USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=27 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 810 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 850 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 802 ASN : amide:sc= 0 X(o=0.49,f=0.46) USER MOD Set 2.2: A 811 TYR OH : rot -15:sc= 0.486 USER MOD Set 3.1: A 795 SER OG : rot 146:sc= 0.626 USER MOD Set 3.2: A 804 GLN : amide:sc= 0.171 K(o=0.69,f=-0.66) USER MOD Set 3.3: A 852 ASN : amide:sc= -0.111 K(o=0.69,f=-3.5!) USER MOD Single : A 775 MET CE :methyl 167:sc= -0.284 (180deg=-0.557) USER MOD Single : A 776 GLN : amide:sc= -0.0374 X(o=-0.037,f=0) USER MOD Single : A 781 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 786 GLN : amide:sc= -0.452 X(o=-0.45,f=-0.51) USER MOD Single : A 789 GLN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 793 THR OG1 : rot 180:sc= 0 USER MOD Single : A 806 HIS :FLIP no HD1:sc= -0.413 F(o=-3.3!,f=-0.41) USER MOD Single : A 808 SER OG : rot 49:sc= 0.239 USER MOD Single : A 817 THR OG1 : rot -71:sc= 1.28 USER MOD Single : A 823 LYS NZ :NH3+ 150:sc= 1.24 (180deg=1.22) USER MOD Single : A 826 TYR OH : rot 180:sc= 0 USER MOD Single : A 827 THR OG1 : rot 70:sc= 0.951 USER MOD Single : A 831 THR OG1 : rot 180:sc= 0.0281 USER MOD Single : A 832 SER OG : rot 180:sc= -0.036 USER MOD Single : A 839 GLN : amide:sc= -0.769 K(o=-0.77,f=-1.8!) USER MOD Single : A 840 THR OG1 : rot 82:sc= 1.34 USER MOD Single : A 842 HIS : no HE2:sc= 0.76 K(o=0.76,f=-6.2!) USER MOD Single : A 845 LYS NZ :NH3+ -163:sc= -0.418 (180deg=-0.737) USER MOD Single : A 857 LYS NZ :NH3+ -164:sc= 1.21 (180deg=0.153) USER MOD Single : A 858 GLN : amide:sc= 0 X(o=0,f=-0.0088) USER MOD Single : A 860 CYS SG : rot 61:sc= 0.313 USER MOD Single : A 862 THR OG1 : rot 75:sc= 0.614 USER MOD Single : A 865 HIS :FLIP no HD1:sc=-0.00758 F(o=-0.54,f=-0.0076) USER MOD Single : A 870 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 877 LYS NZ :NH3+ 153:sc= 1.2 (180deg=-0.15) USER MOD Single : A 878 TYR OH : rot 180:sc= 0 USER MOD Single : A 880 SER OG : rot 60:sc= 0.297 USER MOD Single : A 884 SER OG : rot -87:sc= -0.123 USER MOD Single : A 885 TYR OH : rot 30:sc= -0.113 USER MOD Single : A 887 LYS NZ :NH3+ -135:sc= 0.791 (180deg=-0.723!) USER MOD Single : A 888 SER OG : rot 180:sc= -0.136 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 775 -30.223 22.143 -33.518 1.00 0.00 N ATOM 2 CA MET A 775 -28.802 22.096 -33.111 1.00 0.00 C ATOM 3 C MET A 775 -27.925 22.762 -34.163 1.00 0.00 C ATOM 4 O MET A 775 -27.692 22.207 -35.237 1.00 0.00 O ATOM 5 CB MET A 775 -28.360 20.645 -32.903 1.00 0.00 C ATOM 6 CG MET A 775 -26.914 20.504 -32.464 1.00 0.00 C ATOM 7 SD MET A 775 -26.129 19.021 -33.132 1.00 0.00 S ATOM 8 CE MET A 775 -25.747 19.555 -34.800 1.00 0.00 C ATOM 0 HA MET A 775 -28.693 22.638 -32.171 1.00 0.00 H new ATOM 0 HB2 MET A 775 -29.004 20.182 -32.155 1.00 0.00 H new ATOM 0 HB3 MET A 775 -28.504 20.094 -33.833 1.00 0.00 H new ATOM 0 HG2 MET A 775 -26.354 21.383 -32.783 1.00 0.00 H new ATOM 0 HG3 MET A 775 -26.869 20.476 -31.375 1.00 0.00 H new ATOM 0 HE1 MET A 775 -25.062 18.844 -35.262 1.00 0.00 H new ATOM 0 HE2 MET A 775 -26.665 19.606 -35.385 1.00 0.00 H new ATOM 0 HE3 MET A 775 -25.281 20.540 -34.769 1.00 0.00 H new ATOM 20 N GLN A 776 -27.455 23.961 -33.857 1.00 0.00 N ATOM 21 CA GLN A 776 -26.549 24.675 -34.748 1.00 0.00 C ATOM 22 C GLN A 776 -25.333 25.181 -33.978 1.00 0.00 C ATOM 23 O GLN A 776 -24.280 24.545 -33.982 1.00 0.00 O ATOM 24 CB GLN A 776 -27.258 25.838 -35.453 1.00 0.00 C ATOM 25 CG GLN A 776 -28.483 26.369 -34.725 1.00 0.00 C ATOM 26 CD GLN A 776 -29.434 27.103 -35.651 1.00 0.00 C ATOM 27 OE1 GLN A 776 -30.644 26.880 -35.621 1.00 0.00 O ATOM 28 NE2 GLN A 776 -28.898 27.984 -36.481 1.00 0.00 N ATOM 0 H GLN A 776 -27.685 24.462 -32.999 1.00 0.00 H new ATOM 0 HA GLN A 776 -26.214 23.975 -35.514 1.00 0.00 H new ATOM 0 HB2 GLN A 776 -26.547 26.654 -35.583 1.00 0.00 H new ATOM 0 HB3 GLN A 776 -27.557 25.513 -36.450 1.00 0.00 H new ATOM 0 HG2 GLN A 776 -29.009 25.540 -34.252 1.00 0.00 H new ATOM 0 HG3 GLN A 776 -28.165 27.041 -33.928 1.00 0.00 H new ATOM 0 HE21 GLN A 776 -27.890 28.141 -36.476 1.00 0.00 H new ATOM 0 HE22 GLN A 776 -29.493 28.505 -37.125 1.00 0.00 H new ATOM 37 N GLU A 777 -25.490 26.312 -33.302 1.00 0.00 N ATOM 38 CA GLU A 777 -24.403 26.889 -32.523 1.00 0.00 C ATOM 39 C GLU A 777 -24.170 26.053 -31.275 1.00 0.00 C ATOM 40 O GLU A 777 -23.032 25.758 -30.907 1.00 0.00 O ATOM 41 CB GLU A 777 -24.707 28.344 -32.137 1.00 0.00 C ATOM 42 CG GLU A 777 -26.167 28.739 -32.304 1.00 0.00 C ATOM 43 CD GLU A 777 -27.063 28.127 -31.248 1.00 0.00 C ATOM 44 OE1 GLU A 777 -27.100 28.646 -30.117 1.00 0.00 O ATOM 45 OE2 GLU A 777 -27.729 27.116 -31.548 1.00 0.00 O ATOM 0 H GLU A 777 -26.358 26.847 -33.278 1.00 0.00 H new ATOM 0 HA GLU A 777 -23.501 26.888 -33.136 1.00 0.00 H new ATOM 0 HB2 GLU A 777 -24.416 28.502 -31.099 1.00 0.00 H new ATOM 0 HB3 GLU A 777 -24.091 29.006 -32.745 1.00 0.00 H new ATOM 0 HG2 GLU A 777 -26.252 29.825 -32.262 1.00 0.00 H new ATOM 0 HG3 GLU A 777 -26.512 28.430 -33.291 1.00 0.00 H new ATOM 52 N ALA A 778 -25.262 25.658 -30.636 1.00 0.00 N ATOM 53 CA ALA A 778 -25.194 24.781 -29.484 1.00 0.00 C ATOM 54 C ALA A 778 -25.055 23.337 -29.938 1.00 0.00 C ATOM 55 O ALA A 778 -25.911 22.495 -29.671 1.00 0.00 O ATOM 56 CB ALA A 778 -26.421 24.956 -28.605 1.00 0.00 C ATOM 0 H ALA A 778 -26.208 25.934 -30.900 1.00 0.00 H new ATOM 0 HA ALA A 778 -24.317 25.045 -28.892 1.00 0.00 H new ATOM 0 HB1 ALA A 778 -26.351 24.289 -27.746 1.00 0.00 H new ATOM 0 HB2 ALA A 778 -26.477 25.988 -28.260 1.00 0.00 H new ATOM 0 HB3 ALA A 778 -27.316 24.716 -29.178 1.00 0.00 H new ATOM 62 N VAL A 779 -23.979 23.071 -30.664 1.00 0.00 N ATOM 63 CA VAL A 779 -23.668 21.724 -31.100 1.00 0.00 C ATOM 64 C VAL A 779 -23.103 20.933 -29.921 1.00 0.00 C ATOM 65 O VAL A 779 -23.065 19.701 -29.926 1.00 0.00 O ATOM 66 CB VAL A 779 -22.666 21.735 -32.284 1.00 0.00 C ATOM 67 CG1 VAL A 779 -21.293 22.204 -31.833 1.00 0.00 C ATOM 68 CG2 VAL A 779 -22.576 20.364 -32.938 1.00 0.00 C ATOM 0 H VAL A 779 -23.306 23.776 -30.963 1.00 0.00 H new ATOM 0 HA VAL A 779 -24.582 21.246 -31.453 1.00 0.00 H new ATOM 0 HB VAL A 779 -23.039 22.441 -33.026 1.00 0.00 H new ATOM 0 HG11 VAL A 779 -20.611 22.202 -32.683 1.00 0.00 H new ATOM 0 HG12 VAL A 779 -21.368 23.214 -31.430 1.00 0.00 H new ATOM 0 HG13 VAL A 779 -20.914 21.533 -31.062 1.00 0.00 H new ATOM 0 HG21 VAL A 779 -21.867 20.401 -33.765 1.00 0.00 H new ATOM 0 HG22 VAL A 779 -22.240 19.632 -32.204 1.00 0.00 H new ATOM 0 HG23 VAL A 779 -23.557 20.075 -33.315 1.00 0.00 H new ATOM 78 N LEU A 780 -22.681 21.668 -28.902 1.00 0.00 N ATOM 79 CA LEU A 780 -22.183 21.075 -27.674 1.00 0.00 C ATOM 80 C LEU A 780 -23.353 20.679 -26.780 1.00 0.00 C ATOM 81 O LEU A 780 -24.495 21.060 -27.043 1.00 0.00 O ATOM 82 CB LEU A 780 -21.269 22.061 -26.943 1.00 0.00 C ATOM 83 CG LEU A 780 -21.496 23.536 -27.282 1.00 0.00 C ATOM 84 CD1 LEU A 780 -21.793 24.335 -26.023 1.00 0.00 C ATOM 85 CD2 LEU A 780 -20.286 24.115 -28.004 1.00 0.00 C ATOM 0 H LEU A 780 -22.675 22.688 -28.905 1.00 0.00 H new ATOM 0 HA LEU A 780 -21.606 20.183 -27.919 1.00 0.00 H new ATOM 0 HB2 LEU A 780 -21.402 21.927 -25.869 1.00 0.00 H new ATOM 0 HB3 LEU A 780 -20.233 21.808 -27.170 1.00 0.00 H new ATOM 0 HG LEU A 780 -22.358 23.603 -27.946 1.00 0.00 H new ATOM 0 HD11 LEU A 780 -21.951 25.381 -26.285 1.00 0.00 H new ATOM 0 HD12 LEU A 780 -22.690 23.941 -25.545 1.00 0.00 H new ATOM 0 HD13 LEU A 780 -20.951 24.257 -25.335 1.00 0.00 H new ATOM 0 HD21 LEU A 780 -20.468 25.164 -28.236 1.00 0.00 H new ATOM 0 HD22 LEU A 780 -19.407 24.032 -27.365 1.00 0.00 H new ATOM 0 HD23 LEU A 780 -20.116 23.564 -28.929 1.00 0.00 H new ATOM 97 N GLN A 781 -23.072 19.918 -25.733 1.00 0.00 N ATOM 98 CA GLN A 781 -24.114 19.443 -24.835 1.00 0.00 C ATOM 99 C GLN A 781 -24.539 20.538 -23.858 1.00 0.00 C ATOM 100 O GLN A 781 -25.279 21.457 -24.214 1.00 0.00 O ATOM 101 CB GLN A 781 -23.630 18.217 -24.055 1.00 0.00 C ATOM 102 CG GLN A 781 -22.833 17.227 -24.884 1.00 0.00 C ATOM 103 CD GLN A 781 -22.164 16.169 -24.030 1.00 0.00 C ATOM 104 OE1 GLN A 781 -22.838 15.366 -23.386 1.00 0.00 O ATOM 105 NE2 GLN A 781 -20.842 16.169 -24.009 1.00 0.00 N ATOM 0 H GLN A 781 -22.130 19.616 -25.484 1.00 0.00 H new ATOM 0 HA GLN A 781 -24.975 19.166 -25.443 1.00 0.00 H new ATOM 0 HB2 GLN A 781 -23.016 18.551 -23.219 1.00 0.00 H new ATOM 0 HB3 GLN A 781 -24.494 17.706 -23.631 1.00 0.00 H new ATOM 0 HG2 GLN A 781 -23.494 16.745 -25.604 1.00 0.00 H new ATOM 0 HG3 GLN A 781 -22.075 17.762 -25.455 1.00 0.00 H new ATOM 0 HE21 GLN A 781 -20.323 16.854 -24.559 1.00 0.00 H new ATOM 0 HE22 GLN A 781 -20.341 15.484 -23.443 1.00 0.00 H new ATOM 114 N LEU A 782 -24.067 20.425 -22.625 1.00 0.00 N ATOM 115 CA LEU A 782 -24.384 21.385 -21.582 1.00 0.00 C ATOM 116 C LEU A 782 -23.192 21.525 -20.644 1.00 0.00 C ATOM 117 O LEU A 782 -22.653 22.613 -20.467 1.00 0.00 O ATOM 118 CB LEU A 782 -25.644 20.959 -20.810 1.00 0.00 C ATOM 119 CG LEU A 782 -25.650 19.519 -20.283 1.00 0.00 C ATOM 120 CD1 LEU A 782 -26.223 19.470 -18.876 1.00 0.00 C ATOM 121 CD2 LEU A 782 -26.443 18.610 -21.209 1.00 0.00 C ATOM 0 H LEU A 782 -23.455 19.667 -22.322 1.00 0.00 H new ATOM 0 HA LEU A 782 -24.592 22.352 -22.039 1.00 0.00 H new ATOM 0 HB2 LEU A 782 -25.775 21.635 -19.965 1.00 0.00 H new ATOM 0 HB3 LEU A 782 -26.508 21.091 -21.461 1.00 0.00 H new ATOM 0 HG LEU A 782 -24.620 19.163 -20.252 1.00 0.00 H new ATOM 0 HD11 LEU A 782 -26.220 18.441 -18.517 1.00 0.00 H new ATOM 0 HD12 LEU A 782 -25.615 20.087 -18.214 1.00 0.00 H new ATOM 0 HD13 LEU A 782 -27.246 19.847 -18.886 1.00 0.00 H new ATOM 0 HD21 LEU A 782 -26.434 17.593 -20.816 1.00 0.00 H new ATOM 0 HD22 LEU A 782 -27.472 18.965 -21.274 1.00 0.00 H new ATOM 0 HD23 LEU A 