HB2 LEU A 797 -10.724 0.284 8.105 1.00 0.00 H new ATOM 0 HB3 LEU A 797 -10.402 -1.408 7.781 1.00 0.00 H new ATOM 0 HG LEU A 797 -10.785 0.303 5.384 1.00 0.00 H new ATOM 0 HD11 LEU A 797 -8.501 1.205 5.508 1.00 0.00 H new ATOM 0 HD12 LEU A 797 -9.528 1.826 6.822 1.00 0.00 H new ATOM 0 HD13 LEU A 797 -8.335 0.549 7.154 1.00 0.00 H new ATOM 0 HD21 LEU A 797 -8.891 -1.051 4.581 1.00 0.00 H new ATOM 0 HD22 LEU A 797 -8.742 -1.792 6.192 1.00 0.00 H new ATOM 0 HD23 LEU A 797 -10.205 -2.069 5.217 1.00 0.00 H new ATOM 365 N GLY A 798 -13.619 -2.602 8.032 1.00 0.00 N ATOM 366 CA GLY A 798 -14.198 -3.430 9.070 1.00 0.00 C ATOM 367 C GLY A 798 -13.691 -4.857 9.010 1.00 0.00 C ATOM 368 O GLY A 798 -13.757 -5.592 9.992 1.00 0.00 O ATOM 0 H GLY A 798 -13.793 -2.926 7.081 1.00 0.00 H new ATOM 0 HA2 GLY A 798 -13.965 -3.004 10.046 1.00 0.00 H new ATOM 0 HA3 GLY A 798 -15.284 -3.427 8.972 1.00 0.00 H new ATOM 372 N GLY A 799 -13.179 -5.245 7.851 1.00 0.00 N ATOM 373 CA GLY A 799 -12.664 -6.585 7.679 1.00 0.00 C ATOM 374 C GLY A 799 -12.327 -6.872 6.232 1.00 0.00 C ATOM 375 O GLY A 799 -12.813 -6.179 5.337 1.00 0.00 O ATOM 0 H GLY A 799 -13.112 -4.652 7.024 1.00 0.00 H new ATOM 0 HA2 GLY A 799 -11.773 -6.714 8.293 1.00 0.00 H new ATOM 0 HA3 GLY A 799 -13.401 -7.307 8.031 1.00 0.00 H new ATOM 379 N ASP A 800 -11.497 -7.890 6.013 1.00 0.00 N ATOM 380 CA ASP A 800 -11.060 -8.284 4.671 1.00 0.00 C ATOM 381 C ASP A 800 -10.466 -7.104 3.905 1.00 0.00 C ATOM 382 O ASP A 800 -11.105 -6.532 3.016 1.00 0.00 O ATOM 383 CB ASP A 800 -12.215 -8.897 3.874 1.00 0.00 C ATOM 384 CG ASP A 800 -11.734 -9.877 2.819 1.00 0.00 C ATOM 385 OD1 ASP A 800 -10.694 -9.613 2.176 1.00 0.00 O ATOM 386 OD2 ASP A 800 -12.396 -10.919 2.627 1.00 0.00 O ATOM 0 H ASP A 800 -11.107 -8.466 6.759 1.00 0.00 H new ATOM 0 HA ASP A 800 -10.281 -9.037 4.796 1.00 0.00 H new ATOM 0 HB2 ASP A 800 -12.894 -9.407 4.557 1.00 0.00 H new ATOM 0 HB3 ASP A 800 -12.784 -8.101 3.394 1.00 0.00 H new ATOM 391 N GLU A 801 -9.242 -6.742 4.262 1.00 0.00 N ATOM 392 CA GLU A 801 -8.533 -5.656 3.599 1.00 0.00 C ATOM 393 C GLU A 801 -8.291 -5.997 2.133 1.00 0.00 C ATOM 394 O GLU A 801 -8.233 -5.111 1.277 1.00 0.00 O ATOM 395 CB GLU A 801 -7.198 -5.391 4.302 1.00 0.00 C ATOM 396 CG GLU A 801 -7.348 -4.927 5.742 1.00 0.00 C ATOM 397 CD GLU A 801 -7.457 -6.078 6.727 1.00 0.00 C ATOM 398 OE1 GLU A 801 -7.486 -7.246 6.287 1.00 0.00 O ATOM 399 OE2 GLU A 801 -7.519 -5.818 7.944 1.00 0.00 O ATOM 0 H GLU A 801 -8.716 -7.188 5.013 1.00 0.00 H new ATOM 0 HA GLU A 801 -9.147 -4.757 3.653 1.00 0.00 H new ATOM 0 HB2 GLU A 801 -6.600 -6.302 4.283 1.00 0.00 H new ATOM 0 HB3 GLU A 801 -6.646 -4.636 3.742 1.00 0.00 H new ATOM 0 HG2 GLU A 801 -6.492 -4.307 6.009 1.00 0.00 H new ATOM 0 HG3 GLU A 801 -8.235 -4.299 5.825 1.00 0.00 H new ATOM 406 N ASN A 802 -8.170 -7.290 1.852 1.00 0.00 N ATOM 407 CA ASN A 802 -7.961 -7.762 0.489 1.00 0.00 C ATOM 408 C ASN A 802 -9.151 -7.406 -0.386 1.00 0.00 C ATOM 409 O ASN A 802 -8.986 -6.969 -1.527 1.00 0.00 O ATOM 410 CB ASN A 802 -7.732 -9.274 0.458 1.00 0.00 C ATOM 411 CG ASN A 802 -7.568 -9.793 -0.960 1.00 0.00 C ATOM 412 OD1 ASN A 802 -6.677 -9.366 -1.692 1.00 0.00 O ATOM 413 ND2 ASN A 802 -8.432 -10.712 -1.361 1.00 0.00 N ATOM 0 H ASN A 802 -8.213 -8.031 2.552 1.00 0.00 H new ATOM 0 HA ASN A 802 -7.070 -7.269 0.100 1.00 0.00 H new ATOM 0 HB2 ASN A 802 -6.843 -9.518 1.039 1.00 0.00 H new ATOM 0 HB3 ASN A 802 -8.573 -9.778 0.934 1.00 0.00 H new ATOM 0 HD21 ASN A 802 -8.372 -11.091 -2.306 1.00 0.00 H new ATOM 0 HD22 ASN A 802 -9.158 -11.042 -0.725 1.00 0.00 H new ATOM 420 N ALA A 803 -10.351 -7.589 0.157 1.00 0.00 N ATOM 421 CA ALA A 803 -11.571 -7.238 -0.553 1.00 0.00 C ATOM 422 C ALA A 803 -11.533 -5.781 -0.998 1.00 0.00 C ATOM 423 O ALA A 803 -11.727 -5.482 -2.173 1.00 0.00 O ATOM 424 CB ALA A 803 -12.790 -7.494 0.318 1.00 0.00 C ATOM 0 H ALA A 803 -10.502 -7.979 1.087 1.00 0.00 H new ATOM 0 HA ALA A 803 -11.642 -7.868 -1.440 1.00 0.00 H new ATOM 0 HB1 ALA A 803 -13.692 -7.225 -0.231 1.00 0.00 H new ATOM 0 HB2 ALA A 803 -12.830 -8.550 0.587 1.00 0.00 H new ATOM 0 HB3 ALA A 803 -12.723 -6.891 1.224 1.00 0.00 H new ATOM 430 N GLN A 804 -11.241 -4.885 -0.061 1.00 0.00 N ATOM 431 CA GLN A 804 -11.225 -3.456 -0.346 1.00 0.00 C ATOM 432 C GLN A 804 -10.124 -3.106 -1.356 1.00 0.00 C ATOM 433 O GLN A 804 -10.358 -2.347 -2.300 1.00 0.00 O ATOM 434 CB GLN A 804 -11.071 -2.659 0.966 1.00 0.00 C ATOM 435 CG GLN A 804 -9.824 -1.786 1.053 1.00 0.00 C ATOM 436 CD GLN A 804 -10.103 -0.326 0.747 1.00 0.00 C ATOM 437 OE1 GLN A 804 -11.234 0.145 0.861 1.00 0.00 O ATOM 438 NE2 GLN A 804 -9.067 0.407 0.367 1.00 0.00 N ATOM 0 H GLN A 804 -11.012 -5.124 0.904 1.00 0.00 H new ATOM 0 HA GLN A 804 -12.175 -3.178 -0.803 1.00 0.00 H new ATOM 0 HB2 GLN A 804 -11.948 -2.025 1.092 1.00 0.00 H new ATOM 0 HB3 GLN A 804 -11.062 -3.361 1.800 1.00 0.00 H new ATOM 0 HG2 GLN A 804 -9.399 -1.868 2.053 1.00 0.00 H new ATOM 0 HG3 GLN A 804 -9.074 -2.161 0.356 1.00 0.00 H new ATOM 0 HE21 GLN A 804 -8.144 -0.019 0.284 1.00 0.00 H new ATOM 0 HE22 GLN A 804 -9.192 1.397 0.158 1.00 0.00 H new ATOM 447 N LEU A 805 -8.940 -3.691 -1.185 1.00 0.00 N ATOM 448 CA LEU A 805 -7.796 -3.360 -2.034 1.00 0.00 C ATOM 449 C LEU A 805 -7.944 -3.948 -3.442 1.00 0.00 C ATOM 450 O LEU A 805 -7.593 -3.303 -4.434 1.00 0.00 O ATOM 451 CB LEU A 805 -6.483 -3.826 -1.380 1.00 0.00 C ATOM 452 CG LEU A 805 -5.802 -5.022 -2.035 1.00 0.00 C ATOM 453 CD1 LEU A 805 -4.547 -4.587 -2.775 1.00 0.00 C ATOM 454 CD2 LEU A 805 -5.468 -6.082 -1.001 1.00 0.00 C ATOM 0 H LEU A 805 -8.748 -4.393 -0.470 1.00 0.00 H new ATOM 0 HA LEU A 805 -7.766 -2.275 -2.137 1.00 0.00 H new ATOM 0 HB2 LEU A 805 -5.784 -2.990 -1.378 1.00 0.00 H new ATOM 0 HB3 LEU A 805 -6.686 -4.074 -0.338 1.00 0.00 H new ATOM 0 HG LEU A 805 -6.495 -5.453 -2.758 1.00 0.00 H new ATOM 0 HD11 LEU A 805 -4.076 -5.456 -3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 805 -4.812 -3.866 -3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 805 -3.852 -4.127 -2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 805 -4.983 -6.927 -1.490 1.00 0.00 H new ATOM 0 HD22 LEU A 805 -4.797 -5.661 -0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 805 -6.384 -6.420 -0.517 1.00 0.00 H new ATOM 466 N HIS A 806 -8.473 -5.162 -3.540 1.00 0.00 N ATOM 467 CA HIS A 806 -8.626 -5.805 -4.838 1.00 0.00 C ATOM 468 C HIS A 806 -9.903 -5.327 -5.534 1.00 0.00 C ATOM 469 O HIS A 806 -10.077 -5.528 -6.734 1.00 0.00 O ATOM 470 CB HIS A 806 -8.541 -7.345 -4.705 1.00 0.00 C ATOM 471 CG HIS A 806 -9.846 -8.078 -4.671 1.00 0.00 C ATOM 472 ND1 HIS A 806 -10.096 -9.205 -5.421 1.00 0.00 N ATOM 473 CD2 HIS A 806 -10.966 -7.852 -3.957 1.00 0.00 C ATOM 474 CE1 HIS A 806 -11.316 -9.634 -5.175 1.00 0.00 C ATOM 475 NE2 HIS A 806 -11.868 -8.832 -4.287 1.00 0.00 N ATOM 0 H HIS A 806 -8.799 -5.714 -2.747 1.00 0.00 H new ATOM 0 HA HIS A 806 -7.797 -5.508 -5.480 1.00 0.00 H new ATOM 0 HB2 HIS A 806 -7.954 -7.729 -5.539 1.00 0.00 H new ATOM 0 HB3 HIS A 806 -7.992 -7.580 -3.793 1.00 0.00 H new ATOM 0 HD2 HIS A 806 -11.125 -7.047 -3.254 1.00 0.00 H new ATOM 0 HE1 HIS A 806 -11.785 -10.497 -5.625 1.00 0.00 H new ATOM 0 HE2 HIS A 806 -12.810 -8.924 -3.908 1.00 0.00 H new ATOM 484 N ALA A 807 -10.790 -4.681 -4.779 1.00 0.00 N ATOM 485 CA ALA A 807 -11.984 -4.081 -5.361 1.00 0.00 C ATOM 486 C ALA A 807 -11.649 -2.729 -5.979 1.00 0.00 C ATOM 487 O ALA A 807 -12.182 -2.372 -7.029 1.00 0.00 O ATOM 488 CB ALA A 807 -13.086 -3.928 -4.324 1.00 0.00 C ATOM 0 H ALA A 807 -10.704 -4.561 -3.770 1.00 0.00 H new ATOM 0 HA ALA A 807 -12.348 -4.748 -6.143 1.00 0.00 H new ATOM 0 HB1 ALA A 807 -13.963 -3.478 -4.789 1.00 0.00 H new ATOM 0 HB2 ALA A 807 -13.349 -4.908 -3.926 1.00 0.00 H new ATOM 0 HB3 ALA A 807 -12.737 -3.289 -3.513 1.00 0.00 H new ATOM 494 N SER A 808 -10.762 -1.977 -5.325 1.00 0.00 N ATOM 495 CA SER A 808 -10.325 -0.689 -5.851 1.00 0.00 C ATOM 496 C SER A 808 -9.455 -0.881 -7.090 1.00 0.00 C ATOM 497 O SER A 808 -9.370 0.000 -7.951 1.00 0.00 O ATOM 498 CB SER A 808 -9.559 0.091 -4.782 1.00 0.00 C ATOM 499 OG SER A 808 -8.921 -0.787 -3.871 1.00 0.00 O ATOM 0 H SER A 808 -10.336 -2.238 -4.436 1.00 0.00 H new ATOM 0 HA SER A 808 -11.209 -0.117 -6.135 1.00 0.00 H new ATOM 0 HB2 SER A 808 -8.815 0.731 -5.257 1.00 0.00 H new ATOM 0 HB3 SER A 808 -10.245 0.745 -4.243 1.00 0.00 H new ATOM 0 HG SER A 808 -9.557 -1.056 -3.176 1.00 0.00 H new ATOM 505 N GLY A 809 -8.812 -2.038 -7.169 1.00 0.00 N ATOM 506 CA GLY A 809 -8.027 -2.373 -8.338 1.00 0.00 C ATOM 507 C GLY A 809 -6.536 -2.283 -8.089 1.00 0.00 C ATOM 508 O GLY A 809 -5.742 -2.415 -9.017 1.00 0.00 O ATOM 0 H GLY A 809 -8.821 -2.752 -6.441 1.00 0.00 H new ATOM 0 HA2 GLY A 809 -8.277 -3.384 -8.660 1.00 0.00 H new ATOM 0 HA3 GLY A 809 -8.296 -1.703 -9.155 1.00 0.00 H new ATOM 512 N TYR A 810 -6.147 -2.081 -6.837 1.00 0.00 N ATOM 513 CA TYR A 810 -4.734 -1.939 -6.497 1.00 0.00 C ATOM 514 C TYR A 810 -4.102 -3.297 -6.218 1.00 0.00 C ATOM 515 O TYR A 810 -2.954 -3.391 -5.780 1.00 0.00 O ATOM 516 CB TYR A 810 -4.562 -1.005 -5.300 1.00 0.00 C ATOM 517 CG TYR A 810 -4.481 0.452 -5.696 1.00 0.00 C ATOM 518 CD1 TYR A 810 -3.771 0.841 -6.826 1.00 0.00 C ATOM 519 CD2 TYR A 810 -5.119 1.436 -4.949 1.00 0.00 C ATOM 520 CE1 TYR A 810 -3.698 2.167 -7.200 1.00 0.00 C ATOM 521 CE2 TYR A 810 -5.051 2.764 -5.320 1.00 0.00 C ATOM 522 CZ TYR A 810 -4.341 3.122 -6.443 1.00 0.00 C ATOM 523 OH TYR A 810 -4.277 4.442 -6.815 1.00 0.00 O ATOM 0 H TYR A 810 -6.784 -2.012 -6.043 1.00 0.00 H new ATOM 0 HA TYR A 810 -4.221 -1.499 -7.352 1.00 0.00 H new ATOM 0 HB2 TYR A 810 -5.398 -1.144 -4.614 1.00 0.00 H new ATOM 0 HB3 TYR A 810 -3.657 -1.280 -4.759 1.00 0.00 H new ATOM 0 HD1 TYR A 810 -3.268 0.093 -7.421 1.00 0.00 H new ATOM 0 HD2 TYR A 810 -5.675 1.158 -4.066 1.00 0.00 H new ATOM 0 HE1 TYR A 810 -3.141 2.454 -8.080 1.00 0.00 H new ATOM 0 HE2 TYR A 810 -5.553 3.518 -4.732 1.00 0.00 H new ATOM 0 HH TYR A 810 -4.784 4.987 -6.177 1.00 0.00 H new ATOM 533 N TYR A 811 -4.858 -4.349 -6.497 1.00 0.00 N ATOM 534 CA TYR A 811 -4.371 -5.712 -6.344 1.00 0.00 C ATOM 535 C TYR A 811 -3.203 -5.964 -7.296 1.00 0.00 C ATOM 536 O TYR A 811 -2.314 -6.766 -7.007 1.00 0.00 O ATOM 537 CB TYR A 811 -5.506 -6.696 -6.615 