USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 903 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 839 GLN : amide:sc= 0.685 K(o=2.5,f=-2.4!) USER MOD Set 1.2: A 840 THR OG1 : rot 87:sc= 1.78 USER MOD Single : A 775 MET CE :methyl -151:sc= -0.124 (180deg=-0.679) USER MOD Single : A 776 GLN : amide:sc= -0.494 X(o=-0.49,f=-0.49) USER MOD Single : A 781 GLN : amide:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 786 GLN : amide:sc=-0.00685 K(o=-0.0069,f=-1.1) USER MOD Single : A 789 GLN : amide:sc= 0.152 K(o=0.15,f=-0.45) USER MOD Single : A 793 THR OG1 : rot 180:sc= 0 USER MOD Single : A 795 SER OG : rot 180:sc= 0 USER MOD Single : A 802 ASN : amide:sc= 0.776 K(o=0.78,f=-2.9!) USER MOD Single : A 804 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 806 HIS : no HD1:sc= -0.168 X(o=-0.17,f=-0.057) USER MOD Single : A 808 SER OG : rot -93:sc= 1.33 USER MOD Single : A 810 TYR OH : rot 180:sc= 0 USER MOD Single : A 811 TYR OH : rot -84:sc= 1.25 USER MOD Single : A 817 THR OG1 : rot -77:sc= 0.459 USER MOD Single : A 823 LYS NZ :NH3+ -145:sc= 0.932 (180deg=-0.775!) USER MOD Single : A 826 TYR OH : rot 30:sc= 0 USER MOD Single : A 827 THR OG1 : rot 60:sc= 0.515 USER MOD Single : A 831 THR OG1 : rot 180:sc=-0.00658 USER MOD Single : A 832 SER OG : rot 180:sc= 0 USER MOD Single : A 842 HIS : no HE2:sc= 1.09 K(o=1.1,f=-6!) USER MOD Single : A 845 LYS NZ :NH3+ -121:sc= 0.949 (180deg=-0.742) USER MOD Single : A 850 MET CE :methyl -155:sc= -0.505 (180deg=-0.994) USER MOD Single : A 852 ASN : amide:sc= 0 X(o=0,f=0.099) USER MOD Single : A 857 LYS NZ :NH3+ -155:sc= 1.15 (180deg=1.03) USER MOD Single : A 858 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 860 CYS SG : rot 70:sc= -0.303 USER MOD Single : A 862 THR OG1 : rot 70:sc= 0.696 USER MOD Single : A 865 HIS : no HD1:sc= -0.347 X(o=-0.35,f=-0.088) 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 50:sc= 1.32 USER MOD Single : A 884 SER OG : rot -92:sc= -0.0883 USER MOD Single : A 885 TYR OH : rot 30:sc=-0.00348 USER MOD Single : A 887 LYS NZ :NH3+ -110:sc= 0.931 (180deg=-1.58!) USER MOD Single : A 888 SER OG : rot 47:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 775 -58.066 12.713 -0.339 1.00 0.00 N ATOM 2 CA MET A 775 -57.295 12.353 -1.551 1.00 0.00 C ATOM 3 C MET A 775 -57.690 13.247 -2.717 1.00 0.00 C ATOM 4 O MET A 775 -58.817 13.166 -3.212 1.00 0.00 O ATOM 5 CB MET A 775 -57.541 10.889 -1.923 1.00 0.00 C ATOM 6 CG MET A 775 -56.911 10.483 -3.246 1.00 0.00 C ATOM 7 SD MET A 775 -58.134 10.116 -4.520 1.00 0.00 S ATOM 8 CE MET A 775 -58.997 8.735 -3.774 1.00 0.00 C ATOM 0 HA MET A 775 -56.236 12.495 -1.336 1.00 0.00 H new ATOM 0 HB2 MET A 775 -57.148 10.251 -1.132 1.00 0.00 H new ATOM 0 HB3 MET A 775 -58.615 10.711 -1.972 1.00 0.00 H new ATOM 0 HG2 MET A 775 -56.260 11.285 -3.594 1.00 0.00 H new ATOM 0 HG3 MET A 775 -56.282 9.607 -3.090 1.00 0.00 H new ATOM 0 HE1 MET A 775 -59.390 8.086 -4.557 1.00 0.00 H new ATOM 0 HE2 MET A 775 -58.307 8.171 -3.147 1.00 0.00 H new ATOM 0 HE3 MET A 775 -59.820 9.107 -3.164 1.00 0.00 H new ATOM 20 N GLN A 776 -56.769 14.098 -3.150 1.00 0.00 N ATOM 21 CA GLN A 776 -57.023 14.975 -4.282 1.00 0.00 C ATOM 22 C GLN A 776 -55.758 15.169 -5.109 1.00 0.00 C ATOM 23 O GLN A 776 -55.695 14.760 -6.266 1.00 0.00 O ATOM 24 CB GLN A 776 -57.545 16.330 -3.802 1.00 0.00 C ATOM 25 CG GLN A 776 -58.455 17.027 -4.801 1.00 0.00 C ATOM 26 CD GLN A 776 -59.535 16.114 -5.353 1.00 0.00 C ATOM 27 OE1 GLN A 776 -59.570 15.830 -6.550 1.00 0.00 O ATOM 28 NE2 GLN A 776 -60.423 15.648 -4.490 1.00 0.00 N ATOM 0 H GLN A 776 -55.843 14.198 -2.735 1.00 0.00 H new ATOM 0 HA GLN A 776 -57.781 14.506 -4.910 1.00 0.00 H new ATOM 0 HB2 GLN A 776 -58.088 16.189 -2.867 1.00 0.00 H new ATOM 0 HB3 GLN A 776 -56.697 16.979 -3.583 1.00 0.00 H new ATOM 0 HG2 GLN A 776 -58.923 17.886 -4.321 1.00 0.00 H new ATOM 0 HG3 GLN A 776 -57.854 17.411 -5.626 1.00 0.00 H new ATOM 0 HE21 GLN A 776 -60.361 15.906 -3.505 1.00 0.00 H new ATOM 0 HE22 GLN A 776 -61.169 15.031 -4.810 1.00 0.00 H new ATOM 37 N GLU A 777 -54.742 15.775 -4.505 1.00 0.00 N ATOM 38 CA GLU A 777 -53.511 16.084 -5.219 1.00 0.00 C ATOM 39 C GLU A 777 -52.459 14.998 -5.010 1.00 0.00 C ATOM 40 O GLU A 777 -51.771 14.597 -5.949 1.00 0.00 O ATOM 41 CB GLU A 777 -52.960 17.447 -4.783 1.00 0.00 C ATOM 42 CG GLU A 777 -52.749 17.588 -3.283 1.00 0.00 C ATOM 43 CD GLU A 777 -52.897 19.016 -2.802 1.00 0.00 C ATOM 44 OE1 GLU A 777 -52.259 19.919 -3.386 1.00 0.00 O ATOM 45 OE2 GLU A 777 -53.654 19.241 -1.836 1.00 0.00 O ATOM 0 H GLU A 777 -54.747 16.061 -3.526 1.00 0.00 H new ATOM 0 HA GLU A 777 -53.748 16.125 -6.282 1.00 0.00 H new ATOM 0 HB2 GLU A 777 -52.010 17.620 -5.289 1.00 0.00 H new ATOM 0 HB3 GLU A 777 -53.646 18.226 -5.116 1.00 0.00 H new ATOM 0 HG2 GLU A 777 -53.466 16.957 -2.759 1.00 0.00 H new ATOM 0 HG3 GLU A 777 -51.755 17.223 -3.025 1.00 0.00 H new ATOM 52 N ALA A 778 -52.351 14.508 -3.785 1.00 0.00 N ATOM 53 CA ALA A 778 -51.332 13.527 -3.449 1.00 0.00 C ATOM 54 C ALA A 778 -51.929 12.128 -3.383 1.00 0.00 C ATOM 55 O ALA A 778 -52.140 11.577 -2.302 1.00 0.00 O ATOM 56 CB ALA A 778 -50.657 13.891 -2.134 1.00 0.00 C ATOM 0 H ALA A 778 -52.956 14.773 -3.008 1.00 0.00 H new ATOM 0 HA ALA A 778 -50.577 13.533 -4.235 1.00 0.00 H new ATOM 0 HB1 ALA A 778 -49.897 13.147 -1.897 1.00 0.00 H new ATOM 0 HB2 ALA A 778 -50.189 14.871 -2.224 1.00 0.00 H new ATOM 0 HB3 ALA A 778 -51.401 13.916 -1.338 1.00 0.00 H new ATOM 62 N VAL A 779 -52.208 11.562 -4.548 1.00 0.00 N ATOM 63 CA VAL A 779 -52.760 10.216 -4.625 1.00 0.00 C ATOM 64 C VAL A 779 -51.683 9.190 -4.293 1.00 0.00 C ATOM 65 O VAL A 779 -51.914 8.253 -3.528 1.00 0.00 O ATOM 66 CB VAL A 779 -53.351 9.908 -6.020 1.00 0.00 C ATOM 67 CG1 VAL A 779 -54.798 10.357 -6.098 1.00 0.00 C ATOM 68 CG2 VAL A 779 -52.533 10.560 -7.122 1.00 0.00 C ATOM 0 H VAL A 779 -52.062 12.012 -5.452 1.00 0.00 H new ATOM 0 HA VAL A 779 -53.570 10.157 -3.898 1.00 0.00 H new ATOM 0 HB VAL A 779 -53.312 8.829 -6.167 1.00 0.00 H new ATOM 0 HG11 VAL A 779 -55.196 10.132 -7.087 1.00 0.00 H new ATOM 0 HG12 VAL A 779 -55.383 9.832 -5.343 1.00 0.00 H new ATOM 0 HG13 VAL A 779 -54.856 11.431 -5.920 1.00 0.00 H new ATOM 0 HG21 VAL A 779 -52.974 10.325 -8.090 1.00 0.00 H new ATOM 0 HG22 VAL A 779 -52.526 11.641 -6.979 1.00 0.00 H new ATOM 0 HG23 VAL A 779 -51.511 10.183 -7.088 1.00 0.00 H new ATOM 78 N LEU A 780 -50.505 9.395 -4.863 1.00 0.00 N ATOM 79 CA LEU A 780 -49.358 8.526 -4.622 1.00 0.00 C ATOM 80 C LEU A 780 -48.115 9.376 -4.379 1.00 0.00 C ATOM 81 O LEU A 780 -48.213 10.597 -4.258 1.00 0.00 O ATOM 82 CB LEU A 780 -49.132 7.594 -5.819 1.00 0.00 C ATOM 83 CG LEU A 780 -50.384 6.882 -6.341 1.00 0.00 C ATOM 84 CD1 LEU A 780 -50.282 6.652 -7.841 1.00 0.00 C ATOM 85 CD2 LEU A 780 -50.600 5.567 -5.607 1.00 0.00 C ATOM 0 H LEU A 780 -50.315 10.165 -5.504 1.00 0.00 H new ATOM 0 HA LEU A 780 -49.555 7.915 -3.741 1.00 0.00 H new ATOM 0 HB2 LEU A 780 -48.698 8.174 -6.633 1.00 0.00 H new ATOM 0 HB3 LEU A 780 -48.396 6.840 -5.538 1.00 0.00 H new ATOM 0 HG LEU A 780 -51.246 7.522 -6.152 1.00 0.00 H new ATOM 0 HD11 LEU A 780 -51.180 6.145 -8.193 1.00 0.00 H new ATOM 0 HD12 LEU A 780 -50.183 7.611 -8.350 1.00 0.00 H new ATOM 0 HD13 LEU A 780 -49.410 6.035 -8.056 1.00 0.00 H new ATOM 0 HD21 LEU A 780 -51.494 5.078 -5.993 1.00 0.00 H new ATOM 0 HD22 LEU A 780 -49.737 4.919 -5.760 1.00 0.00 H new ATOM 0 HD23 LEU A 780 -50.724 5.761 -4.542 1.00 0.00 H new ATOM 97 N GLN A 781 -46.949 8.747 -4.315 1.00 0.00 N ATOM 98 CA GLN A 781 -45.711 9.489 -4.123 1.00 0.00 C ATOM 99 C GLN A 781 -44.800 9.321 -5.334 1.00 0.00 C ATOM 100 O GLN A 781 -45.276 9.191 -6.463 1.00 0.00 O ATOM 101 CB GLN A 781 -44.988 9.059 -2.836 1.00 0.00 C ATOM 102 CG GLN A 781 -45.695 9.510 -1.570 1.00 0.00 C ATOM 103 CD GLN A 781 -46.523 8.413 -0.937 1.00 0.00 C ATOM 104 OE1 GLN A 781 -45.992 7.405 -0.476 1.00 0.00 O ATOM 105 NE2 GLN A 781 -47.831 8.602 -0.904 1.00 0.00 N ATOM 0 H GLN A 781 -46.835 7.736 -4.392 1.00 0.00 H new ATOM 0 HA GLN A 781 -45.966 10.544 -4.019 1.00 0.00 H new ATOM 0 HB2 GLN A 781 -44.896 7.973 -2.825 1.00 0.00 H new ATOM 0 HB3 GLN A 781 -43.976 9.465 -2.843 1.00 0.00 H new ATOM 0 HG2 GLN A 781 -44.954 9.860 -0.851 1.00 0.00 H new ATOM 0 HG3 GLN A 781 -46.340 10.358 -1.802 1.00 0.00 H new ATOM 0 HE21 GLN A 781 -48.233 9.453 -1.298 1.00 0.00 H new ATOM 0 HE22 GLN A 781 -48.438 7.897 -0.485 1.00 0.00 H new ATOM 114 N LEU A 782 -43.498 9.325 -5.098 1.00 0.00 N ATOM 115 CA LEU A 782 -42.522 9.216 -6.173 1.00 0.00 C ATOM 116 C LEU A 782 -41.376 8.312 -5.734 1.00 0.00 C ATOM 117 O LEU A 782 -41.283 7.154 -6.140 1.00 0.00 O ATOM 118 CB LEU A 782 -42.003 10.614 -6.554 1.00 0.00 C ATOM 119 CG LEU A 782 -41.432 11.450 -5.397 1.00 0.00 C ATOM 120 CD1 LEU A 782 -40.259 12.290 -5.876 1.00 0.00 C ATOM 121 CD2 LEU A 782 -42.503 12.338 -4.782 1.00 0.00 C ATOM 0 H LEU A 782 -43.090 9.403 -4.167 1.00 0.00 H new ATOM 0 HA LEU A 782 -42.994 8.776 -7.051 1.00 0.00 H new ATOM 0 HB2 LEU A 782 -41.229 10.500 -7.312 1.00 0.00 H new ATOM 0 HB3 LEU A 782 -42.819 11.172 -7.013 1.00 0.00 H new ATOM 0 HG LEU A 782 -41.080 10.763 -4.628 1.00 0.00 H new ATOM 0 HD11 LEU A 782 -39.867 12.875 -5.044 1.00 0.00 H new ATOM 0 HD12 LEU A 782 -39.476 11.636 -6.260 1.00 0.00 H new ATOM 0 HD13 LEU A 782 -40.592 12.962 -6.667 1.00 0.00 H new ATOM 0 HD21 LEU A 782 -42.071 12.918 -3.966 1.00 0.00 H new ATOM 0 HD22 LEU A 782 -42.894 13.015 -5.541 1.00 0.00 H new ATOM 0 HD23 LEU A 782 -43.313 11.718 -4.397 1.00 0.00 H new ATOM 133 N ILE A 783 -40.516 8.851 -4.895 1.00 0.00 N ATOM 134 CA ILE A 783 -39.462 8.093 -4.269 1.00 0.00 C ATOM 135 C ILE A 783 -39.492 8.372 -2.782 1.00 0.00 C ATOM 136 O ILE A 783 -39.024 9.419 -2.331 1.00 0.00 O ATOM 137 CB ILE A 783 -38.059 8.446 -4.818 1.00 0.00 C ATOM 138 CG1 ILE A 783 -38.146 9.053 -6.220 1.00 0.00 C ATOM 139 CG2 ILE A 783 -37.169 7.211 -4.832 1.00 0.00 C ATOM 140 CD1 ILE A 783 -37.110 10.125 -6.478 1.00 0.00 C ATOM 0 H ILE A 783 -40.532 9.835 -4.629 1.00 0.00 H new ATOM 0 HA ILE A 783 -39.637 7.039 -4.486 1.00 0.00 H new ATOM 0 HB ILE A 783 -37.619 9.192 -4.156 1.00 0.00 H new ATOM 0 HG12 ILE A 783 -38.029 8.260 -6.959 1.00 0.00 H new ATOM 0 HG13 ILE A 783 -39.140 9.477 -6.363 1.00 0.00 H new ATOM 0 HG21 ILE A 783 -36.186 7.476 -5.221 1.00 0.00 H new ATOM 0 HG22 ILE A 783 -37.066 6.825 -3.818 1.00 0.00 H new ATOM 0 HG23 ILE A 783 -37.617 6.447 -5.467 1.00 0.00 H new ATOM 0 HD11 ILE A 783 -37.230 10.511 -7.490 1.00 0.00 H new ATOM 0 HD12 ILE A 783 -37.240 10.937 -5.762 1.00 0.00 H new ATOM 0 HD13 ILE A 783 -36.112 9.701 -6.368 1.00 0.00 H new ATOM 152 N GLU A 784 -40.106 7.472 -2.034 1.00 0.00 N ATOM 153 CA GLU A 784 -40.138 7.572 -0.577 1.00 0.00 C ATOM 154 C GLU A 784 -38.714 7.692 -0.026 1.00 0.00 C ATOM 155 O GLU A 784 -38.471 8.362 0.976 1.00 0.00 O ATOM 156 CB GLU A 784 -40.835 6.355 0.043 1.00 0.00 C ATOM 157 CG GLU A 784 -40.850 5.122 -0.847 1.00 0.00 C ATOM 158 CD GLU A 784 -42.013 5.119 -1.816 1.00 0.00 C ATOM 159 OE1 GLU A 784 -43.129 4.730 -1.411 1.00 0.00 O ATOM 160 OE2 GLU A 784 -41.811 5.515 -2.985 1.00 0.00 O ATOM 0 H GLU A 784 -40.593 6.658 -2.410 1.00 0.00 H new ATOM 0 HA GLU A 784 -40.704 8.465 -0.311 1.00 0.00 H new ATOM 0 HB2 GLU A 784 -40.339 6.106 0.981 1.00 0.00 H new ATOM 0 HB3 GLU A 784 -41.862 6.625 0.288 1.00 0.00 H new ATOM 0 HG2 GLU A 784 -39.916 5.070 -1.406 1.00 0.00 H new ATOM 0 HG3 GLU A 784 -40.898 4.229 -0.224 1.00 0.00 H new ATOM 167 N VAL A 785 -37.781 7.045 -0.714 1.00 0.00 N ATOM 168 CA VAL A 785 -36.362 7.107 -0.370 1.00 0.00 C ATOM 169 C VAL A 785 -35.630 7.972 -1.393 1.00 0.00 C ATOM 170 O VAL A 785 -34.626 7.564 -1.968 1.00 0.00 O ATOM 171 CB VAL A 785 -35.723 5.700 -0.323 1.00 0.00 C ATOM 172 CG1 VAL A 785 -35.904 5.081 1.056 1.00 0.00 C ATOM 173 CG2 VAL A 785 -36.312 4.798 -1.403 1.00 0.00 C ATOM 0 H VAL A 785 -37.985 6.462 -1.526 1.00 0.00 H new ATOM 0 HA VAL A 785 -36.273 7.545 0.624 1.00 0.00 H new ATOM 0 HB VAL A 785 -34.655 5.802 -0.518 1.00 0.00 H new ATOM 0 HG11 VAL A 785 -35.449 4.091 1.073 1.00 0.00 H new ATOM 0 HG12 VAL A 785 -35.426 5.713 1.804 1.00 0.00 H new ATOM 0 HG13 VAL A 785 -36.967 4.995 1.280 1.00 0.00 H new ATOM 0 HG21 VAL A 785 -35.846 3.814 -1.349 1.00 0.00 H new ATOM 0 HG22 VAL A 785 -37.387 4.700 -1.249 1.00 0.00 H new ATOM 0 HG23 VAL A 785 -36.125 5.235 -2.384 1.00 0.00 H new ATOM 183 N GLN A 786 -36.167 9.176 -1.584 1.00 0.00 N ATOM 184 CA GLN A 786 -35.743 10.110 -2.637 1.00 0.00 C ATOM 185 C GLN A 786 -34.229 10.154 -2.852 1.00 0.00 C ATOM 186 O GLN A 786 -33.722 9.672 -3.864 1.00 0.00 O ATOM 187 CB GLN A 786 -36.258 11.517 -2.314 1.00 0.00 C ATOM 188 CG GLN A 786 -36.474 11.766 -0.827 1.00 0.00 C ATOM 189 CD GLN A 786 -37.162 13.088 -0.546 1.00 0.00 C ATOM 190 OE1 GLN A 786 -37.855 13.640 -1.400 1.00 0.00 O ATOM 191 NE2 GLN A 786 -36.979 13.599 0.662 1.00 0.00 N ATOM 0 H GLN A 786 -36.922 9.540 -1.003 1.00 0.00 H new ATOM 0 HA GLN A 786 -36.175 9.742 -3.567 1.00 0.00 H new ATOM 0 HB2 GLN A 786 -35.548 