782 -25.992 18.619 -22.201 1.00 0.00 H new ATOM 133 N ILE A 783 -22.781 20.406 -20.057 1.00 0.00 N ATOM 134 CA ILE A 783 -21.581 20.357 -19.229 1.00 0.00 C ATOM 135 C ILE A 783 -20.732 19.163 -19.650 1.00 0.00 C ATOM 136 O ILE A 783 -19.894 19.266 -20.545 1.00 0.00 O ATOM 137 CB ILE A 783 -21.909 20.235 -17.717 1.00 0.00 C ATOM 138 CG1 ILE A 783 -23.026 21.206 -17.313 1.00 0.00 C ATOM 139 CG2 ILE A 783 -20.658 20.475 -16.873 1.00 0.00 C ATOM 140 CD1 ILE A 783 -22.579 22.651 -17.211 1.00 0.00 C ATOM 0 H ILE A 783 -23.266 19.513 -20.141 1.00 0.00 H new ATOM 0 HA ILE A 783 -21.042 21.293 -19.376 1.00 0.00 H new ATOM 0 HB ILE A 783 -22.262 19.220 -17.532 1.00 0.00 H new ATOM 0 HG12 ILE A 783 -23.834 21.137 -18.041 1.00 0.00 H new ATOM 0 HG13 ILE A 783 -23.435 20.894 -16.352 1.00 0.00 H new ATOM 0 HG21 ILE A 783 -20.909 20.385 -15.816 1.00 0.00 H new ATOM 0 HG22 ILE A 783 -19.899 19.736 -17.130 1.00 0.00 H new ATOM 0 HG23 ILE A 783 -20.272 21.475 -17.070 1.00 0.00 H new ATOM 0 HD11 ILE A 783 -23.425 23.274 -16.921 1.00 0.00 H new ATOM 0 HD12 ILE A 783 -21.792 22.736 -16.462 1.00 0.00 H new ATOM 0 HD13 ILE A 783 -22.198 22.983 -18.177 1.00 0.00 H new ATOM 152 N GLU A 784 -20.988 18.022 -19.020 1.00 0.00 N ATOM 153 CA GLU A 784 -20.293 16.782 -19.343 1.00 0.00 C ATOM 154 C GLU A 784 -21.028 15.599 -18.731 1.00 0.00 C ATOM 155 O GLU A 784 -21.567 14.752 -19.437 1.00 0.00 O ATOM 156 CB GLU A 784 -18.855 16.814 -18.823 1.00 0.00 C ATOM 157 CG GLU A 784 -17.812 16.679 -19.916 1.00 0.00 C ATOM 158 CD GLU A 784 -16.733 17.733 -19.817 1.00 0.00 C ATOM 159 OE1 GLU A 784 -16.263 18.007 -18.690 1.00 0.00 O ATOM 160 OE2 GLU A 784 -16.348 18.295 -20.861 1.00 0.00 O ATOM 0 H GLU A 784 -21.679 17.931 -18.275 1.00 0.00 H new ATOM 0 HA GLU A 784 -20.271 16.676 -20.428 1.00 0.00 H new ATOM 0 HB2 GLU A 784 -18.691 17.750 -18.289 1.00 0.00 H new ATOM 0 HB3 GLU A 784 -18.720 16.008 -18.102 1.00 0.00 H new ATOM 0 HG2 GLU A 784 -17.356 15.690 -19.859 1.00 0.00 H new ATOM 0 HG3 GLU A 784 -18.298 16.751 -20.889 1.00 0.00 H new ATOM 167 N VAL A 785 -21.072 15.577 -17.408 1.00 0.00 N ATOM 168 CA VAL A 785 -21.670 14.476 -16.673 1.00 0.00 C ATOM 169 C VAL A 785 -22.714 15.013 -15.720 1.00 0.00 C ATOM 170 O VAL A 785 -22.690 14.730 -14.522 1.00 0.00 O ATOM 171 CB VAL A 785 -20.614 13.664 -15.891 1.00 0.00 C ATOM 172 CG1 VAL A 785 -20.088 12.525 -16.748 1.00 0.00 C ATOM 173 CG2 VAL A 785 -19.469 14.552 -15.429 1.00 0.00 C ATOM 0 H VAL A 785 -20.696 16.318 -16.817 1.00 0.00 H new ATOM 0 HA VAL A 785 -22.134 13.804 -17.395 1.00 0.00 H new ATOM 0 HB VAL A 785 -21.094 13.248 -15.005 1.00 0.00 H new ATOM 0 HG11 VAL A 785 -19.344 11.960 -16.186 1.00 0.00 H new ATOM 0 HG12 VAL A 785 -20.912 11.867 -17.024 1.00 0.00 H new ATOM 0 HG13 VAL A 785 -19.630 12.930 -17.650 1.00 0.00 H new ATOM 0 HG21 VAL A 785 -18.742 13.952 -14.882 1.00 0.00 H new ATOM 0 HG22 VAL A 785 -18.987 15.005 -16.296 1.00 0.00 H new ATOM 0 HG23 VAL A 785 -19.856 15.336 -14.778 1.00 0.00 H new ATOM 183 N GLN A 786 -23.634 15.791 -16.282 1.00 0.00 N ATOM 184 CA GLN A 786 -24.608 16.546 -15.507 1.00 0.00 C ATOM 185 C GLN A 786 -23.890 17.456 -14.520 1.00 0.00 C ATOM 186 O GLN A 786 -23.513 18.576 -14.860 1.00 0.00 O ATOM 187 CB GLN A 786 -25.580 15.612 -14.778 1.00 0.00 C ATOM 188 CG GLN A 786 -26.926 15.471 -15.468 1.00 0.00 C ATOM 189 CD GLN A 786 -27.613 16.806 -15.682 1.00 0.00 C ATOM 190 OE1 GLN A 786 -27.836 17.228 -16.819 1.00 0.00 O ATOM 191 NE2 GLN A 786 -27.957 17.479 -14.595 1.00 0.00 N ATOM 0 H GLN A 786 -23.724 15.915 -17.290 1.00 0.00 H new ATOM 0 HA GLN A 786 -25.194 17.160 -16.191 1.00 0.00 H new ATOM 0 HB2 GLN A 786 -25.123 14.626 -14.687 1.00 0.00 H new ATOM 0 HB3 GLN A 786 -25.738 15.985 -13.766 1.00 0.00 H new ATOM 0 HG2 GLN A 786 -26.787 14.979 -16.431 1.00 0.00 H new ATOM 0 HG3 GLN A 786 -27.571 14.826 -14.871 1.00 0.00 H new ATOM 0 HE21 GLN A 786 -27.755 17.095 -13.672 1.00 0.00 H new ATOM 0 HE22 GLN A 786 -28.425 18.381 -14.681 1.00 0.00 H new ATOM 200 N LEU A 787 -23.686 16.957 -13.312 1.00 0.00 N ATOM 201 CA LEU A 787 -22.900 17.650 -12.314 1.00 0.00 C ATOM 202 C LEU A 787 -22.168 16.631 -11.451 1.00 0.00 C ATOM 203 O LEU A 787 -22.680 16.218 -10.405 1.00 0.00 O ATOM 204 CB LEU A 787 -23.783 18.555 -11.451 1.00 0.00 C ATOM 205 CG LEU A 787 -23.366 20.027 -11.427 1.00 0.00 C ATOM 206 CD1 LEU A 787 -24.240 20.845 -12.367 1.00 0.00 C ATOM 207 CD2 LEU A 787 -23.442 20.578 -10.010 1.00 0.00 C ATOM 0 H LEU A 787 -24.061 16.062 -12.999 1.00 0.00 H new ATOM 0 HA LEU A 787 -22.171 18.285 -12.817 1.00 0.00 H new ATOM 0 HB2 LEU A 787 -24.809 18.489 -11.812 1.00 0.00 H new ATOM 0 HB3 LEU A 787 -23.780 18.175 -10.430 1.00 0.00 H new ATOM 0 HG LEU A 787 -22.334 20.099 -11.770 1.00 0.00 H new ATOM 0 HD11 LEU A 787 -23.929 21.889 -12.337 1.00 0.00 H new ATOM 0 HD12 LEU A 787 -24.136 20.465 -13.383 1.00 0.00 H new ATOM 0 HD13 LEU A 787 -25.282 20.768 -12.055 1.00 0.00 H new ATOM 0 HD21 LEU A 787 -23.142 21.626 -10.011 1.00 0.00 H new ATOM 0 HD22 LEU A 787 -24.464 20.493 -9.641 1.00 0.00 H new ATOM 0 HD23 LEU A 787 -22.774 20.010 -9.362 1.00 0.00 H new ATOM 219 N ALA A 788 -21.013 16.175 -11.966 1.00 0.00 N ATOM 220 CA ALA A 788 -20.085 15.291 -11.244 1.00 0.00 C ATOM 221 C ALA A 788 -20.408 13.828 -11.516 1.00 0.00 C ATOM 222 O ALA A 788 -21.569 13.461 -11.699 1.00 0.00 O ATOM 223 CB ALA A 788 -20.069 15.577 -9.748 1.00 0.00 C ATOM 0 H ALA A 788 -20.695 16.413 -12.906 1.00 0.00 H new ATOM 0 HA ALA A 788 -19.083 15.498 -11.620 1.00 0.00 H new ATOM 0 HB1 ALA A 788 -19.370 14.901 -9.256 1.00 0.00 H new ATOM 0 HB2 ALA A 788 -19.758 16.608 -9.578 1.00 0.00 H new ATOM 0 HB3 ALA A 788 -21.068 15.428 -9.338 1.00 0.00 H new ATOM 229 N GLN A 789 -19.372 12.999 -11.545 1.00 0.00 N ATOM 230 CA GLN A 789 -19.526 11.597 -11.917 1.00 0.00 C ATOM 231 C GLN A 789 -18.849 10.666 -10.914 1.00 0.00 C ATOM 232 O GLN A 789 -18.796 9.453 -11.121 1.00 0.00 O ATOM 233 CB GLN A 789 -18.945 11.365 -13.311 1.00 0.00 C ATOM 234 CG GLN A 789 -19.612 10.232 -14.071 1.00 0.00 C ATOM 235 CD GLN A 789 -18.614 9.368 -14.815 1.00 0.00 C ATOM 236 OE1 GLN A 789 -17.666 9.871 -15.423 1.00 0.00 O ATOM 237 NE2 GLN A 789 -18.818 8.061 -14.778 1.00 0.00 N ATOM 0 H GLN A 789 -18.416 13.272 -11.316 1.00 0.00 H new ATOM 0 HA GLN A 789 -20.592 11.368 -11.917 1.00 0.00 H new ATOM 0 HB2 GLN A 789 -19.038 12.283 -13.891 1.00 0.00 H new ATOM 0 HB3 GLN A 789 -17.880 11.152 -13.220 1.00 0.00 H new ATOM 0 HG2 GLN A 789 -20.175 9.612 -13.373 1.00 0.00 H new ATOM 0 HG3 GLN A 789 -20.329 10.646 -14.780 1.00 0.00 H new ATOM 0 HE21 GLN A 789 -19.614 7.683 -14.264 1.00 0.00 H new ATOM 0 HE22 GLN A 789 -18.179 7.431 -15.263 1.00 0.00 H new ATOM 246 N GLU A 790 -18.310 11.221 -9.840 1.00 0.00 N ATOM 247 CA GLU A 790 -17.710 10.398 -8.801 1.00 0.00 C ATOM 248 C GLU A 790 -18.754 10.017 -7.768 1.00 0.00 C ATOM 249 O GLU A 790 -19.614 10.825 -7.412 1.00 0.00 O ATOM 250 CB GLU A 790 -16.540 11.098 -8.104 1.00 0.00 C ATOM 251 CG GLU A 790 -16.020 12.331 -8.821 1.00 0.00 C ATOM 252 CD GLU A 790 -16.882 13.549 -8.581 1.00 0.00 C ATOM 253 OE1 GLU A 790 -17.064 13.937 -7.408 1.00 0.00 O ATOM 254 OE2 GLU A 790 -17.385 14.112 -9.573 1.00 0.00 O ATOM 0 H GLU A 790 -18.275 12.225 -9.665 1.00 0.00 H new ATOM 0 HA GLU A 790 -17.321 9.505 -9.289 1.00 0.00 H new ATOM 0 HB2 GLU A 790 -16.852 11.383 -7.099 1.00 0.00 H new ATOM 0 HB3 GLU A 790 -15.722 10.386 -7.994 1.00 0.00 H new ATOM 0 HG2 GLU A 790 -15.003 12.539 -8.488 1.00 0.00 H new ATOM 0 HG3 GLU A 790 -15.970 12.131 -9.891 1.00 0.00 H new ATOM 261 N GLU A 791 -18.665 8.792 -7.291 1.00 0.00 N ATOM 262 CA GLU A 791 -19.601 8.279 -6.310 1.00 0.00 C ATOM 263 C GLU A 791 -18.882 7.351 -5.348 1.00 0.00 C ATOM 264 O GLU A 791 -18.675 6.174 -5.646 1.00 0.00 O ATOM 265 CB GLU A 791 -20.746 7.542 -6.998 1.00 0.00 C ATOM 266 CG GLU A 791 -22.103 7.843 -6.395 1.00 0.00 C ATOM 267 CD GLU A 791 -23.227 7.126 -7.105 1.00 0.00 C ATOM 268 OE1 GLU A 791 -22.955 6.137 -7.816 1.00 0.00 O ATOM 269 OE2 GLU A 791 -24.392 7.543 -6.947 1.00 0.00 O ATOM 0 H GLU A 791 -17.945 8.126 -7.571 1.00 0.00 H new ATOM 0 HA GLU A 791 -20.018 9.117 -5.751 1.00 0.00 H new ATOM 0 HB2 GLU A 791 -20.758 7.810 -8.054 1.00 0.00 H new ATOM 0 HB3 GLU A 791 -20.562 6.469 -6.944 1.00 0.00 H new ATOM 0 HG2 GLU A 791 -22.101 7.556 -5.344 1.00 0.00 H new ATOM 0 HG3 GLU A 791 -22.282 8.918 -6.432 1.00 0.00 H new ATOM 276 N VAL A 792 -18.489 7.902 -4.209 1.00 0.00 N ATOM 277 CA VAL A 792 -17.741 7.178 -3.188 1.00 0.00 C ATOM 278 C VAL A 792 -16.277 7.038 -3.588 1.00 0.00 C ATOM 279 O VAL A 792 -15.940 6.489 -4.639 1.00 0.00 O ATOM 280 CB VAL A 792 -18.369 5.790 -2.856 1.00 0.00 C ATOM 281 CG1 VAL A 792 -17.326 4.679 -2.774 1.00 0.00 C ATOM 282 CG2 VAL A 792 -19.133 5.873 -1.552 1.00 0.00 C ATOM 0 H VAL A 792 -18.681 8.873 -3.964 1.00 0.00 H new ATOM 0 HA VAL A 792 -17.796 7.770 -2.274 1.00 0.00 H new ATOM 0 HB VAL A 792 -19.045 5.538 -3.673 1.00 0.00 H new ATOM 0 HG11 VAL A 792 -17.818 3.735 -2.540 1.00 0.00 H new ATOM 0 HG12 VAL A 792 -16.810 4.593 -3.730 1.00 0.00 H new ATOM 0 HG13 VAL A 792 -16.604 4.915 -1.992 1.00 0.00 H new ATOM 0 HG21 VAL A 792 -19.570 4.901 -1.324 1.00 0.00 H new ATOM 0 HG22 VAL A 792 -18.454 6.163 -0.750 1.00 0.00 H new ATOM 0 HG23 VAL A 792 -19.926 6.615 -1.642 1.00 0.00 H new ATOM 292 N THR A 793 -15.417 7.600 -2.762 1.00 0.00 N ATOM 293 CA THR A 793 -13.989 7.419 -2.905 1.00 0.00 C ATOM 294 C THR A 793 -13.388 7.061 -1.553 1.00 0.00 C ATOM 295 O THR A 793 -12.212 7.306 -1.280 1.00 0.00 O ATOM 296 CB THR A 793 -13.305 8.672 -3.478 1.00 0.00 C ATOM 297 OG1 THR A 793 -14.285 9.680 -3.774 1.00 0.00 O ATOM 298 CG2 THR A 793 -12.528 8.331 -4.741 1.00 0.00 C ATOM 0 H THR A 793 -15.688 8.192 -1.977 1.00 0.00 H new ATOM 0 HA THR A 793 -13.819 6.608 -3.613 1.00 0.00 H new ATOM 0 HB THR A 793 -12.610 9.052 -2.729 