1.00 0.00 C ATOM 538 CG TYR A 811 -5.169 -8.140 -6.308 1.00 0.00 C ATOM 539 CD1 TYR A 811 -4.683 -8.515 -5.061 1.00 0.00 C ATOM 540 CD2 TYR A 811 -5.349 -9.126 -7.267 1.00 0.00 C ATOM 541 CE1 TYR A 811 -4.383 -9.837 -4.782 1.00 0.00 C ATOM 542 CE2 TYR A 811 -5.054 -10.446 -6.995 1.00 0.00 C ATOM 543 CZ TYR A 811 -4.572 -10.796 -5.752 1.00 0.00 C ATOM 544 OH TYR A 811 -4.278 -12.113 -5.485 1.00 0.00 O ATOM 0 H TYR A 811 -5.819 -4.283 -6.833 1.00 0.00 H new ATOM 0 HA TYR A 811 -4.017 -5.855 -5.323 1.00 0.00 H new ATOM 0 HB2 TYR A 811 -6.373 -6.404 -6.022 1.00 0.00 H new ATOM 0 HB3 TYR A 811 -5.796 -6.618 -7.663 1.00 0.00 H new ATOM 0 HD1 TYR A 811 -4.537 -7.764 -4.299 1.00 0.00 H new ATOM 0 HD2 TYR A 811 -5.726 -8.856 -8.242 1.00 0.00 H new ATOM 0 HE1 TYR A 811 -4.003 -10.115 -3.810 1.00 0.00 H new ATOM 0 HE2 TYR A 811 -5.200 -11.202 -7.753 1.00 0.00 H new ATOM 0 HH TYR A 811 -4.877 -12.447 -4.785 1.00 0.00 H new ATOM 554 N ALA A 812 -3.208 -5.256 -8.425 1.00 0.00 N ATOM 555 CA ALA A 812 -2.128 -5.343 -9.398 1.00 0.00 C ATOM 556 C ALA A 812 -0.803 -4.931 -8.768 1.00 0.00 C ATOM 557 O ALA A 812 0.210 -5.602 -8.945 1.00 0.00 O ATOM 558 CB ALA A 812 -2.436 -4.475 -10.614 1.00 0.00 C ATOM 0 H ALA A 812 -3.955 -4.613 -8.686 1.00 0.00 H new ATOM 0 HA ALA A 812 -2.043 -6.379 -9.726 1.00 0.00 H new ATOM 0 HB1 ALA A 812 -1.619 -4.551 -11.332 1.00 0.00 H new ATOM 0 HB2 ALA A 812 -3.361 -4.816 -11.079 1.00 0.00 H new ATOM 0 HB3 ALA A 812 -2.548 -3.437 -10.301 1.00 0.00 H new ATOM 564 N LEU A 813 -0.823 -3.839 -8.009 1.00 0.00 N ATOM 565 CA LEU A 813 0.374 -3.362 -7.323 1.00 0.00 C ATOM 566 C LEU A 813 0.778 -4.337 -6.223 1.00 0.00 C ATOM 567 O LEU A 813 1.968 -4.565 -5.977 1.00 0.00 O ATOM 568 CB LEU A 813 0.133 -1.972 -6.724 1.00 0.00 C ATOM 569 CG LEU A 813 0.648 -0.800 -7.566 1.00 0.00 C ATOM 570 CD1 LEU A 813 0.407 0.518 -6.843 1.00 0.00 C ATOM 571 CD2 LEU A 813 2.127 -0.972 -7.874 1.00 0.00 C ATOM 0 H LEU A 813 -1.654 -3.268 -7.853 1.00 0.00 H new ATOM 0 HA LEU A 813 1.182 -3.295 -8.052 1.00 0.00 H new ATOM 0 HB2 LEU A 813 -0.938 -1.843 -6.567 1.00 0.00 H new ATOM 0 HB3 LEU A 813 0.607 -1.930 -5.743 1.00 0.00 H new ATOM 0 HG LEU A 813 0.100 -0.786 -8.508 1.00 0.00 H new ATOM 0 HD11 LEU A 813 0.778 1.341 -7.454 1.00 0.00 H new ATOM 0 HD12 LEU A 813 -0.661 0.648 -6.670 1.00 0.00 H new ATOM 0 HD13 LEU A 813 0.931 0.510 -5.887 1.00 0.00 H new ATOM 0 HD21 LEU A 813 2.474 -0.130 -8.473 1.00 0.00 H new ATOM 0 HD22 LEU A 813 2.691 -1.011 -6.942 1.00 0.00 H new ATOM 0 HD23 LEU A 813 2.278 -1.898 -8.429 1.00 0.00 H new ATOM 583 N PHE A 814 -0.227 -4.926 -5.585 1.00 0.00 N ATOM 584 CA PHE A 814 -0.015 -5.897 -4.517 1.00 0.00 C ATOM 585 C PHE A 814 0.758 -7.112 -5.028 1.00 0.00 C ATOM 586 O PHE A 814 1.609 -7.657 -4.327 1.00 0.00 O ATOM 587 CB PHE A 814 -1.367 -6.334 -3.940 1.00 0.00 C ATOM 588 CG PHE A 814 -1.283 -6.982 -2.588 1.00 0.00 C ATOM 589 CD1 PHE A 814 -0.438 -6.484 -1.612 1.00 0.00 C ATOM 590 CD2 PHE A 814 -2.062 -8.089 -2.292 1.00 0.00 C ATOM 591 CE1 PHE A 814 -0.368 -7.077 -0.366 1.00 0.00 C ATOM 592 CE2 PHE A 814 -1.999 -8.686 -1.049 1.00 0.00 C ATOM 593 CZ PHE A 814 -1.152 -8.181 -0.084 1.00 0.00 C ATOM 0 H PHE A 814 -1.209 -4.745 -5.792 1.00 0.00 H new ATOM 0 HA PHE A 814 0.577 -5.426 -3.733 1.00 0.00 H new ATOM 0 HB2 PHE A 814 -2.018 -5.463 -3.872 1.00 0.00 H new ATOM 0 HB3 PHE A 814 -1.837 -7.030 -4.635 1.00 0.00 H new ATOM 0 HD1 PHE A 814 0.175 -5.621 -1.827 1.00 0.00 H new ATOM 0 HD2 PHE A 814 -2.727 -8.490 -3.043 1.00 0.00 H new ATOM 0 HE1 PHE A 814 0.297 -6.679 0.386 1.00 0.00 H new ATOM 0 HE2 PHE A 814 -2.612 -9.548 -0.832 1.00 0.00 H new ATOM 0 HZ PHE A 814 -1.101 -8.647 0.889 1.00 0.00 H new ATOM 603 N VAL A 815 0.473 -7.525 -6.255 1.00 0.00 N ATOM 604 CA VAL A 815 1.153 -8.669 -6.842 1.00 0.00 C ATOM 605 C VAL A 815 2.255 -8.222 -7.795 1.00 0.00 C ATOM 606 O VAL A 815 2.750 -9.009 -8.602 1.00 0.00 O ATOM 607 CB VAL A 815 0.172 -9.599 -7.593 1.00 0.00 C ATOM 608 CG1 VAL A 815 -0.892 -10.126 -6.648 1.00 0.00 C ATOM 609 CG2 VAL A 815 -0.473 -8.880 -8.771 1.00 0.00 C ATOM 0 H VAL A 815 -0.221 -7.087 -6.860 1.00 0.00 H new ATOM 0 HA VAL A 815 1.595 -9.227 -6.017 1.00 0.00 H new ATOM 0 HB VAL A 815 0.742 -10.443 -7.982 1.00 0.00 H new ATOM 0 HG11 VAL A 815 -1.573 -10.778 -7.194 1.00 0.00 H new ATOM 0 HG12 VAL A 815 -0.418 -10.688 -5.844 1.00 0.00 H new ATOM 0 HG13 VAL A 815 -1.450 -9.290 -6.226 1.00 0.00 H new ATOM 0 HG21 VAL A 815 -1.158 -9.558 -9.280 1.00 0.00 H new ATOM 0 HG22 VAL A 815 -1.024 -8.012 -8.410 1.00 0.00 H new ATOM 0 HG23 VAL A 815 0.301 -8.555 -9.467 1.00 0.00 H new ATOM 619 N ASP A 816 2.638 -6.957 -7.704 1.00 0.00 N ATOM 620 CA ASP A 816 3.667 -6.420 -8.583 1.00 0.00 C ATOM 621 C ASP A 816 4.977 -6.218 -7.837 1.00 0.00 C ATOM 622 O ASP A 816 5.880 -7.050 -7.911 1.00 0.00 O ATOM 623 CB ASP A 816 3.213 -5.099 -9.206 1.00 0.00 C ATOM 624 CG ASP A 816 3.580 -4.995 -10.670 1.00 0.00 C ATOM 625 OD1 ASP A 816 2.899 -5.630 -11.507 1.00 0.00 O ATOM 626 OD2 ASP A 816 4.553 -4.284 -10.995 1.00 0.00 O ATOM 0 H ASP A 816 2.256 -6.288 -7.036 1.00 0.00 H new ATOM 0 HA ASP A 816 3.832 -7.147 -9.378 1.00 0.00 H new ATOM 0 HB2 ASP A 816 2.133 -5.002 -9.097 1.00 0.00 H new ATOM 0 HB3 ASP A 816 3.664 -4.270 -8.661 1.00 0.00 H new ATOM 631 N THR A 817 5.066 -5.126 -7.092 1.00 0.00 N ATOM 632 CA THR A 817 6.311 -4.761 -6.434 1.00 0.00 C ATOM 633 C THR A 817 6.415 -5.366 -5.033 1.00 0.00 C ATOM 634 O THR A 817 7.512 -5.488 -4.495 1.00 0.00 O ATOM 635 CB THR A 817 6.488 -3.220 -6.374 1.00 0.00 C ATOM 636 OG1 THR A 817 7.879 -2.881 -6.451 1.00 0.00 O ATOM 637 CG2 THR A 817 5.890 -2.628 -5.104 1.00 0.00 C ATOM 0 H THR A 817 4.294 -4.480 -6.929 1.00 0.00 H new ATOM 0 HA THR A 817 7.119 -5.176 -7.036 1.00 0.00 H new ATOM 0 HB THR A 817 5.955 -2.797 -7.226 1.00 0.00 H new ATOM 0 HG1 THR A 817 7.981 -1.907 -6.414 1.00 0.00 H new ATOM 0 HG21 THR A 817 6.036 -1.548 -5.102 1.00 0.00 H new ATOM 0 HG22 THR A 817 4.824 -2.850 -5.066 1.00 0.00 H new ATOM 0 HG23 THR A 817 6.382 -3.062 -4.234 1.00 0.00 H new ATOM 645 N VAL A 818 5.285 -5.783 -4.462 1.00 0.00 N ATOM 646 CA VAL A 818 5.273 -6.274 -3.085 1.00 0.00 C ATOM 647 C VAL A 818 6.129 -7.539 -2.922 1.00 0.00 C ATOM 648 O VAL A 818 7.024 -7.565 -2.077 1.00 0.00 O ATOM 649 CB VAL A 818 3.838 -6.529 -2.572 1.00 0.00 C ATOM 650 CG1 VAL A 818 3.859 -7.156 -1.185 1.00 0.00 C ATOM 651 CG2 VAL A 818 3.044 -5.232 -2.558 1.00 0.00 C ATOM 0 H VAL A 818 4.376 -5.791 -4.925 1.00 0.00 H new ATOM 0 HA VAL A 818 5.712 -5.484 -2.476 1.00 0.00 H new ATOM 0 HB VAL A 818 3.352 -7.229 -3.252 1.00 0.00 H new ATOM 0 HG11 VAL A 818 2.837 -7.325 -0.847 1.00 0.00 H new ATOM 0 HG12 VAL A 818 4.391 -8.107 -1.224 1.00 0.00 H new ATOM 0 HG13 VAL A 818 4.365 -6.485 -0.490 1.00 0.00 H new ATOM 0 HG21 VAL A 818 2.035 -5.427 -2.194 1.00 0.00 H new ATOM 0 HG22 VAL A 818 3.534 -4.513 -1.902 1.00 0.00 H new ATOM 0 HG23 VAL A 818 2.993 -4.825 -3.568 1.00 0.00 H new ATOM 661 N PRO A 819 5.894 -8.603 -3.730 1.00 0.00 N ATOM 662 CA PRO A 819 6.699 -9.831 -3.653 1.00 0.00 C ATOM 663 C PRO A 819 8.188 -9.556 -3.863 1.00 0.00 C ATOM 664 O PRO A 819 9.043 -10.123 -3.178 1.00 0.00 O ATOM 665 CB PRO A 819 6.150 -10.701 -4.791 1.00 0.00 C ATOM 666 CG PRO A 819 4.775 -10.185 -5.034 1.00 0.00 C ATOM 667 CD PRO A 819 4.835 -8.711 -4.755 1.00 0.00 C ATOM 0 HA PRO A 819 6.627 -10.302 -2.673 1.00 0.00 H new ATOM 0 HB2 PRO A 819 6.767 -10.618 -5.685 1.00 0.00 H new ATOM 0 HB3 PRO A 819 6.134 -11.754 -4.511 1.00 0.00 H new ATOM 0 HG2 PRO A 819 4.462 -10.376 -6.060 1.00 0.00 H new ATOM 0 HG3 PRO A 819 4.052 -10.677 -4.383 1.00 0.00 H new ATOM 0 HD2 PRO A 819 5.082 -8.142 -5.651 1.00 0.00 H new ATOM 0 HD3 PRO A 819 3.881 -8.331 -4.389 1.00 0.00 H new ATOM 675 N ASP A 820 8.488 -8.657 -4.795 1.00 0.00 N ATOM 676 CA ASP A 820 9.872 -8.327 -5.115 1.00 0.00 C ATOM 677 C ASP A 820 10.524 -7.562 -3.974 1.00 0.00 C ATOM 678 O ASP A 820 11.677 -7.812 -3.639 1.00 0.00 O ATOM 679 CB ASP A 820 9.956 -7.506 -6.402 1.00 0.00 C ATOM 680 CG ASP A 820 11.282 -7.691 -7.115 1.00 0.00 C ATOM 681 OD1 ASP A 820 12.317 -7.201 -6.616 1.00 0.00 O ATOM 682 OD2 ASP A 820 11.299 -8.326 -8.189 1.00 0.00 O ATOM 0 H ASP A 820 7.794 -8.146 -5.340 1.00 0.00 H new ATOM 0 HA ASP A 820 10.408 -9.265 -5.262 1.00 0.00 H new ATOM 0 HB2 ASP A 820 9.144 -7.795 -7.069 1.00 0.00 H new ATOM 0 HB3 ASP A 820 9.816 -6.451 -6.167 1.00 0.00 H new ATOM 687 N ASP A 821 9.778 -6.640 -3.374 1.00 0.00 N ATOM 688 CA ASP A 821 10.284 -5.845 -2.255 1.00 0.00 C ATOM 689 C ASP A 821 10.612 -6.740 -1.067 1.00 0.00 C ATOM 690 O ASP A 821 11.608 -6.531 -0.374 1.00 0.00 O ATOM 691 CB ASP A 821 9.271 -4.769 -1.847 1.00 0.00 C ATOM 692 CG ASP A 821 9.697 -3.380 -2.283 1.00 0.00 C ATOM 693 OD1 ASP A 821 10.116 -3.222 -3.450 1.00 0.00 O ATOM 694 OD2 ASP A 821 9.625 -2.440 -1.463 1.00 0.00 O ATOM 0 H ASP A 821 8.818 -6.423 -3.643 1.00 0.00 H new ATOM 0 HA ASP A 821 11.199 -5.349 -2.580 1.00 0.00 H new ATOM 0 HB2 ASP A 821 8.300 -5.003 -2.285 1.00 0.00 H new ATOM 0 HB3 ASP A 821 9.145 -4.784 -0.764 1.00 0.00 H new ATOM 699 N VAL A 822 9.781 -7.753 -0.845 1.00 0.00 N ATOM 700 CA VAL A 822 10.050 -8.740 0.193 1.00 0.00 C ATOM 701 C VAL A 822 11.351 -9.481 -0.115 1.00 0.00 C ATOM 702 O VAL A 822 12.187 -9.695 0.768 1.00 0.00 O ATOM 703 CB VAL A 822 8.891 -9.756 0.327 1.00 0.00 C ATOM 704 CG1 VAL A 822 9.213 -10.819 1.365 1.00 0.00 C ATOM 705 CG2 VAL A 822 7.597 -9.044 0.688 1.00 0.00 C ATOM 0 H VAL A 822 8.919 -7.911 -1.368 1.00 0.00 H new ATOM 0 HA VAL A 822 10.145 -8.209 1.140 1.00 0.00 H new ATOM 0 HB VAL A 822 8.764 -10.248 -0.637 1.00 0.00 H new ATOM 0 HG11 VAL A 822 8.381 -11.520 1.438 1.00 0.00 H new ATOM 0 HG12 VAL A 822 10.114 -11.356 1.069 1.00 0.00 H new ATOM 0 HG13 VAL A 822 9.375 -10.345 2.333 1.00 0.00 H new ATOM 0 HG21 VAL A 822 6.793 -9.774 0.778 1.00 0.00 H new ATOM 0 HG22 VAL A 822 7.721 -8.522 1.637 1.00 0.00 H new ATOM 0 HG23 VAL A 822 7.348 -8.324 -0.092 1.00 0.00 H new ATOM 715 N LYS A 823 11.526 -9.856 -1.380 1.00 0.00 N ATOM 716 CA LYS A 823 12.755 -10.504 -1.818 1.00 0.00 C ATOM 717 C LYS A 823 13.938 -9.549 -1.704 1.00 0.00 C ATOM 718 O LYS A 823 15.049 -9.974 -1.397 1.00 0.00 O ATOM 719 CB LYS A 823 12.616 -11.004 -3.254 1.00 0.00 C ATOM 720 CG LYS A 823 13.254 -12.362 -3.476 1.00 0.00 C ATOM 721 CD LYS A 823 12.846 -12.960 -4.811 1.00 0.00 C ATOM 722 CE LYS A 823 11.661 -13.896 -4.652 1.00 0.00 C ATOM 723 NZ LYS A 823 12.075 -15.256 -4.213 1.00 0.00 N ATOM 0 H LYS A 823 10.833 -9.722 -2.116 1.00 0.00 H new ATOM 0 HA LYS A 823 12.938 -11.360 -1.168 1.00 0.00 H new ATOM 0 HB2 LYS A 823 11.558 -11.060 -3.512 1.00 0.00 H new ATOM 0 HB3 LYS A 823 13.072 -10.280 -3.930 1.00 0.00 H new ATOM 0 HG2 LYS A 823 14.339 -12.266 -3.436 1.00 0.00 H new ATOM 0 HG3 LYS A 823 12.964 -13.037 -2.671 1.00 0.00 H new ATOM 0 HD2 LYS A 823 12.592 -12.162 -5.508 1.00 0.00 H new ATOM 0 HD3 LYS A 823 13.687 -13.503 -5.242 1.00 0.00 H new ATOM 0 HE2 LYS A 823 10.965 -13.478 -3.925 1.00 0.00 H new ATOM 0 HE3 LYS A 823 11.128 -13.969 -5.