12.250 -2.696 1.00 0.00 H new ATOM 0 HB3 GLN A 786 -37.199 11.679 -2.840 1.00 0.00 H new ATOM 0 HG2 GLN A 786 -37.072 10.955 -0.411 1.00 0.00 H new ATOM 0 HG3 GLN A 786 -35.511 11.747 -0.317 1.00 0.00 H new ATOM 0 HE21 GLN A 786 -36.396 13.108 1.340 1.00 0.00 H new ATOM 0 HE22 GLN A 786 -37.421 14.483 0.914 1.00 0.00 H new ATOM 200 N LEU A 787 -33.512 10.733 -1.901 1.00 0.00 N ATOM 201 CA LEU A 787 -32.086 10.986 -2.082 1.00 0.00 C ATOM 202 C LEU A 787 -31.234 9.966 -1.336 1.00 0.00 C ATOM 203 O LEU A 787 -30.003 9.998 -1.418 1.00 0.00 O ATOM 204 CB LEU A 787 -31.731 12.399 -1.611 1.00 0.00 C ATOM 205 CG LEU A 787 -32.802 13.461 -1.861 1.00 0.00 C ATOM 206 CD1 LEU A 787 -33.118 14.205 -0.574 1.00 0.00 C ATOM 207 CD2 LEU A 787 -32.349 14.428 -2.945 1.00 0.00 C ATOM 0 H LEU A 787 -33.888 11.035 -1.002 1.00 0.00 H new ATOM 0 HA LEU A 787 -31.871 10.893 -3.147 1.00 0.00 H new ATOM 0 HB2 LEU A 787 -31.519 12.365 -0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 787 -30.812 12.710 -2.108 1.00 0.00 H new ATOM 0 HG LEU A 787 -33.711 12.966 -2.204 1.00 0.00 H new ATOM 0 HD11 LEU A 787 -33.882 14.958 -0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 787 -33.484 13.501 0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 787 -32.215 14.691 -0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 787 -33.123 15.177 -3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 787 -31.428 14.920 -2.632 1.00 0.00 H new ATOM 0 HD23 LEU A 787 -32.171 13.880 -3.870 1.00 0.00 H new ATOM 219 N ALA A 788 -31.882 9.055 -0.629 1.00 0.00 N ATOM 220 CA ALA A 788 -31.169 8.086 0.187 1.00 0.00 C ATOM 221 C ALA A 788 -31.856 6.727 0.155 1.00 0.00 C ATOM 222 O ALA A 788 -32.870 6.517 0.820 1.00 0.00 O ATOM 223 CB ALA A 788 -31.047 8.590 1.619 1.00 0.00 C ATOM 0 H ALA A 788 -32.898 8.966 -0.603 1.00 0.00 H new ATOM 0 HA ALA A 788 -30.169 7.964 -0.229 1.00 0.00 H new ATOM 0 HB1 ALA A 788 -30.511 7.855 2.219 1.00 0.00 H new ATOM 0 HB2 ALA A 788 -30.501 9.533 1.627 1.00 0.00 H new ATOM 0 HB3 ALA A 788 -32.042 8.743 2.037 1.00 0.00 H new ATOM 229 N GLN A 789 -31.297 5.813 -0.624 1.00 0.00 N ATOM 230 CA GLN A 789 -31.798 4.448 -0.692 1.00 0.00 C ATOM 231 C GLN A 789 -30.924 3.563 0.182 1.00 0.00 C ATOM 232 O GLN A 789 -30.961 3.663 1.410 1.00 0.00 O ATOM 233 CB GLN A 789 -31.814 3.930 -2.140 1.00 0.00 C ATOM 234 CG GLN A 789 -31.268 4.915 -3.165 1.00 0.00 C ATOM 235 CD GLN A 789 -32.341 5.826 -3.728 1.00 0.00 C ATOM 236 OE1 GLN A 789 -33.418 5.373 -4.113 1.00 0.00 O ATOM 237 NE2 GLN A 789 -32.049 7.114 -3.790 1.00 0.00 N ATOM 0 H GLN A 789 -30.491 5.994 -1.222 1.00 0.00 H new ATOM 0 HA GLN A 789 -32.826 4.427 -0.330 1.00 0.00 H new ATOM 0 HB2 GLN A 789 -31.231 3.010 -2.191 1.00 0.00 H new ATOM 0 HB3 GLN A 789 -32.838 3.673 -2.410 1.00 0.00 H new ATOM 0 HG2 GLN A 789 -30.489 5.521 -2.702 1.00 0.00 H new ATOM 0 HG3 GLN A 789 -30.801 4.363 -3.981 1.00 0.00 H new ATOM 0 HE21 GLN A 789 -31.144 7.448 -3.460 1.00 0.00 H new ATOM 0 HE22 GLN A 789 -32.729 7.773 -4.168 1.00 0.00 H new ATOM 246 N GLU A 790 -30.137 2.708 -0.445 1.00 0.00 N ATOM 247 CA GLU A 790 -29.135 1.939 0.274 1.00 0.00 C ATOM 248 C GLU A 790 -27.759 2.554 0.035 1.00 0.00 C ATOM 249 O GLU A 790 -27.549 3.240 -0.968 1.00 0.00 O ATOM 250 CB GLU A 790 -29.152 0.462 -0.143 1.00 0.00 C ATOM 251 CG GLU A 790 -29.471 0.227 -1.611 1.00 0.00 C ATOM 252 CD GLU A 790 -29.889 -1.204 -1.897 1.00 0.00 C ATOM 253 OE1 GLU A 790 -29.366 -2.131 -1.241 1.00 0.00 O ATOM 254 OE2 GLU A 790 -30.745 -1.407 -2.782 1.00 0.00 O ATOM 0 H GLU A 790 -30.171 2.528 -1.448 1.00 0.00 H new ATOM 0 HA GLU A 790 -29.367 1.974 1.338 1.00 0.00 H new ATOM 0 HB2 GLU A 790 -28.179 0.023 0.080 1.00 0.00 H new ATOM 0 HB3 GLU A 790 -29.887 -0.066 0.465 1.00 0.00 H new ATOM 0 HG2 GLU A 790 -30.269 0.903 -1.918 1.00 0.00 H new ATOM 0 HG3 GLU A 790 -28.596 0.473 -2.213 1.00 0.00 H new ATOM 261 N GLU A 791 -26.834 2.318 0.953 1.00 0.00 N ATOM 262 CA GLU A 791 -25.504 2.912 0.874 1.00 0.00 C ATOM 263 C GLU A 791 -24.427 1.854 1.105 1.00 0.00 C ATOM 264 O GLU A 791 -24.045 1.577 2.243 1.00 0.00 O ATOM 265 CB GLU A 791 -25.362 4.041 1.904 1.00 0.00 C ATOM 266 CG GLU A 791 -26.013 5.350 1.479 1.00 0.00 C ATOM 267 CD GLU A 791 -26.161 6.333 2.624 1.00 0.00 C ATOM 268 OE1 GLU A 791 -25.540 6.118 3.686 1.00 0.00 O ATOM 269 OE2 GLU A 791 -26.902 7.332 2.469 1.00 0.00 O ATOM 0 H GLU A 791 -26.979 1.718 1.765 1.00 0.00 H new ATOM 0 HA GLU A 791 -25.374 3.327 -0.125 1.00 0.00 H new ATOM 0 HB2 GLU A 791 -25.803 3.717 2.847 1.00 0.00 H new ATOM 0 HB3 GLU A 791 -24.303 4.217 2.091 1.00 0.00 H new ATOM 0 HG2 GLU A 791 -25.417 5.807 0.689 1.00 0.00 H new ATOM 0 HG3 GLU A 791 -26.996 5.141 1.057 1.00 0.00 H new ATOM 276 N VAL A 792 -23.923 1.280 0.020 1.00 0.00 N ATOM 277 CA VAL A 792 -22.930 0.209 0.102 1.00 0.00 C ATOM 278 C VAL A 792 -21.521 0.768 0.298 1.00 0.00 C ATOM 279 O VAL A 792 -20.577 0.376 -0.394 1.00 0.00 O ATOM 280 CB VAL A 792 -22.947 -0.682 -1.159 1.00 0.00 C ATOM 281 CG1 VAL A 792 -24.043 -1.736 -1.060 1.00 0.00 C ATOM 282 CG2 VAL A 792 -23.123 0.163 -2.416 1.00 0.00 C ATOM 0 H VAL A 792 -24.185 1.537 -0.932 1.00 0.00 H new ATOM 0 HA VAL A 792 -23.200 -0.396 0.967 1.00 0.00 H new ATOM 0 HB VAL A 792 -21.987 -1.194 -1.226 1.00 0.00 H new ATOM 0 HG11 VAL A 792 -24.037 -2.353 -1.959 1.00 0.00 H new ATOM 0 HG12 VAL A 792 -23.865 -2.365 -0.187 1.00 0.00 H new ATOM 0 HG13 VAL A 792 -25.012 -1.246 -0.963 1.00 0.00 H new ATOM 0 HG21 VAL A 792 -23.132 -0.486 -3.292 1.00 0.00 H new ATOM 0 HG22 VAL A 792 -24.065 0.709 -2.359 1.00 0.00 H new ATOM 0 HG23 VAL A 792 -22.298 0.871 -2.497 1.00 0.00 H new ATOM 292 N THR A 793 -21.382 1.684 1.242 1.00 0.00 N ATOM 293 CA THR A 793 -20.101 2.302 1.532 1.00 0.00 C ATOM 294 C THR A 793 -19.887 2.393 3.038 1.00 0.00 C ATOM 295 O THR A 793 -19.240 3.315 3.540 1.00 0.00 O ATOM 296 CB THR A 793 -20.013 3.704 0.911 1.00 0.00 C ATOM 297 OG1 THR A 793 -21.072 3.887 -0.044 1.00 0.00 O ATOM 298 CG2 THR A 793 -18.670 3.910 0.229 1.00 0.00 C ATOM 0 H THR A 793 -22.149 2.018 1.825 1.00 0.00 H new ATOM 0 HA THR A 793 -19.321 1.679 1.094 1.00 0.00 H new ATOM 0 HB THR A 793 -20.114 4.438 1.711 1.00 0.00 H new ATOM 0 HG1 THR A 793 -21.010 4.784 -0.434 1.00 0.00 H new ATOM 0 HG21 THR A 793 -18.631 4.910 -0.203 1.00 0.00 H new ATOM 0 HG22 THR A 793 -17.870 3.800 0.961 1.00 0.00 H new ATOM 0 HG23 THR A 793 -18.545 3.168 -0.560 1.00 0.00 H new ATOM 306 N GLU A 794 -20.439 1.426 3.755 1.00 0.00 N ATOM 307 CA GLU A 794 -20.367 1.417 5.207 1.00 0.00 C ATOM 308 C GLU A 794 -19.588 0.205 5.701 1.00 0.00 C ATOM 309 O GLU A 794 -19.229 -0.670 4.913 1.00 0.00 O ATOM 310 CB GLU A 794 -21.779 1.413 5.803 1.00 0.00 C ATOM 311 CG GLU A 794 -22.082 2.619 6.675 1.00 0.00 C ATOM 312 CD GLU A 794 -21.312 2.594 7.977 1.00 0.00 C ATOM 313 OE1 GLU A 794 -20.078 2.773 7.945 1.00 0.00 O ATOM 314 OE2 GLU A 794 -21.932 2.388 9.039 1.00 0.00 O ATOM 0 H GLU A 794 -20.943 0.636 3.353 1.00 0.00 H new ATOM 0 HA GLU A 794 -19.845 2.317 5.531 1.00 0.00 H new ATOM 0 HB2 GLU A 794 -22.505 1.372 4.991 1.00 0.00 H new ATOM 0 HB3 GLU A 794 -21.911 0.507 6.394 1.00 0.00 H new ATOM 0 HG2 GLU A 794 -21.838 3.530 6.129 1.00 0.00 H new ATOM 0 HG3 GLU A 794 -23.151 2.651 6.888 1.00 0.00 H new ATOM 321 N SER A 795 -19.327 0.179 7.006 1.00 0.00 N ATOM 322 CA SER A 795 -18.650 -0.940 7.654 1.00 0.00 C ATOM 323 C SER A 795 -17.174 -1.017 7.258 1.00 0.00 C ATOM 324 O SER A 795 -16.834 -1.477 6.165 1.00 0.00 O ATOM 325 CB SER A 795 -19.353 -2.265 7.329 1.00 0.00 C ATOM 326 OG SER A 795 -20.264 -2.637 8.352 1.00 0.00 O ATOM 0 H SER A 795 -19.579 0.934 7.644 1.00 0.00 H new ATOM 0 HA SER A 795 -18.700 -0.767 8.729 1.00 0.00 H new ATOM 0 HB2 SER A 795 -19.886 -2.173 6.383 1.00 0.00 H new ATOM 0 HB3 SER A 795 -18.609 -3.051 7.200 1.00 0.00 H new ATOM 0 HG SER A 795 -20.696 -3.484 8.113 1.00 0.00 H new ATOM 332 N PRO A 796 -16.275 -0.553 8.146 1.00 0.00 N ATOM 333 CA PRO A 796 -14.826 -0.715 7.968 1.00 0.00 C ATOM 334 C PRO A 796 -14.429 -2.186 7.872 1.00 0.00 C ATOM 335 O PRO A 796 -15.224 -3.075 8.186 1.00 0.00 O ATOM 336 CB PRO A 796 -14.223 -0.078 9.225 1.00 0.00 C ATOM 337 CG PRO A 796 -15.347 0.021 10.200 1.00 0.00 C ATOM 338 CD PRO A 796 -16.596 0.179 9.382 1.00 0.00 C ATOM 0 HA PRO A 796 -14.476 -0.255 7.044 1.00 0.00 H new ATOM 0 HB2 PRO A 796 -13.411 -0.687 9.623 1.00 0.00 H new ATOM 0 HB3 PRO A 796 -13.806 0.905 9.005 1.00 0.00 H new ATOM 0 HG2 PRO A 796 -15.401 -0.871 10.825 1.00 0.00 H new ATOM 0 HG3 PRO A 796 -15.209 0.871 10.869 1.00 0.00 H new ATOM 0 HD2 PRO A 796 -17.465 -0.242 9.887 1.00 0.00 H new ATOM 0 HD3 PRO A 796 -16.819 1.227 9.184 1.00 0.00 H new ATOM 346 N LEU A 797 -13.197 -2.432 7.452 1.00 0.00 N ATOM 347 CA LEU A 797 -12.722 -3.788 7.220 1.00 0.00 C ATOM 348 C LEU A 797 -12.431 -4.504 8.540 1.00 0.00 C ATOM 349 O LEU A 797 -13.325 -4.694 9.366 1.00 0.00 O ATOM 350 CB LEU A 797 -11.473 -3.763 6.330 1.00 0.00 C ATOM 351 CG LEU A 797 -11.413 -2.613 5.319 1.00 0.00 C ATOM 352 CD1 LEU A 797 -10.173 -1.762 5.552 1.00 0.00 C ATOM 353 CD2 LEU A 797 -11.433 -3.153 3.897 1.00 0.00 C ATOM 0 H LEU A 797 -12.505 -1.706 7.264 1.00 0.00 H new ATOM 0 HA LEU A 797 -13.507 -4.344 6.708 1.00 0.00 H new ATOM 0 HB2 LEU A 797 -10.592 -3.709 6.970 1.00 0.00 H new ATOM 0 HB3 LEU A 797 -11.415 -4.706 5.787 1.00 0.00 H new ATOM 0 HG LEU A 797 -12.292 -1.983 5.460 1.00 0.00 H new ATOM 0 HD11 LEU A 797 -10.147 -0.950 4.825 1.00 0.00 H new ATOM 0 HD12 LEU A 797 -10.201 -1.346 6.559 1.00 0.00 H new ATOM 0 HD13 LEU A 797 -9.282 -2.379 5.439 1.00 0.00 H new ATOM 0 HD21 LEU A 797 -11.390 -2.323 3.192 1.00 0.00 H new ATOM 0 HD22 LEU A 797 -10.573 -3.805 3.743 1.00 0.00 H new ATOM 0 HD23 LEU A 797 -12.351 -3.719 3.736 1.00 0.00 H new ATOM 365 N GLY A 798 -11.185 -4.892 8.738 1.00 0.00 N ATOM 366 CA GLY A 798 -10.821 -5.630 9.929 1.00 0.00 C ATOM 367 C GLY A 798 -11.016 -7.118 9.736 1.00 0.00 C ATOM 368 O GLY A 798 -11.638 -7.787 10.562 1.00 0.00 O ATOM 0 H GLY A 798 -10.415 -4.710 8.094 1.00 0.00 H new ATOM 0 HA2 GLY A 798 -9.780 -5.427 10.181 1.00 0.00 H new ATOM 0 HA3 GLY A 798 -11.425 -5.288 10.770 1.00 0.00 H new ATOM 372 N GLY A 799 -10.496 -7.631 8.629 1.00 0.00 N ATOM 373 CA GLY A 799 -10.628 -9.040 8.321 1.00 0.00 C ATOM 374 C GLY A 799 -10.428 -9.322 6.848 1.00 0.00 C ATOM 375 O GLY A 799 -9.540 -10.092 6.469 1.00 0.00 O ATOM 0 H GLY A 799 -9.981 -7.091 7.934 1.00 0.00 H new ATOM 0 HA2 GLY A 799 -9.899 -9.607 8.900 1.00 0.00 H new ATOM 0 HA3 GLY A 799 -11.616 -9.386 8.625 1.00 0.00 H new ATOM 379 N ASP A 800 -11.251 -8.702 6.013 1.00 0.00 N ATOM 380 CA ASP A 800 -11.143 -8.858 4.565 1.00 0.00 C ATOM 381 C ASP A 800 -10.833 -7.516 3.911 1.00 0.00 C ATOM 382 O ASP A 800 -11.731 -6.810 3.442 1.00 0.00 O ATOM 383 CB ASP A 800 -12.430 -9.452 3.975 1.00 0.00 C ATOM 384 CG ASP A 800 -12.328 -9.738 2.481 1.00 0.00 C ATOM 385 OD1 ASP A 800 -11.203 -9.697 1.929 1.00 0.00 O ATOM 386 OD2 ASP A 800 -13.379 -10.005 1.852 1.00 0.00 O ATOM 0 H ASP A 800 -12.004 -8.083 6.313 1.00 0.00 H new ATOM 0 HA ASP A 800 -10.326 -9.550 4.359 1.00 0.00 H new ATOM 0 HB2 ASP A 800 -12.670 -10.377 4.500 1.00 0.00 H new ATOM 0 HB3 ASP A 800 -13.255 -8.762 4.151 1.00 0.00 H new ATOM 391 N GLU A 801 -9.559 -7.161 3.910 1.00 0.00 N ATOM 392 CA GLU A 801 -9.092 -5.940 3.272 1.00 0.00 C ATOM 393 C GLU A 801 -8.871 -6.199 1.791 1.00 0.00 C ATOM 394 O GLU A 801 -8.903 -5.284 0.964 1.00 0.00 O ATOM 395 CB GLU A 801 -7.784 -5.470 3.918 1.00 0.00 C ATOM 396 CG GLU A 801 -7.956 -4.895 5.318 1.00 0.00 C ATOM 397 CD GLU A 801 -8.164 -5.963 6.372 1.00 0.00 C ATOM 398 OE1 GLU A 801 -7.312 -6.872 6.487 1.00 0.00 O ATOM 399 OE2 GLU A 801 -9.190 -5.905 7.080 1.00 0.00 O ATOM 0 H GLU A 801 -8.820 -7.709 4.350 1.00 0.00 H new ATOM 0 HA GLU A 801 -9.843 -5.161 3.399 1.00 0.00 H new ATOM 0 HB2 GLU A 801 -7.091 -6.310 3.964 1.00 0.00 H new ATOM 0 HB3 GLU A 801 -7.327 -4.714 3.280 1.00 0.00 H new ATOM 0 HG2 GLU A 801 -7.076 -4.306 5.574 1.00 0.00 H new ATOM 0 HG3 GLU A 801 -8.808 -4.215 5.324 1.00 0.00 H new ATOM 406 N ASN A 802 -8.669 -7.471 1.472 1.00 0.00 N ATOM 407 CA ASN A 802 -8.392 -7.902 0.110 1.00 0.00 C ATOM 408 C ASN A 802 -9.567 -7.580 -0.811 1.00 0.00 C ATOM 409 O ASN A 802 -9.370 -7.262 -1.981 1.00 0.00 O ATOM 410 CB ASN A 802 -8.063 -9.404 0.092 1.00 0.00 C ATOM 411 CG ASN A 802 -8.908 -10.207 -0.882 1.00 0.00 C ATOM 412 OD1 ASN A 802 -8.560 -10.351 -2.053 1.00 0.00 O ATOM 413 ND2 ASN A 802 -10.028 -10.731 -0.404 1.00 0.00 N ATOM 0 H ASN A 802 -8.693 -8.232 2.151 1.00 0.00 H new ATOM 0 HA ASN A 802 -7.525 -7.356 -0.263 1.00 0.00 H new ATOM 0 HB2 ASN A 802 -7.011 -9.533 -0.163 1.00 0.00 H new ATOM 0 HB3 ASN A 802 -8.200 -9.808 1.095 1.00 0.00 H new ATOM 0 HD21 ASN A 802 -10.637 -11.277 -1.014 1.00 0.00 H new ATOM 0 HD22 ASN A 802 -10.281 -10.588 0.574 1.00 0.00 H new ATOM 420 N ALA A 803 -10.782 -7.654 -0.276 1.00 0.00 N ATOM 421 CA ALA A 803 -11.978 -7.321 -1.041 1.00 0.00 C ATOM 422 C ALA A 803 -11.908 -5.898 -1.583 1.00 0.00 C ATOM 423 O ALA A 803 -12.098 -5.668 -2.777 1.00 0.00 