1.00 0.00 H new ATOM 0 HG1 THR A 793 -13.839 10.474 -4.136 1.00 0.00 H new ATOM 0 HG21 THR A 793 -12.052 9.231 -5.130 1.00 0.00 H new ATOM 0 HG22 THR A 793 -11.765 7.588 -4.509 1.00 0.00 H new ATOM 0 HG23 THR A 793 -13.210 7.929 -5.490 1.00 0.00 H new ATOM 306 N GLU A 794 -14.236 6.486 -0.711 1.00 0.00 N ATOM 307 CA GLU A 794 -13.856 6.031 0.613 1.00 0.00 C ATOM 308 C GLU A 794 -14.777 4.896 1.014 1.00 0.00 C ATOM 309 O GLU A 794 -15.983 4.948 0.761 1.00 0.00 O ATOM 310 CB GLU A 794 -13.949 7.173 1.623 1.00 0.00 C ATOM 311 CG GLU A 794 -13.584 6.783 3.045 1.00 0.00 C ATOM 312 CD GLU A 794 -12.900 7.910 3.793 1.00 0.00 C ATOM 313 OE1 GLU A 794 -13.370 9.062 3.706 1.00 0.00 O ATOM 314 OE2 GLU A 794 -11.880 7.649 4.466 1.00 0.00 O ATOM 0 H GLU A 794 -15.218 6.322 -0.934 1.00 0.00 H new ATOM 0 HA GLU A 794 -12.823 5.684 0.598 1.00 0.00 H new ATOM 0 HB2 GLU A 794 -13.293 7.981 1.301 1.00 0.00 H new ATOM 0 HB3 GLU A 794 -14.966 7.566 1.616 1.00 0.00 H new ATOM 0 HG2 GLU A 794 -14.486 6.489 3.582 1.00 0.00 H new ATOM 0 HG3 GLU A 794 -12.928 5.913 3.024 1.00 0.00 H new ATOM 321 N SER A 795 -14.215 3.890 1.637 1.00 0.00 N ATOM 322 CA SER A 795 -14.952 2.667 1.921 1.00 0.00 C ATOM 323 C SER A 795 -14.798 2.243 3.380 1.00 0.00 C ATOM 324 O SER A 795 -13.688 2.216 3.920 1.00 0.00 O ATOM 325 CB SER A 795 -14.472 1.551 0.988 1.00 0.00 C ATOM 326 OG SER A 795 -13.639 2.071 -0.040 1.00 0.00 O ATOM 0 H SER A 795 -13.248 3.887 1.961 1.00 0.00 H new ATOM 0 HA SER A 795 -16.011 2.858 1.747 1.00 0.00 H new ATOM 0 HB2 SER A 795 -13.925 0.803 1.561 1.00 0.00 H new ATOM 0 HB3 SER A 795 -15.331 1.047 0.545 1.00 0.00 H new ATOM 0 HG SER A 795 -12.942 1.417 -0.258 1.00 0.00 H new ATOM 332 N PRO A 796 -15.922 1.923 4.041 1.00 0.00 N ATOM 333 CA PRO A 796 -15.929 1.436 5.420 1.00 0.00 C ATOM 334 C PRO A 796 -15.459 -0.010 5.520 1.00 0.00 C ATOM 335 O PRO A 796 -16.248 -0.951 5.402 1.00 0.00 O ATOM 336 CB PRO A 796 -17.401 1.556 5.848 1.00 0.00 C ATOM 337 CG PRO A 796 -18.091 2.287 4.741 1.00 0.00 C ATOM 338 CD PRO A 796 -17.281 2.029 3.505 1.00 0.00 C ATOM 0 HA PRO A 796 -15.248 2.005 6.053 1.00 0.00 H new ATOM 0 HB2 PRO A 796 -17.844 0.572 6.002 1.00 0.00 H new ATOM 0 HB3 PRO A 796 -17.491 2.098 6.790 1.00 0.00 H new ATOM 0 HG2 PRO A 796 -19.114 1.932 4.618 1.00 0.00 H new ATOM 0 HG3 PRO A 796 -18.147 3.354 4.954 1.00 0.00 H new ATOM 0 HD2 PRO A 796 -17.591 1.115 2.999 1.00 0.00 H new ATOM 0 HD3 PRO A 796 -17.371 2.840 2.782 1.00 0.00 H new ATOM 346 N LEU A 797 -14.166 -0.177 5.728 1.00 0.00 N ATOM 347 CA LEU A 797 -13.585 -1.496 5.870 1.00 0.00 C ATOM 348 C LEU A 797 -13.678 -1.964 7.314 1.00 0.00 C ATOM 349 O LEU A 797 -13.679 -1.155 8.243 1.00 0.00 O ATOM 350 CB LEU A 797 -12.122 -1.492 5.415 1.00 0.00 C ATOM 351 CG LEU A 797 -11.332 -0.231 5.774 1.00 0.00 C ATOM 352 CD1 LEU A 797 -10.640 -0.391 7.120 1.00 0.00 C ATOM 353 CD2 LEU A 797 -10.315 0.082 4.691 1.00 0.00 C ATOM 0 H LEU A 797 -13.497 0.589 5.802 1.00 0.00 H new ATOM 0 HA LEU A 797 -14.146 -2.185 5.239 1.00 0.00 H new ATOM 0 HB2 LEU A 797 -11.619 -2.354 5.854 1.00 0.00 H new ATOM 0 HB3 LEU A 797 -12.094 -1.623 4.333 1.00 0.00 H new ATOM 0 HG LEU A 797 -12.032 0.601 5.847 1.00 0.00 H new ATOM 0 HD11 LEU A 797 -10.085 0.517 7.354 1.00 0.00 H new ATOM 0 HD12 LEU A 797 -11.386 -0.570 7.894 1.00 0.00 H new ATOM 0 HD13 LEU A 797 -9.952 -1.236 7.077 1.00 0.00 H new ATOM 0 HD21 LEU A 797 -9.761 0.981 4.961 1.00 0.00 H new ATOM 0 HD22 LEU A 797 -9.623 -0.754 4.590 1.00 0.00 H new ATOM 0 HD23 LEU A 797 -10.830 0.243 3.744 1.00 0.00 H new ATOM 365 N GLY A 798 -13.776 -3.265 7.489 1.00 0.00 N ATOM 366 CA GLY A 798 -13.755 -3.843 8.817 1.00 0.00 C ATOM 367 C GLY A 798 -12.591 -4.794 8.975 1.00 0.00 C ATOM 368 O GLY A 798 -11.548 -4.433 9.517 1.00 0.00 O ATOM 0 H GLY A 798 -13.871 -3.941 6.731 1.00 0.00 H new ATOM 0 HA2 GLY A 798 -13.685 -3.050 9.562 1.00 0.00 H new ATOM 0 HA3 GLY A 798 -14.690 -4.372 9.002 1.00 0.00 H new ATOM 372 N GLY A 799 -12.770 -6.008 8.480 1.00 0.00 N ATOM 373 CA GLY A 799 -11.693 -6.975 8.452 1.00 0.00 C ATOM 374 C GLY A 799 -11.461 -7.476 7.045 1.00 0.00 C ATOM 375 O GLY A 799 -11.123 -8.642 6.827 1.00 0.00 O ATOM 0 H GLY A 799 -13.652 -6.344 8.093 1.00 0.00 H new ATOM 0 HA2 GLY A 799 -10.780 -6.521 8.837 1.00 0.00 H new ATOM 0 HA3 GLY A 799 -11.933 -7.813 9.107 1.00 0.00 H new ATOM 379 N ASP A 800 -11.667 -6.584 6.088 1.00 0.00 N ATOM 380 CA ASP A 800 -11.580 -6.923 4.675 1.00 0.00 C ATOM 381 C ASP A 800 -10.678 -5.943 3.927 1.00 0.00 C ATOM 382 O ASP A 800 -11.103 -5.296 2.966 1.00 0.00 O ATOM 383 CB ASP A 800 -12.975 -6.945 4.037 1.00 0.00 C ATOM 384 CG ASP A 800 -13.915 -5.878 4.579 1.00 0.00 C ATOM 385 OD1 ASP A 800 -13.446 -4.794 4.993 1.00 0.00 O ATOM 386 OD2 ASP A 800 -15.140 -6.117 4.586 1.00 0.00 O ATOM 0 H ASP A 800 -11.899 -5.607 6.268 1.00 0.00 H new ATOM 0 HA ASP A 800 -11.142 -7.918 4.600 1.00 0.00 H new ATOM 0 HB2 ASP A 800 -12.874 -6.814 2.960 1.00 0.00 H new ATOM 0 HB3 ASP A 800 -13.422 -7.926 4.198 1.00 0.00 H new ATOM 391 N GLU A 801 -9.428 -5.858 4.361 1.00 0.00 N ATOM 392 CA GLU A 801 -8.442 -4.989 3.723 1.00 0.00 C ATOM 393 C GLU A 801 -8.195 -5.441 2.291 1.00 0.00 C ATOM 394 O GLU A 801 -8.090 -4.626 1.374 1.00 0.00 O ATOM 395 CB GLU A 801 -7.123 -5.002 4.501 1.00 0.00 C ATOM 396 CG GLU A 801 -7.300 -5.047 6.010 1.00 0.00 C ATOM 397 CD GLU A 801 -7.260 -6.460 6.559 1.00 0.00 C ATOM 398 OE1 GLU A 801 -8.057 -7.303 6.097 1.00 0.00 O ATOM 399 OE2 GLU A 801 -6.441 -6.731 7.461 1.00 0.00 O ATOM 0 H GLU A 801 -9.069 -6.383 5.158 1.00 0.00 H new ATOM 0 HA GLU A 801 -8.836 -3.973 3.719 1.00 0.00 H new ATOM 0 HB2 GLU A 801 -6.536 -5.865 4.188 1.00 0.00 H new ATOM 0 HB3 GLU A 801 -6.549 -4.114 4.238 1.00 0.00 H new ATOM 0 HG2 GLU A 801 -6.516 -4.455 6.482 1.00 0.00 H new ATOM 0 HG3 GLU A 801 -8.251 -4.585 6.275 1.00 0.00 H new ATOM 406 N ASN A 802 -8.115 -6.755 2.116 1.00 0.00 N ATOM 407 CA ASN A 802 -7.928 -7.354 0.796 1.00 0.00 C ATOM 408 C ASN A 802 -9.077 -6.970 -0.133 1.00 0.00 C ATOM 409 O ASN A 802 -8.869 -6.672 -1.310 1.00 0.00 O ATOM 410 CB ASN A 802 -7.831 -8.881 0.917 1.00 0.00 C ATOM 411 CG ASN A 802 -7.771 -9.578 -0.431 1.00 0.00 C ATOM 412 OD1 ASN A 802 -7.078 -9.135 -1.345 1.00 0.00 O ATOM 413 ND2 ASN A 802 -8.496 -10.678 -0.558 1.00 0.00 N ATOM 0 H ASN A 802 -8.177 -7.432 2.877 1.00 0.00 H new ATOM 0 HA ASN A 802 -6.999 -6.975 0.371 1.00 0.00 H new ATOM 0 HB2 ASN A 802 -6.943 -9.139 1.494 1.00 0.00 H new ATOM 0 HB3 ASN A 802 -8.691 -9.252 1.474 1.00 0.00 H new ATOM 0 HD21 ASN A 802 -8.493 -11.192 -1.439 1.00 0.00 H new ATOM 0 HD22 ASN A 802 -9.058 -11.012 0.225 1.00 0.00 H new ATOM 420 N ALA A 803 -10.289 -6.955 0.409 1.00 0.00 N ATOM 421 CA ALA A 803 -11.460 -6.568 -0.363 1.00 0.00 C ATOM 422 C ALA A 803 -11.323 -5.130 -0.840 1.00 0.00 C ATOM 423 O ALA A 803 -11.577 -4.827 -2.001 1.00 0.00 O ATOM 424 CB ALA A 803 -12.729 -6.744 0.458 1.00 0.00 C ATOM 0 H ALA A 803 -10.485 -7.206 1.378 1.00 0.00 H new ATOM 0 HA ALA A 803 -11.530 -7.218 -1.235 1.00 0.00 H new ATOM 0 HB1 ALA A 803 -13.592 -6.449 -0.139 1.00 0.00 H new ATOM 0 HB2 ALA A 803 -12.831 -7.789 0.751 1.00 0.00 H new ATOM 0 HB3 ALA A 803 -12.674 -6.120 1.350 1.00 0.00 H new ATOM 430 N GLN A 804 -10.882 -4.256 0.054 1.00 0.00 N ATOM 431 CA GLN A 804 -10.707 -2.847 -0.273 1.00 0.00 C ATOM 432 C GLN A 804 -9.663 -2.669 -1.374 1.00 0.00 C ATOM 433 O GLN A 804 -9.921 -2.007 -2.384 1.00 0.00 O ATOM 434 CB GLN A 804 -10.291 -2.063 0.972 1.00 0.00 C ATOM 435 CG GLN A 804 -11.253 -0.945 1.338 1.00 0.00 C ATOM 436 CD GLN A 804 -10.933 0.354 0.628 1.00 0.00 C ATOM 437 OE1 GLN A 804 -11.318 0.561 -0.524 1.00 0.00 O ATOM 438 NE2 GLN A 804 -10.229 1.245 1.309 1.00 0.00 N ATOM 0 H GLN A 804 -10.638 -4.498 1.014 1.00 0.00 H new ATOM 0 HA GLN A 804 -11.660 -2.462 -0.636 1.00 0.00 H new ATOM 0 HB2 GLN A 804 -10.210 -2.751 1.814 1.00 0.00 H new ATOM 0 HB3 GLN A 804 -9.300 -1.639 0.810 1.00 0.00 H new ATOM 0 HG2 GLN A 804 -12.270 -1.250 1.090 1.00 0.00 H new ATOM 0 HG3 GLN A 804 -11.223 -0.783 2.415 1.00 0.00 H new ATOM 0 HE21 GLN A 804 -9.928 1.037 2.261 1.00 0.00 H new ATOM 0 HE22 GLN A 804 -9.988 2.139 0.881 1.00 0.00 H new ATOM 447 N LEU A 805 -8.499 -3.284 -1.188 1.00 0.00 N ATOM 448 CA LEU A 805 -7.390 -3.128 -2.124 1.00 0.00 C ATOM 449 C LEU A 805 -7.723 -3.715 -3.499 1.00 0.00 C ATOM 450 O LEU A 805 -7.335 -3.161 -4.531 1.00 0.00 O ATOM 451 CB LEU A 805 -6.106 -3.754 -1.554 1.00 0.00 C ATOM 452 CG LEU A 805 -5.687 -5.091 -2.153 1.00 0.00 C ATOM 453 CD1 LEU A 805 -4.500 -4.910 -3.086 1.00 0.00 C ATOM 454 CD2 LEU A 805 -5.357 -6.087 -1.055 1.00 0.00 C ATOM 0 H LEU A 805 -8.299 -3.896 -0.397 1.00 0.00 H new ATOM 0 HA LEU A 805 -7.220 -2.060 -2.260 1.00 0.00 H new ATOM 0 HB2 LEU A 805 -5.289 -3.046 -1.692 1.00 0.00 H new ATOM 0 HB3 LEU A 805 -6.236 -3.885 -0.480 1.00 0.00 H new ATOM 0 HG LEU A 805 -6.522 -5.484 -2.733 1.00 0.00 H new ATOM 0 HD11 LEU A 805 -4.215 -5.876 -3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 805 -4.772 -4.231 -3.894 1.00 0.00 H new ATOM 0 HD13 LEU A 805 -3.660 -4.494 -2.530 1.00 0.00 H new ATOM 0 HD21 LEU A 805 -5.060 -7.036 -1.502 1.00 0.00 H new ATOM 0 HD22 LEU A 805 -4.539 -5.700 -0.447 1.00 0.00 H new ATOM 0 HD23 LEU A 805 -6.235 -6.241 -0.427 1.00 0.00 H new ATOM 466 N HIS A 806 -8.442 -4.830 -3.527 1.00 0.00 N ATOM 467 CA HIS A 806 -8.788 -5.449 -4.798 1.00 0.00 C ATOM 468 C HIS A 806 -10.017 -4.782 -5.420 1.00 0.00 C ATOM 469 O HIS A 806 -10.276 -4.932 -6.611 1.00 0.00 O ATOM 470 CB HIS A 806 -8.953 -6.977 -4.649 1.00 0.00 C ATOM 471 CG HIS A 806 -10.365 -7.465 -4.631 1.00 0.00 C ATOM 472 ND1 HIS A 806 -11.346 -7.237 -3.747 1.00 0.00 N flip ATOM 473 CD2 HIS A 806 -10.899 -8.294 -5.594 1.00 0.00 C flip ATOM 474 CE1 HIS A 806 -12.452 -7.921 -4.178 1.00 0.00 C flip ATOM 475 NE2 HIS A 806 -12.157 -8.552 -5.295 1.00 0.00 N flip ATOM 0 H