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 823 11.234 -15.861 -4.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 823 12.719 -15.667 -4.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 823 12.561 -15.192 -3.296 1.00 0.00 H new ATOM 737 N ARG A 824 13.700 -8.264 -1.955 1.00 0.00 N ATOM 738 CA ARG A 824 14.727 -7.243 -1.764 1.00 0.00 C ATOM 739 C ARG A 824 15.221 -7.287 -0.328 1.00 0.00 C ATOM 740 O ARG A 824 16.422 -7.309 -0.081 1.00 0.00 O ATOM 741 CB ARG A 824 14.190 -5.838 -2.076 1.00 0.00 C ATOM 742 CG ARG A 824 13.854 -5.600 -3.541 1.00 0.00 C ATOM 743 CD ARG A 824 14.956 -6.086 -4.464 1.00 0.00 C ATOM 744 NE ARG A 824 14.569 -7.308 -5.166 1.00 0.00 N ATOM 745 CZ ARG A 824 15.349 -8.376 -5.290 1.00 0.00 C ATOM 746 NH1 ARG A 824 16.586 -8.361 -4.812 1.00 0.00 N ATOM 747 NH2 ARG A 824 14.902 -9.458 -5.916 1.00 0.00 N ATOM 0 H ARG A 824 12.806 -7.905 -2.291 1.00 0.00 H new ATOM 0 HA ARG A 824 15.546 -7.453 -2.452 1.00 0.00 H new ATOM 0 HB2 ARG A 824 13.295 -5.664 -1.479 1.00 0.00 H new ATOM 0 HB3 ARG A 824 14.930 -5.102 -1.762 1.00 0.00 H new ATOM 0 HG2 ARG A 824 12.923 -6.111 -3.787 1.00 0.00 H new ATOM 0 HG3 ARG A 824 13.686 -4.536 -3.706 1.00 0.00 H new ATOM 0 HD2 ARG A 824 15.193 -5.308 -5.190 1.00 0.00 H new ATOM 0 HD3 ARG A 824 15.862 -6.269 -3.886 1.00 0.00 H new ATOM 0 HE ARG A 824 13.641 -7.343 -5.588 1.00 0.00 H new ATOM 0 HH11 ARG A 824 16.943 -7.527 -4.346 1.00 0.00 H new ATOM 0 HH12 ARG A 824 17.181 -9.184 -4.910 1.00 0.00 H new ATOM 0 HH21 ARG A 824 13.958 -9.470 -6.303 1.00 0.00 H new ATOM 0 HH22 ARG A 824 15.502 -10.277 -6.010 1.00 0.00 H new ATOM 761 N LEU A 825 14.278 -7.326 0.611 1.00 0.00 N ATOM 762 CA LEU A 825 14.605 -7.441 2.026 1.00 0.00 C ATOM 763 C LEU A 825 15.516 -8.638 2.267 1.00 0.00 C ATOM 764 O LEU A 825 16.551 -8.514 2.911 1.00 0.00 O ATOM 765 CB LEU A 825 13.334 -7.584 2.862 1.00 0.00 C ATOM 766 CG LEU A 825 12.577 -6.281 3.118 1.00 0.00 C ATOM 767 CD1 LEU A 825 11.083 -6.542 3.207 1.00 0.00 C ATOM 768 CD2 LEU A 825 13.082 -5.610 4.386 1.00 0.00 C ATOM 0 H LEU A 825 13.278 -7.279 0.414 1.00 0.00 H new ATOM 0 HA LEU A 825 15.125 -6.532 2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 825 12.664 -8.283 2.360 1.00 0.00 H new ATOM 0 HB3 LEU A 825 13.597 -8.028 3.822 1.00 0.00 H new ATOM 0 HG LEU A 825 12.757 -5.607 2.280 1.00 0.00 H new ATOM 0 HD11 LEU A 825 10.560 -5.603 3.390 1.00 0.00 H new ATOM 0 HD12 LEU A 825 10.733 -6.976 2.270 1.00 0.00 H new ATOM 0 HD13 LEU A 825 10.883 -7.234 4.025 1.00 0.00 H new ATOM 0 HD21 LEU A 825 12.531 -4.684 4.552 1.00 0.00 H new ATOM 0 HD22 LEU A 825 12.933 -6.277 5.235 1.00 0.00 H new ATOM 0 HD23 LEU A 825 14.144 -5.387 4.281 1.00 0.00 H new ATOM 780 N TYR A 826 15.126 -9.791 1.731 1.00 0.00 N ATOM 781 CA TYR A 826 15.941 -11.003 1.829 1.00 0.00 C ATOM 782 C TYR A 826 17.344 -10.761 1.274 1.00 0.00 C ATOM 783 O TYR A 826 18.353 -11.073 1.916 1.00 0.00 O ATOM 784 CB TYR A 826 15.286 -12.144 1.042 1.00 0.00 C ATOM 785 CG TYR A 826 14.026 -12.700 1.665 1.00 0.00 C ATOM 786 CD1 TYR A 826 13.965 -13.019 3.016 1.00 0.00 C ATOM 787 CD2 TYR A 826 12.897 -12.917 0.890 1.00 0.00 C ATOM 788 CE1 TYR A 826 12.810 -13.538 3.575 1.00 0.00 C ATOM 789 CE2 TYR A 826 11.743 -13.434 1.437 1.00 0.00 C ATOM 790 CZ TYR A 826 11.703 -13.743 2.779 1.00 0.00 C ATOM 791 OH TYR A 826 10.549 -14.263 3.323 1.00 0.00 O ATOM 0 H TYR A 826 14.250 -9.914 1.223 1.00 0.00 H new ATOM 0 HA TYR A 826 16.015 -11.273 2.882 1.00 0.00 H new ATOM 0 HB2 TYR A 826 15.052 -11.788 0.039 1.00 0.00 H new ATOM 0 HB3 TYR A 826 16.008 -12.953 0.933 1.00 0.00 H new ATOM 0 HD1 TYR A 826 14.832 -12.860 3.640 1.00 0.00 H new ATOM 0 HD2 TYR A 826 12.923 -12.676 -0.162 1.00 0.00 H new ATOM 0 HE1 TYR A 826 12.776 -13.781 4.627 1.00 0.00 H new ATOM 0 HE2 TYR A 826 10.874 -13.596 0.817 1.00 0.00 H new ATOM 0 HH TYR A 826 9.865 -14.342 2.625 1.00 0.00 H new ATOM 801 N THR A 827 17.388 -10.155 0.096 1.00 0.00 N ATOM 802 CA THR A 827 18.623 -9.985 -0.654 1.00 0.00 C ATOM 803 C THR A 827 19.591 -9.031 0.047 1.00 0.00 C ATOM 804 O THR A 827 20.792 -9.300 0.120 1.00 0.00 O ATOM 805 CB THR A 827 18.316 -9.472 -2.075 1.00 0.00 C ATOM 806 OG1 THR A 827 17.312 -10.299 -2.685 1.00 0.00 O ATOM 807 CG2 THR A 827 19.555 -9.468 -2.951 1.00 0.00 C ATOM 0 H THR A 827 16.566 -9.767 -0.367 1.00 0.00 H new ATOM 0 HA THR A 827 19.105 -10.961 -0.715 1.00 0.00 H new ATOM 0 HB THR A 827 17.957 -8.447 -1.984 1.00 0.00 H new ATOM 0 HG1 THR A 827 16.425 -9.922 -2.507 1.00 0.00 H new ATOM 0 HG21 THR A 827 19.297 -9.100 -3.944 1.00 0.00 H new ATOM 0 HG22 THR A 827 20.311 -8.819 -2.509 1.00 0.00 H new ATOM 0 HG23 THR A 827 19.948 -10.482 -3.030 1.00 0.00 H new ATOM 815 N GLU A 828 19.073 -7.929 0.569 1.00 0.00 N ATOM 816 CA GLU A 828 19.913 -6.948 1.245 1.00 0.00 C ATOM 817 C GLU A 828 20.246 -7.398 2.664 1.00 0.00 C ATOM 818 O GLU A 828 21.308 -7.065 3.193 1.00 0.00 O ATOM 819 CB GLU A 828 19.241 -5.572 1.262 1.00 0.00 C ATOM 820 CG GLU A 828 18.573 -5.200 -0.054 1.00 0.00 C ATOM 821 CD GLU A 828 19.555 -4.944 -1.183 1.00 0.00 C ATOM 822 OE1 GLU A 828 20.740 -5.321 -1.058 1.00 0.00 O ATOM 823 OE2 GLU A 828 19.137 -4.375 -2.214 1.00 0.00 O ATOM 0 H GLU A 828 18.082 -7.691 0.539 1.00 0.00 H new ATOM 0 HA GLU A 828 20.845 -6.867 0.686 1.00 0.00 H new ATOM 0 HB2 GLU A 828 18.495 -5.552 2.056 1.00 0.00 H new ATOM 0 HB3 GLU A 828 19.987 -4.816 1.507 1.00 0.00 H new ATOM 0 HG2 GLU A 828 17.896 -6.002 -0.348 1.00 0.00 H new ATOM 0 HG3 GLU A 828 17.965 -4.308 0.096 1.00 0.00 H new ATOM 830 N ALA A 829 19.345 -8.163 3.278 1.00 0.00 N ATOM 831 CA ALA A 829 19.594 -8.710 4.609 1.00 0.00 C ATOM 832 C ALA A 829 20.761 -9.683 4.572 1.00 0.00 C ATOM 833 O ALA A 829 21.520 -9.796 5.536 1.00 0.00 O ATOM 834 CB ALA A 829 18.357 -9.404 5.157 1.00 0.00 C ATOM 0 H ALA A 829 18.442 -8.416 2.878 1.00 0.00 H new ATOM 0 HA ALA A 829 19.843 -7.880 5.270 1.00 0.00 H new ATOM 0 HB1 ALA A 829 18.572 -9.801 6.149 1.00 0.00 H new ATOM 0 HB2 ALA A 829 17.537 -8.688 5.223 1.00 0.00 H new ATOM 0 HB3 ALA A 829 18.074 -10.220 4.493 1.00 0.00 H new ATOM 840 N ALA A 830 20.895 -10.386 3.451 1.00 0.00 N ATOM 841 CA ALA A 830 22.012 -11.301 3.248 1.00 0.00 C ATOM 842 C ALA A 830 23.351 -10.572 3.364 1.00 0.00 C ATOM 843 O ALA A 830 24.282 -11.070 3.999 1.00 0.00 O ATOM 844 CB ALA A 830 21.893 -11.977 1.894 1.00 0.00 C ATOM 0 H ALA A 830 20.242 -10.339 2.669 1.00 0.00 H new ATOM 0 HA ALA A 830 21.976 -12.061 4.029 1.00 0.00 H new ATOM 0 HB1 ALA A 830 22.732 -12.658 1.752 1.00 0.00 H new ATOM 0 HB2 ALA A 830 20.959 -12.537 1.848 1.00 0.00 H new ATOM 0 HB3 ALA A 830 21.902 -11.222 1.108 1.00 0.00 H new ATOM 850 N THR A 831 23.443 -9.394 2.755 1.00 0.00 N ATOM 851 CA THR A 831 24.667 -8.601 2.805 1.00 0.00 C ATOM 852 C THR A 831 24.670 -7.643 3.996 1.00 0.00 C ATOM 853 O THR A 831 25.539 -6.774 4.100 1.00 0.00 O ATOM 854 CB THR A 831 24.854 -7.789 1.514 1.00 0.00 C ATOM 855 OG1 THR A 831 23.908 -8.215 0.525 1.00 0.00 O ATOM 856 CG2 THR A 831 26.267 -7.941 0.975 1.00 0.00 C ATOM 0 H THR A 831 22.685 -8.967 2.221 1.00 0.00 H new ATOM 0 HA THR A 831 25.491 -9.306 2.915 1.00 0.00 H new ATOM 0 HB THR A 831 24.686 -6.737 1.746 1.00 0.00 H new ATOM 0 HG1 THR A 831 24.033 -7.691 -0.294 1.00 0.00 H new ATOM 0 HG21 THR A 831 26.373 -7.356 0.061 1.00 0.00 H new ATOM 0 HG22 THR A 831 26.980 -7.585 1.718 1.00 0.00 H new ATOM 0 HG23 THR A 831 26.463 -8.991 0.759 1.00 0.00 H new ATOM 864 N SER A 832 23.685 -7.802 4.879 1.00 0.00 N ATOM 865 CA SER A 832 23.575 -7.000 6.095 1.00 0.00 C ATOM 866 C SER A 832 23.475 -5.513 5.769 1.00 0.00 C ATOM 867 O SER A 832 24.008 -4.667 6.489 1.00 0.00 O ATOM 868 CB SER A 832 24.758 -7.264 7.037 1.00 0.00 C ATOM 869 OG SER A 832 25.414 -8.478 6.713 1.00 0.00 O ATOM 0 H SER A 832 22.941 -8.491 4.771 1.00 0.00 H new ATOM 0 HA SER A 832 22.658 -7.298 6.603 1.00 0.00 H new ATOM 0 HB2 SER A 832 25.466 -6.438 6.975 1.00 0.00 H new ATOM 0 HB3 SER A 832 24.404 -7.303 8.067 1.00 0.00 H new ATOM 0 HG SER A 832 26.164 -8.619 7.328 1.00 0.00 H new ATOM 875 N ASP A 833 22.790 -5.194 4.681 1.00 0.00 N ATOM 876 CA ASP A 833 22.555 -3.806 4.321 1.00 0.00 C ATOM 877 C ASP A 833 21.311 -3.301 5.033 1.00 0.00 C ATOM 878 O ASP A 833 20.255 -3.111 4.429 1.00 0.00 O ATOM 879 CB ASP A 833 22.403 -3.639 2.808 1.00 0.00 C ATOM 880 CG ASP A 833 22.756 -2.235 2.349 1.00 0.00 C ATOM 881 OD1 ASP A 833 22.316 -1.256 2.994 1.00 0.00 O ATOM 882 OD2 ASP A 833 23.485 -2.104 1.346 1.00 0.00 O ATOM 0 H ASP A 833 22.389 -5.875 4.036 1.00 0.00 H new ATOM 0 HA ASP A 833 23.419 -3.219 4.633 1.00 0.00 H new ATOM 0 HB2 ASP A 833 23.044 -4.358 2.298 1.00 0.00 H new ATOM 0 HB3 ASP A 833 21.377 -3.867 2.520 1.00 0.00 H new ATOM 887 N PHE A 834 21.448 -3.111 6.335 1.00 0.00 N ATOM 888 CA PHE A 834 20.342 -2.680 7.182 1.00 0.00 C ATOM 889 C PHE A 834 19.845 -1.289 6.798 1.00 0.00 C ATOM 890 O PHE A 834 18.682 -0.958 7.024 1.00 0.00 O ATOM 891 CB PHE A 834 20.767 -2.722 8.654 1.00 0.00 C ATOM 892 CG PHE A 834 21.219 -4.085 9.101 1.00 0.00 C ATOM 893 CD1 PHE A 834 20.301 -5.103 9.301 1.00 0.00 C ATOM 894 CD2 PHE A 834 22.560 -4.348 9.314 1.00 0.00 C ATOM 895 CE1 PHE A 834 20.715 -6.358 9.707 1.00 0.00 C ATOM 896 CE2 PHE A 834 22.980 -5.601 9.718 1.00 0.00 C ATOM 897 CZ PHE A 834 22.056 -6.606 9.915 1.00 0.00 C ATOM 0 H PHE A 834 22.326 -3.250 6.836 1.00 0.00 H new ATOM 0 HA PHE A 834 19.511 -3.369 7.032 1.00 0.00 H new ATOM 0 HB2 PHE A 834 21.575 -2.008 8.813 1.00 0.00 H new ATOM 0 HB3 PHE A 834 19.931 -2.401 9.276 1.00 0.00 H new ATOM 0 HD1 PHE A 834 19.250 -4.914 9.138 1.00 0.00 H new ATOM 0 HD2 PHE A 834 23.288 -3.565 9.163 1.00 0.00 H new ATOM 0 HE1 PHE A 834 19.990 -7.143 9.861 1.00 0.00 H new ATOM 0 HE2 PHE A 834 24.030 -5.793 9.879 1.00 0.00 H new ATOM 0 HZ PHE A 834 22.382 -7.586 10.232 1.00 0.00 H new ATOM 907 N ALA A 835 20.718 -0.484 6.210 1.00 0.00 N ATOM 908 CA ALA A 835 20.318 0.821 5.706 1.00 0.00 C ATOM 909 C ALA A 835 19.284 0.658 4.594 1.00 0.00 C ATOM 910 O ALA A 835 18.259 1.352 4.562 1.00 0.00 O ATOM 911 CB ALA A 835 21.533 1.590 5.207 1.00 0.00 C ATOM 0 H ALA A 835 21.703 -0.710 6.071 1.00 0.00 H new ATOM 0 HA ALA A 835 19.865 1.391 6.517 1.00 0.00 H new ATOM 0 HB1 ALA A 835 21.218 2.564 4.833 1.00 0.00 H new ATOM 0 HB2 ALA A 835 22.239 1.726 6.026 1.00 0.00 H new ATOM 0 HB3 ALA A 835 22.013 1.031 4.404 1.00 0.00 H new ATOM 917 N ALA A 836 19.530 -0.306 3.713 1.00 0.00 N ATOM 918 CA ALA A 836 18.634 -0.559 2.597 1.00 0.00 C ATOM 919 C ALA A 836 17.378 -1.246 3.095 1.00 0.00 C ATOM 920 O ALA A 836 16.280 -0.998 2.601 1.00 0.00 O ATOM 921 CB ALA A 836 19.317 -1.398 1.530 1.00 0.00 C ATOM 0 H ALA A 836 20.342 -0.922 3.752 1.00 0.00 H new ATOM 0 HA ALA A 836 18.362 0.395 2.145 1.00 0.00 H new ATOM 0 HB1 ALA A 836 18.625 -1.573 0.706 1.00 0.00 H new ATOM 0 HB2 ALA A 836 20.196 -0.870 1.160 1.00 0.00 H new ATOM 0 HB3 ALA A 836 19.621 -2.353 1.958 1.00 0.00 H new ATOM 927 N LEU A 837 17.553 -2.099 4.095 1.00 0.00 N ATOM 928 CA LEU A 837 16.437 -2.767 4.744 1.00 0.00 C ATOM 929 C LEU A 837 15.472 -1.740 5.324 1.00 0.00 C ATOM 930 O LEU A 837 14.258 -1.871 5.185 1.00 0.00 O ATOM 931 CB LEU A 837 16.949 -3.692 5.849 1.00 0.00 C ATOM 932 CG LEU A 837 16.757 -5.184 5.589 1.00 0.00 C ATOM 933 CD1 LEU A 837 17.160 -5.537 4.168 1.00 0.00 C ATOM 934 CD2 LEU A 837 17.556 -6.005 6.591 1.00 0.00 C ATOM 0 H LEU A 837 18.467 -2.345 4.476 1.00 0.00 H new ATOM 0 HA LEU A 837 15.907 -3.364 4.002 1.00 0.00 H new ATOM 0 HB2 LEU A 837 18.011 -3.499 5.999 1.00 0.00 H new ATOM 0 HB3 LEU A 837 16.444 -3.434 6.780 1.00 0.00 H new ATOM 0 HG LEU A 837 15.700 -5.421 5.712 1.00 0.00 H new ATOM 0 HD11 LEU A 837 17.016 -6.605 4.003 1.00 0.00 H new ATOM 0 HD12 LEU A 837 16.545 -4.975 3.465 1.00 0.00 H new ATOM 0 HD13 LEU A 837 18.209 -5.285 4.014 1.00 0.00 H new ATOM 0 HD21 LEU A 837 17.408 -7.066 6.392 1.00 0.00 H new ATOM 0 HD22 LEU A 837 18.615 -5.762 6.498 1.00 0.00 H new ATOM 0 HD23 LEU A 837 17.218 -5.775 7.601 1.00 0.00 H new ATOM 946 N ALA A 838 16.028 -0.709 5.955 1.00 0.00 N ATOM 947 CA ALA A 838 15.227 0.381 6.500 1.00 0.00 C ATOM 948 C ALA A 838 14.452 1.085 5.392 1.00 0.00 C ATOM 949 O ALA A 838 13.256 1.355 5.535 1.00 0.00 O ATOM 950 CB ALA A 838 16.109 1.372 7.248 1.00 0.00 C ATOM 0 H ALA A 838 17.032 -0.606 6.101 1.00 0.00 H new ATOM 0 HA ALA A 838 14.510 -0.041 7.204 1.00 0.00 H new ATOM 0 HB1 ALA A 838 15.493 2.178 7.647 1.00 0.00 H new ATOM 0 HB2 ALA A 838 16.615 0.862 8.068 1.00 0.00 H new ATOM 0 HB3 ALA A 838 16.851 1.786 6.565 1.00 0.00 H new ATOM 956 N GLN A 839 15.132 1.370 4.283 1.00 0.00 N ATOM 957 CA GLN A 839 14.483 1.992 3.131 1.00 0.00 C ATOM 958 C GLN A 839 13.346 1.109 2.610 1.00 0.00 C ATOM 959 O GLN A 839 12.253 1.595 2.317 1.00 0.00 O ATOM 960 CB GLN A 839 15.488 2.249 2.001 1.00 0.00 C ATOM 961 CG GLN A 839 16.616 3.211 2.356 1.00 0.00 C ATOM 962 CD GLN A 839 16.248 4.208 3.439 1.00 0.00 C ATOM 963 OE1 GLN A 839 15.242 4.914 3.347 1.00 0.00 O ATOM 964 NE2 GLN A 839 17.072 4.281 4.471 1.00 0.00 N ATOM 0 H GLN A 839 16.127 1.181 4.158 1.00 0.00 H new ATOM 0 HA GLN A 839 14.075 2.947 3.461 1.00 0.00 H new ATOM 0 HB2 GLN A 839 15.923 1.297 1.697 1.00 0.00 H new ATOM 0 HB3 GLN A 839 14.951 2.643 1.139 1.00 0.00 H new ATOM 0 HG2 GLN A 839 17.483 2.636 2.683 1.00 0.00 H new ATOM 0 HG3 GLN A 839 16.914 3.755 1.460 1.00 0.00 H new ATOM 0 HE21 GLN A 839 17.895 3.679 4.510 1.00 0.00 H new ATOM 0 HE22 GLN A 839 16.885 4.939 5.228 1.00 0.00 H new ATOM 973 N THR A 840 13.610 -0.190 2.510 1.00 0.00 N ATOM 974 CA THR A 840 12.623 -1.145 2.012 1.00 0.00 C ATOM 975 C THR A 840 11.435 -1.270 2.969 1.00 0.00 C ATOM 976 O THR A 840 10.283 -1.316 2.540 1.00 0.00 O ATOM 977 CB THR A 840 13.252 -2.534 1.782 1.00 0.00 C ATOM 978 OG1 THR A 840 14.549 -2.396 1.184 1.00 0.00 O ATOM 979 CG2 THR A 840 12.373 -3.385 0.880 1.00 0.00 C ATOM 0 H THR A 840 14.504 -0.608 2.768 1.00 0.00 H new ATOM 0 HA THR A 840 12.264 -0.761 1.057 1.00 0.00 H new ATOM 0 HB THR A 840 13.345 -3.026 2.750 1.00 0.00 H new ATOM 0 HG1 THR A 840 15.217 -2.238 1.884 1.00 0.00 H new ATOM 0 HG21 THR A 840 12.838 -4.360 0.733 1.00 0.00 H new ATOM 0 HG22 THR A 840 11.395 -3.516 1.343 1.00 0.00 H new ATOM 0 HG23 THR A 840 12.254 -2.890 -0.084 1.00 0.00 H new ATOM 987 N ALA A 841 11.715 -1.305 4.268 1.00 0.00 N ATOM 988 CA ALA A 841 10.662 -1.370 5.276 1.00 0.00 C ATOM 989 C ALA A 841 9.787 -0.121 5.215 1.00 0.00 C ATOM 990 O ALA A 841 8.591 -0.169 5.505 1.00 0.00 O ATOM 991 CB ALA A 841 11.262 -1.536 6.665 1.00 0.00 C ATOM 0 H ALA A 841 12.662 -1.289 4.647 1.00 0.00 H new ATOM 0 HA ALA A 841 10.037 -2.238 5.067 1.00 0.00 H new ATOM 0 HB1 ALA A 841 10.462 -1.583 7.404 1.00 0.00 H new ATOM 0 HB2 ALA A 841 11.844 -2.457 6.702 1.00 0.00 H new ATOM 0 HB3 ALA A 841 11.910 -0.688 6.885 1.00 0.00 H new ATOM 997 N HIS A 842 10.392 0.999 4.831 1.00 0.00 N ATOM 998 CA HIS A 842 9.652 2.244 4.653 1.00 0.00 C ATOM 999 C HIS A 842 8.735 2.146 3.438 1.00 0.00 C ATOM 1000 O HIS A 842 7.585 2.598 3.476 1.00 0.00 O ATOM 1001 CB HIS A 842 10.613 3.429 4.506 1.00 0.00 C ATOM 1002 CG HIS A 842 11.163 3.914 5.813 1.00 0.00 C ATOM 1003 ND1 HIS A 842 12.190 4.828 5.916 1.00 0.00 N ATOM 1004 CD2 HIS A 842 10.829 3.588 7.082 1.00 0.00 C ATOM 1005 CE1 HIS A 842 12.459 5.041 7.191 1.00 0.00 C ATOM 1006 NE2 HIS A 842 11.646 4.304 7.917 1.00 0.00 N ATOM 0 H HIS A 842 11.391 1.070 4.637 1.00 0.00 H new ATOM 0 HA HIS A 842 9.039 2.410 5.539 1.00 0.00 H new ATOM 0 HB2 HIS A 842 11.440 3.139 3.858 1.00 0.00 H new ATOM 0 HB3 HIS A 842 10.093 4.250 4.012 1.00 0.00 H new ATOM 0 HD2 HIS A 842 10.060 2.892 7.382 1.00 0.00 H new ATOM 0 HE1 HIS A 842 13.218 5.707 7.573 1.00 0.00 H new ATOM 0 HE2 HIS A 842 11.627 4.271 8.936 1.00 0.00 H new ATOM 1015 N ARG A 843 9.245 1.539 2.371 1.00 0.00 N ATOM 1016 CA ARG A 843 8.459 1.299 1.165 1.00 0.00 C ATOM 1017 C ARG A 843 7.226 0.475 1.497 1.00 0.00 C ATOM 1018 O ARG A 843 6.104 0.856 1.165 1.00 0.00 O ATOM 1019 CB ARG A 843 9.288 0.553 0.118 1.00 0.00 C ATOM 1020 CG ARG A 843 10.284 1.423 -0.627 1.00 0.00 C ATOM 1021 CD ARG A 843 11.627 0.725 -0.765 1.00 0.00 C ATOM 1022 NE ARG A 843 11.556 -0.467 -1.612 1.00 0.00 N ATOM 1023 CZ ARG A 843 12.564 -0.903 -2.368 1.00 0.00 C ATOM 1024 NH1 ARG A 843 13.740 -0.288 -2.333 1.00 0.00 N ATOM 1025 NH2 ARG A 843 12.402 -1.961 -3.145 1.00 0.00 N ATOM 0 H ARG A 843 10.206 1.202 2.317 1.00 0.00 H new ATOM 0 HA ARG A 843 8.158 2.266 0.762 1.00 0.00 H new ATOM 0 HB2 ARG A 843 9.827 -0.257 0.609 1.00 0.00 H new ATOM 0 HB3 ARG A 843 8.612 0.095 -0.604 1.00 0.00 H new ATOM 0 HG2 ARG A 843 9.893 1.664 -1.616 1.00 0.00 H new ATOM 0 HG3 ARG A 843 10.414 2.367 -0.097 1.00 0.00 H new ATOM 0 HD2 ARG A 843 12.353 1.422 -1.184 1.00 0.00 H new ATOM 0 HD3 ARG A 843 11.989 0.443 0.224 1.00 0.00 H new ATOM 0 HE ARG A 843 10.684 -0.995 -1.625 1.00 0.00 H new ATOM 0 HH11 ARG A 843 13.875 0.521 -1.726 1.00 0.00 H new ATOM 0 HH12 ARG A 843 14.509 -0.624 -2.913 1.00 0.00 H new ATOM 0 HH21 ARG A 843 11.504 -2.445 -3.167 1.00 0.00 H new ATOM 0 HH22 ARG A 843 13.175 -2.293 -3.723 1.00 0.00 H new ATOM 1039 N LEU A 844 7.454 -0.639 2.182 1.00 0.00 N ATOM 1040 CA LEU A 844 6.397 -1.589 2.503 1.00 0.00 C ATOM 1041 C LEU A 844 5.325 -0.959 3.385 1.00 0.00 C ATOM 1042 O LEU A 844 4.137 -1.080 3.099 1.00 0.00 O ATOM 1043 CB LEU A 844 6.983 -2.823 3.193 1.00 0.00 C ATOM 1044 CG LEU A 844 7.482 -3.932 2.259 1.00 0.00 C ATOM 1045 CD1 LEU A 844 7.577 -5.251 3.007 1.00 0.00 C ATOM 1046 CD2 LEU A 844 6.567 -4.072 1.050 1.00 0.00 C ATOM 0 H LEU A 844 8.374 -0.908 2.530 1.00 0.00 H new ATOM 0 HA LEU A 844 5.928 -1.889 1.566 1.00 0.00 H new ATOM 0 HB2 LEU A 844 7.812 -2.504 3.824 1.00 0.00 H new ATOM 0 HB3 LEU A 844 6.224 -3.243 3.853 1.00 0.00 H new ATOM 0 HG LEU A 844 8.476 -3.659 1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 844 7.933 -6.028 2.330 1.00 0.00 H new ATOM 0 HD12 LEU A 844 8.273 -5.148 3.839 1.00 0.00 H new ATOM 0 HD13 LEU A 844 6.593 -5.524 3.389 1.00 0.00 H new ATOM 0 HD21 LEU A 844 6.940 -4.864 0.401 1.00 0.00 H new ATOM 0 HD22 LEU A 844 5.559 -4.320 1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 844 6.546 -3.132 0.499 1.00 0.00 H new ATOM 1058 N LYS A 845 5.737 -0.273 4.445 1.00 0.00 N ATOM 1059 CA LYS A 845 4.774 0.358 5.341 1.00 0.00 C ATOM 1060 C LYS A 845 3.951 1.404 4.589 1.00 0.00 C ATOM 1061 O LYS A 845 2.756 1.572 4.842 1.00 0.00 O ATOM 1062 CB LYS A 845 5.479 0.970 6.563 1.00 0.00 C ATOM 1063 CG LYS A 845 6.031 2.369 6.344 1.00 0.00 C ATOM 1064 CD LYS A 845 7.266 2.627 7.196 1.00 0.00 C ATOM 1065 CE LYS A 845 7.019 2.309 8.665 1.00 0.00 C ATOM 1066 NZ LYS A 845 7.209 3.498 9.537 1.00 0.00 N ATOM 0 H LYS A 845 6.715 -0.140 4.703 1.00 0.00 H new ATOM 0 HA LYS A 845 4.090 -0.408 5.708 1.00 0.00 H new ATOM 0 HB2 LYS A 845 4.775 0.998 7.395 1.00 0.00 H new ATOM 0 HB3 LYS A 845 6.297 0.314 6.860 1.00 0.00 H new ATOM 0 HG2 LYS A 845 6.281 2.501 5.291 1.00 0.00 H new ATOM 0 HG3 LYS A 845 5.263 3.105 6.584 1.00 0.00 H new ATOM 0 HD2 LYS A 845 8.094 2.021 6.828 1.00 0.00 H new ATOM 0 HD3 LYS A 845 7.565 3.670 7.096 1.00 0.00 H new ATOM 0 HE2 LYS A 845 6.005 1.929 8.787 1.00 0.00 H new ATOM 0 HE3 LYS A 845 7.696 1.516 8.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 845 6.600 3.414 10.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 845 8.204 3.554 9.