O ATOM 424 CB ALA A 803 -13.223 -7.493 -0.184 1.00 0.00 C ATOM 0 H ALA A 803 -10.964 -7.942 0.685 1.00 0.00 H new ATOM 0 HA ALA A 803 -12.033 -8.005 -1.888 1.00 0.00 H new ATOM 0 HB1 ALA A 803 -14.106 -7.240 -0.771 1.00 0.00 H new ATOM 0 HB2 ALA A 803 -13.294 -8.528 0.151 1.00 0.00 H new ATOM 0 HB3 ALA A 803 -13.162 -6.834 0.682 1.00 0.00 H new ATOM 430 N GLN A 804 -11.601 -4.948 -0.706 1.00 0.00 N ATOM 431 CA GLN A 804 -11.548 -3.545 -1.097 1.00 0.00 C ATOM 432 C GLN A 804 -10.346 -3.287 -1.994 1.00 0.00 C ATOM 433 O GLN A 804 -10.436 -2.548 -2.974 1.00 0.00 O ATOM 434 CB GLN A 804 -11.489 -2.641 0.134 1.00 0.00 C ATOM 435 CG GLN A 804 -12.684 -1.709 0.265 1.00 0.00 C ATOM 436 CD GLN A 804 -12.565 -0.474 -0.608 1.00 0.00 C ATOM 437 OE1 GLN A 804 -12.905 -0.494 -1.792 1.00 0.00 O ATOM 438 NE2 GLN A 804 -12.087 0.612 -0.025 1.00 0.00 N ATOM 0 H GLN A 804 -11.386 -5.123 0.276 1.00 0.00 H new ATOM 0 HA GLN A 804 -12.457 -3.314 -1.653 1.00 0.00 H new ATOM 0 HB2 GLN A 804 -11.424 -3.262 1.027 1.00 0.00 H new ATOM 0 HB3 GLN A 804 -10.577 -2.045 0.093 1.00 0.00 H new ATOM 0 HG2 GLN A 804 -13.592 -2.250 -0.001 1.00 0.00 H new ATOM 0 HG3 GLN A 804 -12.788 -1.404 1.306 1.00 0.00 H new ATOM 0 HE21 GLN A 804 -11.817 0.586 0.958 1.00 0.00 H new ATOM 0 HE22 GLN A 804 -11.988 1.476 -0.558 1.00 0.00 H new ATOM 447 N LEU A 805 -9.227 -3.922 -1.662 1.00 0.00 N ATOM 448 CA LEU A 805 -8.005 -3.786 -2.446 1.00 0.00 C ATOM 449 C LEU A 805 -8.199 -4.358 -3.851 1.00 0.00 C ATOM 450 O LEU A 805 -7.639 -3.857 -4.826 1.00 0.00 O ATOM 451 CB LEU A 805 -6.847 -4.488 -1.724 1.00 0.00 C ATOM 452 CG LEU A 805 -5.824 -5.186 -2.606 1.00 0.00 C ATOM 453 CD1 LEU A 805 -4.560 -4.348 -2.703 1.00 0.00 C ATOM 454 CD2 LEU A 805 -5.504 -6.567 -2.058 1.00 0.00 C ATOM 0 H LEU A 805 -9.141 -4.537 -0.853 1.00 0.00 H new ATOM 0 HA LEU A 805 -7.764 -2.728 -2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 805 -6.326 -3.749 -1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 805 -7.268 -5.225 -1.040 1.00 0.00 H new ATOM 0 HG LEU A 805 -6.245 -5.302 -3.605 1.00 0.00 H new ATOM 0 HD11 LEU A 805 -3.834 -4.857 -3.337 1.00 0.00 H new ATOM 0 HD12 LEU A 805 -4.800 -3.376 -3.134 1.00 0.00 H new ATOM 0 HD13 LEU A 805 -4.138 -4.209 -1.708 1.00 0.00 H new ATOM 0 HD21 LEU A 805 -4.770 -7.053 -2.701 1.00 0.00 H new ATOM 0 HD22 LEU A 805 -5.098 -6.474 -1.051 1.00 0.00 H new ATOM 0 HD23 LEU A 805 -6.414 -7.167 -2.028 1.00 0.00 H new ATOM 466 N HIS A 806 -9.005 -5.405 -3.944 1.00 0.00 N ATOM 467 CA HIS A 806 -9.314 -6.027 -5.222 1.00 0.00 C ATOM 468 C HIS A 806 -10.283 -5.159 -6.021 1.00 0.00 C ATOM 469 O HIS A 806 -10.091 -4.939 -7.216 1.00 0.00 O ATOM 470 CB HIS A 806 -9.916 -7.419 -5.009 1.00 0.00 C ATOM 471 CG HIS A 806 -9.567 -8.395 -6.087 1.00 0.00 C ATOM 472 ND1 HIS A 806 -9.953 -9.717 -6.062 1.00 0.00 N ATOM 473 CD2 HIS A 806 -8.868 -8.232 -7.231 1.00 0.00 C ATOM 474 CE1 HIS A 806 -9.502 -10.325 -7.141 1.00 0.00 C ATOM 475 NE2 HIS A 806 -8.843 -9.445 -7.869 1.00 0.00 N ATOM 0 H HIS A 806 -9.460 -5.844 -3.143 1.00 0.00 H new ATOM 0 HA HIS A 806 -8.386 -6.126 -5.785 1.00 0.00 H new ATOM 0 HB2 HIS A 806 -9.574 -7.811 -4.051 1.00 0.00 H new ATOM 0 HB3 HIS A 806 -11.001 -7.331 -4.948 1.00 0.00 H new ATOM 0 HD2 HIS A 806 -8.413 -7.316 -7.579 1.00 0.00 H new ATOM 0 HE1 HIS A 806 -9.647 -11.367 -7.387 1.00 0.00 H new ATOM 0 HE2 HIS A 806 -8.388 -9.636 -8.762 1.00 0.00 H new ATOM 484 N ALA A 807 -11.310 -4.659 -5.344 1.00 0.00 N ATOM 485 CA ALA A 807 -12.348 -3.856 -5.984 1.00 0.00 C ATOM 486 C ALA A 807 -11.787 -2.559 -6.562 1.00 0.00 C ATOM 487 O ALA A 807 -12.251 -2.083 -7.597 1.00 0.00 O ATOM 488 CB ALA A 807 -13.460 -3.552 -4.993 1.00 0.00 C ATOM 0 H ALA A 807 -11.448 -4.797 -4.343 1.00 0.00 H new ATOM 0 HA ALA A 807 -12.752 -4.438 -6.813 1.00 0.00 H new ATOM 0 HB1 ALA A 807 -14.229 -2.953 -5.481 1.00 0.00 H new ATOM 0 HB2 ALA A 807 -13.898 -4.486 -4.640 1.00 0.00 H new ATOM 0 HB3 ALA A 807 -13.052 -2.999 -4.147 1.00 0.00 H new ATOM 494 N SER A 808 -10.788 -1.991 -5.898 1.00 0.00 N ATOM 495 CA SER A 808 -10.193 -0.741 -6.350 1.00 0.00 C ATOM 496 C SER A 808 -9.197 -0.983 -7.483 1.00 0.00 C ATOM 497 O SER A 808 -8.670 -0.038 -8.071 1.00 0.00 O ATOM 498 CB SER A 808 -9.493 -0.045 -5.182 1.00 0.00 C ATOM 499 OG SER A 808 -8.818 -0.985 -4.364 1.00 0.00 O ATOM 0 H SER A 808 -10.375 -2.375 -5.048 1.00 0.00 H new ATOM 0 HA SER A 808 -10.991 -0.102 -6.728 1.00 0.00 H new ATOM 0 HB2 SER A 808 -8.782 0.688 -5.564 1.00 0.00 H new ATOM 0 HB3 SER A 808 -10.225 0.501 -4.587 1.00 0.00 H new ATOM 0 HG SER A 808 -9.406 -1.263 -3.631 1.00 0.00 H new ATOM 505 N GLY A 809 -8.938 -2.252 -7.784 1.00 0.00 N ATOM 506 CA GLY A 809 -7.948 -2.590 -8.788 1.00 0.00 C ATOM 507 C GLY A 809 -6.539 -2.429 -8.257 1.00 0.00 C ATOM 508 O GLY A 809 -5.567 -2.464 -9.012 1.00 0.00 O ATOM 0 H GLY A 809 -9.397 -3.052 -7.349 1.00 0.00 H new ATOM 0 HA2 GLY A 809 -8.098 -3.618 -9.117 1.00 0.00 H new ATOM 0 HA3 GLY A 809 -8.083 -1.953 -9.662 1.00 0.00 H new ATOM 512 N TYR A 810 -6.429 -2.267 -6.945 1.00 0.00 N ATOM 513 CA TYR A 810 -5.141 -2.067 -6.299 1.00 0.00 C ATOM 514 C TYR A 810 -4.426 -3.398 -6.111 1.00 0.00 C ATOM 515 O TYR A 810 -3.259 -3.439 -5.722 1.00 0.00 O ATOM 516 CB TYR A 810 -5.323 -1.365 -4.953 1.00 0.00 C ATOM 517 CG TYR A 810 -5.128 0.136 -5.016 1.00 0.00 C ATOM 518 CD1 TYR A 810 -4.574 0.741 -6.138 1.00 0.00 C ATOM 519 CD2 TYR A 810 -5.494 0.944 -3.949 1.00 0.00 C ATOM 520 CE1 TYR A 810 -4.394 2.110 -6.197 1.00 0.00 C ATOM 521 CE2 TYR A 810 -5.317 2.315 -3.999 1.00 0.00 C ATOM 522 CZ TYR A 810 -4.766 2.892 -5.125 1.00 0.00 C ATOM 523 OH TYR A 810 -4.587 4.257 -5.180 1.00 0.00 O ATOM 0 H TYR A 810 -7.223 -2.271 -6.305 1.00 0.00 H new ATOM 0 HA TYR A 810 -4.528 -1.434 -6.940 1.00 0.00 H new ATOM 0 HB2 TYR A 810 -6.323 -1.577 -4.576 1.00 0.00 H new ATOM 0 HB3 TYR A 810 -4.617 -1.784 -4.236 1.00 0.00 H new ATOM 0 HD1 TYR A 810 -4.279 0.130 -6.979 1.00 0.00 H new ATOM 0 HD2 TYR A 810 -5.924 0.495 -3.066 1.00 0.00 H new ATOM 0 HE1 TYR A 810 -3.964 2.564 -7.078 1.00 0.00 H new ATOM 0 HE2 TYR A 810 -5.609 2.931 -3.161 1.00 0.00 H new ATOM 0 HH TYR A 810 -4.901 4.662 -4.345 1.00 0.00 H new ATOM 533 N TYR A 811 -5.140 -4.484 -6.389 1.00 0.00 N ATOM 534 CA TYR A 811 -4.559 -5.822 -6.365 1.00 0.00 C ATOM 535 C TYR A 811 -3.349 -5.880 -7.286 1.00 0.00 C ATOM 536 O TYR A 811 -2.343 -6.511 -6.968 1.00 0.00 O ATOM 537 CB TYR A 811 -5.598 -6.854 -6.806 1.00 0.00 C ATOM 538 CG TYR A 811 -5.553 -8.156 -6.040 1.00 0.00 C ATOM 539 CD1 TYR A 811 -6.255 -8.306 -4.853 1.00 0.00 C ATOM 540 CD2 TYR A 811 -4.827 -9.241 -6.515 1.00 0.00 C ATOM 541 CE1 TYR A 811 -6.232 -9.497 -4.156 1.00 0.00 C ATOM 542 CE2 TYR A 811 -4.803 -10.438 -5.826 1.00 0.00 C ATOM 543 CZ TYR A 811 -5.508 -10.560 -4.647 1.00 0.00 C ATOM 544 OH TYR A 811 -5.497 -11.751 -3.962 1.00 0.00 O ATOM 0 H TYR A 811 -6.130 -4.463 -6.635 1.00 0.00 H new ATOM 0 HA TYR A 811 -4.243 -6.050 -5.347 1.00 0.00 H new ATOM 0 HB2 TYR A 811 -6.592 -6.419 -6.700 1.00 0.00 H new ATOM 0 HB3 TYR A 811 -5.454 -7.065 -7.866 1.00 0.00 H new ATOM 0 HD1 TYR A 811 -6.829 -7.477 -4.468 1.00 0.00 H new ATOM 0 HD2 TYR A 811 -4.273 -9.147 -7.437 1.00 0.00 H new ATOM 0 HE1 TYR A 811 -6.779 -9.595 -3.230 1.00 0.00 H new ATOM 0 HE2 TYR A 811 -4.235 -11.273 -6.208 1.00 0.00 H new ATOM 0 HH TYR A 811 -4.818 -11.716 -3.256 1.00 0.00 H new ATOM 554 N ALA A 812 -3.454 -5.191 -8.419 1.00 0.00 N ATOM 555 CA ALA A 812 -2.365 -5.106 -9.381 1.00 0.00 C ATOM 556 C ALA A 812 -1.129 -4.479 -8.747 1.00 0.00 C ATOM 557 O ALA A 812 -0.019 -4.978 -8.907 1.00 0.00 O ATOM 558 CB ALA A 812 -2.805 -4.302 -10.594 1.00 0.00 C ATOM 0 H ALA A 812 -4.293 -4.679 -8.693 1.00 0.00 H new ATOM 0 HA ALA A 812 -2.106 -6.115 -9.700 1.00 0.00 H new ATOM 0 HB1 ALA A 812 -1.984 -4.243 -11.309 1.00 0.00 H new ATOM 0 HB2 ALA A 812 -3.660 -4.789 -11.063 1.00 0.00 H new ATOM 0 HB3 ALA A 812 -3.087 -3.296 -10.281 1.00 0.00 H new ATOM 564 N LEU A 813 -1.338 -3.394 -8.008 1.00 0.00 N ATOM 565 CA LEU A 813 -0.247 -2.698 -7.334 1.00 0.00 C ATOM 566 C LEU A 813 0.337 -3.575 -6.233 1.00 0.00 C ATOM 567 O LEU A 813 1.549 -3.591 -6.008 1.00 0.00 O ATOM 568 CB LEU A 813 -0.749 -1.378 -6.743 1.00 0.00 C ATOM 569 CG LEU A 813 0.143 -0.166 -7.013 1.00 0.00 C ATOM 570 CD1 LEU A 813 -0.696 1.020 -7.463 1.00 0.00 C ATOM 571 CD2 LEU A 813 0.948 0.188 -5.774 1.00 0.00 C ATOM 0 H LEU A 813 -2.257 -2.976 -7.860 1.00 0.00 H new ATOM 0 HA LEU A 813 0.534 -2.483 -8.063 1.00 0.00 H new ATOM 0 HB2 LEU A 813 -1.743 -1.174 -7.141 1.00 0.00 H new ATOM 0 HB3 LEU A 813 -0.856 -1.498 -5.665 1.00 0.00 H new ATOM 0 HG LEU A 813 0.839 -0.419 -7.813 1.00 0.00 H new ATOM 0 HD11 LEU A 813 -0.046 1.875 -7.651 1.00 0.00 H new ATOM 0 HD12 LEU A 813 -1.230 0.762 -8.377 1.00 0.00 H new ATOM 0 HD13 LEU A 813 -1.414 1.275 -6.683 1.00 0.00 H new ATOM 0 HD21 LEU A 813 1.577 1.053 -5.984 1.00 0.00 H new ATOM 0 HD22 LEU A 813 0.269 0.423 -4.954 1.00 0.00 H new ATOM 0 HD23 LEU A 813 1.576 -0.658 -5.494 1.00 0.00 H new ATOM 583 N PHE A 814 -0.543 -4.313 -5.565 1.00 0.00 N ATOM 584 CA PHE A 814 -0.142 -5.211 -4.494 1.00 0.00 C ATOM 585 C PHE A 814 0.757 -6.322 -5.025 1.00 0.00 C ATOM 586 O PHE A 814 1.864 -6.518 -4.534 1.00 0.00 O ATOM 587 CB PHE A 814 -1.381 -5.815 -3.823 1.00 0.00 C ATOM 588 CG PHE A 814 -1.065 -6.793 -2.724 1.00 0.00 C ATOM 589 CD1 PHE A 814 -0.597 -6.351 -1.497 1.00 0.00 C ATOM 590 CD2 PHE A 814 -1.234 -8.155 -2.920 1.00 0.00 C ATOM 591 CE1 PHE A 814 -0.303 -7.247 -0.488 1.00 0.00 C ATOM 592 CE2 PHE A 814 -0.941 -9.055 -1.915 1.00 0.00 C ATOM 593 CZ PHE A 814 -0.474 -8.600 -0.698 1.00 0.00 C ATOM 0 H PHE A 814 -1.546 -4.305 -5.750 1.00 0.00 H new ATOM 0 HA PHE A 814 0.420 -4.636 -3.758 1.00 0.00 H new ATOM 0 HB2 PHE A 814 -1.990 -5.009 -3.414 1.00 0.00 H new ATOM 0 HB3 PHE A 814 -1.984 -6.317 -4.580 1.00 0.00 H new ATOM 0 HD1 PHE A 814 -0.460 -5.293 -1.328 1.00 0.00 H new ATOM 0 HD2 PHE A 814 -1.599 -8.516 -3.870 1.00 0.00 H new ATOM 0 HE1 PHE A 814 0.060 -6.889 0.464 1.00 0.00 H new ATOM 0 HE2 PHE A 814 -1.077 -10.114 -2.081 1.00 0.00 H new ATOM 0 HZ PHE A 814 -0.243 -9.303 0.089 1.00 0.00 H new ATOM 603 N VAL A 815 0.287 -7.030 -6.043 1.00 0.00 N ATOM 604 CA VAL A 815 1.022 -8.174 -6.571 1.00 0.00 C ATOM 605 C VAL A 815 2.257 -7.741 -7.358 1.00 0.00 C ATOM 606 O VAL A 815 3.159 -8.543 -7.593 1.00 0.00 O ATOM 607 CB VAL A 815 0.133 -9.069 -7.463 1.00 0.00 C ATOM 608 CG1 VAL A 815 -1.067 -9.578 -6.682 1.00 0.00 C ATOM 609 CG2 VAL A 815 -0.316 -8.327 -8.713 1.00 0.00 C ATOM 0 H VAL A 815 -0.594 -6.835 -6.518 1.00 0.00 H new ATOM 0 HA VAL A 815 1.343 -8.753 -5.705 1.00 0.00 H new ATOM 0 HB VAL A 815 0.729 -9.925 -7.779 1.00 0.00 H new ATOM 0 HG11 VAL A 815 -1.681 -10.206 -7.327 1.00 0.00 H new ATOM 0 HG12 VAL A 815 -0.724 -10.161 -5.827 1.00 0.00 H new ATOM 0 HG13 VAL A 815 -1.658 -8.732 -6.331 1.00 0.00 H new ATOM 0 HG21 VAL A 815 -0.940 -8.982 -9.321 1.00 0.00 H new ATOM 0 HG22 VAL A 815 -0.888 -7.445 -8.427 1.00 0.00 H new ATOM 0 HG23 VAL A 815 0.558 -8.022 -9.289 1.00 0.00 H new ATOM 619 N ASP A 816 2.301 -6.473 -7.750 1.00 0.00 N ATOM 620 CA ASP A 816 3.411 -5.953 -8.543 1.00 0.00 C ATOM 621 C ASP A 816 4.665 -5.755 -7.694 1.00 0.00 C ATOM 622 O ASP A 816 5.671 -6.437 -7.894 1.00 0.00 O ATOM 623 CB ASP A 816 3.025 -4.630 -9.210 1.00 0.00 C ATOM 624 CG ASP A 816 4.226 -3.879 -9.755 1.00 0.00 C ATOM 625 OD1 ASP A 816 4.761 -4.284 -10.809 1.00 0.00 O ATOM 626 OD2 ASP A 816 4.645 -2.882 -9.130 1.00 0.00 O ATOM 0 H ASP A 816 1.581 -5.785 -7.532 1.00 0.00 H new ATOM 0 HA ASP A 816 3.633 -6.692 -9.312 1.00 0.00 H new ATOM 0 HB2 ASP A 816 2.325 -4.827 -10.022 1.00 0.00 H new ATOM 0 HB3 ASP A 816 2.505 -4.001 -8.487 1.00 0.00 H new ATOM 631 N THR A 817 4.604 -4.836 -6.740 1.00 0.00 N ATOM 632 CA THR A 817 5.798 -4.450 -6.006 1.00 0.00 C ATOM 633 C THR A 817 5.948 -5.200 -4.682 1.00 0.00 C ATOM 634 O THR A 817 7.057 -5.574 -4.322 1.00 0.00 O ATOM 635 CB THR A 817 5.853 -2.912 -5.782 1.00 0.00 C ATOM 636 OG1 THR A 817 7.143 -2.411 -6.161 1.00 0.00 O ATOM 637 CG2 THR A 817 5.567 -2.515 -4.338 1.00 0.00 C ATOM 0 H THR A 817 3.752 -4.350 -6.460 1.00 0.00 H new ATOM 0 HA THR A 817 6.646 -4.737 -6.628 1.00 0.00 H new ATOM 0 HB THR A 817 5.072 -2.474 -6.404 1.00 0.00 H new ATOM 0 HG1 THR A 817 7.796 -2.627 -5.463 1.00 0.00 H new ATOM 0 HG21 THR A 817 5.619 -1.431 -4.242 1.00 0.00 H new ATOM 0 HG22 THR A 817 4.571 -2.857 -4.057 1.00 0.00 H new ATOM 0 HG23 THR A 817 6.306 -2.974 -3.681 1.00 0.00 H new ATOM 645 N VAL A 818 4.841 -5.464 -3.986 1.00 0.00 N ATOM 646 CA VAL A 818 4.914 -5.975 -2.616 1.00 0.00 C ATOM 647 C VAL A 818 5.698 -7.297 -2.517 1.00 0.00 C ATOM 648 O VAL A 818 6.679 -7.364 -1.780 1.00 0.00 O ATOM 649 CB VAL A 818 3.515 -6.131 -1.976 1.00 0.00 C ATOM 650 CG1 VAL A 818 3.625 -6.667 -0.556 1.00 0.00 C ATOM 651 CG2 VAL A 818 2.776 -4.800 -1.982 1.00 0.00 C ATOM 0 H VAL A 818 3.894 -5.335 -4.343 1.00 0.00 H new ATOM 0 HA VAL A 818 5.464 -5.222 -2.051 1.00 0.00 H new ATOM 0 HB VAL A 818 2.949 -6.849 -2.570 1.00 0.00 H new ATOM 