HIS A 806 -8.791 -5.316 -2.701 1.00 0.00 H new ATOM 0 HA HIS A 806 -7.961 -5.291 -5.491 1.00 0.00 H new ATOM 0 HB2 HIS A 806 -8.427 -7.465 -5.470 1.00 0.00 H new ATOM 0 HB3 HIS A 806 -8.465 -7.291 -3.726 1.00 0.00 H new ATOM 0 HD2 HIS A 806 -10.371 -8.672 -6.457 1.00 0.00 H new ATOM 0 HE1 HIS A 806 -13.411 -7.940 -3.682 1.00 0.00 H new ATOM 0 HE2 HIS A 806 -12.792 -9.139 -5.836 1.00 0.00 H new ATOM 484 N ALA A 807 -10.760 -4.031 -4.615 1.00 0.00 N ATOM 485 CA ALA A 807 -11.910 -3.287 -5.116 1.00 0.00 C ATOM 486 C ALA A 807 -11.464 -2.012 -5.819 1.00 0.00 C ATOM 487 O ALA A 807 -12.075 -1.587 -6.796 1.00 0.00 O ATOM 488 CB ALA A 807 -12.873 -2.952 -3.987 1.00 0.00 C ATOM 0 H ALA A 807 -10.588 -3.921 -3.616 1.00 0.00 H new ATOM 0 HA ALA A 807 -12.428 -3.919 -5.837 1.00 0.00 H new ATOM 0 HB1 ALA A 807 -13.722 -2.397 -4.386 1.00 0.00 H new ATOM 0 HB2 ALA A 807 -13.226 -3.874 -3.525 1.00 0.00 H new ATOM 0 HB3 ALA A 807 -12.361 -2.345 -3.240 1.00 0.00 H new ATOM 494 N SER A 808 -10.392 -1.407 -5.320 1.00 0.00 N ATOM 495 CA SER A 808 -9.863 -0.187 -5.917 1.00 0.00 C ATOM 496 C SER A 808 -9.092 -0.498 -7.199 1.00 0.00 C ATOM 497 O SER A 808 -8.808 0.392 -8.003 1.00 0.00 O ATOM 498 CB SER A 808 -8.961 0.535 -4.917 1.00 0.00 C ATOM 499 OG SER A 808 -8.445 -0.370 -3.954 1.00 0.00 O ATOM 0 H SER A 808 -9.874 -1.740 -4.507 1.00 0.00 H new ATOM 0 HA SER A 808 -10.700 0.462 -6.174 1.00 0.00 H new ATOM 0 HB2 SER A 808 -8.139 1.017 -5.445 1.00 0.00 H new ATOM 0 HB3 SER A 808 -9.524 1.323 -4.416 1.00 0.00 H new ATOM 0 HG SER A 808 -8.069 -1.153 -4.409 1.00 0.00 H new ATOM 505 N GLY A 809 -8.763 -1.770 -7.384 1.00 0.00 N ATOM 506 CA GLY A 809 -8.034 -2.185 -8.562 1.00 0.00 C ATOM 507 C GLY A 809 -6.536 -2.072 -8.376 1.00 0.00 C ATOM 508 O GLY A 809 -5.807 -1.758 -9.313 1.00 0.00 O ATOM 0 H GLY A 809 -8.990 -2.523 -6.735 1.00 0.00 H new ATOM 0 HA2 GLY A 809 -8.292 -3.216 -8.802 1.00 0.00 H new ATOM 0 HA3 GLY A 809 -8.340 -1.574 -9.411 1.00 0.00 H new ATOM 512 N TYR A 810 -6.076 -2.314 -7.157 1.00 0.00 N ATOM 513 CA TYR A 810 -4.652 -2.275 -6.857 1.00 0.00 C ATOM 514 C TYR A 810 -4.112 -3.684 -6.651 1.00 0.00 C ATOM 515 O TYR A 810 -2.999 -3.874 -6.155 1.00 0.00 O ATOM 516 CB TYR A 810 -4.395 -1.427 -5.611 1.00 0.00 C ATOM 517 CG TYR A 810 -4.408 0.063 -5.874 1.00 0.00 C ATOM 518 CD1 TYR A 810 -3.458 0.650 -6.703 1.00 0.00 C ATOM 519 CD2 TYR A 810 -5.366 0.881 -5.294 1.00 0.00 C ATOM 520 CE1 TYR A 810 -3.468 2.010 -6.946 1.00 0.00 C ATOM 521 CE2 TYR A 810 -5.382 2.242 -5.531 1.00 0.00 C ATOM 522 CZ TYR A 810 -4.431 2.801 -6.357 1.00 0.00 C ATOM 523 OH TYR A 810 -4.440 4.158 -6.595 1.00 0.00 O ATOM 0 H TYR A 810 -6.669 -2.540 -6.359 1.00 0.00 H new ATOM 0 HA TYR A 810 -4.134 -1.823 -7.703 1.00 0.00 H new ATOM 0 HB2 TYR A 810 -5.151 -1.661 -4.861 1.00 0.00 H new ATOM 0 HB3 TYR A 810 -3.430 -1.703 -5.187 1.00 0.00 H new ATOM 0 HD1 TYR A 810 -2.701 0.033 -7.164 1.00 0.00 H new ATOM 0 HD2 TYR A 810 -6.113 0.447 -4.646 1.00 0.00 H new ATOM 0 HE1 TYR A 810 -2.725 2.451 -7.594 1.00 0.00 H new ATOM 0 HE2 TYR A 810 -6.136 2.864 -5.071 1.00 0.00 H new ATOM 0 HH TYR A 810 -5.183 4.571 -6.107 1.00 0.00 H new ATOM 533 N TYR A 811 -4.901 -4.674 -7.057 1.00 0.00 N ATOM 534 CA TYR A 811 -4.526 -6.071 -6.894 1.00 0.00 C ATOM 535 C TYR A 811 -3.365 -6.416 -7.814 1.00 0.00 C ATOM 536 O TYR A 811 -2.519 -7.249 -7.483 1.00 0.00 O ATOM 537 CB TYR A 811 -5.718 -6.989 -7.182 1.00 0.00 C ATOM 538 CG TYR A 811 -5.865 -8.128 -6.196 1.00 0.00 C ATOM 539 CD1 TYR A 811 -5.235 -8.089 -4.957 1.00 0.00 C ATOM 540 CD2 TYR A 811 -6.633 -9.245 -6.504 1.00 0.00 C ATOM 541 CE1 TYR A 811 -5.369 -9.126 -4.056 1.00 0.00 C ATOM 542 CE2 TYR A 811 -6.772 -10.285 -5.606 1.00 0.00 C ATOM 543 CZ TYR A 811 -6.136 -10.220 -4.385 1.00 0.00 C ATOM 544 OH TYR A 811 -6.273 -11.253 -3.490 1.00 0.00 O ATOM 0 H TYR A 811 -5.807 -4.532 -7.503 1.00 0.00 H new ATOM 0 HA TYR A 811 -4.215 -6.224 -5.861 1.00 0.00 H new ATOM 0 HB2 TYR A 811 -6.632 -6.395 -7.175 1.00 0.00 H new ATOM 0 HB3 TYR A 811 -5.613 -7.401 -8.186 1.00 0.00 H new ATOM 0 HD1 TYR A 811 -4.631 -7.233 -4.695 1.00 0.00 H new ATOM 0 HD2 TYR A 811 -7.129 -9.300 -7.462 1.00 0.00 H new ATOM 0 HE1 TYR A 811 -4.874 -9.079 -3.097 1.00 0.00 H new ATOM 0 HE2 TYR A 811 -7.376 -11.144 -5.859 1.00 0.00 H new ATOM 0 HH TYR A 811 -5.591 -11.173 -2.791 1.00 0.00 H new ATOM 554 N ALA A 812 -3.330 -5.760 -8.967 1.00 0.00 N ATOM 555 CA ALA A 812 -2.245 -5.935 -9.917 1.00 0.00 C ATOM 556 C ALA A 812 -0.917 -5.542 -9.289 1.00 0.00 C ATOM 557 O ALA A 812 0.089 -6.217 -9.479 1.00 0.00 O ATOM 558 CB ALA A 812 -2.504 -5.117 -11.171 1.00 0.00 C ATOM 0 H ALA A 812 -4.047 -5.098 -9.266 1.00 0.00 H new ATOM 0 HA ALA A 812 -2.194 -6.988 -10.194 1.00 0.00 H new ATOM 0 HB1 ALA A 812 -1.683 -5.258 -11.874 1.00 0.00 H new ATOM 0 HB2 ALA A 812 -3.436 -5.443 -11.632 1.00 0.00 H new ATOM 0 HB3 ALA A 812 -2.579 -4.062 -10.908 1.00 0.00 H new ATOM 564 N LEU A 813 -0.926 -4.451 -8.532 1.00 0.00 N ATOM 565 CA LEU A 813 0.266 -3.988 -7.828 1.00 0.00 C ATOM 566 C LEU A 813 0.649 -4.972 -6.727 1.00 0.00 C ATOM 567 O LEU A 813 1.830 -5.260 -6.517 1.00 0.00 O ATOM 568 CB LEU A 813 0.018 -2.602 -7.223 1.00 0.00 C ATOM 569 CG LEU A 813 1.279 -1.811 -6.861 1.00 0.00 C ATOM 570 CD1 LEU A 813 1.154 -0.373 -7.335 1.00 0.00 C ATOM 571 CD2 LEU A 813 1.529 -1.859 -5.360 1.00 0.00 C ATOM 0 H LEU A 813 -1.750 -3.867 -8.389 1.00 0.00 H new ATOM 0 HA LEU A 813 1.086 -3.923 -8.543 1.00 0.00 H new ATOM 0 HB2 LEU A 813 -0.569 -2.015 -7.929 1.00 0.00 H new ATOM 0 HB3 LEU A 813 -0.588 -2.719 -6.325 1.00 0.00 H new ATOM 0 HG LEU A 813 2.131 -2.269 -7.364 1.00 0.00 H new ATOM 0 HD11 LEU A 813 2.057 0.177 -7.071 1.00 0.00 H new ATOM 0 HD12 LEU A 813 1.023 -0.357 -8.417 1.00 0.00 H new ATOM 0 HD13 LEU A 813 0.292 0.094 -6.858 1.00 0.00 H new ATOM 0 HD21 LEU A 813 2.429 -1.292 -5.123 1.00 0.00 H new ATOM 0 HD22 LEU A 813 0.678 -1.425 -4.835 1.00 0.00 H new ATOM 0 HD23 LEU A 813 1.660 -2.895 -5.046 1.00 0.00 H new ATOM 583 N PHE A 814 -0.366 -5.494 -6.045 1.00 0.00 N ATOM 584 CA PHE A 814 -0.177 -6.417 -4.930 1.00 0.00 C ATOM 585 C PHE A 814 0.636 -7.644 -5.340 1.00 0.00 C ATOM 586 O PHE A 814 1.463 -8.135 -4.574 1.00 0.00 O ATOM 587 CB PHE A 814 -1.541 -6.848 -4.386 1.00 0.00 C ATOM 588 CG PHE A 814 -1.518 -7.328 -2.961 1.00 0.00 C ATOM 589 CD1 PHE A 814 -0.649 -6.773 -2.033 1.00 0.00 C ATOM 590 CD2 PHE A 814 -2.372 -8.339 -2.551 1.00 0.00 C ATOM 591 CE1 PHE A 814 -0.636 -7.220 -0.724 1.00 0.00 C ATOM 592 CE2 PHE A 814 -2.362 -8.788 -1.245 1.00 0.00 C ATOM 593 CZ PHE A 814 -1.493 -8.229 -0.331 1.00 0.00 C ATOM 0 H PHE A 814 -1.344 -5.289 -6.250 1.00 0.00 H new ATOM 0 HA PHE A 814 0.384 -5.898 -4.153 1.00 0.00 H new ATOM 0 HB2 PHE A 814 -2.231 -6.008 -4.462 1.00 0.00 H new ATOM 0 HB3 PHE A 814 -1.936 -7.643 -5.018 1.00 0.00 H new ATOM 0 HD1 PHE A 814 0.024 -5.984 -2.335 1.00 0.00 H new ATOM 0 HD2 PHE A 814 -3.054 -8.782 -3.262 1.00 0.00 H new ATOM 0 HE1 PHE A 814 0.044 -6.780 -0.010 1.00 0.00 H new ATOM 0 HE2 PHE A 814 -3.034 -9.576 -0.939 1.00 0.00 H new ATOM 0 HZ PHE A 814 -1.483 -8.580 0.690 1.00 0.00 H new ATOM 603 N VAL A 815 0.407 -8.134 -6.549 1.00 0.00 N ATOM 604 CA VAL A 815 1.120 -9.311 -7.029 1.00 0.00 C ATOM 605 C VAL A 815 2.283 -8.927 -7.936 1.00 0.00 C ATOM 606 O VAL A 815 2.991 -9.794 -8.453 1.00 0.00 O ATOM 607 CB VAL A 815 0.187 -10.275 -7.793 1.00 0.00 C ATOM 608 CG1 VAL A 815 -0.847 -10.881 -6.859 1.00 0.00 C ATOM 609 CG2 VAL A 815 -0.490 -9.566 -8.959 1.00 0.00 C ATOM 0 H VAL A 815 -0.261 -7.740 -7.212 1.00 0.00 H new ATOM 0 HA VAL A 815 1.505 -9.817 -6.144 1.00 0.00 H new ATOM 0 HB VAL A 815 0.796 -11.084 -8.196 1.00 0.00 H new ATOM 0 HG11 VAL A 815 -1.493 -11.557 -7.420 1.00 0.00 H new ATOM 0 HG12 VAL A 815 -0.342 -11.435 -6.068 1.00 0.00 H new ATOM 0 HG13 VAL A 815 -1.449 -10.086 -6.418 1.00 0.00 H new ATOM 0 HG21 VAL A 815 -1.142 -10.266 -9.481 1.00 0.00 H new ATOM 0 HG22 VAL A 815 -1.081 -8.731 -8.583 1.00 0.00 H new ATOM 0 HG23 VAL A 815 0.268 -9.193 -9.648 1.00 0.00 H new ATOM 619 N ASP A 816 2.488 -7.633 -8.112 1.00 0.00 N ATOM 620 CA ASP A 816 3.521 -7.145 -9.014 1.00 0.00 C ATOM 621 C ASP A 816 4.795 -6.804 -8.255 1.00 0.00 C ATOM 622 O ASP A 816 5.807 -7.490 -8.383 1.00 0.00 O ATOM 623 CB ASP A 816 3.023 -5.909 -9.768 1.00 0.00 C ATOM 624 CG ASP A 816 4.138 -5.136 -10.445 1.00 0.00 C ATOM 625 OD1 ASP A 816 4.635 -5.597 -11.495 1.00 0.00 O ATOM 626 OD2 ASP A 816 4.506 -4.055 -9.939 1.00 0.00 O ATOM 0 H ASP A 816 1.954 -6.901 -7.644 1.00 0.00 H new ATOM 0 HA ASP A 816 3.746 -7.938 -9.727 1.00 0.00 H new ATOM 0 HB2 ASP A 816 2.295 -6.217 -10.518 1.00 0.00 H new ATOM 0 HB3 ASP A 816 2.503 -5.251 -9.072 1.00 0.00 H new ATOM 631 N THR A 817 4.734 -5.762 -7.448 1.00 0.00 N ATOM 632 CA THR A 817 5.930 -5.229 -6.825 1.00 0.00 C ATOM 633 C THR A 817 6.122 -5.746 -5.406 1.00 0.00 C ATOM 634 O THR A 817 7.249 -5.805 -4.915 1.00 0.00 O ATOM 635 CB THR A 817 5.882 -3.695 -6.808 1.00 0.00 C ATOM 636 OG1 THR A 817 4.676 -3.247 -7.445 1.00 0.00 O ATOM 637 CG2 THR A 817 7.087 -3.112 -7.528 1.00 0.00 C ATOM 0 H THR A 817 3.873 -5.270 -7.209 1.00 0.00 H new ATOM 0 HA THR A 817 6.777 -5.568 -7.421 1.00 0.00 H new ATOM 0 HB THR A 817 5.900 -3.356 -5.772 1.00 0.00 H new ATOM 0 HG1 THR A 817 4.733 -3.415 -8.409 1.00 0.00 H new ATOM 0 HG21 THR A 817 7.033 -2.024 -7.504 1.00 0.00 H new ATOM 0 HG22 THR A 817 8.001 -3.441 -7.033 1.00 0.00 H new ATOM 0 HG23 THR A 817 7.092 -3.453 -8.563 1.00 0.00 H new ATOM 645 N VAL A 818 5.032 -6.149 -4.761 1.00 0.00 N ATOM 646 CA VAL A 818 5.086 -6.540 -3.353 1.00 0.00 C ATOM 647 C VAL A 818 5.945 -7.794 -3.128 1.00 0.00 C ATOM 648 O VAL A 818 6.875 -7.756 -2.321 1.00 0.00 O ATOM 649 CB VAL A 818 3.675 -6.751 -2.756 1.00 0.00 C ATOM 650 CG1 VAL A 818 3.758 -7.102 -1.279 1.00 0.00 C ATOM 651 CG2 VAL A 818 2.826 -5.508 -2.959 1.00 0.00 