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 845 6.957 4.359 9.010 1.00 0.00 H new ATOM 1080 N GLY A 846 4.591 2.072 3.635 1.00 0.00 N ATOM 1081 CA GLY A 846 3.904 3.059 2.832 1.00 0.00 C ATOM 1082 C GLY A 846 2.914 2.439 1.868 1.00 0.00 C ATOM 1083 O GLY A 846 1.760 2.858 1.806 1.00 0.00 O ATOM 0 H GLY A 846 5.577 1.945 3.405 1.00 0.00 H new ATOM 0 HA2 GLY A 846 3.380 3.755 3.488 1.00 0.00 H new ATOM 0 HA3 GLY A 846 4.637 3.640 2.271 1.00 0.00 H new ATOM 1087 N VAL A 847 3.353 1.427 1.126 1.00 0.00 N ATOM 1088 CA VAL A 847 2.491 0.787 0.139 1.00 0.00 C ATOM 1089 C VAL A 847 1.336 0.054 0.813 1.00 0.00 C ATOM 1090 O VAL A 847 0.232 0.013 0.279 1.00 0.00 O ATOM 1091 CB VAL A 847 3.260 -0.185 -0.790 1.00 0.00 C ATOM 1092 CG1 VAL A 847 4.221 0.579 -1.688 1.00 0.00 C ATOM 1093 CG2 VAL A 847 3.997 -1.256 -0.001 1.00 0.00 C ATOM 0 H VAL A 847 4.293 1.035 1.188 1.00 0.00 H new ATOM 0 HA VAL A 847 2.095 1.590 -0.483 1.00 0.00 H new ATOM 0 HB VAL A 847 2.525 -0.690 -1.417 1.00 0.00 H new ATOM 0 HG11 VAL A 847 4.751 -0.122 -2.333 1.00 0.00 H new ATOM 0 HG12 VAL A 847 3.662 1.285 -2.302 1.00 0.00 H new ATOM 0 HG13 VAL A 847 4.939 1.122 -1.074 1.00 0.00 H new ATOM 0 HG21 VAL A 847 4.524 -1.917 -0.689 1.00 0.00 H new ATOM 0 HG22 VAL A 847 4.715 -0.784 0.670 1.00 0.00 H new ATOM 0 HG23 VAL A 847 3.281 -1.835 0.583 1.00 0.00 H new ATOM 1103 N PHE A 848 1.579 -0.500 1.997 1.00 0.00 N ATOM 1104 CA PHE A 848 0.529 -1.181 2.736 1.00 0.00 C ATOM 1105 C PHE A 848 -0.514 -0.174 3.212 1.00 0.00 C ATOM 1106 O PHE A 848 -1.715 -0.410 3.092 1.00 0.00 O ATOM 1107 CB PHE A 848 1.115 -1.958 3.919 1.00 0.00 C ATOM 1108 CG PHE A 848 1.438 -3.390 3.588 1.00 0.00 C ATOM 1109 CD1 PHE A 848 2.511 -3.702 2.767 1.00 0.00 C ATOM 1110 CD2 PHE A 848 0.667 -4.423 4.095 1.00 0.00 C ATOM 1111 CE1 PHE A 848 2.809 -5.015 2.459 1.00 0.00 C ATOM 1112 CE2 PHE A 848 0.960 -5.740 3.791 1.00 0.00 C ATOM 1113 CZ PHE A 848 2.033 -6.036 2.971 1.00 0.00 C ATOM 0 H PHE A 848 2.488 -0.490 2.460 1.00 0.00 H new ATOM 0 HA PHE A 848 0.043 -1.897 2.073 1.00 0.00 H new ATOM 0 HB2 PHE A 848 2.021 -1.458 4.260 1.00 0.00 H new ATOM 0 HB3 PHE A 848 0.407 -1.934 4.747 1.00 0.00 H new ATOM 0 HD1 PHE A 848 3.122 -2.908 2.363 1.00 0.00 H new ATOM 0 HD2 PHE A 848 -0.173 -4.197 4.735 1.00 0.00 H new ATOM 0 HE1 PHE A 848 3.648 -5.243 1.818 1.00 0.00 H new ATOM 0 HE2 PHE A 848 0.351 -6.536 4.194 1.00 0.00 H new ATOM 0 HZ PHE A 848 2.264 -7.063 2.731 1.00 0.00 H new ATOM 1123 N ALA A 849 -0.048 0.962 3.726 1.00 0.00 N ATOM 1124 CA ALA A 849 -0.942 2.045 4.119 1.00 0.00 C ATOM 1125 C ALA A 849 -1.707 2.571 2.906 1.00 0.00 C ATOM 1126 O ALA A 849 -2.871 2.962 3.010 1.00 0.00 O ATOM 1127 CB ALA A 849 -0.158 3.172 4.776 1.00 0.00 C ATOM 0 H ALA A 849 0.942 1.155 3.879 1.00 0.00 H new ATOM 0 HA ALA A 849 -1.659 1.654 4.841 1.00 0.00 H new ATOM 0 HB1 ALA A 849 -0.841 3.971 5.063 1.00 0.00 H new ATOM 0 HB2 ALA A 849 0.350 2.793 5.663 1.00 0.00 H new ATOM 0 HB3 ALA A 849 0.580 3.560 4.073 1.00 0.00 H new ATOM 1133 N MET A 850 -1.039 2.564 1.759 1.00 0.00 N ATOM 1134 CA MET A 850 -1.644 2.984 0.499 1.00 0.00 C ATOM 1135 C MET A 850 -2.780 2.045 0.104 1.00 0.00 C ATOM 1136 O MET A 850 -3.855 2.489 -0.296 1.00 0.00 O ATOM 1137 CB MET A 850 -0.579 3.022 -0.603 1.00 0.00 C ATOM 1138 CG MET A 850 -1.031 3.732 -1.867 1.00 0.00 C ATOM 1139 SD MET A 850 -1.507 5.445 -1.570 1.00 0.00 S ATOM 1140 CE MET A 850 -3.132 5.478 -2.323 1.00 0.00 C ATOM 0 H MET A 850 -0.066 2.268 1.675 1.00 0.00 H new ATOM 0 HA MET A 850 -2.059 3.983 0.629 1.00 0.00 H new ATOM 0 HB2 MET A 850 0.312 3.518 -0.218 1.00 0.00 H new ATOM 0 HB3 MET A 850 -0.292 2.001 -0.854 1.00 0.00 H new ATOM 0 HG2 MET A 850 -0.226 3.705 -2.602 1.00 0.00 H new ATOM 0 HG3 MET A 850 -1.875 3.194 -2.299 1.00 0.00 H new ATOM 0 HE1 MET A 850 -3.560 6.475 -2.221 1.00 0.00 H new ATOM 0 HE2 MET A 850 -3.048 5.225 -3.380 1.00 0.00 H new ATOM 0 HE3 MET A 850 -3.778 4.753 -1.827 1.00 0.00 H new ATOM 1150 N LEU A 851 -2.540 0.742 0.236 1.00 0.00 N ATOM 1151 CA LEU A 851 -3.559 -0.262 -0.062 1.00 0.00 C ATOM 1152 C LEU A 851 -4.612 -0.303 1.043 1.00 0.00 C ATOM 1153 O LEU A 851 -5.673 -0.906 0.877 1.00 0.00 O ATOM 1154 CB LEU A 851 -2.925 -1.647 -0.229 1.00 0.00 C ATOM 1155 CG LEU A 851 -1.740 -1.710 -1.195 1.00 0.00 C ATOM 1156 CD1 LEU A 851 -0.962 -3.003 -1.004 1.00 0.00 C ATOM 1157 CD2 LEU A 851 -2.213 -1.578 -2.634 1.00 0.00 C ATOM 0 H LEU A 851 -1.648 0.357 0.547 1.00 0.00 H new ATOM 0 HA LEU A 851 -4.041 0.017 -0.999 1.00 0.00 H new ATOM 0 HB2 LEU A 851 -2.595 -1.998 0.749 1.00 0.00 H new ATOM 0 HB3 LEU A 851 -3.692 -2.340 -0.574 1.00 0.00 H new ATOM 0 HG LEU A 851 -1.076 -0.874 -0.976 1.00 0.00 H new ATOM 0 HD11 LEU A 851 -0.123 -3.029 -1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 851 -0.587 -3.054 0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 851 -1.617 -3.853 -1.193 1.00 0.00 H new ATOM 0 HD21 LEU A 851 -1.355 -1.625 -3.305 1.00 0.00 H new ATOM 0 HD22 LEU A 851 -2.901 -2.391 -2.867 1.00 0.00 H new ATOM 0 HD23 LEU A 851 -2.723 -0.623 -2.763 1.00 0.00 H new ATOM 1169 N ASN A 852 -4.283 0.339 2.168 1.00 0.00 N ATOM 1170 CA ASN A 852 -5.181 0.474 3.322 1.00 0.00 C ATOM 1171 C ASN A 852 -5.159 -0.791 4.167 1.00 0.00 C ATOM 1172 O ASN A 852 -6.125 -1.129 4.847 1.00 0.00 O ATOM 1173 CB ASN A 852 -6.616 0.819 2.899 1.00 0.00 C ATOM 1174 CG ASN A 852 -6.941 2.292 3.072 1.00 0.00 C ATOM 1175 OD1 ASN A 852 -7.930 2.651 3.714 1.00 0.00 O ATOM 1176 ND2 ASN A 852 -6.121 3.159 2.492 1.00 0.00 N ATOM 0 H ASN A 852 -3.376 0.785 2.306 1.00 0.00 H new ATOM 0 HA ASN A 852 -4.814 1.305 3.924 1.00 0.00 H new ATOM 0 HB2 ASN A 852 -6.760 0.540 1.855 1.00 0.00 H new ATOM 0 HB3 ASN A 852 -7.316 0.225 3.487 1.00 0.00 H new ATOM 0 HD21 ASN A 852 -6.300 4.160 2.570 1.00 0.00 H new ATOM 0 HD22 ASN A 852 -5.312 2.824 1.969 1.00 0.00 H new ATOM 1183 N LEU A 853 -4.028 -1.477 4.126 1.00 0.00 N ATOM 1184 CA LEU A 853 -3.822 -2.670 4.922 1.00 0.00 C ATOM 1185 C LEU A 853 -3.275 -2.284 6.291 1.00 0.00 C ATOM 1186 O LEU A 853 -2.065 -2.322 6.517 1.00 0.00 O ATOM 1187 CB LEU A 853 -2.851 -3.616 4.215 1.00 0.00 C ATOM 1188 CG LEU A 853 -3.463 -4.924 3.707 1.00 0.00 C ATOM 1189 CD1 LEU A 853 -2.889 -5.288 2.346 1.00 0.00 C ATOM 1190 CD2 LEU A 853 -3.219 -6.044 4.707 1.00 0.00 C ATOM 0 H LEU A 853 -3.232 -1.222 3.542 1.00 0.00 H new ATOM 0 HA LEU A 853 -4.776 -3.183 5.049 1.00 0.00 H new ATOM 0 HB2 LEU A 853 -2.408 -3.090 3.370 1.00 0.00 H new ATOM 0 HB3 LEU A 853 -2.040 -3.857 4.902 1.00 0.00 H new ATOM 0 HG LEU A 853 -4.539 -4.785 3.598 1.00 0.00 H new ATOM 0 HD11 LEU A 853 -3.335 -6.220 2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 853 -3.111 -4.494 1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 853 -1.809 -5.411 2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 853 -3.660 -6.968 4.333 1.00 0.00 H new ATOM 0 HD22 LEU A 853 -2.147 -6.183 4.844 1.00 0.00 H new ATOM 0 HD23 LEU A 853 -3.676 -5.785 5.662 1.00 0.00 H new ATOM 1202 N VAL A 854 -4.176 -1.900 7.187 1.00 0.00 N ATOM 1203 CA VAL A 854 -3.803 -1.424 8.523 1.00 0.00 C ATOM 1204 C VAL A 854 -2.908 -2.425 9.273 1.00 0.00 C ATOM 1205 O VAL A 854 -1.793 -2.072 9.667 1.00 0.00 O ATOM 1206 CB VAL A 854 -5.043 -1.089 9.389 1.00 0.00 C ATOM 1207 CG1 VAL A 854 -4.718 0.016 10.382 1.00 0.00 C ATOM 1208 CG2 VAL A 854 -6.227 -0.688 8.518 1.00 0.00 C ATOM 0 H VAL A 854 -5.181 -1.908 7.014 1.00 0.00 H new ATOM 0 HA VAL A 854 -3.233 -0.509 8.360 1.00 0.00 H new ATOM 0 HB VAL A 854 -5.318 -1.986 9.943 1.00 0.00 H new ATOM 0 HG11 VAL A 854 -5.601 0.238 10.981 1.00 0.00 H new ATOM 0 HG12 VAL A 854 -3.908 -0.309 11.035 1.00 0.00 H new ATOM 0 HG13 VAL A 854 -4.412 0.912 9.842 1.00 0.00 H new ATOM 0 HG21 VAL A 854 -7.084 -0.458 9.152 1.00 0.00 H new ATOM 0 HG22 VAL A 854 -5.965 0.191 7.930 1.00 0.00 H new ATOM 0 HG23 VAL A 854 -6.481 -1.510 7.849 1.00 0.00 H new ATOM 1218 N PRO A 855 -3.357 -3.688 9.472 1.00 0.00 N ATOM 1219 CA PRO A 855 -2.554 -4.705 10.164 1.00 0.00 C ATOM 1220 C PRO A 855 -1.221 -4.956 9.463 1.00 0.00 C ATOM 1221 O PRO A 855 -0.202 -5.200 10.108 1.00 0.00 O ATOM 1222 CB PRO A 855 -3.430 -5.964 10.120 1.00 0.00 C ATOM 1223 CG PRO A 855 -4.435 -5.704 9.052 1.00 0.00 C ATOM 1224 CD PRO A 855 -4.667 -4.223 9.063 1.00 0.00 C ATOM 0 HA PRO A 855 -2.296 -4.396 11.177 1.00 0.00 H new ATOM 0 HB2 PRO A 855 -2.836 -6.849 9.894 1.00 0.00 H new ATOM 0 HB3 PRO A 855 -3.913 -6.141 11.081 1.00 0.00 H new ATOM 0 HG2 PRO A 855 -4.068 -6.035 8.081 1.00 0.00 H new ATOM 0 HG3 PRO A 855 -5.360 -6.246 9.245 1.00 0.00 H new ATOM 0 HD2 PRO A 855 -4.966 -3.854 8.082 1.00 0.00 H new ATOM 0 HD3 PRO A 855 -5.454 -3.943 9.763 1.00 0.00 H new ATOM 1232 N GLY A 856 -1.233 -4.876 8.139 1.00 0.00 N ATOM 1233 CA GLY A 856 -0.017 -5.063 7.376 1.00 0.00 C ATOM 1234 C GLY A 856 0.984 -3.956 7.631 1.00 0.00 C ATOM 1235 O GLY A 856 2.175 -4.213 7.815 1.00 0.00 O ATOM 0 H GLY A 856 -2.065 -4.685 7.580 1.00 0.00 H new ATOM 0 HA2 GLY A 856 0.430 -6.023 7.634 1.00 0.00 H new ATOM 0 HA3 GLY A 856 -0.257 -5.098 6.313 1.00 0.00 H new ATOM 1239 N LYS A 857 0.497 -2.721 7.649 1.00 0.00 N ATOM 1240 CA LYS A 857 1.341 -1.573 7.935 1.00 0.00 C ATOM 1241 C LYS A 857 1.893 -1.668 9.354 1.00 0.00 C ATOM 1242 O LYS A 857 3.061 -1.369 9.586 1.00 0.00 O ATOM 1243 CB LYS A 857 0.562 -0.265 7.726 1.00 0.00 C ATOM 1244 CG LYS A 857 0.704 0.736 8.861 1.00 0.00 C ATOM 1245 CD LYS A 857 1.118 2.105 8.352 1.00 0.00 C ATOM 1246 CE LYS A 857 0.408 3.217 9.104 1.00 0.00 C ATOM 1247 NZ LYS A 857 1.154 3.640 10.318 1.00 0.00 N ATOM 0 H LYS A 857 -0.480 -2.491 7.468 1.00 0.00 H new ATOM 0 HA LYS A 857 2.183 -1.572 7.242 1.00 0.00 H new ATOM 0 HB2 LYS A 857 0.900 0.202 6.801 1.00 0.00 H new ATOM 0 HB3 LYS A 857 -0.494 -0.502 7.596 1.00 0.00 H new ATOM 0 HG2 LYS A 857 -0.242 0.817 9.396 1.00 0.00 H new ATOM 0 HG3 LYS A 857 1.444 0.374 9.575 1.00 0.00 H new ATOM 0 HD2 LYS A 857 2.196 2.223 8.459 1.00 0.00 H new ATOM 0 HD3 LYS A 857 0.893 2.182 7.288 1.00 0.00 H new ATOM 0 HE2 LYS A 857 0.277 4.074 8.443 1.00 0.00 H new ATOM 0 HE3 LYS A 857 -0.588 2.881 9.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 857 0.700 3.237 11.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 857 2.136 3.302 10.