0 HG11 VAL A 818 2.628 -6.768 -0.127 1.00 0.00 H new ATOM 0 HG12 VAL A 818 4.114 -7.641 -0.572 1.00 0.00 H new ATOM 0 HG13 VAL A 818 4.212 -5.976 0.049 1.00 0.00 H new ATOM 0 HG21 VAL A 818 1.793 -4.927 -1.528 1.00 0.00 H new ATOM 0 HG22 VAL A 818 3.346 -4.065 -1.413 1.00 0.00 H new ATOM 0 HG23 VAL A 818 2.659 -4.453 -3.009 1.00 0.00 H new ATOM 661 N PRO A 819 5.306 -8.362 -3.255 1.00 0.00 N ATOM 662 CA PRO A 819 6.001 -9.658 -3.182 1.00 0.00 C ATOM 663 C PRO A 819 7.478 -9.554 -3.566 1.00 0.00 C ATOM 664 O PRO A 819 8.348 -10.143 -2.912 1.00 0.00 O ATOM 665 CB PRO A 819 5.250 -10.536 -4.193 1.00 0.00 C ATOM 666 CG PRO A 819 3.926 -9.878 -4.364 1.00 0.00 C ATOM 667 CD PRO A 819 4.175 -8.407 -4.199 1.00 0.00 C ATOM 0 HA PRO A 819 5.996 -10.056 -2.167 1.00 0.00 H new ATOM 0 HB2 PRO A 819 5.787 -10.595 -5.140 1.00 0.00 H new ATOM 0 HB3 PRO A 819 5.139 -11.556 -3.825 1.00 0.00 H new ATOM 0 HG2 PRO A 819 3.505 -10.095 -5.346 1.00 0.00 H new ATOM 0 HG3 PRO A 819 3.212 -10.239 -3.624 1.00 0.00 H new ATOM 0 HD2 PRO A 819 4.423 -7.931 -5.148 1.00 0.00 H new ATOM 0 HD3 PRO A 819 3.299 -7.892 -3.804 1.00 0.00 H new ATOM 675 N ASP A 820 7.762 -8.789 -4.614 1.00 0.00 N ATOM 676 CA ASP A 820 9.130 -8.654 -5.099 1.00 0.00 C ATOM 677 C ASP A 820 9.953 -7.787 -4.157 1.00 0.00 C ATOM 678 O ASP A 820 11.142 -8.026 -3.964 1.00 0.00 O ATOM 679 CB ASP A 820 9.166 -8.084 -6.517 1.00 0.00 C ATOM 680 CG ASP A 820 10.077 -8.891 -7.422 1.00 0.00 C ATOM 681 OD1 ASP A 820 11.314 -8.825 -7.243 1.00 0.00 O ATOM 682 OD2 ASP A 820 9.563 -9.615 -8.298 1.00 0.00 O ATOM 0 H ASP A 820 7.069 -8.257 -5.140 1.00 0.00 H new ATOM 0 HA ASP A 820 9.569 -9.651 -5.127 1.00 0.00 H new ATOM 0 HB2 ASP A 820 8.158 -8.074 -6.931 1.00 0.00 H new ATOM 0 HB3 ASP A 820 9.508 -7.050 -6.485 1.00 0.00 H new ATOM 687 N ASP A 821 9.315 -6.791 -3.558 1.00 0.00 N ATOM 688 CA ASP A 821 9.976 -5.954 -2.562 1.00 0.00 C ATOM 689 C ASP A 821 10.312 -6.785 -1.333 1.00 0.00 C ATOM 690 O ASP A 821 11.348 -6.588 -0.704 1.00 0.00 O ATOM 691 CB ASP A 821 9.092 -4.765 -2.164 1.00 0.00 C ATOM 692 CG ASP A 821 9.518 -3.466 -2.827 1.00 0.00 C ATOM 693 OD1 ASP A 821 10.370 -2.748 -2.260 1.00 0.00 O ATOM 694 OD2 ASP A 821 9.008 -3.157 -3.932 1.00 0.00 O ATOM 0 H ASP A 821 8.343 -6.542 -3.742 1.00 0.00 H new ATOM 0 HA ASP A 821 10.894 -5.562 -2.999 1.00 0.00 H new ATOM 0 HB2 ASP A 821 8.058 -4.982 -2.431 1.00 0.00 H new ATOM 0 HB3 ASP A 821 9.122 -4.642 -1.081 1.00 0.00 H new ATOM 699 N VAL A 822 9.436 -7.735 -1.008 1.00 0.00 N ATOM 700 CA VAL A 822 9.669 -8.644 0.110 1.00 0.00 C ATOM 701 C VAL A 822 10.899 -9.519 -0.142 1.00 0.00 C ATOM 702 O VAL A 822 11.755 -9.659 0.733 1.00 0.00 O ATOM 703 CB VAL A 822 8.438 -9.539 0.389 1.00 0.00 C ATOM 704 CG1 VAL A 822 8.784 -10.663 1.359 1.00 0.00 C ATOM 705 CG2 VAL A 822 7.289 -8.708 0.937 1.00 0.00 C ATOM 0 H VAL A 822 8.559 -7.894 -1.504 1.00 0.00 H new ATOM 0 HA VAL A 822 9.847 -8.026 0.990 1.00 0.00 H new ATOM 0 HB VAL A 822 8.130 -9.987 -0.555 1.00 0.00 H new ATOM 0 HG11 VAL A 822 7.900 -11.276 1.536 1.00 0.00 H new ATOM 0 HG12 VAL A 822 9.574 -11.281 0.933 1.00 0.00 H new ATOM 0 HG13 VAL A 822 9.126 -10.237 2.302 1.00 0.00 H new ATOM 0 HG21 VAL A 822 6.432 -9.354 1.127 1.00 0.00 H new ATOM 0 HG22 VAL A 822 7.597 -8.230 1.867 1.00 0.00 H new ATOM 0 HG23 VAL A 822 7.013 -7.944 0.210 1.00 0.00 H new ATOM 715 N LYS A 823 11.006 -10.096 -1.338 1.00 0.00 N ATOM 716 CA LYS A 823 12.173 -10.916 -1.661 1.00 0.00 C ATOM 717 C LYS A 823 13.417 -10.037 -1.807 1.00 0.00 C ATOM 718 O LYS A 823 14.543 -10.485 -1.579 1.00 0.00 O ATOM 719 CB LYS A 823 11.941 -11.776 -2.915 1.00 0.00 C ATOM 720 CG LYS A 823 11.796 -10.999 -4.213 1.00 0.00 C ATOM 721 CD LYS A 823 10.770 -11.648 -5.134 1.00 0.00 C ATOM 722 CE LYS A 823 11.422 -12.262 -6.366 1.00 0.00 C ATOM 723 NZ LYS A 823 12.358 -11.320 -7.036 1.00 0.00 N ATOM 0 H LYS A 823 10.316 -10.014 -2.085 1.00 0.00 H new ATOM 0 HA LYS A 823 12.336 -11.607 -0.834 1.00 0.00 H new ATOM 0 HB2 LYS A 823 12.773 -12.472 -3.018 1.00 0.00 H new ATOM 0 HB3 LYS A 823 11.042 -12.374 -2.765 1.00 0.00 H new ATOM 0 HG2 LYS A 823 11.495 -9.974 -3.995 1.00 0.00 H new ATOM 0 HG3 LYS A 823 12.760 -10.947 -4.718 1.00 0.00 H new ATOM 0 HD2 LYS A 823 10.228 -12.420 -4.587 1.00 0.00 H new ATOM 0 HD3 LYS A 823 10.037 -10.903 -5.444 1.00 0.00 H new ATOM 0 HE2 LYS A 823 11.962 -13.164 -6.078 1.00 0.00 H new ATOM 0 HE3 LYS A 823 10.648 -12.565 -7.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 823 12.320 -11.466 -8.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 823 12.084 -10.342 -6.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 823 13.326 -11.493 -6.698 1.00 0.00 H new ATOM 737 N ARG A 824 13.207 -8.774 -2.160 1.00 0.00 N ATOM 738 CA ARG A 824 14.286 -7.798 -2.179 1.00 0.00 C ATOM 739 C ARG A 824 14.744 -7.513 -0.751 1.00 0.00 C ATOM 740 O ARG A 824 15.936 -7.353 -0.495 1.00 0.00 O ATOM 741 CB ARG A 824 13.834 -6.506 -2.864 1.00 0.00 C ATOM 742 CG ARG A 824 13.897 -6.562 -4.385 1.00 0.00 C ATOM 743 CD ARG A 824 15.242 -6.089 -4.916 1.00 0.00 C ATOM 744 NE ARG A 824 15.597 -4.764 -4.409 1.00 0.00 N ATOM 745 CZ ARG A 824 16.482 -4.548 -3.440 1.00 0.00 C ATOM 746 NH1 ARG A 824 17.158 -5.565 -2.917 1.00 0.00 N ATOM 747 NH2 ARG A 824 16.710 -3.316 -3.008 1.00 0.00 N ATOM 0 H ARG A 824 12.298 -8.403 -2.437 1.00 0.00 H new ATOM 0 HA ARG A 824 15.122 -8.206 -2.747 1.00 0.00 H new ATOM 0 HB2 ARG A 824 12.811 -6.283 -2.560 1.00 0.00 H new ATOM 0 HB3 ARG A 824 14.457 -5.683 -2.514 1.00 0.00 H new ATOM 0 HG2 ARG A 824 13.714 -7.584 -4.718 1.00 0.00 H new ATOM 0 HG3 ARG A 824 13.104 -5.943 -4.804 1.00 0.00 H new ATOM 0 HD2 ARG A 824 16.015 -6.804 -4.634 1.00 0.00 H new ATOM 0 HD3 ARG A 824 15.213 -6.064 -6.005 1.00 0.00 H new ATOM 0 HE ARG A 824 15.137 -3.954 -4.825 1.00 0.00 H new ATOM 0 HH11 ARG A 824 16.999 -6.513 -3.259 1.00 0.00 H new ATOM 0 HH12 ARG A 824 17.836 -5.398 -2.174 1.00 0.00 H new ATOM 0 HH21 ARG A 824 16.206 -2.530 -3.419 1.00 0.00 H new ATOM 0 HH22 ARG A 824 17.389 -3.154 -2.265 1.00 0.00 H new ATOM 761 N LEU A 825 13.790 -7.464 0.177 1.00 0.00 N ATOM 762 CA LEU A 825 14.100 -7.350 1.600 1.00 0.00 C ATOM 763 C LEU A 825 14.926 -8.552 2.047 1.00 0.00 C ATOM 764 O LEU A 825 15.879 -8.414 2.811 1.00 0.00 O ATOM 765 CB LEU A 825 12.814 -7.259 2.435 1.00 0.00 C ATOM 766 CG LEU A 825 12.169 -5.874 2.499 1.00 0.00 C ATOM 767 CD1 LEU A 825 10.656 -5.992 2.545 1.00 0.00 C ATOM 768 CD2 LEU A 825 12.674 -5.099 3.706 1.00 0.00 C ATOM 0 H LEU A 825 12.793 -7.502 -0.033 1.00 0.00 H new ATOM 0 HA LEU A 825 14.675 -6.437 1.756 1.00 0.00 H new ATOM 0 HB2 LEU A 825 12.086 -7.961 2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 825 13.037 -7.584 3.451 1.00 0.00 H new ATOM 0 HG LEU A 825 12.449 -5.328 1.598 1.00 0.00 H new ATOM 0 HD11 LEU A 825 10.215 -4.996 2.590 1.00 0.00 H new ATOM 0 HD12 LEU A 825 10.304 -6.505 1.650 1.00 0.00 H new ATOM 0 HD13 LEU A 825 10.362 -6.560 3.428 1.00 0.00 H new ATOM 0 HD21 LEU A 825 12.202 -4.117 3.731 1.00 0.00 H new ATOM 0 HD22 LEU A 825 12.427 -5.644 4.617 1.00 0.00 H new ATOM 0 HD23 LEU A 825 13.755 -4.980 3.636 1.00 0.00 H new ATOM 780 N TYR A 826 14.552 -9.735 1.556 1.00 0.00 N ATOM 781 CA TYR A 826 15.330 -10.951 1.791 1.00 0.00 C ATOM 782 C TYR A 826 16.770 -10.745 1.337 1.00 0.00 C ATOM 783 O TYR A 826 17.716 -11.129 2.026 1.00 0.00 O ATOM 784 CB TYR A 826 14.738 -12.134 1.019 1.00 0.00 C ATOM 785 CG TYR A 826 13.599 -12.840 1.716 1.00 0.00 C ATOM 786 CD1 TYR A 826 13.768 -13.418 2.967 1.00 0.00 C ATOM 787 CD2 TYR A 826 12.354 -12.946 1.107 1.00 0.00 C ATOM 788 CE1 TYR A 826 12.729 -14.083 3.590 1.00 0.00 C ATOM 789 CE2 TYR A 826 11.312 -13.603 1.725 1.00 0.00 C ATOM 790 CZ TYR A 826 11.504 -14.170 2.965 1.00 0.00 C ATOM 791 OH TYR A 826 10.468 -14.832 3.578 1.00 0.00 O ATOM 0 H TYR A 826 13.714 -9.876 0.992 1.00 0.00 H new ATOM 0 HA TYR A 826 15.301 -11.166 2.859 1.00 0.00 H new ATOM 0 HB2 TYR A 826 14.388 -11.778 0.050 1.00 0.00 H new ATOM 0 HB3 TYR A 826 15.531 -12.857 0.826 1.00 0.00 H new ATOM 0 HD1 TYR A 826 14.726 -13.347 3.461 1.00 0.00 H new ATOM 0 HD2 TYR A 826 12.201 -12.506 0.133 1.00 0.00 H new ATOM 0 HE1 TYR A 826 12.876 -14.532 4.561 1.00 0.00 H new ATOM 0 HE2 TYR A 826 10.350 -13.673 1.239 1.00 0.00 H new ATOM 0 HH TYR A 826 10.564 -14.760 4.551 1.00 0.00 H new ATOM 801 N THR A 827 16.916 -10.110 0.179 1.00 0.00 N ATOM 802 CA THR A 827 18.219 -9.876 -0.418 1.00 0.00 C ATOM 803 C THR A 827 19.035 -8.911 0.435 1.00 0.00 C ATOM 804 O THR A 827 20.209 -9.146 0.716 1.00 0.00 O ATOM 805 CB THR A 827 18.065 -9.291 -1.837 1.00 0.00 C ATOM 806 OG1 THR A 827 17.045 -9.997 -2.559 1.00 0.00 O ATOM 807 CG2 THR A 827 19.371 -9.365 -2.610 1.00 0.00 C ATOM 0 H THR A 827 16.136 -9.746 -0.368 1.00 0.00 H new ATOM 0 HA THR A 827 18.738 -10.833 -0.475 1.00 0.00 H new ATOM 0 HB THR A 827 17.782 -8.244 -1.732 1.00 0.00 H new ATOM 0 HG1 THR A 827 16.192 -9.916 -2.084 1.00 0.00 H new ATOM 0 HG21 THR A 827 19.229 -8.945 -3.606 1.00 0.00 H new ATOM 0 HG22 THR A 827 20.138 -8.798 -2.083 1.00 0.00 H new ATOM 0 HG23 THR A 827 19.684 -10.405 -2.697 1.00 0.00 H new ATOM 815 N GLU A 828 18.388 -7.839 0.865 1.00 0.00 N ATOM 816 CA GLU A 828 19.045 -6.803 1.648 1.00 0.00 C ATOM 817 C GLU A 828 19.409 -7.310 3.040 1.00 0.00 C ATOM 818 O GLU A 828 20.496 -7.025 3.549 1.00 0.00 O ATOM 819 CB GLU A 828 18.143 -5.573 1.743 1.00 0.00 C ATOM 820 CG GLU A 828 18.777 -4.328 1.153 1.00 0.00 C ATOM 821 CD GLU A 828 18.698 -4.284 -0.361 1.00 0.00 C ATOM 822 OE1 GLU A 828 18.959 -5.320 -1.005 1.00 0.00 O ATOM 823 OE2 GLU A 828 18.387 -3.210 -0.920 1.00 0.00 O ATOM 0 H GLU A 828 17.400 -7.663 0.683 1.00 0.00 H new ATOM 0 HA GLU A 828 19.971 -6.527 1.144 1.00 0.00 H new ATOM 0 HB2 GLU A 828 17.205 -5.776 1.227 1.00 0.00 H new ATOM 0 HB3 GLU A 828 17.898 -5.389 2.789 1.00 0.00 H new ATOM 0 HG2 GLU A 828 18.284 -3.447 1.563 1.00 0.00 H new ATOM 0 HG3 GLU A 828 19.822 -4.279 1.458 1.00 0.00 H new ATOM 830 N ALA A 829 18.505 -8.072 3.645 1.00 0.00 N ATOM 831 CA ALA A 829 18.735 -8.630 4.970 1.00 0.00 C ATOM 832 C ALA A 829 19.879 -9.635 4.943 1.00 0.00 C ATOM 833 O ALA A 829 20.666 -9.719 5.886 1.00 0.00 O ATOM 834 CB ALA A 829 17.468 -9.286 5.498 1.00 0.00 C ATOM 0 H ALA A 829 17.603 -8.317 3.236 1.00 0.00 H new ATOM 0 HA ALA A 829 19.011 -7.815 5.639 1.00 0.00 H new ATOM 0 HB1 ALA A 829 17.657 -9.698 6.489 1.00 0.00 H new ATOM 0 HB2 ALA A 829 16.672 -8.544 5.560 1.00 0.00 H new ATOM 0 HB3 ALA A 829 17.165 -10.087 4.824 1.00 0.00 H new ATOM 840 N ALA A 830 19.976 -10.380 3.847 1.00 0.00 N ATOM 841 CA ALA A 830 21.006 -11.400 3.699 1.00 0.00 C ATOM 842 C ALA A 830 22.398 -10.781 3.611 1.00 0.00 C ATOM 843 O ALA A 830 23.390 -11.418 3.964 1.00 0.00 O ATOM 844 CB ALA A 830 20.730 -12.255 2.474 1.00 0.00 C ATOM 0 H ALA A 830 19.351 -10.295 3.046 1.00 0.00 H new ATOM 0 HA ALA A 830 20.978 -12.032 4.587 1.00 0.00 H new ATOM 0 HB1 ALA A 830 21.508 -13.013 2.376 1.00 0.00 H new ATOM 0 HB2 ALA A 830 19.761 -12.742 2.581 1.00 0.00 H new ATOM 0 HB3 ALA A 830 20.723 -11.625 1.585 1.00 0.00 H new ATOM 850 N THR A 831 22.475 -9.544 3.135 1.00 0.00 N ATOM 851 CA THR A 831 23.751 -8.847 3.040 1.00 0.00 C ATOM 852 C THR A 831 23.987 -7.950 4.256 1.00 0.00 C ATOM 853 O THR A 831 25.011 -7.269 4.343 1.00 0.00 O ATOM 854 CB THR A 831 23.836 -7.999 1.755 1.00 0.00 C ATOM 855 OG1 THR A 831 22.900 -8.480 0.780 1.00 0.00 O ATOM 856 CG2 THR A 831 25.237 -8.041 1.171 1.00 0.00 C ATOM 0 H THR A 831 21.672 -9.005 2.810 1.00 0.00 H new ATOM 0 HA THR A 831 24.526 -9.613 3.009 1.00 0.00 H new ATOM 0 HB THR A 831 23.593 -6.969 2.016 1.00 0.00 H new ATOM 0 HG1 THR A 831 22.962 -7.933 -0.031 1.00 0.00 H new ATOM 0 HG21 THR A 831 25.272 -7.436 0.265 1.00 0.00 H new ATOM 0 HG22 THR A 831 25.946 -7.647 1.899 1.00 0.00 H new ATOM 0 HG23 THR A 831 25.500 -9.071 0.929 1.00 0.00 H new ATOM 864 N SER A 832 23.034 -7.962 5.190 1.00 0.00 N ATOM 865 CA SER A 832 23.114 -7.165 6.415 1.00 0.00 C ATOM 866 C SER A 832 23.151 -5.673 6.087 1.00 0.00 C ATOM 867 O SER A 832 23.763 -4.875 6.799 1.00 0.00 O ATOM 868 CB SER A 832 24.332 -7.571 7.253 1.00 0.00 C ATOM 869 OG SER A 832 24.581 -8.964 7.148 1.00 0.00 O ATOM 0 H SER A 832 22.186 -8.524 5.118 1.00 0.00 H new ATOM 0 HA SER A 832 22.219 -7.361 7.006 1.00 0.00 H new ATOM 0 HB2 SER A 832 25.209 -7.015 6.920 1.00 0.00 H new ATOM 0 HB3 SER A 832 24.164 -7.306 8.297 1.00 0.00 H new ATOM 0 HG SER A 832 25.363 -9.198 7.690 1.00 0.00 H new ATOM 875 N ASP A 833 22.480 -5.304 5.006 1.00 0.00 N ATOM 876 CA ASP A 833 22.394 -3.912 4.596 1.00 0.00 C ATOM 877 C ASP A 833 21.185 -3.269 5.251 1.00 0.00 C ATOM 878 O ASP A 833 20.188 -2.972 4.595 1.00 0.00 O ATOM 879 CB ASP A 833 22.296 -3.810 3.076 1.00 0.00 C ATOM 880 CG ASP A 833 23.048 -2.616 2.526 1.00 0.00 C ATOM 881 OD1 ASP A 833 23.107 -1.574 3.209 1.00 0.00 O ATOM 882 OD2 ASP A 833 23.592 -2.719 1.407 1.00 0.00 O ATOM 0 H ASP A 833 21.985 -5.954 4.395 1.00 0.00 H new ATOM 0 HA ASP A 833 23.295 -3.387 4.913 1.00 0.00 H new ATOM 0 HB2 ASP A 833 22.690 -4.722 