C ATOM 0 H VAL A 818 4.107 -6.214 -5.185 1.00 0.00 H new ATOM 0 HA VAL A 818 5.560 -5.709 -2.831 1.00 0.00 H new ATOM 0 HB VAL A 818 3.205 -7.585 -3.277 1.00 0.00 H new ATOM 0 HG11 VAL A 818 2.753 -7.245 -0.882 1.00 0.00 H new ATOM 0 HG12 VAL A 818 4.332 -8.020 -1.155 1.00 0.00 H new ATOM 0 HG13 VAL A 818 4.249 -6.292 -0.740 1.00 0.00 H new ATOM 0 HG21 VAL A 818 1.836 -5.671 -2.534 1.00 0.00 H new ATOM 0 HG22 VAL A 818 3.299 -4.660 -2.464 1.00 0.00 H new ATOM 0 HG23 VAL A 818 2.734 -5.300 -4.025 1.00 0.00 H new ATOM 661 N PRO A 819 5.672 -8.916 -3.831 1.00 0.00 N ATOM 662 CA PRO A 819 6.439 -10.157 -3.653 1.00 0.00 C ATOM 663 C PRO A 819 7.946 -9.956 -3.840 1.00 0.00 C ATOM 664 O PRO A 819 8.755 -10.449 -3.049 1.00 0.00 O ATOM 665 CB PRO A 819 5.886 -11.084 -4.738 1.00 0.00 C ATOM 666 CG PRO A 819 4.516 -10.573 -5.005 1.00 0.00 C ATOM 667 CD PRO A 819 4.598 -9.084 -4.830 1.00 0.00 C ATOM 0 HA PRO A 819 6.332 -10.550 -2.642 1.00 0.00 H new ATOM 0 HB2 PRO A 819 6.502 -11.054 -5.637 1.00 0.00 H new ATOM 0 HB3 PRO A 819 5.864 -12.120 -4.401 1.00 0.00 H new ATOM 0 HG2 PRO A 819 4.191 -10.832 -6.013 1.00 0.00 H new ATOM 0 HG3 PRO A 819 3.794 -11.009 -4.315 1.00 0.00 H new ATOM 0 HD2 PRO A 819 4.839 -8.582 -5.767 1.00 0.00 H new ATOM 0 HD3 PRO A 819 3.654 -8.668 -4.479 1.00 0.00 H new ATOM 675 N ASP A 820 8.319 -9.217 -4.879 1.00 0.00 N ATOM 676 CA ASP A 820 9.730 -8.972 -5.163 1.00 0.00 C ATOM 677 C ASP A 820 10.338 -8.000 -4.159 1.00 0.00 C ATOM 678 O ASP A 820 11.539 -8.036 -3.902 1.00 0.00 O ATOM 679 CB ASP A 820 9.927 -8.438 -6.581 1.00 0.00 C ATOM 680 CG ASP A 820 11.386 -8.481 -6.999 1.00 0.00 C ATOM 681 OD1 ASP A 820 11.994 -9.577 -6.950 1.00 0.00 O ATOM 682 OD2 ASP A 820 11.936 -7.424 -7.368 1.00 0.00 O ATOM 0 H ASP A 820 7.671 -8.780 -5.534 1.00 0.00 H new ATOM 0 HA ASP A 820 10.243 -9.930 -5.076 1.00 0.00 H new ATOM 0 HB2 ASP A 820 9.331 -9.027 -7.278 1.00 0.00 H new ATOM 0 HB3 ASP A 820 9.562 -7.412 -6.638 1.00 0.00 H new ATOM 687 N ASP A 821 9.515 -7.132 -3.587 1.00 0.00 N ATOM 688 CA ASP A 821 9.999 -6.185 -2.589 1.00 0.00 C ATOM 689 C ASP A 821 10.229 -6.890 -1.263 1.00 0.00 C ATOM 690 O ASP A 821 11.130 -6.530 -0.505 1.00 0.00 O ATOM 691 CB ASP A 821 9.030 -5.018 -2.420 1.00 0.00 C ATOM 692 CG ASP A 821 9.493 -3.789 -3.176 1.00 0.00 C ATOM 693 OD1 ASP A 821 10.604 -3.823 -3.752 1.00 0.00 O ATOM 694 OD2 ASP A 821 8.745 -2.790 -3.214 1.00 0.00 O ATOM 0 H ASP A 821 8.518 -7.063 -3.793 1.00 0.00 H new ATOM 0 HA ASP A 821 10.949 -5.779 -2.937 1.00 0.00 H new ATOM 0 HB2 ASP A 821 8.042 -5.312 -2.774 1.00 0.00 H new ATOM 0 HB3 ASP A 821 8.931 -4.778 -1.361 1.00 0.00 H new ATOM 699 N VAL A 822 9.418 -7.903 -0.987 1.00 0.00 N ATOM 700 CA VAL A 822 9.662 -8.778 0.152 1.00 0.00 C ATOM 701 C VAL A 822 10.982 -9.517 -0.060 1.00 0.00 C ATOM 702 O VAL A 822 11.794 -9.657 0.857 1.00 0.00 O ATOM 703 CB VAL A 822 8.509 -9.790 0.348 1.00 0.00 C ATOM 704 CG1 VAL A 822 8.849 -10.817 1.421 1.00 0.00 C ATOM 705 CG2 VAL A 822 7.218 -9.062 0.696 1.00 0.00 C ATOM 0 H VAL A 822 8.589 -8.138 -1.533 1.00 0.00 H new ATOM 0 HA VAL A 822 9.717 -8.168 1.053 1.00 0.00 H new ATOM 0 HB VAL A 822 8.368 -10.324 -0.592 1.00 0.00 H new ATOM 0 HG11 VAL A 822 8.018 -11.513 1.534 1.00 0.00 H new ATOM 0 HG12 VAL A 822 9.745 -11.365 1.129 1.00 0.00 H new ATOM 0 HG13 VAL A 822 9.028 -10.308 2.368 1.00 0.00 H new ATOM 0 HG21 VAL A 822 6.416 -9.788 0.831 1.00 0.00 H new ATOM 0 HG22 VAL A 822 7.356 -8.498 1.618 1.00 0.00 H new ATOM 0 HG23 VAL A 822 6.957 -8.378 -0.112 1.00 0.00 H new ATOM 715 N LYS A 823 11.198 -9.959 -1.293 1.00 0.00 N ATOM 716 CA LYS A 823 12.463 -10.570 -1.683 1.00 0.00 C ATOM 717 C LYS A 823 13.605 -9.570 -1.515 1.00 0.00 C ATOM 718 O LYS A 823 14.706 -9.937 -1.111 1.00 0.00 O ATOM 719 CB LYS A 823 12.393 -11.046 -3.133 1.00 0.00 C ATOM 720 CG LYS A 823 12.753 -12.508 -3.315 1.00 0.00 C ATOM 721 CD LYS A 823 12.893 -12.865 -4.786 1.00 0.00 C ATOM 722 CE LYS A 823 11.544 -12.897 -5.489 1.00 0.00 C ATOM 723 NZ LYS A 823 11.594 -12.242 -6.826 1.00 0.00 N ATOM 0 H LYS A 823 10.509 -9.905 -2.044 1.00 0.00 H new ATOM 0 HA LYS A 823 12.650 -11.429 -1.039 1.00 0.00 H new ATOM 0 HB2 LYS A 823 11.385 -10.880 -3.512 1.00 0.00 H new ATOM 0 HB3 LYS A 823 13.065 -10.438 -3.738 1.00 0.00 H new ATOM 0 HG2 LYS A 823 13.688 -12.722 -2.797 1.00 0.00 H new ATOM 0 HG3 LYS A 823 11.985 -13.133 -2.859 1.00 0.00 H new ATOM 0 HD2 LYS A 823 13.542 -12.139 -5.276 1.00 0.00 H new ATOM 0 HD3 LYS A 823 13.375 -13.838 -4.880 1.00 0.00 H new ATOM 0 HE2 LYS A 823 11.220 -13.931 -5.604 1.00 0.00 H new ATOM 0 HE3 LYS A 823 10.800 -12.397 -4.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 823 10.899 -12.689 -7.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 823 11.371 -11.231 -6.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 823 12.547 -12.348 -7.229 1.00 0.00 H new ATOM 737 N ARG A 824 13.329 -8.306 -1.824 1.00 0.00 N ATOM 738 CA ARG A 824 14.302 -7.236 -1.631 1.00 0.00 C ATOM 739 C ARG A 824 14.696 -7.145 -0.164 1.00 0.00 C ATOM 740 O ARG A 824 15.874 -7.042 0.158 1.00 0.00 O ATOM 741 CB ARG A 824 13.733 -5.897 -2.102 1.00 0.00 C ATOM 742 CG ARG A 824 14.793 -4.850 -2.404 1.00 0.00 C ATOM 743 CD ARG A 824 14.446 -4.049 -3.651 1.00 0.00 C ATOM 744 NE ARG A 824 14.750 -4.787 -4.877 1.00 0.00 N ATOM 745 CZ ARG A 824 13.842 -5.446 -5.597 1.00 0.00 C ATOM 746 NH1 ARG A 824 12.558 -5.404 -5.262 1.00 0.00 N ATOM 747 NH2 ARG A 824 14.207 -6.135 -6.669 1.00 0.00 N ATOM 0 H ARG A 824 12.437 -7.998 -2.210 1.00 0.00 H new ATOM 0 HA ARG A 824 15.187 -7.465 -2.225 1.00 0.00 H new ATOM 0 HB2 ARG A 824 13.134 -6.063 -2.998 1.00 0.00 H new ATOM 0 HB3 ARG A 824 13.061 -5.509 -1.336 1.00 0.00 H new ATOM 0 HG2 ARG A 824 14.893 -4.176 -1.553 1.00 0.00 H new ATOM 0 HG3 ARG A 824 15.759 -5.337 -2.540 1.00 0.00 H new ATOM 0 HD2 ARG A 824 13.387 -3.793 -3.635 1.00 0.00 H new ATOM 0 HD3 ARG A 824 15.001 -3.111 -3.645 1.00 0.00 H new ATOM 0 HE ARG A 824 15.717 -4.798 -5.201 1.00 0.00 H new ATOM 0 HH11 ARG A 824 12.260 -4.865 -4.449 1.00 0.00 H new ATOM 0 HH12 ARG A 824 11.869 -5.911 -5.818 1.00 0.00 H new ATOM 0 HH21 ARG A 824 15.188 -6.163 -6.948 1.00 0.00 H new ATOM 0 HH22 ARG A 824 13.507 -6.637 -7.215 1.00 0.00 H new ATOM 761 N LEU A 825 13.702 -7.199 0.719 1.00 0.00 N ATOM 762 CA LEU A 825 13.950 -7.197 2.157 1.00 0.00 C ATOM 763 C LEU A 825 14.890 -8.338 2.534 1.00 0.00 C ATOM 764 O LEU A 825 15.824 -8.157 3.315 1.00 0.00 O ATOM 765 CB LEU A 825 12.635 -7.327 2.928 1.00 0.00 C ATOM 766 CG LEU A 825 11.802 -6.048 3.013 1.00 0.00 C ATOM 767 CD1 LEU A 825 10.328 -6.385 3.169 1.00 0.00 C ATOM 768 CD2 LEU A 825 12.278 -5.179 4.167 1.00 0.00 C ATOM 0 H LEU A 825 12.716 -7.245 0.463 1.00 0.00 H new ATOM 0 HA LEU A 825 14.419 -6.250 2.423 1.00 0.00 H new ATOM 0 HB2 LEU A 825 12.032 -8.104 2.458 1.00 0.00 H new ATOM 0 HB3 LEU A 825 12.858 -7.665 3.940 1.00 0.00 H new ATOM 0 HG LEU A 825 11.931 -5.488 2.087 1.00 0.00 H new ATOM 0 HD11 LEU A 825 9.748 -5.464 3.228 1.00 0.00 H new ATOM 0 HD12 LEU A 825 9.995 -6.969 2.311 1.00 0.00 H new ATOM 0 HD13 LEU A 825 10.182 -6.965 4.080 1.00 0.00 H new ATOM 0 HD21 LEU A 825 11.674 -4.273 4.213 1.00 0.00 H new ATOM 0 HD22 LEU A 825 12.178 -5.730 5.102 1.00 0.00 H new ATOM 0 HD23 LEU A 825 13.323 -4.911 4.014 1.00 0.00 H new ATOM 780 N TYR A 826 14.640 -9.512 1.961 1.00 0.00 N ATOM 781 CA TYR A 826 15.513 -10.666 2.150 1.00 0.00 C ATOM 782 C TYR A 826 16.930 -10.347 1.673 1.00 0.00 C ATOM 783 O TYR A 826 17.917 -10.705 2.321 1.00 0.00 O ATOM 784 CB TYR A 826 14.975 -11.869 1.371 1.00 0.00 C ATOM 785 CG TYR A 826 13.836 -12.597 2.049 1.00 0.00 C ATOM 786 CD1 TYR A 826 13.959 -13.084 3.345 1.00 0.00 C ATOM 787 CD2 TYR A 826 12.637 -12.810 1.379 1.00 0.00 C ATOM 788 CE1 TYR A 826 12.917 -13.759 3.955 1.00 0.00 C ATOM 789 CE2 TYR A 826 11.594 -13.485 1.981 1.00 0.00 C ATOM 790 CZ TYR A 826 11.739 -13.957 3.267 1.00 0.00 C ATOM 791 OH TYR A 826 10.701 -14.629 3.867 1.00 0.00 O ATOM 0 H TYR A 826 13.836 -9.689 1.359 1.00 0.00 H new ATOM 0 HA TYR A 826 15.538 -10.905 3.213 1.00 0.00 H new ATOM 0 HB2 TYR A 826 14.641 -11.531 0.390 1.00 0.00 H new ATOM 0 HB3 TYR A 826 15.791 -12.572 1.204 1.00 0.00 H new ATOM 0 HD1 TYR A 826 14.883 -12.933 3.884 1.00 0.00 H new ATOM 0 HD2 TYR A 826 12.519 -12.441 0.371 1.00 0.00 H new ATOM 0 HE1 TYR A 826 13.026 -14.129 4.964 1.00 0.00 H new ATOM 0 HE2 TYR A 826 10.669 -13.642 1.446 1.00 0.00 H new ATOM 0 HH TYR A 826 9.944 -14.682 3.247 1.00 0.00 H new ATOM 801 N THR A 827 17.015 -9.650 0.546 1.00 0.00 N ATOM 802 CA THR A 827 18.294 -9.332 -0.075 1.00 0.00 C ATOM 803 C THR A 827 19.105 -8.361 0.780 1.00 0.00 C ATOM 804 O THR A 827 20.294 -8.580 1.019 1.00 0.00 O ATOM 805 CB THR A 827 18.087 -8.724 -1.478 1.00 0.00 C ATOM 806 OG1 THR A 827 17.072 -9.450 -2.186 1.00 0.00 O ATOM 807 CG2 THR A 827 19.378 -8.747 -2.285 1.00 0.00 C ATOM 0 H THR A 827 16.205 -9.292 0.040 1.00 0.00 H new ATOM 0 HA THR A 827 18.848 -10.267 -0.164 1.00 0.00 H new ATOM 0 HB THR A 827 17.776 -7.687 -1.349 1.00 0.00 H new ATOM 0 HG1 THR A 827 16.199 -9.275 -1.777 1.00 0.00 H new ATOM 0 HG21 THR A 827 19.200 -8.312 -3.269 1.00 0.00 H new ATOM 0 HG22 THR A 827 20.142 -8.169 -1.765 1.00 0.00 H new ATOM 0 HG23 THR A 827 19.717 -9.777 -2.400 1.00 0.00 H new ATOM 815 N GLU A 828 18.457 -7.307 1.265 1.00 0.00 N ATOM 816 CA GLU A 828 19.148 -6.293 2.053 1.00 0.00 C ATOM 817 C GLU A 828 19.511 -6.837 3.429 1.00 0.00 C ATOM 818 O GLU A 828 20.513 -6.434 4.025 1.00 0.00 O ATOM 819 CB GLU A 828 18.297 -5.023 2.188 1.00 0.00 C ATOM 820 CG GLU A 828 17.515 -4.660 0.931 1.00 0.00 C ATOM 821 CD GLU A 828 18.387 -4.118 -0.189 1.00 0.00 C ATOM 822 OE1 GLU A 828 19.516 -4.619 -0.375 1.00 0.00 O ATOM 823 OE2 GLU A 828 17.941 -3.186 -0.897 1.00 0.00 O ATOM 0 H GLU A 828 17.461 -7.133 1.128 1.00 0.00 H new ATOM 0 HA GLU A 828 20.067 -6.031 