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 857 1.149 4.678 10.384 1.00 0.00 H new ATOM 1261 N GLN A 858 1.053 -2.107 10.289 1.00 0.00 N ATOM 1262 CA GLN A 858 1.460 -2.305 11.662 1.00 0.00 C ATOM 1263 C GLN A 858 2.650 -3.256 11.744 1.00 0.00 C ATOM 1264 O GLN A 858 3.618 -2.994 12.459 1.00 0.00 O ATOM 1265 CB GLN A 858 0.280 -2.861 12.450 1.00 0.00 C ATOM 1266 CG GLN A 858 0.185 -2.319 13.854 1.00 0.00 C ATOM 1267 CD GLN A 858 0.003 -0.815 13.897 1.00 0.00 C ATOM 1268 OE1 GLN A 858 0.893 -0.057 13.512 1.00 0.00 O ATOM 1269 NE2 GLN A 858 -1.145 -0.368 14.377 1.00 0.00 N ATOM 0 H GLN A 858 0.075 -2.333 10.108 1.00 0.00 H new ATOM 0 HA GLN A 858 1.769 -1.350 12.087 1.00 0.00 H new ATOM 0 HB2 GLN A 858 -0.643 -2.632 11.917 1.00 0.00 H new ATOM 0 HB3 GLN A 858 0.362 -3.947 12.493 1.00 0.00 H new ATOM 0 HG2 GLN A 858 -0.651 -2.795 14.366 1.00 0.00 H new ATOM 0 HG3 GLN A 858 1.088 -2.586 14.403 1.00 0.00 H new ATOM 0 HE21 GLN A 858 -1.859 -1.027 14.687 1.00 0.00 H new ATOM 0 HE22 GLN A 858 -1.316 0.636 14.438 1.00 0.00 H new ATOM 1278 N LEU A 859 2.575 -4.347 10.988 1.00 0.00 N ATOM 1279 CA LEU A 859 3.662 -5.316 10.918 1.00 0.00 C ATOM 1280 C LEU A 859 4.929 -4.666 10.369 1.00 0.00 C ATOM 1281 O LEU A 859 6.028 -4.905 10.868 1.00 0.00 O ATOM 1282 CB LEU A 859 3.263 -6.503 10.037 1.00 0.00 C ATOM 1283 CG LEU A 859 2.417 -7.570 10.728 1.00 0.00 C ATOM 1284 CD1 LEU A 859 1.423 -8.170 9.753 1.00 0.00 C ATOM 1285 CD2 LEU A 859 3.308 -8.653 11.313 1.00 0.00 C ATOM 0 H LEU A 859 1.767 -4.583 10.412 1.00 0.00 H new ATOM 0 HA LEU A 859 3.862 -5.675 11.928 1.00 0.00 H new ATOM 0 HB2 LEU A 859 2.711 -6.126 9.176 1.00 0.00 H new ATOM 0 HB3 LEU A 859 4.170 -6.972 9.655 1.00 0.00 H new ATOM 0 HG LEU A 859 1.862 -7.101 11.541 1.00 0.00 H new ATOM 0 HD11 LEU A 859 0.828 -8.929 10.261 1.00 0.00 H new ATOM 0 HD12 LEU A 859 0.766 -7.387 9.375 1.00 0.00 H new ATOM 0 HD13 LEU A 859 1.959 -8.627 8.921 1.00 0.00 H new ATOM 0 HD21 LEU A 859 2.691 -9.407 11.802 1.00 0.00 H new ATOM 0 HD22 LEU A 859 3.886 -9.119 10.515 1.00 0.00 H new ATOM 0 HD23 LEU A 859 3.987 -8.211 12.042 1.00 0.00 H new ATOM 1297 N CYS A 860 4.764 -3.831 9.351 1.00 0.00 N ATOM 1298 CA CYS A 860 5.890 -3.141 8.736 1.00 0.00 C ATOM 1299 C CYS A 860 6.506 -2.123 9.700 1.00 0.00 C ATOM 1300 O CYS A 860 7.711 -1.871 9.658 1.00 0.00 O ATOM 1301 CB CYS A 860 5.448 -2.452 7.446 1.00 0.00 C ATOM 1302 SG CYS A 860 4.616 -3.546 6.268 1.00 0.00 S ATOM 0 H CYS A 860 3.859 -3.615 8.933 1.00 0.00 H new ATOM 0 HA CYS A 860 6.652 -3.883 8.497 1.00 0.00 H new ATOM 0 HB2 CYS A 860 4.777 -1.630 7.698 1.00 0.00 H new ATOM 0 HB3 CYS A 860 6.322 -2.014 6.963 1.00 0.00 H new ATOM 0 HG CYS A 860 3.464 -3.908 6.751 1.00 0.00 H new ATOM 1308 N GLU A 861 5.678 -1.546 10.569 1.00 0.00 N ATOM 1309 CA GLU A 861 6.157 -0.595 11.568 1.00 0.00 C ATOM 1310 C GLU A 861 7.065 -1.300 12.571 1.00 0.00 C ATOM 1311 O GLU A 861 8.154 -0.817 12.887 1.00 0.00 O ATOM 1312 CB GLU A 861 4.984 0.069 12.299 1.00 0.00 C ATOM 1313 CG GLU A 861 4.080 0.897 11.396 1.00 0.00 C ATOM 1314 CD GLU A 861 4.551 2.328 11.227 1.00 0.00 C ATOM 1315 OE1 GLU A 861 5.718 2.625 11.560 1.00 0.00 O ATOM 1316 OE2 GLU A 861 3.757 3.166 10.750 1.00 0.00 O ATOM 0 H GLU A 861 4.674 -1.721 10.601 1.00 0.00 H new ATOM 0 HA GLU A 861 6.725 0.181 11.055 1.00 0.00 H new ATOM 0 HB2 GLU A 861 4.387 -0.704 12.783 1.00 0.00 H new ATOM 0 HB3 GLU A 861 5.377 0.710 13.088 1.00 0.00 H new ATOM 0 HG2 GLU A 861 4.023 0.422 10.416 1.00 0.00 H new ATOM 0 HG3 GLU A 861 3.071 0.900 11.808 1.00 0.00 H new ATOM 1323 N THR A 862 6.624 -2.458 13.056 1.00 0.00 N ATOM 1324 CA THR A 862 7.432 -3.244 13.976 1.00 0.00 C ATOM 1325 C THR A 862 8.686 -3.755 13.280 1.00 0.00 C ATOM 1326 O THR A 862 9.757 -3.825 13.881 1.00 0.00 O ATOM 1327 CB THR A 862 6.650 -4.436 14.542 1.00 0.00 C ATOM 1328 OG1 THR A 862 5.258 -4.287 14.248 1.00 0.00 O ATOM 1329 CG2 THR A 862 6.847 -4.547 16.044 1.00 0.00 C ATOM 0 H THR A 862 5.718 -2.868 12.828 1.00 0.00 H new ATOM 0 HA THR A 862 7.709 -2.588 14.801 1.00 0.00 H new ATOM 0 HB THR A 862 7.026 -5.346 14.075 1.00 0.00 H new ATOM 0 HG1 THR A 862 4.763 -5.052 14.610 1.00 0.00 H new ATOM 0 HG21 THR A 862 6.283 -5.399 16.423 1.00 0.00 H new ATOM 0 HG22 THR A 862 7.906 -4.686 16.263 1.00 0.00 H new ATOM 0 HG23 THR A 862 6.494 -3.635 16.526 1.00 0.00 H new ATOM 1337 N LEU A 863 8.547 -4.106 12.005 1.00 0.00 N ATOM 1338 CA LEU A 863 9.687 -4.519 11.200 1.00 0.00 C ATOM 1339 C LEU A 863 10.711 -3.395 11.134 1.00 0.00 C ATOM 1340 O LEU A 863 11.898 -3.620 11.337 1.00 0.00 O ATOM 1341 CB LEU A 863 9.244 -4.910 9.786 1.00 0.00 C ATOM 1342 CG LEU A 863 9.808 -6.233 9.253 1.00 0.00 C ATOM 1343 CD1 LEU A 863 9.927 -6.183 7.739 1.00 0.00 C ATOM 1344 CD2 LEU A 863 11.161 -6.548 9.875 1.00 0.00 C ATOM 0 H LEU A 863 7.656 -4.112 11.509 1.00 0.00 H new ATOM 0 HA LEU A 863 10.141 -5.391 11.670 1.00 0.00 H new ATOM 0 HB2 LEU A 863 8.156 -4.968 9.769 1.00 0.00 H new ATOM 0 HB3 LEU A 863 9.532 -4.112 9.102 1.00 0.00 H new ATOM 0 HG LEU A 863 9.116 -7.028 9.530 1.00 0.00 H new ATOM 0 HD11 LEU A 863 10.329 -7.128 7.374 1.00 0.00 H new ATOM 0 HD12 LEU A 863 8.943 -6.014 7.302 1.00 0.00 H new ATOM 0 HD13 LEU A 863 10.595 -5.371 7.453 1.00 0.00 H new ATOM 0 HD21 LEU A 863 11.534 -7.492 9.477 1.00 0.00 H new ATOM 0 HD22 LEU A 863 11.865 -5.751 9.638 1.00 0.00 H new ATOM 0 HD23 LEU A 863 11.054 -6.628 10.957 1.00 0.00 H new ATOM 1356 N GLU A 864 10.236 -2.184 10.865 1.00 0.00 N ATOM 1357 CA GLU A 864 11.096 -1.007 10.842 1.00 0.00 C ATOM 1358 C GLU A 864 11.823 -0.859 12.174 1.00 0.00 C ATOM 1359 O GLU A 864 13.024 -0.594 12.216 1.00 0.00 O ATOM 1360 CB GLU A 864 10.266 0.243 10.563 1.00 0.00 C ATOM 1361 CG GLU A 864 11.041 1.341 9.866 1.00 0.00 C ATOM 1362 CD GLU A 864 10.706 2.720 10.392 1.00 0.00 C ATOM 1363 OE1 GLU A 864 9.526 2.966 10.711 1.00 0.00 O ATOM 1364 OE2 GLU A 864 11.618 3.572 10.454 1.00 0.00 O ATOM 0 H GLU A 864 9.256 -1.992 10.659 1.00 0.00 H new ATOM 0 HA GLU A 864 11.833 -1.129 10.049 1.00 0.00 H new ATOM 0 HB2 GLU A 864 9.408 -0.030 9.949 1.00 0.00 H new ATOM 0 HB3 GLU A 864 9.875 0.627 11.505 1.00 0.00 H new ATOM 0 HG2 GLU A 864 12.109 1.160 9.989 1.00 0.00 H new ATOM 0 HG3 GLU A 864 10.832 1.304 8.797 1.00 0.00 H new ATOM 1371 N HIS A 865 11.083 -1.050 13.255 1.00 0.00 N ATOM 1372 CA HIS A 865 11.641 -1.013 14.602 1.00 0.00 C ATOM 1373 C HIS A 865 12.729 -2.076 14.762 1.00 0.00 C ATOM 1374 O HIS A 865 13.768 -1.825 15.363 1.00 0.00 O ATOM 1375 CB HIS A 865 10.517 -1.252 15.622 1.00 0.00 C ATOM 1376 CG HIS A 865 10.823 -0.809 17.021 1.00 0.00 C ATOM 1377 ND1 HIS A 865 9.843 -0.452 17.918 1.00 0.00 N ATOM 1378 CD2 HIS A 865 11.996 -0.673 17.681 1.00 0.00 C ATOM 1379 CE1 HIS A 865 10.396 -0.119 19.067 1.00 0.00 C ATOM 1380 NE2 HIS A 865 11.704 -0.243 18.953 1.00 0.00 N ATOM 0 H HIS A 865 10.080 -1.235 13.226 1.00 0.00 H new ATOM 0 HA HIS A 865 12.091 -0.035 14.775 1.00 0.00 H new ATOM 0 HB2 HIS A 865 9.621 -0.733 15.281 1.00 0.00 H new ATOM 0 HB3 HIS A 865 10.282 -2.316 15.638 1.00 0.00 H new ATOM 0 HD2 HIS A 865 12.981 -0.867 17.282 1.00 0.00 H new ATOM 0 HE1 HIS A 865 9.867 0.201 19.953 1.00 0.00 H new ATOM 0 HE2 HIS A 865 12.386 -0.052 19.687 1.00 0.00 H new ATOM 1389 N LEU A 866 12.493 -3.254 14.214 1.00 0.00 N ATOM 1390 CA LEU A 866 13.455 -4.340 14.318 1.00 0.00 C ATOM 1391 C LEU A 866 14.687 -4.062 13.461 1.00 0.00 C ATOM 1392 O LEU A 866 15.808 -4.372 13.863 1.00 0.00 O ATOM 1393 CB LEU A 866 12.813 -5.668 13.918 1.00 0.00 C ATOM 1394 CG LEU A 866 11.737 -6.171 14.881 1.00 0.00 C ATOM 1395 CD1 LEU A 866 10.752 -7.074 14.159 1.00 0.00 C ATOM 1396 CD2 LEU A 866 12.374 -6.901 16.051 1.00 0.00 C ATOM 0 H LEU A 866 11.647 -3.485 13.693 1.00 0.00 H new ATOM 0 HA LEU A 866 13.774 -4.410 15.358 1.00 0.00 H new ATOM 0 HB2 LEU A 866 12.373 -5.560 12.927 1.00 0.00 H new ATOM 0 HB3 LEU A 866 13.594 -6.425 13.839 1.00 0.00 H new ATOM 0 HG LEU A 866 11.190 -5.311 15.267 1.00 0.00 H new ATOM 0 HD11 LEU A 866 9.994 -7.421 14.862 1.00 0.00 H new ATOM 0 HD12 LEU A 866 10.272 -6.518 13.353 1.00 0.00 H new ATOM 0 HD13 LEU A 866 11.282 -7.931 13.743 1.00 0.00 H new ATOM 0 HD21 LEU A 866 11.595 -7.253 16.728 1.00 0.00 H new ATOM 0 HD22 LEU A 866 12.945 -7.752 15.681 1.00 0.00 H new ATOM 0 HD23 LEU A 866 13.039 -6.222 16.585 1.00 0.00 H new ATOM 1408 N ILE A 867 14.479 -3.472 12.287 1.00 0.00 N ATOM 1409 CA ILE A 867 15.587 -3.069 11.428 1.00 0.00 C ATOM 1410 C ILE A 867 16.407 -1.983 12.116 1.00 0.00 C ATOM 1411 O ILE A 867 17.637 -2.030 12.141 1.00 0.00 O ATOM 1412 CB ILE A 867 15.103 -2.520 10.066 1.00 0.00 C ATOM 1413 CG1 ILE A 867 14.141 -3.498 9.382 1.00 0.00 C ATOM 1414 CG2 ILE A 867 16.291 -2.215 9.161 1.00 0.00 C ATOM 1415 CD1 ILE A 867 14.818 -4.701 8.759 1.00 0.00 C ATOM 0 H ILE A 867 13.555 -3.263 11.910 1.00 0.00 H new ATOM 0 HA ILE A 867 16.189 -3.960 11.249 1.00 0.00 H new ATOM 0 HB ILE A 867 14.560 -1.593 10.252 1.00 0.00 H new ATOM 0 HG12 ILE A 867 13.411 -3.844 10.114 1.00 0.00 H new ATOM 0 HG13 ILE A 867 13.588 -2.965 8.608 1.00 0.00 H new ATOM 0 HG21 ILE A 867 15.932 -1.830 8.207 1.00 0.00 H new ATOM 0 HG22 ILE A 867 16.929 -1.470 9.636 1.00 0.00 H new ATOM 0 HG23 ILE A 867 16.863 -3.127 8.992 1.00 0.00 H new ATOM 0 HD11 ILE A 867 14.067 -5.342 8.297 1.00 0.00 H new ATOM 0 HD12 ILE A 867 15.527 -4.368 8.001 1.00 0.00 H new ATOM 0 HD13 ILE A 867 15.348 -5.260 9.530 1.00 0.00 H new ATOM 1427 N ARG A 868 15.697 -1.014 12.682 1.00 0.00 N ATOM 1428 CA ARG A 868 16.315 0.126 13.338 1.00 0.00 C ATOM 1429 C ARG A 868 17.103 -0.310 14.576 1.00 0.00 C ATOM 1430 O ARG A 868 18.120 0.291 14.917 1.00 0.00 O ATOM 1431 CB ARG A 868 15.231 1.152 13.710 1.00 0.00 C ATOM 1432 CG ARG A 868 14.677 1.000 15.109 1.00 0.00 C ATOM 1433 CD ARG A 868 15.297 1.996 16.064 1.00 0.00 C ATOM 1434 NE ARG A 868 15.530 3.294 15.432 1.00 0.00 N ATOM 1435 CZ ARG A 868 16.743 3.806 15.204 1.00 0.00 C ATOM 1436 NH1 ARG A 868 17.833 3.149 15.595 1.00 0.00 N ATOM 1437 NH2 ARG A 868 16.862 4.973 14.583 1.00 0.00 N ATOM 0 H ARG A 868 14.677 -0.999 12.698 1.00 0.00 H new ATOM 0 HA ARG A 868 17.022 0.588 12.649 1.00 0.00 H new ATOM 0 HB2 ARG A 868 15.646 2.154 13.604 1.00 0.00 H new ATOM 0 HB3 ARG A 868 14.411 1.070 12.997 1.00 0.00 H new ATOM 0 HG2 ARG A 868 13.596 1.138 15.090 1.00 0.00 H new ATOM 0 HG3 ARG A 868 14.863 -0.013 15.467 1.00 0.00 H new ATOM 0 HD2 ARG A 868 14.643 2.126 16.926 1.00 0.00 H new ATOM 0 HD3 ARG A 868 16.242 1.600 16.437 1.00 0.00 H new ATOM 0 HE ARG A 868 14.718 3.842 15.148 1.00 0.00 H new ATOM 0 HH11 ARG A 868 17.744 2.251 16.071 1.00 0.00 H new ATOM 0 HH12 ARG A 868 18.757 3.544 15.419 1.00 0.00 H new ATOM 0 HH21 ARG A 868 16.028 5.477 14.281 1.00 0.00 H new ATOM 0 HH22 ARG A 868 17.787 5.366 14.408 