2.628 1.00 0.00 H new ATOM 0 HB3 ASP A 833 21.247 -3.740 2.786 1.00 0.00 H new ATOM 887 N PHE A 834 21.287 -3.078 6.559 1.00 0.00 N ATOM 888 CA PHE A 834 20.174 -2.599 7.377 1.00 0.00 C ATOM 889 C PHE A 834 19.645 -1.246 6.915 1.00 0.00 C ATOM 890 O PHE A 834 18.439 -1.017 6.935 1.00 0.00 O ATOM 891 CB PHE A 834 20.587 -2.529 8.851 1.00 0.00 C ATOM 892 CG PHE A 834 21.146 -3.822 9.377 1.00 0.00 C ATOM 893 CD1 PHE A 834 20.334 -4.934 9.527 1.00 0.00 C ATOM 894 CD2 PHE A 834 22.484 -3.924 9.712 1.00 0.00 C ATOM 895 CE1 PHE A 834 20.848 -6.125 10.004 1.00 0.00 C ATOM 896 CE2 PHE A 834 23.004 -5.111 10.191 1.00 0.00 C ATOM 897 CZ PHE A 834 22.185 -6.214 10.336 1.00 0.00 C ATOM 0 H PHE A 834 22.143 -3.250 7.086 1.00 0.00 H new ATOM 0 HA PHE A 834 19.363 -3.317 7.259 1.00 0.00 H new ATOM 0 HB2 PHE A 834 21.332 -1.743 8.975 1.00 0.00 H new ATOM 0 HB3 PHE A 834 19.722 -2.246 9.450 1.00 0.00 H new ATOM 0 HD1 PHE A 834 19.287 -4.870 9.268 1.00 0.00 H new ATOM 0 HD2 PHE A 834 23.130 -3.066 9.598 1.00 0.00 H new ATOM 0 HE1 PHE A 834 20.204 -6.985 10.117 1.00 0.00 H new ATOM 0 HE2 PHE A 834 24.050 -5.177 10.452 1.00 0.00 H new ATOM 0 HZ PHE A 834 22.590 -7.144 10.708 1.00 0.00 H new ATOM 907 N ALA A 835 20.531 -0.357 6.497 1.00 0.00 N ATOM 908 CA ALA A 835 20.111 0.949 6.001 1.00 0.00 C ATOM 909 C ALA A 835 19.229 0.799 4.761 1.00 0.00 C ATOM 910 O ALA A 835 18.228 1.508 4.593 1.00 0.00 O ATOM 911 CB ALA A 835 21.322 1.817 5.697 1.00 0.00 C ATOM 0 H ALA A 835 21.539 -0.511 6.490 1.00 0.00 H new ATOM 0 HA ALA A 835 19.523 1.438 6.778 1.00 0.00 H new ATOM 0 HB1 ALA A 835 20.991 2.788 5.328 1.00 0.00 H new ATOM 0 HB2 ALA A 835 21.908 1.955 6.606 1.00 0.00 H new ATOM 0 HB3 ALA A 835 21.937 1.331 4.939 1.00 0.00 H new ATOM 917 N ALA A 836 19.575 -0.166 3.919 1.00 0.00 N ATOM 918 CA ALA A 836 18.837 -0.397 2.688 1.00 0.00 C ATOM 919 C ALA A 836 17.587 -1.203 2.996 1.00 0.00 C ATOM 920 O ALA A 836 16.535 -1.018 2.384 1.00 0.00 O ATOM 921 CB ALA A 836 19.711 -1.101 1.664 1.00 0.00 C ATOM 0 H ALA A 836 20.361 -0.799 4.067 1.00 0.00 H new ATOM 0 HA ALA A 836 18.539 0.559 2.258 1.00 0.00 H new ATOM 0 HB1 ALA A 836 19.140 -1.265 0.750 1.00 0.00 H new ATOM 0 HB2 ALA A 836 20.582 -0.484 1.443 1.00 0.00 H new ATOM 0 HB3 ALA A 836 20.039 -2.061 2.064 1.00 0.00 H new ATOM 927 N LEU A 837 17.707 -2.090 3.967 1.00 0.00 N ATOM 928 CA LEU A 837 16.572 -2.816 4.489 1.00 0.00 C ATOM 929 C LEU A 837 15.539 -1.836 5.035 1.00 0.00 C ATOM 930 O LEU A 837 14.336 -2.009 4.841 1.00 0.00 O ATOM 931 CB LEU A 837 17.044 -3.766 5.587 1.00 0.00 C ATOM 932 CG LEU A 837 16.079 -4.894 5.924 1.00 0.00 C ATOM 933 CD1 LEU A 837 15.948 -5.851 4.750 1.00 0.00 C ATOM 934 CD2 LEU A 837 16.541 -5.635 7.168 1.00 0.00 C ATOM 0 H LEU A 837 18.594 -2.325 4.413 1.00 0.00 H new ATOM 0 HA LEU A 837 16.108 -3.398 3.693 1.00 0.00 H new ATOM 0 HB2 LEU A 837 17.996 -4.202 5.284 1.00 0.00 H new ATOM 0 HB3 LEU A 837 17.231 -3.187 6.491 1.00 0.00 H new ATOM 0 HG LEU A 837 15.099 -4.461 6.125 1.00 0.00 H new ATOM 0 HD11 LEU A 837 15.254 -6.651 5.008 1.00 0.00 H new ATOM 0 HD12 LEU A 837 15.572 -5.311 3.881 1.00 0.00 H new ATOM 0 HD13 LEU A 837 16.924 -6.278 4.518 1.00 0.00 H new ATOM 0 HD21 LEU A 837 15.840 -6.438 7.395 1.00 0.00 H new ATOM 0 HD22 LEU A 837 17.531 -6.056 6.994 1.00 0.00 H new ATOM 0 HD23 LEU A 837 16.584 -4.943 8.009 1.00 0.00 H new ATOM 946 N ALA A 838 16.031 -0.791 5.690 1.00 0.00 N ATOM 947 CA ALA A 838 15.182 0.247 6.251 1.00 0.00 C ATOM 948 C ALA A 838 14.415 0.989 5.163 1.00 0.00 C ATOM 949 O ALA A 838 13.199 1.137 5.261 1.00 0.00 O ATOM 950 CB ALA A 838 16.010 1.224 7.074 1.00 0.00 C ATOM 0 H ALA A 838 17.028 -0.642 5.846 1.00 0.00 H new ATOM 0 HA ALA A 838 14.454 -0.236 6.903 1.00 0.00 H new ATOM 0 HB1 ALA A 838 15.359 1.995 7.487 1.00 0.00 H new ATOM 0 HB2 ALA A 838 16.501 0.690 7.887 1.00 0.00 H new ATOM 0 HB3 ALA A 838 16.764 1.688 6.438 1.00 0.00 H new ATOM 956 N GLN A 839 15.112 1.451 4.122 1.00 0.00 N ATOM 957 CA GLN A 839 14.439 2.180 3.042 1.00 0.00 C ATOM 958 C GLN A 839 13.391 1.305 2.349 1.00 0.00 C ATOM 959 O GLN A 839 12.335 1.791 1.935 1.00 0.00 O ATOM 960 CB GLN A 839 15.434 2.737 2.027 1.00 0.00 C ATOM 961 CG GLN A 839 16.137 1.685 1.208 1.00 0.00 C ATOM 962 CD GLN A 839 15.637 1.618 -0.223 1.00 0.00 C ATOM 963 OE1 GLN A 839 15.522 2.637 -0.904 1.00 0.00 O ATOM 964 NE2 GLN A 839 15.311 0.420 -0.680 1.00 0.00 N ATOM 0 H GLN A 839 16.119 1.338 4.003 1.00 0.00 H new ATOM 0 HA GLN A 839 13.927 3.026 3.500 1.00 0.00 H new ATOM 0 HB2 GLN A 839 14.908 3.414 1.354 1.00 0.00 H new ATOM 0 HB3 GLN A 839 16.181 3.329 2.555 1.00 0.00 H new ATOM 0 HG2 GLN A 839 17.207 1.890 1.204 1.00 0.00 H new ATOM 0 HG3 GLN A 839 16.001 0.712 1.681 1.00 0.00 H new ATOM 0 HE21 GLN A 839 15.421 -0.400 -0.084 1.00 0.00 H new ATOM 0 HE22 GLN A 839 14.950 0.317 -1.628 1.00 0.00 H new ATOM 973 N THR A 840 13.670 0.012 2.243 1.00 0.00 N ATOM 974 CA THR A 840 12.727 -0.915 1.636 1.00 0.00 C ATOM 975 C THR A 840 11.519 -1.137 2.546 1.00 0.00 C ATOM 976 O THR A 840 10.377 -1.122 2.086 1.00 0.00 O ATOM 977 CB THR A 840 13.400 -2.261 1.312 1.00 0.00 C ATOM 978 OG1 THR A 840 14.714 -2.026 0.791 1.00 0.00 O ATOM 979 CG2 THR A 840 12.591 -3.053 0.297 1.00 0.00 C ATOM 0 H THR A 840 14.537 -0.416 2.568 1.00 0.00 H new ATOM 0 HA THR A 840 12.384 -0.470 0.702 1.00 0.00 H new ATOM 0 HB THR A 840 13.459 -2.842 2.233 1.00 0.00 H new ATOM 0 HG1 THR A 840 15.352 -1.960 1.531 1.00 0.00 H new ATOM 0 HG21 THR A 840 13.093 -3.998 0.089 1.00 0.00 H new ATOM 0 HG22 THR A 840 11.597 -3.250 0.698 1.00 0.00 H new ATOM 0 HG23 THR A 840 12.503 -2.479 -0.625 1.00 0.00 H new ATOM 987 N ALA A 841 11.770 -1.315 3.841 1.00 0.00 N ATOM 988 CA ALA A 841 10.691 -1.472 4.812 1.00 0.00 C ATOM 989 C ALA A 841 9.863 -0.193 4.896 1.00 0.00 C ATOM 990 O ALA A 841 8.658 -0.230 5.146 1.00 0.00 O ATOM 991 CB ALA A 841 11.255 -1.832 6.177 1.00 0.00 C ATOM 0 H ALA A 841 12.708 -1.354 4.241 1.00 0.00 H new ATOM 0 HA ALA A 841 10.042 -2.283 4.483 1.00 0.00 H new ATOM 0 HB1 ALA A 841 10.438 -1.946 6.890 1.00 0.00 H new ATOM 0 HB2 ALA A 841 11.808 -2.769 6.107 1.00 0.00 H new ATOM 0 HB3 ALA A 841 11.924 -1.040 6.515 1.00 0.00 H new ATOM 997 N HIS A 842 10.532 0.932 4.687 1.00 0.00 N ATOM 998 CA HIS A 842 9.881 2.232 4.630 1.00 0.00 C ATOM 999 C HIS A 842 8.855 2.255 3.505 1.00 0.00 C ATOM 1000 O HIS A 842 7.698 2.632 3.704 1.00 0.00 O ATOM 1001 CB HIS A 842 10.929 3.324 4.399 1.00 0.00 C ATOM 1002 CG HIS A 842 10.595 4.642 5.023 1.00 0.00 C ATOM 1003 ND1 HIS A 842 10.585 4.849 6.383 1.00 0.00 N ATOM 1004 CD2 HIS A 842 10.277 5.828 4.460 1.00 0.00 C ATOM 1005 CE1 HIS A 842 10.283 6.110 6.631 1.00 0.00 C ATOM 1006 NE2 HIS A 842 10.091 6.726 5.480 1.00 0.00 N ATOM 0 H HIS A 842 11.542 0.969 4.552 1.00 0.00 H new ATOM 0 HA HIS A 842 9.371 2.416 5.576 1.00 0.00 H new ATOM 0 HB2 HIS A 842 11.886 2.981 4.793 1.00 0.00 H new ATOM 0 HB3 HIS A 842 11.058 3.466 3.326 1.00 0.00 H new ATOM 0 HD1 HIS A 842 10.780 4.139 7.089 1.00 0.00 H new ATOM 0 HD2 HIS A 842 10.186 6.031 3.403 1.00 0.00 H new ATOM 0 HE1 HIS A 842 10.206 6.561 7.609 1.00 0.00 H new ATOM 1015 N ARG A 843 9.284 1.832 2.323 1.00 0.00 N ATOM 1016 CA ARG A 843 8.403 1.784 1.169 1.00 0.00 C ATOM 1017 C ARG A 843 7.291 0.757 1.373 1.00 0.00 C ATOM 1018 O ARG A 843 6.154 0.980 0.961 1.00 0.00 O ATOM 1019 CB ARG A 843 9.191 1.456 -0.095 1.00 0.00 C ATOM 1020 CG ARG A 843 8.823 2.333 -1.279 1.00 0.00 C ATOM 1021 CD ARG A 843 10.035 2.641 -2.140 1.00 0.00 C ATOM 1022 NE ARG A 843 10.847 3.723 -1.586 1.00 0.00 N ATOM 1023 CZ ARG A 843 12.138 3.606 -1.288 1.00 0.00 C ATOM 1024 NH1 ARG A 843 12.760 2.444 -1.461 1.00 0.00 N ATOM 1025 NH2 ARG A 843 12.809 4.650 -0.820 1.00 0.00 N ATOM 0 H ARG A 843 10.237 1.518 2.141 1.00 0.00 H new ATOM 0 HA ARG A 843 7.948 2.768 1.055 1.00 0.00 H new ATOM 0 HB2 ARG A 843 10.256 1.564 0.111 1.00 0.00 H new ATOM 0 HB3 ARG A 843 9.022 0.412 -0.359 1.00 0.00 H new ATOM 0 HG2 ARG A 843 8.065 1.833 -1.882 1.00 0.00 H new ATOM 0 HG3 ARG A 843 8.383 3.264 -0.921 1.00 0.00 H new ATOM 0 HD2 ARG A 843 10.646 1.744 -2.237 1.00 0.00 H new ATOM 0 HD3 ARG A 843 9.706 2.913 -3.143 1.00 0.00 H new ATOM 0 HE ARG A 843 10.396 4.622 -1.418 1.00 0.00 H new ATOM 0 HH11 ARG A 843 12.247 1.640 -1.823 1.00 0.00 H new ATOM 0 HH12 ARG A 843 13.750 2.356 -1.232 1.00 0.00 H new ATOM 0 HH21 ARG A 843 12.335 5.544 -0.688 1.00 0.00 H new ATOM 0 HH22 ARG A 843 13.799 4.559 -0.592 1.00 0.00 H new ATOM 1039 N LEU A 844 7.625 -0.362 2.009 1.00 0.00 N ATOM 1040 CA LEU A 844 6.649 -1.415 2.281 1.00 0.00 C ATOM 1041 C LEU A 844 5.542 -0.915 3.203 1.00 0.00 C ATOM 1042 O LEU A 844 4.361 -1.106 2.922 1.00 0.00 O ATOM 1043 CB LEU A 844 7.335 -2.635 2.904 1.00 0.00 C ATOM 1044 CG LEU A 844 7.511 -3.851 1.984 1.00 0.00 C ATOM 1045 CD1 LEU A 844 7.051 -5.115 2.686 1.00 0.00 C ATOM 1046 CD2 LEU A 844 6.759 -3.674 0.674 1.00 0.00 C ATOM 0 H LEU A 844 8.566 -0.564 2.347 1.00 0.00 H new ATOM 0 HA LEU A 844 6.200 -1.705 1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 844 8.318 -2.330 3.263 1.00 0.00 H new ATOM 0 HB3 LEU A 844 6.759 -2.945 3.776 1.00 0.00 H new ATOM 0 HG LEU A 844 8.572 -3.939 1.751 1.00 0.00 H new ATOM 0 HD11 LEU A 844 7.182 -5.969 2.021 1.00 0.00 H new ATOM 0 HD12 LEU A 844 7.642 -5.265 3.590 1.00 0.00 H new ATOM 0 HD13 LEU A 844 5.998 -5.021 2.952 1.00 0.00 H new ATOM 0 HD21 LEU A 844 6.906 -4.554 0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 844 5.696 -3.548 0.879 1.00 0.00 H new ATOM 0 HD23 LEU A 844 7.135 -2.792 0.155 1.00 0.00 H new ATOM 1058 N LYS A 845 5.917 -0.265 4.298 1.00 0.00 N ATOM 1059 CA LYS A 845 4.926 0.294 5.209 1.00 0.00 C ATOM 1060 C LYS A 845 4.101 1.362 4.489 1.00 0.00 C ATOM 1061 O LYS A 845 2.906 1.530 4.753 1.00 0.00 O ATOM 1062 CB LYS A 845 5.601 0.850 6.474 1.00 0.00 C ATOM 1063 CG LYS A 845 5.894 2.345 6.449 1.00 0.00 C ATOM 1064 CD LYS A 845 7.264 2.662 7.031 1.00 0.00 C ATOM 1065 CE LYS A 845 7.537 1.880 8.307 1.00 0.00 C ATOM 1066 NZ LYS A 845 7.820 2.778 9.458 1.00 0.00 N ATOM 0 H LYS A 845 6.887 -0.113 4.574 1.00 0.00 H new ATOM 0 HA LYS A 845 4.248 -0.497 5.529 1.00 0.00 H new ATOM 0 HB2 LYS A 845 4.963 0.635 7.331 1.00 0.00 H new ATOM 0 HB3 LYS A 845 6.537 0.315 6.632 1.00 0.00 H new ATOM 0 HG2 LYS A 845 5.842 2.708 5.423 1.00 0.00 H new ATOM 0 HG3 LYS A 845 5.127 2.875 7.014 1.00 0.00 H new ATOM 0 HD2 LYS A 845 8.033 2.432 6.294 1.00 0.00 H new ATOM 0 HD3 LYS A 845 7.331 3.730 7.239 1.00 0.00 H new ATOM 0 HE2 LYS A 845 6.677 1.252 8.539 1.00 0.00 H new ATOM 0 HE3 LYS A 845 8.385 1.213 8.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 845 8.764 2.567 9.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 845 7.788 3.768 9.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 845 7.106 2.628 10.199 1.00 0.00 H new ATOM 1080 N GLY A 846 4.744 2.053 3.552 1.00 0.00 N ATOM 1081 CA GLY A 846 4.065 3.053 2.756 1.00 0.00 C ATOM 1082 C GLY A 846 3.042 2.451 1.808 1.00 0.00 C ATOM 1083 O GLY A 846 1.897 2.898 1.761 1.00 0.00 O ATOM 0 H GLY A 846 5.733 1.934 3.331 1.00 0.00 H new ATOM 0 HA2 GLY A 846 3.568 3.762 3.418 1.00 0.00 H new ATOM 0 HA3 GLY A 846 4.801 3.615 2.181 1.00 0.00 H new ATOM 1087 N VAL A 847 3.448 1.432 1.050 1.00 0.00 N ATOM 1088 CA VAL A 847 2.552 0.805 0.081 1.00 0.00 C ATOM 1089 C VAL A 847 1.368 0.139 0.784 1.00 0.00 C ATOM 1090 O VAL A 847 0.242 0.178 0.289 1.00 0.00 O ATOM 1091 CB VAL A 847 3.277 -0.221 -0.832 1.00 0.00 C ATOM 1092 CG1 VAL A 847 4.265 0.483 -1.750 1.00 0.00 C ATOM 1093 CG2 VAL A 847 3.976 -1.301 -0.026 1.00 0.00 C ATOM 0 H VAL A 847 4.383 1.027 1.088 1.00 0.00 H new ATOM 0 HA VAL A 847 2.185 1.606 -0.561 1.00 0.00 H new ATOM 0 HB VAL A 847 2.516 -0.708 -1.442 1.00 0.00 H new ATOM 0 HG11 VAL A 847 4.763 -0.253 -2.382 1.00 0.00 H new ATOM 0 HG12 VAL A 847 3.733 1.199 -2.377 1.00 0.00 H new ATOM 0 HG13 VAL A 847 5.008 1.008 -1.150 1.00 0.00 H new ATOM 0 HG21 VAL A 847 4.470 -1.998 -0.703 1.00 0.00 H new ATOM 0 HG22 VAL A 847 4.718 -0.844 0.629 1.00 0.00 H new ATOM 0 HG23 VAL A 847 3.243 -1.838 0.575 1.00 0.00 H new ATOM 1103 N PHE A 848 1.614 -0.435 1.956 1.00 0.00 N ATOM 1104 CA PHE A 848 0.547 -1.038 2.740 1.00 0.00 C ATOM 1105 C PHE A 848 -0.448 0.033 3.175 1.00 0.00 C ATOM 1106 O PHE A 848 -1.663 -0.157 3.081 1.00 0.00 O ATOM 1107 CB PHE A 848 1.121 -1.765 3.957 1.00 0.00 C ATOM 1108 CG PHE A 848 1.536 -3.181 3.672 1.00 0.00 C ATOM 1109 CD1 PHE A 848 0.607 -4.121 3.260 1.00 0.00 C ATOM 1110 CD2 PHE A 848 2.857 -3.571 3.815 1.00 0.00 C ATOM 1111 CE1 PHE A 848 0.987 -5.424 2.998 1.00 0.00 C ATOM 1112 CE2 PHE A 848 3.244 -4.873 3.555 1.00 0.00 C ATOM 1113 CZ PHE A 848 2.307 -5.801 3.145 1.00 0.00 C ATOM 0 H PHE A 848 2.539 -0.495 2.381 1.00 0.00 H new ATOM 0 HA PHE A 848 0.027 -1.769 2.122 1.00 0.00 H new ATOM 0 HB2 PHE A 848 1.983 -1.210 4.328 1.00 0.00 H new ATOM 0 HB3 PHE A 848 0.377 -1.767 4.753 1.00 0.00 H new ATOM 0 HD1 PHE A 848 -0.427 -3.833 3.142 1.00 0.00 H new ATOM 0 HD2 PHE A 848 3.594 -2.849 4.134 1.00 0.00 H new ATOM 0 HE1 PHE A 848 0.251 -6.147 2.678 1.00 