1.529 1.00 0.00 H new ATOM 0 HB2 GLU A 828 17.597 -5.154 3.013 1.00 0.00 H new ATOM 0 HB3 GLU A 828 18.948 -4.189 2.451 1.00 0.00 H new ATOM 0 HG2 GLU A 828 16.986 -5.544 0.574 1.00 0.00 H new ATOM 0 HG3 GLU A 828 16.759 -3.917 1.185 1.00 0.00 H new ATOM 830 N ALA A 829 18.698 -7.763 3.931 1.00 0.00 N ATOM 831 CA ALA A 829 18.985 -8.419 5.197 1.00 0.00 C ATOM 832 C ALA A 829 20.222 -9.300 5.069 1.00 0.00 C ATOM 833 O ALA A 829 21.050 -9.365 5.981 1.00 0.00 O ATOM 834 CB ALA A 829 17.790 -9.239 5.660 1.00 0.00 C ATOM 0 H ALA A 829 17.838 -8.073 3.479 1.00 0.00 H new ATOM 0 HA ALA A 829 19.182 -7.652 5.946 1.00 0.00 H new ATOM 0 HB1 ALA A 829 18.025 -9.722 6.609 1.00 0.00 H new ATOM 0 HB2 ALA A 829 16.928 -8.585 5.790 1.00 0.00 H new ATOM 0 HB3 ALA A 829 17.559 -9.999 4.914 1.00 0.00 H new ATOM 840 N ALA A 830 20.349 -9.960 3.921 1.00 0.00 N ATOM 841 CA ALA A 830 21.482 -10.836 3.652 1.00 0.00 C ATOM 842 C ALA A 830 22.791 -10.054 3.610 1.00 0.00 C ATOM 843 O ALA A 830 23.820 -10.522 4.097 1.00 0.00 O ATOM 844 CB ALA A 830 21.267 -11.586 2.346 1.00 0.00 C ATOM 0 H ALA A 830 19.675 -9.903 3.158 1.00 0.00 H new ATOM 0 HA ALA A 830 21.552 -11.557 4.467 1.00 0.00 H new ATOM 0 HB1 ALA A 830 22.120 -12.237 2.156 1.00 0.00 H new ATOM 0 HB2 ALA A 830 20.360 -12.187 2.417 1.00 0.00 H new ATOM 0 HB3 ALA A 830 21.166 -10.872 1.529 1.00 0.00 H new ATOM 850 N THR A 831 22.754 -8.862 3.026 1.00 0.00 N ATOM 851 CA THR A 831 23.941 -8.022 2.940 1.00 0.00 C ATOM 852 C THR A 831 24.126 -7.199 4.213 1.00 0.00 C ATOM 853 O THR A 831 25.146 -6.531 4.391 1.00 0.00 O ATOM 854 CB THR A 831 23.859 -7.075 1.730 1.00 0.00 C ATOM 855 OG1 THR A 831 22.505 -6.643 1.546 1.00 0.00 O ATOM 856 CG2 THR A 831 24.352 -7.764 0.463 1.00 0.00 C ATOM 0 H THR A 831 21.917 -8.457 2.606 1.00 0.00 H new ATOM 0 HA THR A 831 24.798 -8.685 2.818 1.00 0.00 H new ATOM 0 HB THR A 831 24.498 -6.214 1.925 1.00 0.00 H new ATOM 0 HG1 THR A 831 22.456 -6.039 0.776 1.00 0.00 H new ATOM 0 HG21 THR A 831 24.283 -7.073 -0.377 1.00 0.00 H new ATOM 0 HG22 THR A 831 25.389 -8.072 0.596 1.00 0.00 H new ATOM 0 HG23 THR A 831 23.736 -8.641 0.263 1.00 0.00 H new ATOM 864 N SER A 832 23.119 -7.257 5.089 1.00 0.00 N ATOM 865 CA SER A 832 23.131 -6.552 6.363 1.00 0.00 C ATOM 866 C SER A 832 23.084 -5.048 6.133 1.00 0.00 C ATOM 867 O SER A 832 23.616 -4.266 6.917 1.00 0.00 O ATOM 868 CB SER A 832 24.353 -6.947 7.206 1.00 0.00 C ATOM 869 OG SER A 832 24.717 -8.300 6.970 1.00 0.00 O ATOM 0 H SER A 832 22.270 -7.799 4.928 1.00 0.00 H new ATOM 0 HA SER A 832 22.242 -6.842 6.924 1.00 0.00 H new ATOM 0 HB2 SER A 832 25.192 -6.294 6.966 1.00 0.00 H new ATOM 0 HB3 SER A 832 24.131 -6.805 8.264 1.00 0.00 H new ATOM 0 HG SER A 832 25.498 -8.529 7.516 1.00 0.00 H new ATOM 875 N ASP A 833 22.429 -4.650 5.047 1.00 0.00 N ATOM 876 CA ASP A 833 22.243 -3.242 4.739 1.00 0.00 C ATOM 877 C ASP A 833 20.976 -2.745 5.413 1.00 0.00 C ATOM 878 O ASP A 833 19.927 -2.619 4.786 1.00 0.00 O ATOM 879 CB ASP A 833 22.159 -3.012 3.228 1.00 0.00 C ATOM 880 CG ASP A 833 22.450 -1.571 2.847 1.00 0.00 C ATOM 881 OD1 ASP A 833 21.899 -0.654 3.487 1.00 0.00 O ATOM 882 OD2 ASP A 833 23.241 -1.349 1.905 1.00 0.00 O ATOM 0 H ASP A 833 22.018 -5.288 4.365 1.00 0.00 H new ATOM 0 HA ASP A 833 23.103 -2.687 5.113 1.00 0.00 H new ATOM 0 HB2 ASP A 833 22.867 -3.669 2.723 1.00 0.00 H new ATOM 0 HB3 ASP A 833 21.164 -3.285 2.876 1.00 0.00 H new ATOM 887 N PHE A 834 21.083 -2.494 6.705 1.00 0.00 N ATOM 888 CA PHE A 834 19.946 -2.071 7.514 1.00 0.00 C ATOM 889 C PHE A 834 19.423 -0.695 7.107 1.00 0.00 C ATOM 890 O PHE A 834 18.292 -0.336 7.436 1.00 0.00 O ATOM 891 CB PHE A 834 20.318 -2.086 9.000 1.00 0.00 C ATOM 892 CG PHE A 834 20.898 -3.396 9.454 1.00 0.00 C ATOM 893 CD1 PHE A 834 20.107 -4.532 9.520 1.00 0.00 C ATOM 894 CD2 PHE A 834 22.233 -3.492 9.809 1.00 0.00 C ATOM 895 CE1 PHE A 834 20.639 -5.740 9.930 1.00 0.00 C ATOM 896 CE2 PHE A 834 22.770 -4.696 10.220 1.00 0.00 C ATOM 897 CZ PHE A 834 21.973 -5.821 10.280 1.00 0.00 C ATOM 0 H PHE A 834 21.956 -2.576 7.225 1.00 0.00 H new ATOM 0 HA PHE A 834 19.140 -2.783 7.338 1.00 0.00 H new ATOM 0 HB2 PHE A 834 21.037 -1.291 9.195 1.00 0.00 H new ATOM 0 HB3 PHE A 834 19.430 -1.865 9.592 1.00 0.00 H new ATOM 0 HD1 PHE A 834 19.063 -4.473 9.248 1.00 0.00 H new ATOM 0 HD2 PHE A 834 22.862 -2.615 9.764 1.00 0.00 H new ATOM 0 HE1 PHE A 834 20.013 -6.619 9.977 1.00 0.00 H new ATOM 0 HE2 PHE A 834 23.813 -4.757 10.494 1.00 0.00 H new ATOM 0 HZ PHE A 834 22.392 -6.764 10.600 1.00 0.00 H new ATOM 907 N ALA A 835 20.233 0.074 6.393 1.00 0.00 N ATOM 908 CA ALA A 835 19.767 1.340 5.845 1.00 0.00 C ATOM 909 C ALA A 835 18.800 1.075 4.699 1.00 0.00 C ATOM 910 O ALA A 835 17.748 1.708 4.590 1.00 0.00 O ATOM 911 CB ALA A 835 20.938 2.188 5.375 1.00 0.00 C ATOM 0 H ALA A 835 21.205 -0.153 6.181 1.00 0.00 H new ATOM 0 HA ALA A 835 19.248 1.894 6.627 1.00 0.00 H new ATOM 0 HB1 ALA A 835 20.566 3.129 4.969 1.00 0.00 H new ATOM 0 HB2 ALA A 835 21.600 2.392 6.216 1.00 0.00 H new ATOM 0 HB3 ALA A 835 21.488 1.652 4.602 1.00 0.00 H new ATOM 917 N ALA A 836 19.145 0.095 3.875 1.00 0.00 N ATOM 918 CA ALA A 836 18.318 -0.267 2.735 1.00 0.00 C ATOM 919 C ALA A 836 17.130 -1.076 3.215 1.00 0.00 C ATOM 920 O ALA A 836 16.029 -0.968 2.678 1.00 0.00 O ATOM 921 CB ALA A 836 19.122 -1.053 1.711 1.00 0.00 C ATOM 0 H ALA A 836 19.993 -0.463 3.976 1.00 0.00 H new ATOM 0 HA ALA A 836 17.963 0.642 2.250 1.00 0.00 H new ATOM 0 HB1 ALA A 836 18.482 -1.313 0.868 1.00 0.00 H new ATOM 0 HB2 ALA A 836 19.957 -0.446 1.360 1.00 0.00 H new ATOM 0 HB3 ALA A 836 19.504 -1.965 2.170 1.00 0.00 H new ATOM 927 N LEU A 837 17.369 -1.881 4.238 1.00 0.00 N ATOM 928 CA LEU A 837 16.318 -2.635 4.897 1.00 0.00 C ATOM 929 C LEU A 837 15.220 -1.694 5.375 1.00 0.00 C ATOM 930 O LEU A 837 14.037 -1.919 5.117 1.00 0.00 O ATOM 931 CB LEU A 837 16.896 -3.408 6.082 1.00 0.00 C ATOM 932 CG LEU A 837 17.134 -4.897 5.837 1.00 0.00 C ATOM 933 CD1 LEU A 837 17.718 -5.553 7.077 1.00 0.00 C ATOM 934 CD2 LEU A 837 15.841 -5.585 5.434 1.00 0.00 C ATOM 0 H LEU A 837 18.297 -2.029 4.634 1.00 0.00 H new ATOM 0 HA LEU A 837 15.891 -3.342 4.186 1.00 0.00 H new ATOM 0 HB2 LEU A 837 17.842 -2.948 6.368 1.00 0.00 H new ATOM 0 HB3 LEU A 837 16.220 -3.300 6.930 1.00 0.00 H new ATOM 0 HG LEU A 837 17.849 -5.000 5.021 1.00 0.00 H new ATOM 0 HD11 LEU A 837 17.881 -6.613 6.885 1.00 0.00 H new ATOM 0 HD12 LEU A 837 18.667 -5.079 7.326 1.00 0.00 H new ATOM 0 HD13 LEU A 837 17.025 -5.438 7.910 1.00 0.00 H new ATOM 0 HD21 LEU A 837 16.031 -6.645 5.264 1.00 0.00 H new ATOM 0 HD22 LEU A 837 15.105 -5.471 6.230 1.00 0.00 H new ATOM 0 HD23 LEU A 837 15.458 -5.133 4.519 1.00 0.00 H new ATOM 946 N ALA A 838 15.626 -0.627 6.054 1.00 0.00 N ATOM 947 CA ALA A 838 14.689 0.371 6.551 1.00 0.00 C ATOM 948 C ALA A 838 13.971 1.067 5.400 1.00 0.00 C ATOM 949 O ALA A 838 12.772 1.316 5.470 1.00 0.00 O ATOM 950 CB ALA A 838 15.408 1.393 7.418 1.00 0.00 C ATOM 0 H ALA A 838 16.603 -0.431 6.273 1.00 0.00 H new ATOM 0 HA ALA A 838 13.943 -0.141 7.159 1.00 0.00 H new ATOM 0 HB1 ALA A 838 14.692 2.131 7.780 1.00 0.00 H new ATOM 0 HB2 ALA A 838 15.871 0.889 8.267 1.00 0.00 H new ATOM 0 HB3 ALA A 838 16.177 1.893 6.829 1.00 0.00 H new ATOM 956 N GLN A 839 14.713 1.375 4.338 1.00 0.00 N ATOM 957 CA GLN A 839 14.140 2.026 3.163 1.00 0.00 C ATOM 958 C GLN A 839 13.125 1.121 2.464 1.00 0.00 C ATOM 959 O GLN A 839 12.098 1.590 1.963 1.00 0.00 O ATOM 960 CB GLN A 839 15.246 2.427 2.185 1.00 0.00 C ATOM 961 CG GLN A 839 16.003 3.679 2.597 1.00 0.00 C ATOM 962 CD GLN A 839 15.084 4.846 2.904 1.00 0.00 C ATOM 963 OE1 GLN A 839 14.491 4.923 3.982 1.00 0.00 O ATOM 964 NE2 GLN A 839 14.960 5.762 1.958 1.00 0.00 N ATOM 0 H GLN A 839 15.712 1.184 4.268 1.00 0.00 H new ATOM 0 HA GLN A 839 13.619 2.922 3.500 1.00 0.00 H new ATOM 0 HB2 GLN A 839 15.951 1.602 2.090 1.00 0.00 H new ATOM 0 HB3 GLN A 839 14.807 2.586 1.200 1.00 0.00 H new ATOM 0 HG2 GLN A 839 16.610 3.459 3.476 1.00 0.00 H new ATOM 0 HG3 GLN A 839 16.689 3.963 1.799 1.00 0.00 H new ATOM 0 HE21 GLN A 839 15.469 5.660 1.080 1.00 0.00 H new ATOM 0 HE22 GLN A 839 14.356 6.570 2.107 1.00 0.00 H new ATOM 973 N THR A 840 13.409 -0.172 2.427 1.00 0.00 N ATOM 974 CA THR A 840 12.491 -1.128 1.827 1.00 0.00 C ATOM 975 C THR A 840 11.249 -1.302 2.701 1.00 0.00 C ATOM 976 O THR A 840 10.131 -1.374 2.196 1.00 0.00 O ATOM 977 CB THR A 840 13.165 -2.494 1.590 1.00 0.00 C ATOM 978 OG1 THR A 840 14.470 -2.299 1.030 1.00 0.00 O ATOM 979 CG2 THR A 840 12.334 -3.355 0.648 1.00 0.00 C ATOM 0 H THR A 840 14.264 -0.582 2.803 1.00 0.00 H new ATOM 0 HA THR A 840 12.193 -0.728 0.858 1.00 0.00 H new ATOM 0 HB THR A 840 13.246 -3.006 2.549 1.00 0.00 H new ATOM 0 HG1 THR A 840 15.107 -2.099 1.747 1.00 0.00 H new ATOM 0 HG21 THR A 840 12.831 -4.313 0.497 1.00 0.00 H new ATOM 0 HG22 THR A 840 11.348 -3.522 1.082 1.00 0.00 H new ATOM 0 HG23 THR A 840 12.227 -2.847 -0.310 1.00 0.00 H new ATOM 987 N ALA A 841 11.445 -1.348 4.012 1.00 0.00 N ATOM 988 CA ALA A 841 10.325 -1.410 4.940 1.00 0.00 C ATOM 989 C ALA A 841 9.519 -0.114 4.875 1.00 0.00 C ATOM 990 O ALA A 841 8.302 -0.117 5.041 1.00 0.00 O ATOM 991 CB ALA A 841 10.824 -1.663 6.353 1.00 0.00 C ATOM 0 H ALA A 841 12.364 -1.344 4.455 1.00 0.00 H new ATOM 0 HA ALA A 841 9.674 -2.237 4.655 1.00 0.00 H new ATOM 0 HB1 ALA A 841 9.976 -1.707 7.036 1.00 0.00 H new ATOM 0 HB2 ALA A 841 11.364 -2.609 6.384 1.00 0.00 H new ATOM 0 HB3 ALA A 841 11.490 -0.855 6.654 1.00 0.00 H new ATOM 997 N HIS A 842 10.221 0.988 4.618 1.00 0.00 N ATOM 998 CA HIS A 842 9.598 2.297 4.437 1.00 0.00 C ATOM 999 C HIS A 842 8.607 2.269 3.281 1.00 0.00 C ATOM 1000 O HIS A 842 7.468 2.720 3.413 1.00 0.00 O ATOM 1001 CB HIS A 842 10.675 3.347 4.153 1.00 0.00 C ATOM 1002 CG HIS A 842 10.768 4.437 5.171 1.00 0.00 C ATOM 1003 ND1 HIS A 842 