1.00 0.00 H new ATOM 1451 N GLU A 869 16.629 -1.357 15.241 1.00 0.00 N ATOM 1452 CA GLU A 869 17.261 -1.841 16.461 1.00 0.00 C ATOM 1453 C GLU A 869 18.224 -2.984 16.154 1.00 0.00 C ATOM 1454 O GLU A 869 18.892 -3.502 17.049 1.00 0.00 O ATOM 1455 CB GLU A 869 16.192 -2.288 17.461 1.00 0.00 C ATOM 1456 CG GLU A 869 15.338 -1.151 17.988 1.00 0.00 C ATOM 1457 CD GLU A 869 15.983 -0.384 19.126 1.00 0.00 C ATOM 1458 OE1 GLU A 869 17.172 -0.617 19.417 1.00 0.00 O ATOM 1459 OE2 GLU A 869 15.288 0.451 19.746 1.00 0.00 O ATOM 0 H GLU A 869 15.807 -1.888 14.954 1.00 0.00 H new ATOM 0 HA GLU A 869 17.836 -1.027 16.903 1.00 0.00 H new ATOM 0 HB2 GLU A 869 15.546 -3.025 16.984 1.00 0.00 H new ATOM 0 HB3 GLU A 869 16.678 -2.786 18.301 1.00 0.00 H new ATOM 0 HG2 GLU A 869 15.123 -0.461 17.172 1.00 0.00 H new ATOM 0 HG3 GLU A 869 14.383 -1.552 18.327 1.00 0.00 H new ATOM 1466 N LYS A 870 18.278 -3.369 14.878 1.00 0.00 N ATOM 1467 CA LYS A 870 19.221 -4.378 14.391 1.00 0.00 C ATOM 1468 C LYS A 870 18.989 -5.747 15.030 1.00 0.00 C ATOM 1469 O LYS A 870 19.938 -6.462 15.358 1.00 0.00 O ATOM 1470 CB LYS A 870 20.661 -3.922 14.633 1.00 0.00 C ATOM 1471 CG LYS A 870 21.011 -2.627 13.925 1.00 0.00 C ATOM 1472 CD LYS A 870 21.380 -2.874 12.475 1.00 0.00 C ATOM 1473 CE LYS A 870 22.789 -2.398 12.170 1.00 0.00 C ATOM 1474 NZ LYS A 870 23.824 -3.271 12.785 1.00 0.00 N ATOM 0 H LYS A 870 17.669 -2.990 14.153 1.00 0.00 H new ATOM 0 HA LYS A 870 19.049 -4.486 13.320 1.00 0.00 H new ATOM 0 HB2 LYS A 870 20.819 -3.796 15.704 1.00 0.00 H new ATOM 0 HB3 LYS A 870 21.343 -4.705 14.300 1.00 0.00 H new ATOM 0 HG2 LYS A 870 20.164 -1.942 13.975 1.00 0.00 H new ATOM 0 HG3 LYS A 870 21.843 -2.144 14.437 1.00 0.00 H new ATOM 0 HD2 LYS A 870 21.299 -3.938 12.254 1.00 0.00 H new ATOM 0 HD3 LYS A 870 20.672 -2.359 11.826 1.00 0.00 H new ATOM 0 HE2 LYS A 870 22.935 -2.370 11.090 1.00 0.00 H new ATOM 0 HE3 LYS A 870 22.913 -1.378 12.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 870 24.769 -2.907 12.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 870 23.703 -3.278 13.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 870 23.724 -4.239 12.418 1.00 0.00 H new ATOM 1488 N ASP A 871 17.729 -6.117 15.189 1.00 0.00 N ATOM 1489 CA ASP A 871 17.392 -7.428 15.729 1.00 0.00 C ATOM 1490 C ASP A 871 17.166 -8.418 14.600 1.00 0.00 C ATOM 1491 O ASP A 871 16.043 -8.590 14.126 1.00 0.00 O ATOM 1492 CB ASP A 871 16.157 -7.357 16.621 1.00 0.00 C ATOM 1493 CG ASP A 871 15.986 -8.615 17.445 1.00 0.00 C ATOM 1494 OD1 ASP A 871 16.732 -8.787 18.433 1.00 0.00 O ATOM 1495 OD2 ASP A 871 15.109 -9.437 17.114 1.00 0.00 O ATOM 0 H ASP A 871 16.926 -5.534 14.954 1.00 0.00 H new ATOM 0 HA ASP A 871 18.230 -7.767 16.338 1.00 0.00 H new ATOM 0 HB2 ASP A 871 16.237 -6.496 17.285 1.00 0.00 H new ATOM 0 HB3 ASP A 871 15.271 -7.203 16.004 1.00 0.00 H new ATOM 1500 N VAL A 872 18.248 -9.060 14.173 1.00 0.00 N ATOM 1501 CA VAL A 872 18.222 -9.980 13.033 1.00 0.00 C ATOM 1502 C VAL A 872 17.107 -11.035 13.131 1.00 0.00 C ATOM 1503 O VAL A 872 16.328 -11.187 12.185 1.00 0.00 O ATOM 1504 CB VAL A 872 19.583 -10.684 12.839 1.00 0.00 C ATOM 1505 CG1 VAL A 872 19.621 -11.427 11.510 1.00 0.00 C ATOM 1506 CG2 VAL A 872 20.718 -9.676 12.914 1.00 0.00 C ATOM 0 H VAL A 872 19.167 -8.960 14.604 1.00 0.00 H new ATOM 0 HA VAL A 872 18.011 -9.357 12.164 1.00 0.00 H new ATOM 0 HB VAL A 872 19.709 -11.410 13.642 1.00 0.00 H new ATOM 0 HG11 VAL A 872 20.588 -11.916 11.394 1.00 0.00 H new ATOM 0 HG12 VAL A 872 18.831 -12.177 11.490 1.00 0.00 H new ATOM 0 HG13 VAL A 872 19.471 -10.720 10.694 1.00 0.00 H new ATOM 0 HG21 VAL A 872 21.670 -10.189 12.775 1.00 0.00 H new ATOM 0 HG22 VAL A 872 20.592 -8.927 12.132 1.00 0.00 H new ATOM 0 HG23 VAL A 872 20.707 -9.188 13.889 1.00 0.00 H new ATOM 1516 N PRO A 873 17.004 -11.784 14.254 1.00 0.00 N ATOM 1517 CA PRO A 873 15.955 -12.797 14.427 1.00 0.00 C ATOM 1518 C PRO A 873 14.554 -12.228 14.212 1.00 0.00 C ATOM 1519 O PRO A 873 13.734 -12.823 13.507 1.00 0.00 O ATOM 1520 CB PRO A 873 16.123 -13.272 15.879 1.00 0.00 C ATOM 1521 CG PRO A 873 17.034 -12.282 16.522 1.00 0.00 C ATOM 1522 CD PRO A 873 17.892 -11.729 15.424 1.00 0.00 C ATOM 0 HA PRO A 873 16.055 -13.599 13.696 1.00 0.00 H new ATOM 0 HB2 PRO A 873 15.162 -13.311 16.392 1.00 0.00 H new ATOM 0 HB3 PRO A 873 16.546 -14.276 15.917 1.00 0.00 H new ATOM 0 HG2 PRO A 873 16.466 -11.489 17.009 1.00 0.00 H new ATOM 0 HG3 PRO A 873 17.644 -12.756 17.291 1.00 0.00 H new ATOM 0 HD2 PRO A 873 18.215 -10.710 15.638 1.00 0.00 H new ATOM 0 HD3 PRO A 873 18.793 -12.325 15.276 1.00 0.00 H new ATOM 1530 N GLY A 874 14.292 -11.065 14.800 1.00 0.00 N ATOM 1531 CA GLY A 874 13.005 -10.424 14.633 1.00 0.00 C ATOM 1532 C GLY A 874 12.793 -9.934 13.217 1.00 0.00 C ATOM 1533 O GLY A 874 11.691 -10.041 12.676 1.00 0.00 O ATOM 0 H GLY A 874 14.951 -10.556 15.390 1.00 0.00 H new ATOM 0 HA2 GLY A 874 12.214 -11.126 14.895 1.00 0.00 H new ATOM 0 HA3 GLY A 874 12.927 -9.584 15.323 1.00 0.00 H new ATOM 1537 N ILE A 875 13.858 -9.409 12.618 1.00 0.00 N ATOM 1538 CA ILE A 875 13.816 -8.919 11.248 1.00 0.00 C ATOM 1539 C ILE A 875 13.346 -10.016 10.293 1.00 0.00 C ATOM 1540 O ILE A 875 12.317 -9.871 9.632 1.00 0.00 O ATOM 1541 CB ILE A 875 15.200 -8.390 10.796 1.00 0.00 C ATOM 1542 CG1 ILE A 875 15.509 -7.052 11.471 1.00 0.00 C ATOM 1543 CG2 ILE A 875 15.260 -8.239 9.284 1.00 0.00 C ATOM 1544 CD1 ILE A 875 16.965 -6.646 11.381 1.00 0.00 C ATOM 0 H ILE A 875 14.769 -9.312 13.067 1.00 0.00 H new ATOM 0 HA ILE A 875 13.104 -8.094 11.220 1.00 0.00 H new ATOM 0 HB ILE A 875 15.952 -9.119 11.097 1.00 0.00 H new ATOM 0 HG12 ILE A 875 14.896 -6.275 11.015 1.00 0.00 H new ATOM 0 HG13 ILE A 875 15.221 -7.110 12.521 1.00 0.00 H new ATOM 0 HG21 ILE A 875 16.242 -7.866 8.994 1.00 0.00 H new ATOM 0 HG22 ILE A 875 15.086 -9.207 8.814 1.00 0.00 H new ATOM 0 HG23 ILE A 875 14.494 -7.535 8.958 1.00 0.00 H new ATOM 0 HD11 ILE A 875 17.107 -5.688 11.881 1.00 0.00 H new ATOM 0 HD12 ILE A 875 17.584 -7.403 11.863 1.00 0.00 H new ATOM 0 HD13 ILE A 875 17.253 -6.555 10.334 1.00 0.00 H new ATOM 1556 N GLU A 876 14.083 -11.124 10.248 1.00 0.00 N ATOM 1557 CA GLU A 876 13.763 -12.208 9.328 1.00 0.00 C ATOM 1558 C GLU A 876 12.406 -12.821 9.660 1.00 0.00 C ATOM 1559 O GLU A 876 11.651 -13.195 8.760 1.00 0.00 O ATOM 1560 CB GLU A 876 14.858 -13.279 9.335 1.00 0.00 C ATOM 1561 CG GLU A 876 14.986 -14.034 10.646 1.00 0.00 C ATOM 1562 CD GLU A 876 14.517 -15.474 10.542 1.00 0.00 C ATOM 1563 OE1 GLU A 876 13.909 -15.838 9.512 1.00 0.00 O ATOM 1564 OE2 GLU A 876 14.758 -16.250 11.491 1.00 0.00 O ATOM 0 H GLU A 876 14.900 -11.292 10.835 1.00 0.00 H new ATOM 0 HA GLU A 876 13.710 -11.788 8.324 1.00 0.00 H new ATOM 0 HB2 GLU A 876 14.657 -13.993 8.536 1.00 0.00 H new ATOM 0 HB3 GLU A 876 15.813 -12.807 9.107 1.00 0.00 H new ATOM 0 HG2 GLU A 876 16.027 -14.018 10.970 1.00 0.00 H new ATOM 0 HG3 GLU A 876 14.406 -13.522 11.413 1.00 0.00 H new ATOM 1571 N LYS A 877 12.090 -12.905 10.950 1.00 0.00 N ATOM 1572 CA LYS A 877 10.816 -13.457 11.387 1.00 0.00 C ATOM 1573 C LYS A 877 9.655 -12.626 10.849 1.00 0.00 C ATOM 1574 O LYS A 877 8.708 -13.163 10.275 1.00 0.00 O ATOM 1575 CB LYS A 877 10.749 -13.506 12.916 1.00 0.00 C ATOM 1576 CG LYS A 877 9.542 -14.257 13.458 1.00 0.00 C ATOM 1577 CD LYS A 877 9.488 -15.683 12.932 1.00 0.00 C ATOM 1578 CE LYS A 877 9.035 -16.657 14.006 1.00 0.00 C ATOM 1579 NZ LYS A 877 8.022 -17.616 13.493 1.00 0.00 N ATOM 0 H LYS A 877 12.699 -12.598 11.708 1.00 0.00 H new ATOM 0 HA LYS A 877 10.736 -14.471 10.994 1.00 0.00 H new ATOM 0 HB2 LYS A 877 11.657 -13.976 13.294 1.00 0.00 H new ATOM 0 HB3 LYS A 877 10.733 -12.487 13.302 1.00 0.00 H new ATOM 0 HG2 LYS A 877 9.581 -14.271 14.547 1.00 0.00 H new ATOM 0 HG3 LYS A 877 8.629 -13.731 13.178 1.00 0.00 H new ATOM 0 HD2 LYS A 877 8.806 -15.733 12.083 1.00 0.00 H new ATOM 0 HD3 LYS A 877 10.473 -15.975 12.567 1.00 0.00 H new ATOM 0 HE2 LYS A 877 9.897 -17.207 14.384 1.00 0.00 H new ATOM 0 HE3 LYS A 877 8.617 -16.102 14.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 877 7.739 -18.263 14.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 877 7.189 -17.093 13.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 877 8.429 -18.164 12.708 1.00 0.00 H new ATOM 1593 N TYR A 878 9.744 -11.315 11.021 1.00 0.00 N ATOM 1594 CA TYR A 878 8.671 -10.425 10.614 1.00 0.00 C ATOM 1595 C TYR A 878 8.614 -10.276 9.098 1.00 0.00 C ATOM 1596 O TYR A 878 7.539 -10.087 8.534 1.00 0.00 O ATOM 1597 CB TYR A 878 8.803 -9.068 11.299 1.00 0.00 C ATOM 1598 CG TYR A 878 7.741 -8.853 12.353 1.00 0.00 C ATOM 1599 CD1 TYR A 878 7.502 -9.818 13.326 1.00 0.00 C ATOM 1600 CD2 TYR A 878 6.964 -7.704 12.364 1.00 0.00 C ATOM 1601 CE1 TYR A 878 6.517 -9.644 14.277 1.00 0.00 C ATOM 1602 CE2 TYR A 878 5.979 -7.519 13.317 1.00 0.00 C ATOM 1603 CZ TYR A 878 5.758 -8.492 14.269 1.00 0.00 C ATOM 1604 OH TYR A 878 4.765 -8.320 15.210 1.00 0.00 O ATOM 0 H TYR A 878 10.548 -10.846 11.439 1.00 0.00 H new ATOM 0 HA TYR A 878 7.729 -10.872 10.931 1.00 0.00 H new ATOM 0 HB2 TYR A 878 9.789 -8.989 11.758 1.00 0.00 H new ATOM 0 HB3 TYR A 878 8.735 -8.278 10.551 1.00 0.00 H new ATOM 0 HD1 TYR A 878 8.097 -10.719 13.337 1.00 0.00 H new ATOM 0 HD2 TYR A 878 7.131 -6.942 11.617 1.00 0.00 H new ATOM 0 HE1 TYR A 878 6.341 -10.405 15.023 1.00 0.00 H new ATOM 0 HE2 TYR A 878 5.386 -6.617 13.316 1.00 0.00 H new ATOM 0 HH TYR A 878 4.325 -7.456 15.067 1.00 0.00 H new ATOM 1614 N ILE A 879 9.765 -10.356 8.436 1.00 0.00 N ATOM 1615 CA ILE A 879 9.785 -10.374 6.977 1.00 0.00 C ATOM 1616 C ILE A 879 8.990 -11.577 6.472 1.00 0.00 C ATOM 1617 O ILE A 879 8.167 -11.457 5.562 1.00 0.00 O ATOM 1618 CB ILE A 879 11.225 -10.433 6.409 1.00 0.00 C ATOM 1619 CG1 ILE A 879 11.969 -9.130 6.702 1.00 0.00 C ATOM 1620 CG2 ILE A 879 11.205 -10.700 4.907 1.00 0.00 C ATOM 1621 CD1 ILE A 879 13.439 -9.180 6.344 1.00 0.00 C ATOM 0 H ILE A 879 10.683 -10.409 8.878 1.00 0.00 H new ATOM 0 HA ILE A 879 9.333 -9.444 6.631 1.00 0.00 H new ATOM 0 HB ILE A 879 11.749 -11.254 6.898 1.00 0.00 H new ATOM 0 HG12 ILE A 879 11.496 -8.319 6.149 1.00 0.00 H new ATOM 0 HG13 ILE A 879 11.869 -8.894 7.761 1.00 0.00 H new ATOM 0 HG21 ILE A 879 12.227 -10.737 4.530 1.00 0.00 H