0.00 H new ATOM 0 HE2 PHE A 848 4.278 -5.164 3.672 1.00 0.00 H new ATOM 0 HZ PHE A 848 2.606 -6.818 2.940 1.00 0.00 H new ATOM 1123 N ALA A 849 0.075 1.174 3.621 1.00 0.00 N ATOM 1124 CA ALA A 849 -0.764 2.303 4.010 1.00 0.00 C ATOM 1125 C ALA A 849 -1.595 2.796 2.826 1.00 0.00 C ATOM 1126 O ALA A 849 -2.742 3.211 2.994 1.00 0.00 O ATOM 1127 CB ALA A 849 0.088 3.437 4.565 1.00 0.00 C ATOM 0 H ALA A 849 1.076 1.340 3.721 1.00 0.00 H new ATOM 0 HA ALA A 849 -1.445 1.964 4.791 1.00 0.00 H new ATOM 0 HB1 ALA A 849 -0.555 4.270 4.850 1.00 0.00 H new ATOM 0 HB2 ALA A 849 0.636 3.086 5.440 1.00 0.00 H new ATOM 0 HB3 ALA A 849 0.794 3.768 3.803 1.00 0.00 H new ATOM 1133 N MET A 850 -1.007 2.739 1.632 1.00 0.00 N ATOM 1134 CA MET A 850 -1.706 3.121 0.403 1.00 0.00 C ATOM 1135 C MET A 850 -2.949 2.269 0.207 1.00 0.00 C ATOM 1136 O MET A 850 -4.047 2.776 -0.020 1.00 0.00 O ATOM 1137 CB MET A 850 -0.794 2.943 -0.815 1.00 0.00 C ATOM 1138 CG MET A 850 0.397 3.875 -0.837 1.00 0.00 C ATOM 1139 SD MET A 850 0.839 4.402 -2.503 1.00 0.00 S ATOM 1140 CE MET A 850 2.358 3.488 -2.751 1.00 0.00 C ATOM 0 H MET A 850 -0.045 2.431 1.488 1.00 0.00 H new ATOM 0 HA MET A 850 -1.991 4.169 0.498 1.00 0.00 H new ATOM 0 HB2 MET A 850 -0.437 1.914 -0.840 1.00 0.00 H new ATOM 0 HB3 MET A 850 -1.381 3.099 -1.720 1.00 0.00 H new ATOM 0 HG2 MET A 850 0.177 4.753 -0.229 1.00 0.00 H new ATOM 0 HG3 MET A 850 1.252 3.376 -0.380 1.00 0.00 H new ATOM 0 HE1 MET A 850 2.975 4.002 -3.488 1.00 0.00 H new ATOM 0 HE2 MET A 850 2.900 3.420 -1.808 1.00 0.00 H new ATOM 0 HE3 MET A 850 2.125 2.485 -3.109 1.00 0.00 H new ATOM 1150 N LEU A 851 -2.761 0.965 0.307 1.00 0.00 N ATOM 1151 CA LEU A 851 -3.838 0.018 0.065 1.00 0.00 C ATOM 1152 C LEU A 851 -4.685 -0.199 1.319 1.00 0.00 C ATOM 1153 O LEU A 851 -5.645 -0.969 1.302 1.00 0.00 O ATOM 1154 CB LEU A 851 -3.249 -1.301 -0.431 1.00 0.00 C ATOM 1155 CG LEU A 851 -2.017 -1.146 -1.330 1.00 0.00 C ATOM 1156 CD1 LEU A 851 -1.115 -2.364 -1.215 1.00 0.00 C ATOM 1157 CD2 LEU A 851 -2.432 -0.930 -2.776 1.00 0.00 C ATOM 0 H LEU A 851 -1.870 0.535 0.555 1.00 0.00 H new ATOM 0 HA LEU A 851 -4.499 0.427 -0.699 1.00 0.00 H new ATOM 0 HB2 LEU A 851 -2.980 -1.912 0.431 1.00 0.00 H new ATOM 0 HB3 LEU A 851 -4.018 -1.845 -0.980 1.00 0.00 H new ATOM 0 HG LEU A 851 -1.460 -0.270 -0.997 1.00 0.00 H new ATOM 0 HD11 LEU A 851 -0.246 -2.235 -1.860 1.00 0.00 H new ATOM 0 HD12 LEU A 851 -0.786 -2.477 -0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 851 -1.665 -3.254 -1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 851 -1.543 -0.822 -3.397 1.00 0.00 H new ATOM 0 HD22 LEU A 851 -3.013 -1.786 -3.119 1.00 0.00 H new ATOM 0 HD23 LEU A 851 -3.038 -0.027 -2.850 1.00 0.00 H new ATOM 1169 N ASN A 852 -4.296 0.471 2.406 1.00 0.00 N ATOM 1170 CA ASN A 852 -5.055 0.474 3.662 1.00 0.00 C ATOM 1171 C ASN A 852 -4.921 -0.858 4.384 1.00 0.00 C ATOM 1172 O ASN A 852 -5.783 -1.255 5.167 1.00 0.00 O ATOM 1173 CB ASN A 852 -6.536 0.808 3.431 1.00 0.00 C ATOM 1174 CG ASN A 852 -7.085 1.762 4.479 1.00 0.00 C ATOM 1175 OD1 ASN A 852 -6.948 1.540 5.683 1.00 0.00 O ATOM 1176 ND2 ASN A 852 -7.711 2.836 4.028 1.00 0.00 N ATOM 0 H ASN A 852 -3.443 1.029 2.442 1.00 0.00 H new ATOM 0 HA ASN A 852 -4.630 1.256 4.291 1.00 0.00 H new ATOM 0 HB2 ASN A 852 -6.656 1.251 2.442 1.00 0.00 H new ATOM 0 HB3 ASN A 852 -7.119 -0.113 3.441 1.00 0.00 H new ATOM 0 HD21 ASN A 852 -8.099 3.513 4.684 1.00 0.00 H new ATOM 0 HD22 ASN A 852 -7.806 2.987 3.024 1.00 0.00 H new ATOM 1183 N LEU A 853 -3.816 -1.537 4.129 1.00 0.00 N ATOM 1184 CA LEU A 853 -3.518 -2.784 4.802 1.00 0.00 C ATOM 1185 C LEU A 853 -2.814 -2.488 6.119 1.00 0.00 C ATOM 1186 O LEU A 853 -1.606 -2.694 6.254 1.00 0.00 O ATOM 1187 CB LEU A 853 -2.651 -3.669 3.908 1.00 0.00 C ATOM 1188 CG LEU A 853 -3.426 -4.581 2.956 1.00 0.00 C ATOM 1189 CD1 LEU A 853 -2.665 -4.757 1.649 1.00 0.00 C ATOM 1190 CD2 LEU A 853 -3.688 -5.929 3.610 1.00 0.00 C ATOM 0 H LEU A 853 -3.108 -1.241 3.456 1.00 0.00 H new ATOM 0 HA LEU A 853 -4.444 -3.319 5.010 1.00 0.00 H new ATOM 0 HB2 LEU A 853 -1.992 -3.031 3.320 1.00 0.00 H new ATOM 0 HB3 LEU A 853 -2.014 -4.287 4.541 1.00 0.00 H new ATOM 0 HG LEU A 853 -4.386 -4.115 2.733 1.00 0.00 H new ATOM 0 HD11 LEU A 853 -3.231 -5.409 0.983 1.00 0.00 H new ATOM 0 HD12 LEU A 853 -2.527 -3.785 1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 853 -1.691 -5.203 1.852 1.00 0.00 H new ATOM 0 HD21 LEU A 853 -4.240 -6.567 2.920 1.00 0.00 H new ATOM 0 HD22 LEU A 853 -2.739 -6.402 3.861 1.00 0.00 H new ATOM 0 HD23 LEU A 853 -4.273 -5.785 4.518 1.00 0.00 H new ATOM 1202 N VAL A 854 -3.590 -1.980 7.073 1.00 0.00 N ATOM 1203 CA VAL A 854 -3.069 -1.545 8.370 1.00 0.00 C ATOM 1204 C VAL A 854 -2.207 -2.616 9.054 1.00 0.00 C ATOM 1205 O VAL A 854 -1.061 -2.336 9.402 1.00 0.00 O ATOM 1206 CB VAL A 854 -4.202 -1.106 9.326 1.00 0.00 C ATOM 1207 CG1 VAL A 854 -3.630 -0.482 10.593 1.00 0.00 C ATOM 1208 CG2 VAL A 854 -5.141 -0.136 8.629 1.00 0.00 C ATOM 0 H VAL A 854 -4.597 -1.858 6.971 1.00 0.00 H new ATOM 0 HA VAL A 854 -2.432 -0.687 8.155 1.00 0.00 H new ATOM 0 HB VAL A 854 -4.770 -1.992 9.611 1.00 0.00 H new ATOM 0 HG11 VAL A 854 -4.446 -0.181 11.250 1.00 0.00 H new ATOM 0 HG12 VAL A 854 -3.001 -1.210 11.105 1.00 0.00 H new ATOM 0 HG13 VAL A 854 -3.034 0.392 10.331 1.00 0.00 H new ATOM 0 HG21 VAL A 854 -5.932 0.162 9.317 1.00 0.00 H new ATOM 0 HG22 VAL A 854 -4.584 0.746 8.312 1.00 0.00 H new ATOM 0 HG23 VAL A 854 -5.582 -0.619 7.757 1.00 0.00 H new ATOM 1218 N PRO A 855 -2.722 -3.853 9.255 1.00 0.00 N ATOM 1219 CA PRO A 855 -1.953 -4.923 9.909 1.00 0.00 C ATOM 1220 C PRO A 855 -0.628 -5.206 9.199 1.00 0.00 C ATOM 1221 O PRO A 855 0.390 -5.465 9.843 1.00 0.00 O ATOM 1222 CB PRO A 855 -2.879 -6.141 9.831 1.00 0.00 C ATOM 1223 CG PRO A 855 -4.246 -5.574 9.677 1.00 0.00 C ATOM 1224 CD PRO A 855 -4.080 -4.307 8.890 1.00 0.00 C ATOM 0 HA PRO A 855 -1.676 -4.655 10.928 1.00 0.00 H new ATOM 0 HB2 PRO A 855 -2.620 -6.781 8.988 1.00 0.00 H new ATOM 0 HB3 PRO A 855 -2.804 -6.752 10.730 1.00 0.00 H new ATOM 0 HG2 PRO A 855 -4.902 -6.273 9.158 1.00 0.00 H new ATOM 0 HG3 PRO A 855 -4.698 -5.374 10.649 1.00 0.00 H new ATOM 0 HD2 PRO A 855 -4.170 -4.485 7.818 1.00 0.00 H new ATOM 0 HD3 PRO A 855 -4.836 -3.567 9.155 1.00 0.00 H new ATOM 1232 N GLY A 856 -0.641 -5.142 7.871 1.00 0.00 N ATOM 1233 CA GLY A 856 0.573 -5.357 7.105 1.00 0.00 C ATOM 1234 C GLY A 856 1.577 -4.243 7.330 1.00 0.00 C ATOM 1235 O GLY A 856 2.770 -4.495 7.532 1.00 0.00 O ATOM 0 H GLY A 856 -1.471 -4.945 7.312 1.00 0.00 H new ATOM 0 HA2 GLY A 856 1.018 -6.311 7.387 1.00 0.00 H new ATOM 0 HA3 GLY A 856 0.329 -5.420 6.045 1.00 0.00 H new ATOM 1239 N LYS A 857 1.089 -3.008 7.311 1.00 0.00 N ATOM 1240 CA LYS A 857 1.927 -1.850 7.587 1.00 0.00 C ATOM 1241 C LYS A 857 2.446 -1.915 9.020 1.00 0.00 C ATOM 1242 O LYS A 857 3.604 -1.602 9.281 1.00 0.00 O ATOM 1243 CB LYS A 857 1.141 -0.554 7.352 1.00 0.00 C ATOM 1244 CG LYS A 857 1.824 0.691 7.895 1.00 0.00 C ATOM 1245 CD LYS A 857 0.817 1.663 8.487 1.00 0.00 C ATOM 1246 CE LYS A 857 1.215 3.107 8.227 1.00 0.00 C ATOM 1247 NZ LYS A 857 2.014 3.674 9.343 1.00 0.00 N ATOM 0 H LYS A 857 0.115 -2.784 7.107 1.00 0.00 H new ATOM 0 HA LYS A 857 2.779 -1.858 6.907 1.00 0.00 H new ATOM 0 HB2 LYS A 857 0.978 -0.429 6.281 1.00 0.00 H new ATOM 0 HB3 LYS A 857 0.159 -0.648 7.815 1.00 0.00 H new ATOM 0 HG2 LYS A 857 2.549 0.407 8.658 1.00 0.00 H new ATOM 0 HG3 LYS A 857 2.379 1.182 7.095 1.00 0.00 H new ATOM 0 HD2 LYS A 857 -0.168 1.474 8.059 1.00 0.00 H new ATOM 0 HD3 LYS A 857 0.736 1.495 9.561 1.00 0.00 H new ATOM 0 HE2 LYS A 857 1.791 3.163 7.304 1.00 0.00 H new ATOM 0 HE3 LYS A 857 0.318 3.709 8.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 857 1.910 4.709 9.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 857 1.676 3.283 10.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 857 3.016 3.428 9.212 1.00 0.00 H new ATOM 1261 N GLN A 858 1.581 -2.351 9.932 1.00 0.00 N ATOM 1262 CA GLN A 858 1.937 -2.532 11.337 1.00 0.00 C ATOM 1263 C GLN A 858 3.147 -3.446 11.469 1.00 0.00 C ATOM 1264 O GLN A 858 4.080 -3.166 12.229 1.00 0.00 O ATOM 1265 CB GLN A 858 0.754 -3.139 12.093 1.00 0.00 C ATOM 1266 CG GLN A 858 0.249 -2.287 13.239 1.00 0.00 C ATOM 1267 CD GLN A 858 -0.827 -2.991 14.040 1.00 0.00 C ATOM 1268 OE1 GLN A 858 -2.014 -2.713 13.885 1.00 0.00 O ATOM 1269 NE2 GLN A 858 -0.420 -3.912 14.899 1.00 0.00 N ATOM 0 H GLN A 858 0.613 -2.589 9.718 1.00 0.00 H new ATOM 0 HA GLN A 858 2.185 -1.559 11.761 1.00 0.00 H new ATOM 0 HB2 GLN A 858 -0.063 -3.307 11.392 1.00 0.00 H new ATOM 0 HB3 GLN A 858 1.047 -4.114 12.481 1.00 0.00 H new ATOM 0 HG2 GLN A 858 1.081 -2.033 13.895 1.00 0.00 H new ATOM 0 HG3 GLN A 858 -0.146 -1.350 12.847 1.00 0.00 H new ATOM 0 HE21 GLN A 858 0.575 -4.113 14.998 1.00 0.00 H new ATOM 0 HE22 GLN A 858 -1.101 -4.421 15.462 1.00 0.00 H new ATOM 1278 N LEU A 859 3.131 -4.537 10.714 1.00 0.00 N ATOM 1279 CA LEU A 859 4.251 -5.465 10.682 1.00 0.00 C ATOM 1280 C LEU A 859 5.511 -4.757 10.197 1.00 0.00 C ATOM 1281 O LEU A 859 6.583 -4.908 10.780 1.00 0.00 O ATOM 1282 CB LEU A 859 3.935 -6.650 9.767 1.00 0.00 C ATOM 1283 CG LEU A 859 2.811 -7.568 10.251 1.00 0.00 C ATOM 1284 CD1 LEU A 859 2.315 -8.445 9.112 1.00 0.00 C ATOM 1285 CD2 LEU A 859 3.279 -8.420 11.418 1.00 0.00 C ATOM 0 H LEU A 859 2.350 -4.801 10.113 1.00 0.00 H new ATOM 0 HA LEU A 859 4.420 -5.836 11.693 1.00 0.00 H new ATOM 0 HB2 LEU A 859 3.670 -6.266 8.782 1.00 0.00 H new ATOM 0 HB3 LEU A 859 4.840 -7.245 9.644 1.00 0.00 H new ATOM 0 HG LEU A 859 1.983 -6.947 10.594 1.00 0.00 H new ATOM 0 HD11 LEU A 859 1.516 -9.092 9.473 1.00 0.00 H new ATOM 0 HD12 LEU A 859 1.937 -7.816 8.306 1.00 0.00 H new ATOM 0 HD13 LEU A 859 3.137 -9.057 8.739 1.00 0.00 H new ATOM 0 HD21 LEU A 859 2.465 -9.065 11.747 1.00 0.00 H new ATOM 0 HD22 LEU A 859 4.124 -9.033 11.105 1.00 0.00 H new ATOM 0 HD23 LEU A 859 3.585 -7.774 12.241 1.00 0.00 H new ATOM 1297 N CYS A 860 5.365 -3.963 9.143 1.00 0.00 N ATOM 1298 CA CYS A 860 6.491 -3.228 8.575 1.00 0.00 C ATOM 1299 C CYS A 860 7.009 -2.158 9.541 1.00 0.00 C ATOM 1300 O CYS A 860 8.210 -1.903 9.601 1.00 0.00 O ATOM 1301 CB CYS A 860 6.085 -2.596 7.247 1.00 0.00 C ATOM 1302 SG CYS A 860 5.526 -3.796 6.015 1.00 0.00 S ATOM 0 H CYS A 860 4.478 -3.811 8.663 1.00 0.00 H new ATOM 0 HA CYS A 860 7.302 -3.935 8.402 1.00 0.00 H new ATOM 0 HB2 CYS A 860 5.288 -1.874 7.426 1.00 0.00 H new ATOM 0 HB3 CYS A 860 6.933 -2.042 6.844 1.00 0.00 H new ATOM 0 HG CYS A 860 4.374 -4.281 6.373 1.00 0.00 H new ATOM 1308 N GLU A 861 6.105 -1.535 10.292 1.00 0.00 N ATOM 1309 CA GLU A 861 6.496 -0.567 11.313 1.00 0.00 C ATOM 1310 C GLU A 861 7.377 -1.238 12.360 1.00 0.00 C ATOM 1311 O GLU A 861 8.441 -0.732 12.724 1.00 0.00 O ATOM 1312 CB GLU A 861 5.267 0.037 12.003 1.00 0.00 C ATOM 1313 CG GLU A 861 4.314 0.761 11.066 1.00 0.00 C ATOM 1314 CD GLU A 861 4.872 2.069 10.553 1.00 0.00 C ATOM 1315 OE1 GLU A 861 5.813 2.608 11.169 1.00 0.00 O ATOM 1316 OE2 GLU A 861 4.374 2.565 9.525 1.00 0.00 O ATOM 0 H GLU A 861 5.099 -1.683 10.213 1.00 0.00 H new ATOM 0 HA GLU A 861 7.049 0.232 10.820 1.00 0.00 H new ATOM 0 HB2 GLU A 861 4.723 -0.759 12.511 1.00 0.00 H new ATOM 0 HB3 GLU A 861 5.602 0.734 12.771 1.00 0.00 H new ATOM 0 HG2 GLU A 861 4.083 0.114 10.220 1.00 0.00 H new ATOM 0 HG3 GLU A 861 3.376 0.952 11.587 1.00 0.00 H new ATOM 1323 N THR A 862 6.924 -2.392 12.833 1.00 0.00 N ATOM 1324 CA THR A 862 7.670 -3.162 13.815 1.00 0.00 C ATOM 1325 C THR A 862 8.961 -3.708 13.203 1.00 0.00 C ATOM 1326 O THR A 862 9.972 -3.842 13.890 1.00 0.00 O ATOM 1327 CB THR A 862 6.826 -4.320 14.380 1.00 0.00 C ATOM 1328 OG1 THR A 862 5.447 -3.923 14.476 1.00 0.00 O ATOM 1329 CG2 THR A 862 7.332 -4.733 15.755 1.00 0.00 C ATOM 0 H THR A 862 6.040 -2.815 12.550 1.00 0.00 H new ATOM 0 HA THR A 862 7.921 -2.491 14.636 1.00 0.00 H new ATOM 0 HB THR A 862 6.914 -5.169 13.703 1.00 0.00 H new ATOM 0 HG1 THR A 862 5.068 -3.838 13.576 1.00 0.00 H new ATOM 0 HG21 THR A 862 6.722 -5.552 16.136 1.00 0.00 H new ATOM 0 HG22 THR A 862 8.370 -5.058 15.678 1.00 0.00 H new ATOM 0 HG23 THR A 862 7.267 -3.885 16.436 1.00 0.00 H new ATOM 1337 N LEU A 863 8.920 -4.013 11.907 1.00 0.00 N ATOM 1338 CA LEU A 863 10.112 -4.433 11.180 1.00 0.00 C ATOM 1339 C LEU A 863 11.165 -3.333 11.216 1.00 0.00 C ATOM 1340 O LEU A 863 12.326 -3.589 11.525 1.00 0.00 O ATOM 1341 CB LEU A 863 9.768 -4.773 9.727 1.00 0.00 C ATOM 1342 CG LEU A 863 10.257 -6.139 9.228 1.00 0.00 C ATOM 1343 CD1 LEU A 863 10.412 -6.119 7.715 1.00 0.00 C ATOM 1344 CD2 LEU A 863 11.574 -6.522 9.885 1.00 0.00 C ATOM 0 H LEU A 863 8.073 -3.976 11.340 1.00 0.00 H new ATOM 0 HA LEU A 863 10.509 -5.326 11.663 1.00 0.00 H new ATOM 0 HB2 LEU A 863 8.685 -4.731 9.610 1.00 0.00 H new ATOM 0 HB3 LEU A 863 10.188 -4.000 9.083 1.00 0.00 H new ATOM 0 HG LEU A 863 9.512 -6.887 9.500 1.00 0.00 H new ATOM 0 HD11 LEU A 863 10.760 -7.094 7.372 1.00 0.00 H new ATOM 0 HD12 LEU A 863 9.450 -5.894 7.254 1.00 0.00 H new ATOM 0 HD13 LEU