10.481 4.260 6.505 1.00 0.00 N ATOM 1004 CD2 HIS A 842 11.147 5.730 5.040 1.00 0.00 C ATOM 1005 CE1 HIS A 842 10.679 5.396 7.150 1.00 0.00 C ATOM 1006 NE2 HIS A 842 11.085 6.305 6.283 1.00 0.00 N ATOM 0 H HIS A 842 11.237 0.998 4.529 1.00 0.00 H new ATOM 0 HA HIS A 842 9.064 2.552 5.352 1.00 0.00 H new ATOM 0 HB2 HIS A 842 11.641 2.847 4.086 1.00 0.00 H new ATOM 0 HB3 HIS A 842 10.479 3.794 3.178 1.00 0.00 H new ATOM 0 HD1 HIS A 842 10.165 3.388 6.930 1.00 0.00 H new ATOM 0 HD2 HIS A 842 11.444 6.219 4.124 1.00 0.00 H new ATOM 0 HE1 HIS A 842 10.533 5.554 8.208 1.00 0.00 H new ATOM 1015 N ARG A 843 9.050 1.744 2.146 1.00 0.00 N ATOM 1016 CA ARG A 843 8.203 1.675 0.966 1.00 0.00 C ATOM 1017 C ARG A 843 7.057 0.685 1.174 1.00 0.00 C ATOM 1018 O ARG A 843 5.938 0.920 0.723 1.00 0.00 O ATOM 1019 CB ARG A 843 9.028 1.310 -0.278 1.00 0.00 C ATOM 1020 CG ARG A 843 9.280 -0.178 -0.453 1.00 0.00 C ATOM 1021 CD ARG A 843 10.446 -0.443 -1.390 1.00 0.00 C ATOM 1022 NE ARG A 843 10.026 -0.452 -2.787 1.00 0.00 N ATOM 1023 CZ ARG A 843 10.300 0.520 -3.657 1.00 0.00 C ATOM 1024 NH1 ARG A 843 11.076 1.539 -3.298 1.00 0.00 N ATOM 1025 NH2 ARG A 843 9.802 0.469 -4.886 1.00 0.00 N ATOM 0 H ARG A 843 9.987 1.362 2.019 1.00 0.00 H new ATOM 0 HA ARG A 843 7.768 2.661 0.804 1.00 0.00 H new ATOM 0 HB2 ARG A 843 8.513 1.685 -1.163 1.00 0.00 H new ATOM 0 HB3 ARG A 843 9.988 1.824 -0.226 1.00 0.00 H new ATOM 0 HG2 ARG A 843 9.483 -0.630 0.518 1.00 0.00 H new ATOM 0 HG3 ARG A 843 8.382 -0.656 -0.845 1.00 0.00 H new ATOM 0 HD2 ARG A 843 11.210 0.321 -1.245 1.00 0.00 H new ATOM 0 HD3 ARG A 843 10.902 -1.401 -1.141 1.00 0.00 H new ATOM 0 HE ARG A 843 9.489 -1.253 -3.119 1.00 0.00 H new ATOM 0 HH11 ARG A 843 11.463 1.578 -2.355 1.00 0.00 H new ATOM 0 HH12 ARG A 843 11.284 2.281 -3.966 1.00 0.00 H new ATOM 0 HH21 ARG A 843 9.210 -0.314 -5.164 1.00 0.00 H new ATOM 0 HH22 ARG A 843 10.011 1.212 -5.552 1.00 0.00 H new ATOM 1039 N LEU A 844 7.332 -0.407 1.881 1.00 0.00 N ATOM 1040 CA LEU A 844 6.313 -1.416 2.149 1.00 0.00 C ATOM 1041 C LEU A 844 5.264 -0.865 3.106 1.00 0.00 C ATOM 1042 O LEU A 844 4.068 -1.103 2.943 1.00 0.00 O ATOM 1043 CB LEU A 844 6.949 -2.679 2.727 1.00 0.00 C ATOM 1044 CG LEU A 844 6.821 -3.924 1.850 1.00 0.00 C ATOM 1045 CD1 LEU A 844 8.093 -4.145 1.046 1.00 0.00 C ATOM 1046 CD2 LEU A 844 6.508 -5.145 2.703 1.00 0.00 C ATOM 0 H LEU A 844 8.248 -0.615 2.277 1.00 0.00 H new ATOM 0 HA LEU A 844 5.826 -1.675 1.209 1.00 0.00 H new ATOM 0 HB2 LEU A 844 8.007 -2.486 2.906 1.00 0.00 H new ATOM 0 HB3 LEU A 844 6.494 -2.887 3.696 1.00 0.00 H new ATOM 0 HG LEU A 844 5.998 -3.771 1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 844 7.983 -5.036 0.428 1.00 0.00 H new ATOM 0 HD12 LEU A 844 8.275 -3.281 0.407 1.00 0.00 H new ATOM 0 HD13 LEU A 844 8.935 -4.277 1.726 1.00 0.00 H new ATOM 0 HD21 LEU A 844 6.420 -6.023 2.063 1.00 0.00 H new ATOM 0 HD22 LEU A 844 7.310 -5.300 3.424 1.00 0.00 H new ATOM 0 HD23 LEU A 844 5.569 -4.987 3.234 1.00 0.00 H new ATOM 1058 N LYS A 845 5.725 -0.114 4.095 1.00 0.00 N ATOM 1059 CA LYS A 845 4.837 0.573 5.018 1.00 0.00 C ATOM 1060 C LYS A 845 3.914 1.510 4.244 1.00 0.00 C ATOM 1061 O LYS A 845 2.705 1.549 4.480 1.00 0.00 O ATOM 1062 CB LYS A 845 5.663 1.352 6.052 1.00 0.00 C ATOM 1063 CG LYS A 845 4.979 2.603 6.592 1.00 0.00 C ATOM 1064 CD LYS A 845 5.853 3.357 7.587 1.00 0.00 C ATOM 1065 CE LYS A 845 6.747 2.424 8.390 1.00 0.00 C ATOM 1066 NZ LYS A 845 7.628 3.172 9.325 1.00 0.00 N ATOM 0 H LYS A 845 6.717 0.035 4.279 1.00 0.00 H new ATOM 0 HA LYS A 845 4.224 -0.158 5.546 1.00 0.00 H new ATOM 0 HB2 LYS A 845 5.895 0.690 6.887 1.00 0.00 H new ATOM 0 HB3 LYS A 845 6.612 1.638 5.599 1.00 0.00 H new ATOM 0 HG2 LYS A 845 4.725 3.263 5.762 1.00 0.00 H new ATOM 0 HG3 LYS A 845 4.042 2.323 7.074 1.00 0.00 H new ATOM 0 HD2 LYS A 845 6.471 4.078 7.052 1.00 0.00 H new ATOM 0 HD3 LYS A 845 5.219 3.925 8.268 1.00 0.00 H new ATOM 0 HE2 LYS A 845 6.129 1.725 8.954 1.00 0.00 H new ATOM 0 HE3 LYS A 845 7.359 1.832 7.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 845 8.406 2.556 9.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 845 8.019 4.006 8.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 845 7.076 3.478 10.152 1.00 0.00 H new ATOM 1080 N GLY A 846 4.495 2.240 3.298 1.00 0.00 N ATOM 1081 CA GLY A 846 3.732 3.189 2.516 1.00 0.00 C ATOM 1082 C GLY A 846 2.726 2.527 1.593 1.00 0.00 C ATOM 1083 O GLY A 846 1.572 2.956 1.517 1.00 0.00 O ATOM 0 H GLY A 846 5.485 2.189 3.060 1.00 0.00 H new ATOM 0 HA2 GLY A 846 3.207 3.867 3.189 1.00 0.00 H new ATOM 0 HA3 GLY A 846 4.416 3.795 1.923 1.00 0.00 H new ATOM 1087 N VAL A 847 3.147 1.477 0.895 1.00 0.00 N ATOM 1088 CA VAL A 847 2.267 0.804 -0.052 1.00 0.00 C ATOM 1089 C VAL A 847 1.142 0.062 0.665 1.00 0.00 C ATOM 1090 O VAL A 847 0.021 0.009 0.165 1.00 0.00 O ATOM 1091 CB VAL A 847 3.022 -0.173 -0.989 1.00 0.00 C ATOM 1092 CG1 VAL A 847 3.979 0.584 -1.896 1.00 0.00 C ATOM 1093 CG2 VAL A 847 3.765 -1.249 -0.207 1.00 0.00 C ATOM 0 H VAL A 847 4.083 1.077 0.966 1.00 0.00 H new ATOM 0 HA VAL A 847 1.841 1.592 -0.672 1.00 0.00 H new ATOM 0 HB VAL A 847 2.276 -0.673 -1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 847 4.499 -0.120 -2.545 1.00 0.00 H new ATOM 0 HG12 VAL A 847 3.419 1.294 -2.505 1.00 0.00 H new ATOM 0 HG13 VAL A 847 4.707 1.122 -1.289 1.00 0.00 H new ATOM 0 HG21 VAL A 847 4.281 -1.913 -0.901 1.00 0.00 H new ATOM 0 HG22 VAL A 847 4.493 -0.780 0.455 1.00 0.00 H new ATOM 0 HG23 VAL A 847 3.054 -1.825 0.385 1.00 0.00 H new ATOM 1103 N PHE A 848 1.425 -0.487 1.842 1.00 0.00 N ATOM 1104 CA PHE A 848 0.407 -1.201 2.593 1.00 0.00 C ATOM 1105 C PHE A 848 -0.606 -0.213 3.154 1.00 0.00 C ATOM 1106 O PHE A 848 -1.810 -0.460 3.123 1.00 0.00 O ATOM 1107 CB PHE A 848 1.035 -2.040 3.709 1.00 0.00 C ATOM 1108 CG PHE A 848 1.443 -3.420 3.257 1.00 0.00 C ATOM 1109 CD1 PHE A 848 0.926 -3.961 2.089 1.00 0.00 C ATOM 1110 CD2 PHE A 848 2.343 -4.171 3.993 1.00 0.00 C ATOM 1111 CE1 PHE A 848 1.300 -5.224 1.666 1.00 0.00 C ATOM 1112 CE2 PHE A 848 2.720 -5.436 3.576 1.00 0.00 C ATOM 1113 CZ PHE A 848 2.198 -5.963 2.410 1.00 0.00 C ATOM 0 H PHE A 848 2.341 -0.451 2.290 1.00 0.00 H new ATOM 0 HA PHE A 848 -0.109 -1.887 1.921 1.00 0.00 H new ATOM 0 HB2 PHE A 848 1.910 -1.519 4.098 1.00 0.00 H new ATOM 0 HB3 PHE A 848 0.325 -2.129 4.531 1.00 0.00 H new ATOM 0 HD1 PHE A 848 0.222 -3.389 1.502 1.00 0.00 H new ATOM 0 HD2 PHE A 848 2.756 -3.765 4.904 1.00 0.00 H new ATOM 0 HE1 PHE A 848 0.890 -5.632 0.754 1.00 0.00 H new ATOM 0 HE2 PHE A 848 3.422 -6.011 4.162 1.00 0.00 H new ATOM 0 HZ PHE A 848 2.491 -6.949 2.082 1.00 0.00 H new ATOM 1123 N ALA A 849 -0.110 0.922 3.634 1.00 0.00 N ATOM 1124 CA ALA A 849 -0.976 2.001 4.091 1.00 0.00 C ATOM 1125 C ALA A 849 -1.854 2.489 2.945 1.00 0.00 C ATOM 1126 O ALA A 849 -3.027 2.800 3.131 1.00 0.00 O ATOM 1127 CB ALA A 849 -0.143 3.147 4.645 1.00 0.00 C ATOM 0 H ALA A 849 0.888 1.118 3.716 1.00 0.00 H new ATOM 0 HA ALA A 849 -1.618 1.623 4.887 1.00 0.00 H new ATOM 0 HB1 ALA A 849 -0.803 3.946 4.983 1.00 0.00 H new ATOM 0 HB2 ALA A 849 0.454 2.790 5.484 1.00 0.00 H new ATOM 0 HB3 ALA A 849 0.517 3.527 3.865 1.00 0.00 H new ATOM 1133 N MET A 850 -1.267 2.535 1.754 1.00 0.00 N ATOM 1134 CA MET A 850 -1.989 2.919 0.547 1.00 0.00 C ATOM 1135 C MET A 850 -3.072 1.890 0.223 1.00 0.00 C ATOM 1136 O MET A 850 -4.208 2.246 -0.092 1.00 0.00 O ATOM 1137 CB MET A 850 -1.012 3.053 -0.626 1.00 0.00 C ATOM 1138 CG MET A 850 -1.669 3.479 -1.928 1.00 0.00 C ATOM 1139 SD MET A 850 -2.505 5.070 -1.801 1.00 0.00 S ATOM 1140 CE MET A 850 -3.979 4.748 -2.770 1.00 0.00 C ATOM 0 H MET A 850 -0.285 2.309 1.599 1.00 0.00 H new ATOM 0 HA MET A 850 -2.470 3.882 0.717 1.00 0.00 H new ATOM 0 HB2 MET A 850 -0.242 3.779 -0.364 1.00 0.00 H new ATOM 0 HB3 MET A 850 -0.510 2.098 -0.779 1.00 0.00 H new ATOM 0 HG2 MET A 850 -0.912 3.533 -2.711 1.00 0.00 H new ATOM 0 HG3 MET A 850 -2.389 2.719 -2.232 1.00 0.00 H new ATOM 0 HE1 MET A 850 -4.604 5.641 -2.789 1.00 0.00 H new ATOM 0 HE2 MET A 850 -3.694 4.483 -3.788 1.00 0.00 H new ATOM 0 HE3 MET A 850 -4.536 3.924 -2.323 1.00 0.00 H new ATOM 1150 N LEU A 851 -2.718 0.614 0.324 1.00 0.00 N ATOM 1151 CA LEU A 851 -3.663 -0.475 0.075 1.00 0.00 C ATOM 1152 C LEU A 851 -4.678 -0.589 1.209 1.00 0.00 C ATOM 1153 O LEU A 851 -5.641 -1.349 1.111 1.00 0.00 O ATOM 1154 CB LEU A 851 -2.919 -1.806 -0.083 1.00 0.00 C ATOM 1155 CG LEU A 851 -1.899 -1.856 -1.225 1.00 0.00 C ATOM 1156 CD1 LEU A 851 -1.133 -3.170 -1.201 1.00 0.00 C ATOM 1157 CD2 LEU A 851 -2.591 -1.665 -2.566 1.00 0.00 C ATOM 0 H LEU A 851 -1.780 0.304 0.578 1.00 0.00 H new ATOM 0 HA LEU A 851 -4.195 -0.248 -0.849 1.00 0.00 H new ATOM 0 HB2 LEU A 851 -2.404 -2.028 0.852 1.00 0.00 H new ATOM 0 HB3 LEU A 851 -3.653 -2.597 -0.239 1.00 0.00 H new ATOM 0 HG LEU A 851 -1.187 -1.042 -1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 851 -0.413 -3.187 -2.020 1.00 0.00 H new ATOM 0 HD12 LEU A 851 -0.605 -3.266 -0.252 1.00 0.00 H new ATOM 0 HD13 LEU A 851 -1.831 -4.000 -1.314 1.00 0.00 H new ATOM 0 HD21 LEU A 851 -1.851 -1.703 -3.366 1.00 0.00 H new ATOM 0 HD22 LEU A 851 -3.325 -2.457 -2.713 1.00 0.00 H new ATOM 0 HD23 LEU A 851 -3.093 -0.698 -2.582 1.00 0.00 H new ATOM 1169 N ASN A 852 -4.420 0.151 2.293 1.00 0.00 N ATOM 1170 CA ASN A 852 -5.323 0.240 3.447 1.00 0.00 C ATOM 1171 C ASN A 852 -5.154 -0.979 4.341 1.00 0.00 C ATOM 1172 O ASN A 852 -6.022 -1.312 5.148 1.00 0.00 O ATOM 1173 CB ASN A 852 -6.789 0.407 3.019 1.00 0.00 C ATOM 1174 CG ASN A 852 -7.201 1.864 2.893 1.00 0.00 C ATOM 1175 OD1 ASN A 852 -8.256 2.267 3.384 1.00 0.00 O ATOM 1176 ND2 ASN A 852 -6.381 2.663 2.226 1.00 0.00 N ATOM 0 H ASN A 852 -3.573 0.709 2.395 1.00 0.00 H new ATOM 0 HA ASN A 852 -5.053 1.132 4.012 1.00 0.00 H new ATOM 0 HB2 ASN A 852 -6.943 -0.094 2.063 1.00 0.00 H new ATOM 0 HB3 