new ATOM 0 HG22 ILE A 879 10.712 -11.653 4.713 1.00 0.00 H new ATOM 0 HG23 ILE A 879 10.661 -9.901 4.403 1.00 0.00 H new ATOM 0 HD11 ILE A 879 13.903 -8.222 6.578 1.00 0.00 H new ATOM 0 HD12 ILE A 879 13.926 -9.969 6.916 1.00 0.00 H new ATOM 0 HD13 ILE A 879 13.547 -9.385 5.279 1.00 0.00 H new ATOM 1633 N SER A 880 9.219 -12.730 7.094 1.00 0.00 N ATOM 1634 CA SER A 880 8.493 -13.944 6.751 1.00 0.00 C ATOM 1635 C SER A 880 7.019 -13.819 7.136 1.00 0.00 C ATOM 1636 O SER A 880 6.151 -14.430 6.514 1.00 0.00 O ATOM 1637 CB SER A 880 9.119 -15.158 7.442 1.00 0.00 C ATOM 1638 OG SER A 880 10.536 -15.128 7.352 1.00 0.00 O ATOM 0 H SER A 880 9.904 -12.847 7.840 1.00 0.00 H new ATOM 0 HA SER A 880 8.558 -14.085 5.672 1.00 0.00 H new ATOM 0 HB2 SER A 880 8.819 -15.178 8.490 1.00 0.00 H new ATOM 0 HB3 SER A 880 8.743 -16.073 6.985 1.00 0.00 H new ATOM 0 HG SER A 880 10.903 -14.653 8.127 1.00 0.00 H new ATOM 1644 N ASP A 881 6.739 -13.026 8.166 1.00 0.00 N ATOM 1645 CA ASP A 881 5.364 -12.786 8.601 1.00 0.00 C ATOM 1646 C ASP A 881 4.616 -11.941 7.573 1.00 0.00 C ATOM 1647 O ASP A 881 3.424 -12.133 7.341 1.00 0.00 O ATOM 1648 CB ASP A 881 5.341 -12.098 9.969 1.00 0.00 C ATOM 1649 CG ASP A 881 4.819 -13.007 11.064 1.00 0.00 C ATOM 1650 OD1 ASP A 881 5.024 -14.242 10.976 1.00 0.00 O ATOM 1651 OD2 ASP A 881 4.204 -12.496 12.025 1.00 0.00 O ATOM 0 H ASP A 881 7.446 -12.538 8.716 1.00 0.00 H new ATOM 0 HA ASP A 881 4.863 -13.750 8.690 1.00 0.00 H new ATOM 0 HB2 ASP A 881 6.348 -11.768 10.224 1.00 0.00 H new ATOM 0 HB3 ASP A 881 4.718 -11.206 9.913 1.00 0.00 H new ATOM 1656 N ILE A 882 5.327 -11.006 6.955 1.00 0.00 N ATOM 1657 CA ILE A 882 4.772 -10.230 5.854 1.00 0.00 C ATOM 1658 C ILE A 882 4.617 -11.118 4.621 1.00 0.00 C ATOM 1659 O ILE A 882 3.671 -10.972 3.842 1.00 0.00 O ATOM 1660 CB ILE A 882 5.652 -8.998 5.523 1.00 0.00 C ATOM 1661 CG1 ILE A 882 5.686 -8.044 6.722 1.00 0.00 C ATOM 1662 CG2 ILE A 882 5.123 -8.277 4.289 1.00 0.00 C ATOM 1663 CD1 ILE A 882 6.610 -6.860 6.537 1.00 0.00 C ATOM 0 H ILE A 882 6.288 -10.767 7.198 1.00 0.00 H new ATOM 0 HA ILE A 882 3.793 -9.861 6.160 1.00 0.00 H new ATOM 0 HB ILE A 882 6.665 -9.339 5.312 1.00 0.00 H new ATOM 0 HG12 ILE A 882 4.677 -7.679 6.912 1.00 0.00 H new ATOM 0 HG13 ILE A 882 5.996 -8.599 7.607 1.00 0.00 H new ATOM 0 HG21 ILE A 882 5.754 -7.415 4.073 1.00 0.00 H new ATOM 0 HG22 ILE A 882 5.134 -8.957 3.437 1.00 0.00 H new ATOM 0 HG23 ILE A 882 4.102 -7.942 4.473 1.00 0.00 H new ATOM 0 HD11 ILE A 882 6.579 -6.232 7.427 1.00 0.00 H new ATOM 0 HD12 ILE A 882 7.628 -7.215 6.378 1.00 0.00 H new ATOM 0 HD13 ILE A 882 6.289 -6.280 5.672 1.00 0.00 H new ATOM 1675 N ASP A 883 5.531 -12.069 4.478 1.00 0.00 N ATOM 1676 CA ASP A 883 5.534 -12.976 3.340 1.00 0.00 C ATOM 1677 C ASP A 883 4.355 -13.924 3.451 1.00 0.00 C ATOM 1678 O ASP A 883 3.657 -14.201 2.476 1.00 0.00 O ATOM 1679 CB ASP A 883 6.856 -13.750 3.305 1.00 0.00 C ATOM 1680 CG ASP A 883 6.803 -15.016 2.467 1.00 0.00 C ATOM 1681 OD1 ASP A 883 7.074 -14.944 1.253 1.00 0.00 O ATOM 1682 OD2 ASP A 883 6.524 -16.095 3.032 1.00 0.00 O ATOM 0 H ASP A 883 6.286 -12.232 5.144 1.00 0.00 H new ATOM 0 HA ASP A 883 5.441 -12.411 2.412 1.00 0.00 H new ATOM 0 HB2 ASP A 883 7.637 -13.099 2.913 1.00 0.00 H new ATOM 0 HB3 ASP A 883 7.140 -14.012 4.324 1.00 0.00 H new ATOM 1687 N SER A 884 4.118 -14.387 4.664 1.00 0.00 N ATOM 1688 CA SER A 884 2.985 -15.237 4.951 1.00 0.00 C ATOM 1689 C SER A 884 1.690 -14.436 4.853 1.00 0.00 C ATOM 1690 O SER A 884 0.636 -14.969 4.491 1.00 0.00 O ATOM 1691 CB SER A 884 3.149 -15.850 6.340 1.00 0.00 C ATOM 1692 OG SER A 884 3.602 -14.894 7.276 1.00 0.00 O ATOM 0 H SER A 884 4.705 -14.184 5.473 1.00 0.00 H new ATOM 0 HA SER A 884 2.937 -16.043 4.219 1.00 0.00 H new ATOM 0 HB2 SER A 884 2.196 -16.263 6.672 1.00 0.00 H new ATOM 0 HB3 SER A 884 3.856 -16.678 6.293 1.00 0.00 H new ATOM 0 HG SER A 884 3.292 -14.003 7.010 1.00 0.00 H new ATOM 1698 N TYR A 885 1.775 -13.143 5.156 1.00 0.00 N ATOM 1699 CA TYR A 885 0.622 -12.260 5.048 1.00 0.00 C ATOM 1700 C TYR A 885 0.171 -12.171 3.603 1.00 0.00 C ATOM 1701 O TYR A 885 -0.970 -12.492 3.276 1.00 0.00 O ATOM 1702 CB TYR A 885 0.947 -10.861 5.566 1.00 0.00 C ATOM 1703 CG TYR A 885 -0.019 -10.382 6.627 1.00 0.00 C ATOM 1704 CD1 TYR A 885 -0.372 -11.203 7.692 1.00 0.00 C ATOM 1705 CD2 TYR A 885 -0.588 -9.117 6.556 1.00 0.00 C ATOM 1706 CE1 TYR A 885 -1.262 -10.776 8.657 1.00 0.00 C ATOM 1707 CE2 TYR A 885 -1.481 -8.683 7.518 1.00 0.00 C ATOM 1708 CZ TYR A 885 -1.815 -9.517 8.565 1.00 0.00 C ATOM 1709 OH TYR A 885 -2.706 -9.090 9.524 1.00 0.00 O ATOM 0 H TYR A 885 2.629 -12.687 5.477 1.00 0.00 H new ATOM 0 HA TYR A 885 -0.179 -12.677 5.659 1.00 0.00 H new ATOM 0 HB2 TYR A 885 1.957 -10.857 5.975 1.00 0.00 H new ATOM 0 HB3 TYR A 885 0.938 -10.160 4.732 1.00 0.00 H new ATOM 0 HD1 TYR A 885 0.057 -12.191 7.766 1.00 0.00 H new ATOM 0 HD2 TYR A 885 -0.329 -8.463 5.737 1.00 0.00 H new ATOM 0 HE1 TYR A 885 -1.524 -11.425 9.480 1.00 0.00 H new ATOM 0 HE2 TYR A 885 -1.915 -7.696 7.450 1.00 0.00 H new ATOM 0 HH TYR A 885 -2.215 -8.807 10.323 1.00 0.00 H new ATOM 1719 N VAL A 886 1.084 -11.760 2.738 1.00 0.00 N ATOM 1720 CA VAL A 886 0.782 -11.617 1.326 1.00 0.00 C ATOM 1721 C VAL A 886 0.414 -12.971 0.717 1.00 0.00 C ATOM 1722 O VAL A 886 -0.436 -13.051 -0.162 1.00 0.00 O ATOM 1723 CB VAL A 886 1.959 -10.962 0.563 1.00 0.00 C ATOM 1724 CG1 VAL A 886 3.098 -11.939 0.324 1.00 0.00 C ATOM 1725 CG2 VAL A 886 1.489 -10.369 -0.752 1.00 0.00 C ATOM 0 H VAL A 886 2.042 -11.519 2.991 1.00 0.00 H new ATOM 0 HA VAL A 886 -0.078 -10.954 1.229 1.00 0.00 H new ATOM 0 HB VAL A 886 2.340 -10.159 1.194 1.00 0.00 H new ATOM 0 HG11 VAL A 886 3.902 -11.436 -0.214 1.00 0.00 H new ATOM 0 HG12 VAL A 886 3.473 -12.301 1.281 1.00 0.00 H new ATOM 0 HG13 VAL A 886 2.737 -12.781 -0.267 1.00 0.00 H new ATOM 0 HG21 VAL A 886 2.334 -9.915 -1.269 1.00 0.00 H new ATOM 0 HG22 VAL A 886 1.063 -11.156 -1.374 1.00 0.00 H new ATOM 0 HG23 VAL A 886 0.731 -9.610 -0.559 1.00 0.00 H new ATOM 1735 N LYS A 887 1.030 -14.036 1.228 1.00 0.00 N ATOM 1736 CA LYS A 887 0.728 -15.395 0.799 1.00 0.00 C ATOM 1737 C LYS A 887 -0.753 -15.713 0.980 1.00 0.00 C ATOM 1738 O LYS A 887 -1.412 -16.206 0.065 1.00 0.00 O ATOM 1739 CB LYS A 887 1.552 -16.386 1.617 1.00 0.00 C ATOM 1740 CG LYS A 887 2.654 -17.067 0.836 1.00 0.00 C ATOM 1741 CD LYS A 887 2.959 -18.430 1.425 1.00 0.00 C ATOM 1742 CE LYS A 887 4.336 -18.923 1.022 1.00 0.00 C ATOM 1743 NZ LYS A 887 4.464 -20.395 1.181 1.00 0.00 N ATOM 0 H LYS A 887 1.750 -13.979 1.949 1.00 0.00 H new ATOM 0 HA LYS A 887 0.977 -15.479 -0.259 1.00 0.00 H new ATOM 0 HB2 LYS A 887 1.993 -15.862 2.465 1.00 0.00 H new ATOM 0 HB3 LYS A 887 0.886 -17.147 2.024 1.00 0.00 H new ATOM 0 HG2 LYS A 887 2.356 -17.174 -0.207 1.00 0.00 H new ATOM 0 HG3 LYS A 887 3.552 -16.449 0.849 1.00 0.00 H new ATOM 0 HD2 LYS A 887 2.895 -18.379 2.512 1.00 0.00 H new ATOM 0 HD3 LYS A 887 2.206 -19.145 1.095 1.00 0.00 H new ATOM 0 HE2 LYS A 887 4.530 -18.651 -0.016 1.00 0.00 H new ATOM 0 HE3 LYS A 887 5.092 -18.425 1.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 887 5.419 -20.693 0.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 887 4.304 -20.652 2.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 887 3.759 -20.871 0.583 1.00 0.00 H new ATOM 1757 N SER A 888 -1.268 -15.418 2.166 1.00 0.00 N ATOM 1758 CA SER A 888 -2.648 -15.747 2.505 1.00 0.00 C ATOM 1759 C SER A 888 -3.620 -14.677 2.005 1.00 0.00 C ATOM 1760 O SER A 888 -4.830 -14.909 1.937 1.00 0.00 O ATOM 1761 CB SER A 888 -2.786 -15.921 4.019 1.00 0.00 C ATOM 1762 OG SER A 888 -1.593 -16.443 4.580 1.00 0.00 O ATOM 0 H SER A 888 -0.751 -14.951 2.911 1.00 0.00 H new ATOM 0 HA SER A 888 -2.902 -16.683 2.009 1.00 0.00 H new ATOM 0 HB2 SER A 888 -3.019 -14.961 4.479 1.00 0.00 H new ATOM 0 HB3 SER A 888 -3.618 -16.590 4.238 1.00 0.00 H new ATOM 0 HG SER A 888 -0.963 -15.711 4.748 1.00 0.00 H new ATOM 1768 N LEU A 889 -3.093 -13.508 1.661 1.00 0.00 N ATOM 1769 CA LEU A 889 -3.919 -12.413 1.166 1.00 0.00 C ATOM 1770 C LEU A 889 -4.222 -12.588 -0.318 1.00 0.00 C ATOM 1771 O LEU A 889 -5.333 -12.310 -0.764 1.00 0.00 O ATOM 1772 CB LEU A 889 -3.220 -11.073 1.399 1.00 0.00 C ATOM 1773 CG LEU A 889 -3.871 -10.178 2.457 1.00 0.00 C ATOM 1774 CD1 LEU A 889 -2.877 -9.841 3.557 1.00 0.00 C ATOM 1775 CD2 LEU A 889 -4.414 -8.907 1.823 1.00 0.00 C ATOM 0 H LEU A 889 -2.097 -13.294 1.716 1.00 0.00 H new ATOM 0 HA LEU A 889 -4.860 -12.425 1.715 1.00 0.00 H new ATOM 0 HB2 LEU A 889 -2.188 -11.265 1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 889 -3.187 -10.529 0.455 1.00 0.00 H new ATOM 0 HG LEU A 889 -4.704 -10.724 2.901 1.00 0.00 H new ATOM 0 HD11 LEU A 889 -3.358 -9.204 4.299 1.00 0.00 H new ATOM 0 HD12 LEU A 889 -2.536 -10.760 4.033 1.00 0.00 H new ATOM 0 HD13 LEU A 889 -2.023 -9.317 3.128 1.00 0.00 H new ATOM 0 HD21 LEU A 889 -4.873 -8.284 2.591 1.00 0.00 H new ATOM 0 HD22 LEU A 889 -3.599 -8.359 1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 889 -5.160 -9.165 1.072 1.00 0.00 H new ATOM 1787 N LEU A 890 -3.223 -13.047 -1.069 1.00 0.00 N ATOM 1788 CA LEU A 890 -3.362 -13.245 -2.511 1.00 0.00 C ATOM 1789 C LEU A 890 -4.508 -14.199 -2.827 1.00 0.00 C ATOM 1790 O LEU A 890 -4.604 -15.259 -2.172 1.00 0.00 O ATOM 1791 CB LEU A 890 -2.062 -13.797 -3.109 1.00 0.00 C ATOM 1792 CG LEU A 890 -0.860 -12.856 -3.056 1.00 0.00 C ATOM 1793 CD1 LEU A 890 0.283 -13.411 -3.888 1.00 0.00 C ATOM 1794 CD2 LEU A 890 -1.250 -11.468 -3.531 1.00 0.00 C ATOM 1795 OXT LEU A 890 -5.298 -13.895 -3.747 1.00 0.00 O ATOM 0 H LEU A 890 -2.303 -13.290 -0.701 1.00 0.00 H new ATOM 0 HA LEU A 890 -3.580 -12.274 -2.955 1.00 0.00 H new ATOM 0 HB2 LEU A 890 -1.804 -14.717 -2.585 1.00 0.00 H new ATOM 0 HB3 LEU A 890 -2.246 -14.064 -4.150 1.00 0.00 H new ATOM 0 HG LEU A 890 -0.524 -12.779 -2.022 1.00 0.00 H new ATOM 0 HD11 LEU A 890 1.132 -12.729 -3.840 1.00 0.00 H new ATOM 0 HD12 LEU A 890 0.577 -14.385 -3.498 1.00 0.00 H new ATOM 0 HD13 LEU A 890 -0.039 -13.517 -4.924 1.00 0.00 H new ATOM 0 HD21 LEU A 890 -0.382 -10.811 -3.487 1.00 0.00 H new ATOM 0 HD22 LEU A 890 -1.611 -11.523 -4.558 1.00 0.00 H new ATOM 0 HD23 LEU A 890 -2.038 -11.072 -2.890 1.00 0.00 H new TER 1807 LEU A 890