A 863 11.137 -5.356 7.434 1.00 0.00 H new ATOM 0 HD21 LEU A 863 11.897 -7.494 9.513 1.00 0.00 H new ATOM 0 HD22 LEU A 863 12.330 -5.773 9.648 1.00 0.00 H new ATOM 0 HD23 LEU A 863 11.440 -6.573 10.966 1.00 0.00 H new ATOM 1356 N GLU A 864 10.748 -2.106 10.920 1.00 0.00 N ATOM 1357 CA GLU A 864 11.642 -0.957 10.983 1.00 0.00 C ATOM 1358 C GLU A 864 12.208 -0.806 12.391 1.00 0.00 C ATOM 1359 O GLU A 864 13.371 -0.462 12.571 1.00 0.00 O ATOM 1360 CB GLU A 864 10.905 0.316 10.569 1.00 0.00 C ATOM 1361 CG GLU A 864 11.471 0.966 9.317 1.00 0.00 C ATOM 1362 CD GLU A 864 10.894 2.342 9.062 1.00 0.00 C ATOM 1363 OE1 GLU A 864 10.434 2.989 10.026 1.00 0.00 O ATOM 1364 OE2 GLU A 864 10.872 2.778 7.899 1.00 0.00 O ATOM 0 H GLU A 864 9.795 -1.883 10.634 1.00 0.00 H new ATOM 0 HA GLU A 864 12.467 -1.120 10.290 1.00 0.00 H new ATOM 0 HB2 GLU A 864 9.854 0.080 10.402 1.00 0.00 H new ATOM 0 HB3 GLU A 864 10.944 1.032 11.390 1.00 0.00 H new ATOM 0 HG2 GLU A 864 12.554 1.042 9.410 1.00 0.00 H new ATOM 0 HG3 GLU A 864 11.269 0.327 8.458 1.00 0.00 H new ATOM 1371 N HIS A 865 11.372 -1.082 13.385 1.00 0.00 N ATOM 1372 CA HIS A 865 11.789 -1.068 14.785 1.00 0.00 C ATOM 1373 C HIS A 865 12.872 -2.124 15.024 1.00 0.00 C ATOM 1374 O HIS A 865 13.843 -1.892 15.747 1.00 0.00 O ATOM 1375 CB HIS A 865 10.551 -1.299 15.681 1.00 0.00 C ATOM 1376 CG HIS A 865 10.787 -2.040 16.973 1.00 0.00 C ATOM 1377 ND1 HIS A 865 10.912 -1.404 18.185 1.00 0.00 N ATOM 1378 CD2 HIS A 865 10.876 -3.368 17.239 1.00 0.00 C ATOM 1379 CE1 HIS A 865 11.064 -2.301 19.139 1.00 0.00 C ATOM 1380 NE2 HIS A 865 11.046 -3.500 18.594 1.00 0.00 N ATOM 0 H HIS A 865 10.390 -1.321 13.246 1.00 0.00 H new ATOM 0 HA HIS A 865 12.222 -0.100 15.039 1.00 0.00 H new ATOM 0 HB2 HIS A 865 10.115 -0.328 15.919 1.00 0.00 H new ATOM 0 HB3 HIS A 865 9.808 -1.849 15.103 1.00 0.00 H new ATOM 0 HD2 HIS A 865 10.823 -4.171 16.519 1.00 0.00 H new ATOM 0 HE1 HIS A 865 11.183 -2.088 20.191 1.00 0.00 H new ATOM 0 HE2 HIS A 865 11.143 -4.382 19.097 1.00 0.00 H new ATOM 1389 N LEU A 866 12.709 -3.279 14.400 1.00 0.00 N ATOM 1390 CA LEU A 866 13.684 -4.352 14.522 1.00 0.00 C ATOM 1391 C LEU A 866 14.995 -3.957 13.852 1.00 0.00 C ATOM 1392 O LEU A 866 16.071 -4.177 14.404 1.00 0.00 O ATOM 1393 CB LEU A 866 13.138 -5.642 13.907 1.00 0.00 C ATOM 1394 CG LEU A 866 11.942 -6.249 14.639 1.00 0.00 C ATOM 1395 CD1 LEU A 866 11.069 -7.026 13.672 1.00 0.00 C ATOM 1396 CD2 LEU A 866 12.407 -7.145 15.777 1.00 0.00 C ATOM 0 H LEU A 866 11.911 -3.498 13.804 1.00 0.00 H new ATOM 0 HA LEU A 866 13.875 -4.527 15.581 1.00 0.00 H new ATOM 0 HB2 LEU A 866 12.850 -5.442 12.875 1.00 0.00 H new ATOM 0 HB3 LEU A 866 13.939 -6.380 13.877 1.00 0.00 H new ATOM 0 HG LEU A 866 11.351 -5.438 15.064 1.00 0.00 H new ATOM 0 HD11 LEU A 866 10.221 -7.452 14.209 1.00 0.00 H new ATOM 0 HD12 LEU A 866 10.705 -6.357 12.892 1.00 0.00 H new ATOM 0 HD13 LEU A 866 11.652 -7.828 13.219 1.00 0.00 H new ATOM 0 HD21 LEU A 866 11.540 -7.567 16.285 1.00 0.00 H new ATOM 0 HD22 LEU A 866 13.022 -7.952 15.377 1.00 0.00 H new ATOM 0 HD23 LEU A 866 12.993 -6.559 16.485 1.00 0.00 H new ATOM 1408 N ILE A 867 14.894 -3.356 12.673 1.00 0.00 N ATOM 1409 CA ILE A 867 16.066 -2.882 11.948 1.00 0.00 C ATOM 1410 C ILE A 867 16.761 -1.765 12.723 1.00 0.00 C ATOM 1411 O ILE A 867 17.984 -1.763 12.859 1.00 0.00 O ATOM 1412 CB ILE A 867 15.698 -2.362 10.539 1.00 0.00 C ATOM 1413 CG1 ILE A 867 14.922 -3.420 9.754 1.00 0.00 C ATOM 1414 CG2 ILE A 867 16.953 -1.965 9.777 1.00 0.00 C ATOM 1415 CD1 ILE A 867 14.064 -2.846 8.649 1.00 0.00 C ATOM 0 H ILE A 867 14.008 -3.185 12.197 1.00 0.00 H new ATOM 0 HA ILE A 867 16.739 -3.733 11.840 1.00 0.00 H new ATOM 0 HB ILE A 867 15.062 -1.484 10.657 1.00 0.00 H new ATOM 0 HG12 ILE A 867 15.627 -4.130 9.323 1.00 0.00 H new ATOM 0 HG13 ILE A 867 14.288 -3.978 10.442 1.00 0.00 H new ATOM 0 HG21 ILE A 867 16.678 -1.601 8.787 1.00 0.00 H new ATOM 0 HG22 ILE A 867 17.475 -1.178 10.321 1.00 0.00 H new ATOM 0 HG23 ILE A 867 17.607 -2.831 9.676 1.00 0.00 H new ATOM 0 HD11 ILE A 867 13.543 -3.654 8.136 1.00 0.00 H new ATOM 0 HD12 ILE A 867 13.334 -2.157 9.075 1.00 0.00 H new ATOM 0 HD13 ILE A 867 14.695 -2.312 7.939 1.00 0.00 H new ATOM 1427 N ARG A 868 15.966 -0.833 13.242 1.00 0.00 N ATOM 1428 CA ARG A 868 16.488 0.309 13.981 1.00 0.00 C ATOM 1429 C ARG A 868 17.253 -0.142 15.225 1.00 0.00 C ATOM 1430 O ARG A 868 18.231 0.487 15.628 1.00 0.00 O ATOM 1431 CB ARG A 868 15.339 1.257 14.367 1.00 0.00 C ATOM 1432 CG ARG A 868 14.681 0.934 15.697 1.00 0.00 C ATOM 1433 CD ARG A 868 15.140 1.859 16.811 1.00 0.00 C ATOM 1434 NE ARG A 868 15.826 3.052 16.312 1.00 0.00 N ATOM 1435 CZ ARG A 868 16.795 3.680 16.974 1.00 0.00 C ATOM 1436 NH1 ARG A 868 17.153 3.267 18.185 1.00 0.00 N ATOM 1437 NH2 ARG A 868 17.394 4.731 16.432 1.00 0.00 N ATOM 0 H ARG A 868 14.949 -0.849 13.162 1.00 0.00 H new ATOM 0 HA ARG A 868 17.186 0.844 13.337 1.00 0.00 H new ATOM 0 HB2 ARG A 868 15.722 2.277 14.403 1.00 0.00 H new ATOM 0 HB3 ARG A 868 14.581 1.228 13.584 1.00 0.00 H new ATOM 0 HG2 ARG A 868 13.599 1.007 15.591 1.00 0.00 H new ATOM 0 HG3 ARG A 868 14.906 -0.097 15.969 1.00 0.00 H new ATOM 0 HD2 ARG A 868 14.277 2.163 17.403 1.00 0.00 H new ATOM 0 HD3 ARG A 868 15.808 1.314 17.478 1.00 0.00 H new ATOM 0 HE ARG A 868 15.545 3.423 15.405 1.00 0.00 H new ATOM 0 HH11 ARG A 868 16.685 2.467 18.610 1.00 0.00 H new ATOM 0 HH12 ARG A 868 17.896 3.750 18.690 1.00 0.00 H new ATOM 0 HH21 ARG A 868 17.112 5.058 15.508 1.00 0.00 H new ATOM 0 HH22 ARG A 868 18.137 5.212 16.939 1.00 0.00 H new ATOM 1451 N GLU A 869 16.810 -1.232 15.838 1.00 0.00 N ATOM 1452 CA GLU A 869 17.456 -1.705 17.047 1.00 0.00 C ATOM 1453 C GLU A 869 18.358 -2.903 16.763 1.00 0.00 C ATOM 1454 O GLU A 869 18.825 -3.584 17.682 1.00 0.00 O ATOM 1455 CB GLU A 869 16.411 -2.002 18.121 1.00 0.00 C ATOM 1456 CG GLU A 869 15.760 -3.372 18.041 1.00 0.00 C ATOM 1457 CD GLU A 869 14.501 -3.431 18.877 1.00 0.00 C ATOM 1458 OE1 GLU A 869 14.142 -2.400 19.491 1.00 0.00 O ATOM 1459 OE2 GLU A 869 13.866 -4.502 18.932 1.00 0.00 O ATOM 0 H GLU A 869 16.020 -1.794 15.522 1.00 0.00 H new ATOM 0 HA GLU A 869 18.105 -0.917 17.429 1.00 0.00 H new ATOM 0 HB2 GLU A 869 16.882 -1.899 19.099 1.00 0.00 H new ATOM 0 HB3 GLU A 869 15.630 -1.244 18.062 1.00 0.00 H new ATOM 0 HG2 GLU A 869 15.521 -3.604 17.003 1.00 0.00 H new ATOM 0 HG3 GLU A 869 16.463 -4.132 18.384 1.00 0.00 H new ATOM 1466 N LYS A 870 18.609 -3.129 15.475 1.00 0.00 N ATOM 1467 CA LYS A 870 19.559 -4.137 15.008 1.00 0.00 C ATOM 1468 C LYS A 870 19.209 -5.542 15.503 1.00 0.00 C ATOM 1469 O LYS A 870 20.093 -6.330 15.850 1.00 0.00 O ATOM 1470 CB LYS A 870 20.984 -3.764 15.428 1.00 0.00 C ATOM 1471 CG LYS A 870 21.490 -2.479 14.787 1.00 0.00 C ATOM 1472 CD LYS A 870 22.041 -2.729 13.391 1.00 0.00 C ATOM 1473 CE LYS A 870 22.459 -1.432 12.709 1.00 0.00 C ATOM 1474 NZ LYS A 870 23.883 -1.095 12.977 1.00 0.00 N ATOM 0 H LYS A 870 18.155 -2.614 14.720 1.00 0.00 H new ATOM 0 HA LYS A 870 19.498 -4.155 13.920 1.00 0.00 H new ATOM 0 HB2 LYS A 870 21.019 -3.658 16.512 1.00 0.00 H new ATOM 0 HB3 LYS A 870 21.657 -4.581 15.166 1.00 0.00 H new ATOM 0 HG2 LYS A 870 20.678 -1.754 14.734 1.00 0.00 H new ATOM 0 HG3 LYS A 870 22.268 -2.041 15.413 1.00 0.00 H new ATOM 0 HD2 LYS A 870 22.898 -3.400 13.453 1.00 0.00 H new ATOM 0 HD3 LYS A 870 21.286 -3.231 12.786 1.00 0.00 H new ATOM 0 HE2 LYS A 870 22.304 -1.521 11.634 1.00 0.00 H new ATOM 0 HE3 LYS A 870 21.822 -0.618 13.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 870 24.126 -0.206 12.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 870 24.027 -0.984 14.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 870 24.493 -1.859 12.623 1.00 0.00 H new ATOM 1488 N ASP A 871 17.922 -5.852 15.540 1.00 0.00 N ATOM 1489 CA ASP A 871 17.480 -7.207 15.854 1.00 0.00 C ATOM 1490 C ASP A 871 17.409 -8.037 14.581 1.00 0.00 C ATOM 1491 O ASP A 871 16.345 -8.175 13.979 1.00 0.00 O ATOM 1492 CB ASP A 871 16.116 -7.193 16.544 1.00 0.00 C ATOM 1493 CG ASP A 871 15.789 -8.512 17.225 1.00 0.00 C ATOM 1494 OD1 ASP A 871 16.347 -9.557 16.831 1.00 0.00 O ATOM 1495 OD2 ASP A 871 14.968 -8.503 18.166 1.00 0.00 O ATOM 0 H ASP A 871 17.168 -5.190 15.358 1.00 0.00 H new ATOM 0 HA ASP A 871 18.203 -7.653 16.537 1.00 0.00 H new ATOM 0 HB2 ASP A 871 16.096 -6.392 17.283 1.00 0.00 H new ATOM 0 HB3 ASP A 871 15.344 -6.967 15.809 1.00 0.00 H new ATOM 1500 N VAL A 872 18.553 -8.575 14.176 1.00 0.00 N ATOM 1501 CA VAL A 872 18.647 -9.364 12.946 1.00 0.00 C ATOM 1502 C VAL A 872 17.675 -10.555 12.950 1.00 0.00 C ATOM 1503 O VAL A 872 16.881 -10.698 12.020 1.00 0.00 O ATOM 1504 CB VAL A 872 20.085 -9.875 12.688 1.00 0.00 C ATOM 1505 CG1 VAL A 872 20.359 -9.964 11.196 1.00 0.00 C ATOM 1506 CG2 VAL A 872 21.114 -8.979 13.364 1.00 0.00 C ATOM 0 H VAL A 872 19.434 -8.481 14.681 1.00 0.00 H new ATOM 0 HA VAL A 872 18.369 -8.687 12.138 1.00 0.00 H new ATOM 0 HB VAL A 872 20.170 -10.873 13.119 1.00 0.00 H new ATOM 0 HG11 VAL A 872 21.375 -10.325 11.033 1.00 0.00 H new ATOM 0 HG12 VAL A 872 19.651 -10.654 10.737 1.00 0.00 H new ATOM 0 HG13 VAL A 872 20.248 -8.977 10.746 1.00 0.00 H new ATOM 0 HG21 VAL A 872 22.115 -9.361 13.166 1.00 0.00 H new ATOM 0 HG22 VAL A 872 21.028 -7.966 12.971 1.00 0.00 H new ATOM 0 HG23 VAL A 872 20.936 -8.967 14.439 1.00 0.00 H new ATOM 1516 N PRO A 873 17.713 -11.430 13.984 1.00 0.00 N ATOM 1517 CA PRO A 873 16.785 -12.568 14.080 1.00 0.00 C ATOM 1518 C PRO A 873 15.323 -12.126 14.108 1.00 0.00 C ATOM 1519 O PRO A 873 14.444 -12.805 13.568 1.00 0.00 O ATOM 1520 CB PRO A 873 17.165 -13.240 15.403 1.00 0.00 C ATOM 1521 CG PRO A 873 18.560 -12.798 15.668 1.00 0.00 C ATOM 1522 CD PRO A 873 18.656 -11.405 15.118 1.00 0.00 C ATOM 0 HA PRO A 873 16.868 -13.228 13.216 1.00 0.00 H new ATOM 0 HB2 PRO A 873 16.495 -12.937 16.207 1.00 0.00 H new ATOM 0 HB3 PRO A 873 17.102 -14.326 15.328 1.00 0.00 H new ATOM 0 HG2 PRO A 873 18.779 -12.813 16.736 1.00 0.00 H new ATOM 0 HG3 PRO A 873 19.279 -13.460 15.185 1.00 0.00 H new ATOM 0 HD2 PRO A 873 18.375 -10.658 15.860 1.00 0.00 H new ATOM 0 HD3 PRO A 873 19.670 -11.168 14.795 1.00 0.00 H new ATOM 1530 N GLY A 874 15.069 -10.985 14.739 1.00 0.00 N ATOM 1531 CA GLY A 874 13.729 -10.437 14.771 1.00 0.00 C ATOM 1532 C GLY A 874 13.273 -9.990 13.398 1.00 0.00 C ATOM 1533 O GLY A 874 12.130 -10.234 13.007 1.00 0.00 O ATOM 0 H GLY A 874 15.770 -10.430 15.230 1.00 0.00 H new ATOM 0 HA2 GLY A 874 13.039 -11.187 15.157 1.00 0.00 H new ATOM 0 HA3 GLY A 874 13.698 -9.591 15.458 1.00 0.00 H new ATOM 1537 N ILE A 875 14.177 -9.345 12.667 1.00 0.00 N ATOM 1538 CA ILE A 875 13.907 -8.926 11.298 1.00 0.00 C ATOM 1539 C ILE A 875 13.487 -10.124 10.456 1.00 0.00 C ATOM 1540 O ILE A 875 12.455 -10.093 9.783 1.00 0.00 O ATOM 1541 CB ILE A 875 15.149 -8.262 10.658 1.00 0.00 C ATOM 1542 CG1 ILE A 875 15.416 -6.890 11.283 1.00 0.00 C ATOM 1543 CG2 ILE A 875 14.980 -8.130 9.151 1.00 0.00 C ATOM 1544 CD1 ILE A 875 16.857 -6.440 11.155 1.00 0.00 C ATOM 0 H ILE A 875 15.108 -9.100 13.004 1.00 0.00 H new ATOM 0 HA ILE A 875 13.099 -8.195 11.328 1.00 0.00 H new ATOM 0 HB ILE A 875 16.008 -8.905 10.853 1.00 0.00 H new ATOM 0 HG12 ILE A 875 14.769 -6.151 10.810 1.00 0.00 H new ATOM 0 HG13 ILE A 875 15.145 -6.921 12.338 1.00 0.00 H new ATOM 0 HG21 ILE A 875 15.867 -7.660 8.725 1.00 0.00 H new ATOM 0 HG22 ILE A 875 14.847 -9.119 8.712 1.00 0.00 H new ATOM 0 HG23 ILE A 875 14.105 -7.516 8.935 1.00 0.00 H new ATOM 0 HD11 ILE A 875 16.975 -5.461 11.619 1.00 0.00 H new ATOM 0 HD12 ILE A 875 17.508 -7.158 11.653 1.00 0.00 H new ATOM 0 HD13 ILE A 875 17.126 -6.377 10.101 1.00 0.00 H new ATOM 1556 N GLU A 876 14.282 -11.186 10.526 1.00 0.00 N ATOM 1557 CA GLU A 876 14.007 -12.413 9.787 1.00 0.00 C ATOM 1558 C GLU A 876 12.616 -12.945 10.110 1.00 0.00 C ATOM 1559 O GLU A 876 11.837 -13.255 9.209 1.00 0.00 O ATOM 1560 CB GLU A 876 15.052 -13.478 10.121 1.00 0.00 C ATOM 1561 CG GLU A 876 16.461 -13.107 9.695 1.00 0.00 C ATOM 1562 CD GLU A 876 17.351 -14.319 9.547 1.00 0.00 C ATOM 1563 OE1 GLU A 876 17.660 -14.963 10.571 1.00 0.00 O ATOM 1564 OE2 GLU A 876 17.737 -14.646 8.405 1.00 0.00 O ATOM 0 H GLU A 876 15.130 -11.221 11.092 1.00 0.00 H new ATOM 0 HA GLU A 876 14.053 -12.181 8.723 1.00 0.00 H new ATOM 0 HB2 GLU A 876 15.043 -13.658 11.196 1.00 0.00 H new ATOM 0 HB3 GLU A 876 14.771 -14.414 9.638 1.00 0.00 H new ATOM 0 HG2 GLU A 876 16.422 -12.569 8.748 1.00 0.00 H new ATOM 0 HG3 GLU A 876 16.894 -12.428 10.430 1.00 0.00 H new ATOM 1571 N LYS A 877 12.310 -13.014 11.402 1.00 0.00 N ATOM 1572 CA LYS A 877 11.036 -13.540 11.875 1.00 0.00 C ATOM 1573 C LYS A 877 9.864 -12.752 11.297 1.00 0.00 C ATOM 1574 O LYS A 877 8.914 -13.329 10.754 1.00 0.00 O ATOM 1575 CB LYS A 877 10.988 -13.482 13.404 1.00 0.00 C ATOM 1576 CG LYS A 877 10.948 -14.845 14.072 1.00 0.00 C ATOM 1577 CD LYS A 877 11.065 -14.728 15.586 1.00 0.00 C ATOM 1578 CE LYS A 877 9.852 -14.040 16.196 1.00 0.00 C ATOM 1579 NZ LYS A 877 10.213 -13.249 17.402 1.00 0.00 N ATOM 0 H LYS A 877 12.936 -12.708 12.147 1.00 0.00 H new ATOM 0 HA LYS A 877 10.951 -14.574 11.541 1.00 0.00 H new ATOM 0 HB2 LYS A 877 11.861 -12.937 13.764 1.00 0.00 H new ATOM 0 HB3 LYS A 877 10.109 -12.913 13.709 1.00 0.00 H new ATOM 0 HG2 LYS A 877 10.016 -15.350 13.816 1.00 0.00 H new ATOM 0 HG3 LYS A 877 11.761 -15.463 13.690 1.00 0.00 H new ATOM 0 HD2 LYS A 877 11.175 -15.722 16.020 1.00 0.00 H new ATOM 0 HD3 LYS A 877 11.965 -14.168 15.839 1.00 0.00 H new ATOM 0 HE2 LYS A 877 9.395 -13.384 15.455 1.00 0.00 H new ATOM 0 HE3 LYS A 877 9.106 -14.788 16.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 877 9.360 -12.796 17.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 877 10.626 -13.879 18.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 877 10.906 -12.518 17.143 1.00 0.00 H new ATOM 1593 N TYR A 878 9.942 -11.435 11.392 1.00 0.00 N ATOM 1594 CA TYR A 878 8.858 -10.587 10.931 1.00 0.00 C ATOM 1595 C TYR A 878 8.749 -10.618 9.414 1.00 0.00 C ATOM 1596 O TYR A 878 7.651 -10.542 8.868 1.00 0.00 O ATOM 1597 CB TYR A 878 9.040 -9.156 11.424 1.00 0.00 C ATOM 1598 CG TYR A 878 8.156 -8.822 12.602 1.00 0.00 C ATOM 1599 CD1 TYR A 878 8.394 -9.383 13.849 1.00 0.00 C ATOM 1600 CD2 TYR A 878 7.080 -7.956 12.465 1.00 0.00 C ATOM 1601 CE1 TYR A 878 7.585 -9.092 14.928 1.00 0.00 C ATOM 1602 CE2 TYR A 878 6.266 -7.659 13.540 1.00 0.00 C ATOM 1603 CZ TYR A 878 6.522 -8.230 14.770 1.00 0.00 C ATOM 1604 OH TYR A 878 5.716 -7.942 15.846 1.00 0.00 O ATOM 0 H TYR A 878 10.740 -10.933 11.782 1.00 0.00 H new ATOM 0 HA TYR A 878 7.929 -10.977 11.347 1.00 0.00 H new ATOM 0 HB2 TYR A 878 10.082 -9.004 11.704 1.00 0.00 H new ATOM 0 HB3 TYR A 878 8.825 -8.466 10.608 1.00 0.00 H new ATOM 0 HD1 TYR A 878 9.227 -10.059 13.977 1.00 0.00 H new ATOM 0 HD2 TYR A 878 6.877 -7.508 11.504 1.00 0.00 H new ATOM 0 HE1 TYR A 878 7.784 -9.538 15.891 1.00 0.00 H new ATOM 0 HE2 TYR A 878 5.433 -6.983 13.419 1.00 0.00 H new ATOM 0 HH TYR A 878 5.013 -7.318 15.570 1.00 0.00 H new ATOM 1614 N ILE A 879 9.883 -10.745 8.735 1.00 0.00 N ATOM 1615 CA ILE A 879 9.877 -10.841 7.282 1.00 0.00 C ATOM 1616 C ILE A 879 9.101 -12.078 6.838 1.00 0.00 C ATOM 1617 O ILE A 879 8.274 -12.001 5.932 1.00 0.00 O ATOM 1618 CB ILE A 879 11.310 -10.869 6.694 1.00 0.00 C ATOM 1619 CG1 ILE A 879 11.937 -9.475 6.767 1.00 0.00 C ATOM 1620 CG2 ILE A 879 11.300 -11.364 5.252 1.00 0.00 C ATOM 1621 CD1 ILE A 879 13.319 -9.393 6.151 1.00 0.00 C ATOM 0 H ILE A 879 10.808 -10.784 9.162 1.00 0.00 H new ATOM 0 HA ILE A 879 9.384 -9.948 6.899 1.00 0.00 H new ATOM 0 HB ILE A 879 11.907 -11.561 7.288 1.00 0.00 H new ATOM 0 HG12 ILE A 879 11.282 -8.765 6.262 1.00 0.00 H new ATOM 0 HG13 ILE A 879 11.996 -9.168 7.811 1.00 0.00 H new ATOM 0 HG21 ILE A 879 12.318 -11.374 4.864 1.00 0.00 H new ATOM 0 HG22 ILE A 879 10.888 -12.373 5.216 1.00 0.00 H new ATOM 0 HG23 ILE A 879 10.686 -10.700 4.644 1.00 0.00 H new ATOM 0 HD11 ILE A 879 13.698 -8.375 6.241 1.00 0.00 H new ATOM 0 HD12 ILE A 879 13.990 -10.077 6.671 1.00 0.00 H new ATOM 0 HD13 ILE A 879 13.265 -9.668 5.098 1.00 0.00 H new ATOM 1633 N SER A 880 9.337 -13.208 7.500 1.00 0.00 N ATOM 1634 CA SER A 880 8.620 -14.433 7.174 1.00 0.00 C ATOM 1635 C SER A 880 7.128 -14.287 7.472 1.00 0.00 C ATOM 1636 O SER A 880 6.291 -14.819 6.747 1.00 0.00 O ATOM 1637 CB SER A 880 9.196 -15.622 7.943 1.00 0.00 C ATOM 1638 OG SER A 880 9.884 -15.198 9.110 1.00 0.00 O ATOM 0 H SER A 880 10.013 -13.299 8.258 1.00 0.00 H new ATOM 0 HA SER A 880 8.744 -14.617 6.107 1.00 0.00 H new ATOM 0 HB2 SER A 880 8.391 -16.303 8.220 1.00 0.00 H new ATOM 0 HB3 SER A 880 9.877 -16.179 7.299 1.00 0.00 H new ATOM 0 HG SER A 880 9.317 -14.580 9.617 1.00 0.00 H new ATOM 1644 N ASP A 881 6.797 -13.553 8.534 1.00 0.00 N ATOM 1645 CA ASP A 881 5.397 -13.334 8.900 1.00 0.00 C ATOM 1646 C ASP A 881 4.708 -12.402 7.905 1.00 0.00 C ATOM 1647 O ASP A 881 3.537 -12.580 7.578 1.00 0.00 O ATOM 1648 CB ASP A 881 5.288 -12.768 10.317 1.00 0.00 C ATOM 1649 CG ASP A 881 3.900 -12.948 10.907 1.00 0.00 C ATOM 1650 OD1 ASP A 881 3.295 -14.024 10.712 1.00 0.00 O ATOM 1651 OD2 ASP A 881 3.408 -12.013 11.572 1.00 0.00 O ATOM 0 H ASP A 881 7.472 -13.103 9.152 1.00 0.00 H new ATOM 0 HA ASP A 881 4.892 -14.300 8.871 1.00 0.00 H new ATOM 0 HB2 ASP A 881 6.019 -13.259 10.959 1.00 0.00 H new ATOM 0 HB3 ASP A 881 5.539 -11.707 10.302 1.00 0.00 H new ATOM 1656 N ILE A 882 5.440 -11.413 7.418 1.00 0.00 N ATOM 1657 CA ILE A 882 4.931 -10.537 6.370 1.00 0.00 C ATOM 1658 C ILE A 882 4.801 -11.313 5.060 1.00 0.00 C ATOM 1659 O ILE A 882 3.870 -11.101 4.279 1.00 0.00 O ATOM 1660 CB ILE A 882 5.852 -9.310 6.161 1.00 0.00 C ATOM 1661 CG1 ILE A 882 5.834 -8.413 7.400 1.00 0.00 C ATOM 1662 CG2 ILE A 882 5.431 -8.514 4.931 1.00 0.00 C ATOM 1663 CD1 ILE A 882 6.973 -7.416 7.448 1.00 0.00 C ATOM 0 H ILE A 882 6.387 -11.195 7.729 1.00 0.00 H new ATOM 0 HA ILE A 882 3.951 -10.176 6.682 1.00 0.00 H new ATOM 0 HB ILE A 882 6.867 -9.674 6.002 1.00 0.00 H new ATOM 0 HG12 ILE A 882 4.888 -7.872 7.432 1.00 0.00 H new ATOM 0 HG13 ILE A 882 5.873 -9.039 8.291 1.00 0.00 H new ATOM 0 HG21 ILE A 882 6.094 -7.658 4.807 1.00 0.00 H new ATOM 0 HG22 ILE A 882 5.491 -9.150 4.048 1.00 0.00 H new ATOM 0 HG23 ILE A 882 4.406 -8.164 5.057 1.00 0.00 H new ATOM 0 HD11 ILE A 882 6.893 -6.816 8.354 1.00 0.00 H new ATOM 0 HD12 ILE A 882 7.924 -7.949 7.448 1.00 0.00 H new ATOM 0 HD13 ILE A 882 6.923 -6.764 6.576 1.00 0.00 H new ATOM 1675 N ASP A 883 5.721 -12.245 4.859 1.00 0.00 N ATOM 1676 CA ASP A 883 5.778 -13.028 3.636 1.00 0.00 C ATOM 1677 C ASP A 883 4.606 -13.982 3.592 1.00 0.00 C ATOM 1678 O ASP A 883 3.929 -14.120 2.573 1.00 0.00 O ATOM 1679 CB ASP A 883 7.086 -13.813 3.589 1.00 0.00 C ATOM 1680 CG ASP A 883 7.325 -14.472 2.251 1.00 0.00 C ATOM 1681 OD1 ASP A 883 7.817 -13.798 1.328 1.00 0.00 O ATOM 1682 OD2 ASP A 883 7.027 -15.674 2.115 1.00 0.00 O ATOM 0 H ASP A 883 6.446 -12.478 5.537 1.00 0.00 H new ATOM 0 HA ASP A 883 5.731 -12.360 2.776 1.00 0.00 H new ATOM 0 HB2 ASP A 883 7.915 -13.142 3.812 1.00 0.00 H new ATOM 0 HB3 ASP A 883 7.075 -14.576 4.368 1.00 0.00 H new ATOM 1687 N SER A 884 4.367 -14.621 4.723 1.00 0.00 N ATOM 1688 CA SER A 884 3.251 -15.526 4.875 1.00 0.00 C ATOM 1689 C SER A 884 1.938 -14.767 4.748 1.00 0.00 C ATOM 1690 O SER A 884 0.995 -15.243 4.119 1.00 0.00 O ATOM 1691 CB SER A 884 3.352 -16.223 6.226 1.00 0.00 C ATOM 1692 OG SER A 884 3.721 -15.315 7.243 1.00 0.00 O ATOM 0 H SER A 884 4.943 -14.525 5.559 1.00 0.00 H new ATOM 0 HA SER A 884 3.278 -16.279 4.087 1.00 0.00 H new ATOM 0 HB2 SER A 884 2.395 -16.681 6.474 1.00 0.00 H new ATOM 0 HB3 SER A 884 4.085 -17.027 6.169 1.00 0.00 H new ATOM 0 HG SER A 884 4.697 -15.306 7.335 1.00 0.00 H new ATOM 1698 N TYR A 885 1.905 -13.570 5.330 1.00 0.00 N ATOM 1699 CA TYR A 885 0.746 -12.687 5.239 1.00 0.00 C ATOM 1700 C TYR A 885 0.406 -12.427 3.787 1.00 0.00 C ATOM 1701 O TYR A 885 -0.712 -12.680 3.325 1.00 0.00 O ATOM 1702 CB TYR A 885 1.046 -11.347 5.908 1.00 0.00 C ATOM 1703 CG TYR A 885 -0.099 -10.791 6.723 1.00 0.00 C ATOM 1704 CD1 TYR A 885 -0.703 -11.544 7.719 1.00 0.00 C ATOM 1705 CD2 TYR A 885 -0.581 -9.508 6.485 1.00 0.00 C ATOM 1706 CE1 TYR A 885 -1.754 -11.034 8.458 1.00 0.00 C ATOM 1707 CE2 TYR A 885 -1.630 -8.990 7.221 1.00 0.00 C ATOM 1708 CZ TYR A 885 -2.214 -9.759 8.205 1.00 0.00 C ATOM 1709 OH TYR A 885 -3.262 -9.249 8.939 1.00 0.00 O ATOM 0 H TYR A 885 2.677 -13.187 5.875 1.00 0.00 H new ATOM 0 HA TYR A 885 -0.091 -13.173 5.741 1.00 0.00 H new ATOM 0 HB2 TYR A 885 1.915 -11.463 6.555 1.00 0.00 H new ATOM 0 HB3 TYR A 885 1.316 -10.622 5.140 1.00 0.00 H new ATOM 0 HD1 TYR A 885 -0.347 -12.544 7.920 1.00 0.00 H new ATOM 0 HD2 TYR A 885 -0.128 -8.906 5.711 1.00 0.00 H new ATOM 0 HE1 TYR A 885 -2.213 -11.632 9.231 1.00 0.00 H new ATOM 0 HE2 TYR A 885 -1.989 -7.990 7.027 1.00 0.00 H new ATOM 0 HH TYR A 885 -3.255 -9.643 9.836 1.00 0.00 H new ATOM 1719 N VAL A 886 1.404 -11.933 3.079 1.00 0.00 N ATOM 1720 CA VAL A 886 1.279 -11.575 1.686 1.00 0.00 C ATOM 1721 C VAL A 886 0.921 -12.797 0.839 1.00 0.00 C ATOM 1722 O VAL A 886 0.140 -12.695 -0.101 1.00 0.00 O ATOM 1723 CB VAL A 886 2.594 -10.917 1.208 1.00 0.00 C ATOM 1724 CG1 VAL A 886 2.940 -11.279 -0.233 1.00 0.00 C ATOM 1725 CG2 VAL A 886 2.516 -9.409 1.378 1.00 0.00 C ATOM 0 H VAL A 886 2.334 -11.768 3.463 1.00 0.00 H new ATOM 0 HA VAL A 886 0.467 -10.857 1.568 1.00 0.00 H new ATOM 0 HB VAL A 886 3.398 -11.309 1.831 1.00 0.00 H new ATOM 0 HG11 VAL A 886 3.872 -10.790 -0.517 1.00 0.00 H new ATOM 0 HG12 VAL A 886 3.056 -12.359 -0.319 1.00 0.00 H new ATOM 0 HG13 VAL A 886 2.140 -10.946 -0.894 1.00 0.00 H new ATOM 0 HG21 VAL A 886 3.447 -8.956 1.038 1.00 0.00 H new ATOM 0 HG22 VAL A 886 1.686 -9.019 0.788 1.00 0.00 H new ATOM 0 HG23 VAL A 886 2.358 -9.169 2.429 1.00 0.00 H new ATOM 1735 N LYS A 887 1.464 -13.955 1.197 1.00 0.00 N ATOM 1736 CA LYS A 887 1.182 -15.185 0.471 1.00 0.00 C ATOM 1737 C LYS A 887 -0.286 -15.593 0.606 1.00 0.00 C ATOM 1738 O LYS A 887 -0.885 -16.073 -0.355 1.00 0.00 O ATOM 1739 CB LYS A 887 2.093 -16.311 0.951 1.00 0.00 C ATOM 1740 CG LYS A 887 3.080 -16.770 -0.106 1.00 0.00 C ATOM 1741 CD LYS A 887 4.511 -16.439 0.280 1.00 0.00 C ATOM 1742 CE LYS A 887 5.287 -15.864 -0.895 1.00 0.00 C ATOM 1743 NZ LYS A 887 6.714 -15.623 -0.557 1.00 0.00 N ATOM 0 H LYS A 887 2.102 -14.067 1.985 1.00 0.00 H new ATOM 0 HA LYS A 887 1.380 -14.998 -0.584 1.00 0.00 H new ATOM 0 HB2 LYS A 887 2.642 -15.976 1.831 1.00 0.00 H new ATOM 0 HB3 LYS A 887 1.481 -17.158 1.261 1.00 0.00 H new ATOM 0 HG2 LYS A 887 2.982 -17.846 -0.253 1.00 0.00 H new ATOM 0 HG3 LYS A 887 2.841 -16.296 -1.058 1.00 0.00 H new ATOM 0 HD2 LYS A 887 4.511 -15.723 1.102 1.00 0.00 H new ATOM 0 HD3 LYS A 887 5.009 -17.339 0.641 1.00 0.00 H new ATOM 0 HE2 LYS A 887 5.226 -16.550 -1.740 1.00 0.00 H new ATOM 0 HE3 LYS A 887 4.826 -14.928 -1.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 887 6.891 -14.599 -0.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 887 6.930 -16.055 0.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 887 7.320 -16.046 -1.289 1.00 0.00 H new ATOM 1757 N SER A 888 -0.865 -15.406 1.789 1.00 0.00 N ATOM 1758 CA SER A 888 -2.286 -15.681 1.981 1.00 0.00 C ATOM 1759 C SER A 888 -3.133 -14.606 1.302 1.00 0.00 C ATOM 1760 O SER A 888 -4.279 -14.846 0.927 1.00 0.00 O ATOM 1761 CB SER A 888 -2.637 -15.767 3.471 1.00 0.00 C ATOM 1762 OG SER A 888 -1.683 -15.088 4.268 1.00 0.00 O ATOM 0 H SER A 888 -0.379 -15.069 2.620 1.00 0.00 H new ATOM 0 HA SER A 888 -2.505 -16.646 1.524 1.00 0.00 H new ATOM 0 HB2 SER A 888 -3.625 -15.338 3.639 1.00 0.00 H new ATOM 0 HB3 SER A 888 -2.688 -16.813 3.774 1.00 0.00 H new ATOM 0 HG SER A 888 -1.503 -14.205 3.882 1.00 0.00 H new ATOM 1768 N LEU A 889 -2.556 -13.419 1.150 1.00 0.00 N ATOM 1769 CA LEU A 889 -3.231 -12.320 0.470 1.00 0.00 C ATOM 1770 C LEU A 889 -3.198 -12.518 -1.045 1.00 0.00 C ATOM 1771 O LEU A 889 -4.040 -11.986 -1.766 1.00 0.00 O ATOM 1772 CB LEU A 889 -2.579 -10.988 0.841 1.00 0.00 C ATOM 1773 CG LEU A 889 -3.216 -10.264 2.029 1.00 0.00 C ATOM 1774 CD1 LEU A 889 -2.162 -9.502 2.814 1.00 0.00 C ATOM 1775 CD2 LEU A 889 -4.309 -9.324 1.552 1.00 0.00 C ATOM 0 H LEU A 889 -1.621 -13.193 1.489 1.00 0.00 H new ATOM 0 HA LEU A 889 -4.272 -12.306 0.793 1.00 0.00 H new ATOM 0 HB2 LEU A 889 -1.527 -11.166 1.065 1.00 0.00 H new ATOM 0 HB3 LEU A 889 -2.613 -10.330 -0.027 1.00 0.00 H new ATOM 0 HG LEU A 889 -3.664 -11.008 2.688 1.00 0.00 H new ATOM 0 HD11 LEU A 889 -2.632 -8.993 3.655 1.00 0.00 H new ATOM 0 HD12 LEU A 889 -1.411 -10.199 3.185 1.00 0.00 H new ATOM 0 HD13 LEU A 889 -1.686 -8.767 2.165 1.00 0.00 H new ATOM 0 HD21 LEU A 889 -4.752 -8.817 2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 889 -3.883 -8.585 0.873 1.00 0.00 H new ATOM 0 HD23 LEU A 889 -5.078 -9.895 1.031 1.00 0.00 H new ATOM 1787 N LEU A 890 -2.219 -13.280 -1.514 1.00 0.00 N ATOM 1788 CA LEU A 890 -2.099 -13.595 -2.932 1.00 0.00 C ATOM 1789 C LEU A 890 -3.038 -14.737 -3.298 1.00 0.00 C ATOM 1790 O LEU A 890 -2.971 -15.793 -2.637 1.00 0.00 O ATOM 1791 CB LEU A 890 -0.660 -13.992 -3.277 1.00 0.00 C ATOM 1792 CG LEU A 890 0.376 -12.870 -3.187 1.00 0.00 C ATOM 1793 CD1 LEU A 890 1.773 -13.450 -3.026 1.00 0.00 C ATOM 1794 CD2 LEU A 890 0.308 -11.982 -4.418 1.00 0.00 C ATOM 1795 OXT LEU A 890 -3.830 -14.585 -4.247 1.00 0.00 O ATOM 0 H LEU A 890 -1.492 -13.694 -0.930 1.00 0.00 H new ATOM 0 HA LEU A 890 -2.369 -12.705 -3.501 1.00 0.00 H new ATOM 0 HB2 LEU A 890 -0.355 -14.798 -2.610 1.00 0.00 H new ATOM 0 HB3 LEU A 890 -0.646 -14.394 -4.290 1.00 0.00 H new ATOM 0 HG LEU A 890 0.151 -12.261 -2.311 1.00 0.00 H new ATOM 0 HD11 LEU A 890 2.499 -12.639 -2.963 1.00 0.00 H new ATOM 0 HD12 LEU A 890 1.816 -14.047 -2.115 1.00 0.00 H new ATOM 0 HD13 LEU A 890 2.006 -14.080 -3.884 1.00 0.00 H new ATOM 0 HD21 LEU A 890 1.052 -11.190 -4.337 1.00 0.00 H new ATOM 0 HD22 LEU A 890 0.509 -12.578 -5.308 1.00 0.00 H new ATOM 0 HD23 LEU A 890 -0.686 -11.540 -4.494 1.00 0.00 H new TER 1807 LEU A 890