ASN A 852 -7.434 -0.087 3.746 1.00 0.00 H new ATOM 0 HD21 ASN A 852 -6.615 3.648 2.105 1.00 0.00 H new ATOM 0 HD22 ASN A 852 -5.515 2.293 1.833 1.00 0.00 H new ATOM 1183 N LEU A 853 -4.010 -1.627 4.200 1.00 0.00 N ATOM 1184 CA LEU A 853 -3.660 -2.771 5.016 1.00 0.00 C ATOM 1185 C LEU A 853 -2.990 -2.296 6.297 1.00 0.00 C ATOM 1186 O LEU A 853 -1.764 -2.338 6.417 1.00 0.00 O ATOM 1187 CB LEU A 853 -2.720 -3.699 4.248 1.00 0.00 C ATOM 1188 CG LEU A 853 -3.340 -5.013 3.781 1.00 0.00 C ATOM 1189 CD1 LEU A 853 -2.804 -5.393 2.410 1.00 0.00 C ATOM 1190 CD2 LEU A 853 -3.059 -6.114 4.790 1.00 0.00 C ATOM 0 H LEU A 853 -3.299 -1.372 3.515 1.00 0.00 H new ATOM 0 HA LEU A 853 -4.567 -3.322 5.266 1.00 0.00 H new ATOM 0 HB2 LEU A 853 -2.341 -3.165 3.377 1.00 0.00 H new ATOM 0 HB3 LEU A 853 -1.862 -3.926 4.881 1.00 0.00 H new ATOM 0 HG LEU A 853 -4.419 -4.883 3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 853 -3.255 -6.332 2.090 1.00 0.00 H new ATOM 0 HD12 LEU A 853 -3.050 -4.610 1.693 1.00 0.00 H new ATOM 0 HD13 LEU A 853 -1.722 -5.510 2.462 1.00 0.00 H new ATOM 0 HD21 LEU A 853 -3.507 -7.046 4.445 1.00 0.00 H new ATOM 0 HD22 LEU A 853 -1.982 -6.245 4.895 1.00 0.00 H new ATOM 0 HD23 LEU A 853 -3.487 -5.841 5.755 1.00 0.00 H new ATOM 1202 N VAL A 854 -3.802 -1.830 7.238 1.00 0.00 N ATOM 1203 CA VAL A 854 -3.302 -1.317 8.514 1.00 0.00 C ATOM 1204 C VAL A 854 -2.381 -2.328 9.213 1.00 0.00 C ATOM 1205 O VAL A 854 -1.250 -1.985 9.558 1.00 0.00 O ATOM 1206 CB VAL A 854 -4.449 -0.907 9.469 1.00 0.00 C ATOM 1207 CG1 VAL A 854 -3.981 0.180 10.429 1.00 0.00 C ATOM 1208 CG2 VAL A 854 -5.670 -0.443 8.687 1.00 0.00 C ATOM 0 H VAL A 854 -4.817 -1.796 7.143 1.00 0.00 H new ATOM 0 HA VAL A 854 -2.723 -0.425 8.274 1.00 0.00 H new ATOM 0 HB VAL A 854 -4.735 -1.783 10.051 1.00 0.00 H new ATOM 0 HG11 VAL A 854 -4.800 0.456 11.093 1.00 0.00 H new ATOM 0 HG12 VAL A 854 -3.144 -0.192 11.020 1.00 0.00 H new ATOM 0 HG13 VAL A 854 -3.663 1.055 9.861 1.00 0.00 H new ATOM 0 HG21 VAL A 854 -6.461 -0.161 9.382 1.00 0.00 H new ATOM 0 HG22 VAL A 854 -5.403 0.417 8.072 1.00 0.00 H new ATOM 0 HG23 VAL A 854 -6.021 -1.252 8.047 1.00 0.00 H new ATOM 1218 N PRO A 855 -2.828 -3.591 9.420 1.00 0.00 N ATOM 1219 CA PRO A 855 -1.989 -4.629 10.034 1.00 0.00 C ATOM 1220 C PRO A 855 -0.706 -4.875 9.242 1.00 0.00 C ATOM 1221 O PRO A 855 0.339 -5.179 9.814 1.00 0.00 O ATOM 1222 CB PRO A 855 -2.875 -5.882 10.021 1.00 0.00 C ATOM 1223 CG PRO A 855 -3.952 -5.587 9.036 1.00 0.00 C ATOM 1224 CD PRO A 855 -4.172 -4.106 9.104 1.00 0.00 C ATOM 0 HA PRO A 855 -1.663 -4.342 11.034 1.00 0.00 H new ATOM 0 HB2 PRO A 855 -2.305 -6.764 9.729 1.00 0.00 H new ATOM 0 HB3 PRO A 855 -3.289 -6.082 11.009 1.00 0.00 H new ATOM 0 HG2 PRO A 855 -3.658 -5.893 8.032 1.00 0.00 H new ATOM 0 HG3 PRO A 855 -4.865 -6.130 9.280 1.00 0.00 H new ATOM 0 HD2 PRO A 855 -4.546 -3.709 8.160 1.00 0.00 H new ATOM 0 HD3 PRO A 855 -4.898 -3.840 9.872 1.00 0.00 H new ATOM 1232 N GLY A 856 -0.790 -4.724 7.925 1.00 0.00 N ATOM 1233 CA GLY A 856 0.375 -4.905 7.082 1.00 0.00 C ATOM 1234 C GLY A 856 1.412 -3.832 7.326 1.00 0.00 C ATOM 1235 O GLY A 856 2.596 -4.126 7.506 1.00 0.00 O ATOM 0 H GLY A 856 -1.646 -4.479 7.426 1.00 0.00 H new ATOM 0 HA2 GLY A 856 0.813 -5.885 7.272 1.00 0.00 H new ATOM 0 HA3 GLY A 856 0.073 -4.888 6.035 1.00 0.00 H new ATOM 1239 N LYS A 857 0.964 -2.583 7.355 1.00 0.00 N ATOM 1240 CA LYS A 857 1.852 -1.465 7.634 1.00 0.00 C ATOM 1241 C LYS A 857 2.364 -1.555 9.071 1.00 0.00 C ATOM 1242 O LYS A 857 3.506 -1.206 9.351 1.00 0.00 O ATOM 1243 CB LYS A 857 1.134 -0.130 7.390 1.00 0.00 C ATOM 1244 CG LYS A 857 1.902 1.089 7.883 1.00 0.00 C ATOM 1245 CD LYS A 857 1.074 1.930 8.841 1.00 0.00 C ATOM 1246 CE LYS A 857 1.670 3.320 9.020 1.00 0.00 C ATOM 1247 NZ LYS A 857 1.889 3.657 10.454 1.00 0.00 N ATOM 0 H LYS A 857 -0.008 -2.321 7.189 1.00 0.00 H new ATOM 0 HA LYS A 857 2.705 -1.513 6.957 1.00 0.00 H new ATOM 0 HB2 LYS A 857 0.947 -0.020 6.322 1.00 0.00 H new ATOM 0 HB3 LYS A 857 0.162 -0.157 7.883 1.00 0.00 H new ATOM 0 HG2 LYS A 857 2.816 0.765 8.381 1.00 0.00 H new ATOM 0 HG3 LYS A 857 2.202 1.699 7.031 1.00 0.00 H new ATOM 0 HD2 LYS A 857 0.055 2.016 8.464 1.00 0.00 H new ATOM 0 HD3 LYS A 857 1.015 1.431 9.808 1.00 0.00 H new ATOM 0 HE2 LYS A 857 2.618 3.379 8.486 1.00 0.00 H new ATOM 0 HE3 LYS A 857 1.006 4.059 8.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 857 2.033 4.682 10.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 857 1.058 3.370 11.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 857 2.729 3.154 10.804 1.00 0.00 H new ATOM 1261 N GLN A 858 1.514 -2.045 9.971 1.00 0.00 N ATOM 1262 CA GLN A 858 1.899 -2.263 11.366 1.00 0.00 C ATOM 1263 C GLN A 858 3.072 -3.237 11.456 1.00 0.00 C ATOM 1264 O GLN A 858 4.008 -3.032 12.234 1.00 0.00 O ATOM 1265 CB GLN A 858 0.714 -2.806 12.168 1.00 0.00 C ATOM 1266 CG GLN A 858 0.082 -1.780 13.093 1.00 0.00 C ATOM 1267 CD GLN A 858 -0.155 -2.320 14.491 1.00 0.00 C ATOM 1268 OE1 GLN A 858 0.785 -2.668 15.206 1.00 0.00 O ATOM 1269 NE2 GLN A 858 -1.412 -2.381 14.897 1.00 0.00 N ATOM 0 H GLN A 858 0.549 -2.300 9.759 1.00 0.00 H new ATOM 0 HA GLN A 858 2.205 -1.305 11.786 1.00 0.00 H new ATOM 0 HB2 GLN A 858 -0.044 -3.174 11.476 1.00 0.00 H new ATOM 0 HB3 GLN A 858 1.047 -3.659 12.759 1.00 0.00 H new ATOM 0 HG2 GLN A 858 0.727 -0.903 13.151 1.00 0.00 H new ATOM 0 HG3 GLN A 858 -0.867 -1.451 12.669 1.00 0.00 H new ATOM 0 HE21 GLN A 858 -2.164 -2.083 14.275 1.00 0.00 H new ATOM 0 HE22 GLN A 858 -1.630 -2.726 15.832 1.00 0.00 H new ATOM 1278 N LEU A 859 3.015 -4.294 10.655 1.00 0.00 N ATOM 1279 CA LEU A 859 4.101 -5.263 10.585 1.00 0.00 C ATOM 1280 C LEU A 859 5.378 -4.593 10.092 1.00 0.00 C ATOM 1281 O LEU A 859 6.445 -4.767 10.677 1.00 0.00 O ATOM 1282 CB LEU A 859 3.729 -6.421 9.656 1.00 0.00 C ATOM 1283 CG LEU A 859 2.618 -7.342 10.168 1.00 0.00 C ATOM 1284 CD1 LEU A 859 2.322 -8.430 9.149 1.00 0.00 C ATOM 1285 CD2 LEU A 859 3.002 -7.954 11.506 1.00 0.00 C ATOM 0 H LEU A 859 2.226 -4.502 10.043 1.00 0.00 H new ATOM 0 HA LEU A 859 4.272 -5.658 11.586 1.00 0.00 H new ATOM 0 HB2 LEU A 859 3.422 -6.009 8.695 1.00 0.00 H new ATOM 0 HB3 LEU A 859 4.621 -7.021 9.476 1.00 0.00 H new ATOM 0 HG LEU A 859 1.716 -6.747 10.312 1.00 0.00 H new ATOM 0 HD11 LEU A 859 1.530 -9.077 9.527 1.00 0.00 H new ATOM 0 HD12 LEU A 859 2.002 -7.974 8.212 1.00 0.00 H new ATOM 0 HD13 LEU A 859 3.221 -9.021 8.976 1.00 0.00 H new ATOM 0 HD21 LEU A 859 2.199 -8.605 11.852 1.00 0.00 H new ATOM 0 HD22 LEU A 859 3.917 -8.536 11.391 1.00 0.00 H new ATOM 0 HD23 LEU A 859 3.166 -7.161 12.235 1.00 0.00 H new ATOM 1297 N CYS A 860 5.252 -3.807 9.026 1.00 0.00 N ATOM 1298 CA CYS A 860 6.388 -3.079 8.464 1.00 0.00 C ATOM 1299 C CYS A 860 6.957 -2.087 9.480 1.00 0.00 C ATOM 1300 O CYS A 860 8.168 -1.874 9.545 1.00 0.00 O ATOM 1301 CB CYS A 860 5.967 -2.346 7.190 1.00 0.00 C ATOM 1302 SG CYS A 860 5.121 -3.396 5.985 1.00 0.00 S ATOM 0 H CYS A 860 4.372 -3.657 8.532 1.00 0.00 H new ATOM 0 HA CYS A 860 7.167 -3.800 8.217 1.00 0.00 H new ATOM 0 HB2 CYS A 860 5.311 -1.518 7.459 1.00 0.00 H new ATOM 0 HB3 CYS A 860 6.852 -1.913 6.722 1.00 0.00 H new ATOM 0 HG CYS A 860 4.036 -3.877 6.515 1.00 0.00 H new ATOM 1308 N GLU A 861 6.075 -1.491 10.275 1.00 0.00 N ATOM 1309 CA GLU A 861 6.487 -0.569 11.327 1.00 0.00 C ATOM 1310 C GLU A 861 7.360 -1.285 12.350 1.00 0.00 C ATOM 1311 O GLU A 861 8.438 -0.808 12.712 1.00 0.00 O ATOM 1312 CB GLU A 861 5.262 0.028 12.024 1.00 0.00 C ATOM 1313 CG GLU A 861 4.563 1.104 11.214 1.00 0.00 C ATOM 1314 CD GLU A 861 5.117 2.484 11.477 1.00 0.00 C ATOM 1315 OE1 GLU A 861 6.356 2.625 11.592 1.00 0.00 O ATOM 1316 OE2 GLU A 861 4.321 3.436 11.562 1.00 0.00 O ATOM 0 H GLU A 861 5.067 -1.631 10.210 1.00 0.00 H new ATOM 0 HA GLU A 861 7.063 0.235 10.869 1.00 0.00 H new ATOM 0 HB2 GLU A 861 4.552 -0.771 12.239 1.00 0.00 H new ATOM 0 HB3 GLU A 861 5.569 0.448 12.982 1.00 0.00 H new ATOM 0 HG2 GLU A 861 4.660 0.874 10.153 1.00 0.00 H new ATOM 0 HG3 GLU A 861 3.498 1.094 11.447 1.00 0.00 H new ATOM 1323 N THR A 862 6.891 -2.437 12.803 1.00 0.00 N ATOM 1324 CA THR A 862 7.627 -3.235 13.765 1.00 0.00 C ATOM 1325 C THR A 862 8.890 -3.822 13.136 1.00 0.00 C ATOM 1326 O THR A 862 9.895 -4.023 13.818 1.00 0.00 O ATOM 1327 CB THR A 862 6.742 -4.356 14.339 1.00 0.00 C ATOM 1328 OG1 THR A 862 5.426 -3.840 14.593 1.00 0.00 O ATOM 1329 CG2 THR A 862 7.333 -4.909 15.629 1.00 0.00 C ATOM 0 H THR A 862 5.999 -2.840 12.517 1.00 0.00 H new ATOM 0 HA THR A 862 7.925 -2.580 14.583 1.00 0.00 H new ATOM 0 HB THR A 862 6.690 -5.166 13.611 1.00 0.00 H new ATOM 0 HG1 THR A 862 4.947 -3.734 13.745 1.00 0.00 H new ATOM 0 HG21 THR A 862 6.689 -5.700 16.015 1.00 0.00 H new ATOM 0 HG22 THR A 862 8.325 -5.314 15.430 1.00 0.00 H new ATOM 0 HG23 THR A 862 7.408 -4.110 16.367 1.00 0.00 H new ATOM 1337 N LEU A 863 8.838 -4.079 11.832 1.00 0.00 N ATOM 1338 CA LEU A 863 10.016 -4.516 11.089 1.00 0.00 C ATOM 1339 C LEU A 863 11.099 -3.447 11.164 1.00 0.00 C ATOM 1340 O LEU A 863 12.248 -3.744 11.485 1.00 0.00 O ATOM 1341 CB LEU A 863 9.664 -4.798 9.625 1.00 0.00 C ATOM 1342 CG LEU A 863 10.200 -6.117 9.049 1.00 0.00 C ATOM 1343 CD1 LEU A 863 10.455 -5.977 7.556 1.00 0.00 C ATOM 1344 CD2 LEU A 863 11.468 -6.557 9.773 1.00 0.00 C ATOM 0 H LEU A 863 7.993 -3.992 11.268 1.00 0.00 H new ATOM 0 HA LEU A 863 10.384 -5.439 11.538 1.00 0.00 H new ATOM 0 HB2 LEU A 863 8.579 -4.795 9.525 1.00 0.00 H new ATOM 0 HB3 LEU A 863 10.043 -3.977 9.016 1.00 0.00 H new ATOM 0 HG LEU A 863 9.444 -6.887 9.202 1.00 0.00 H new ATOM 0 HD11 LEU A 863 10.835 -6.920 7.162 1.00 0.00 H new ATOM 0 HD12 LEU A 863 9.524 -5.721 7.050 1.00 0.00 H new ATOM 0 HD13 LEU A 863 11.189 -5.190 7.385 1.00 0.00 H new ATOM 0 HD21 LEU A 863 11.825 -7.493 9.345 1.00 0.00 H new ATOM 0 HD22 LEU A 863 12.235 -5.791 9.661 1.00 0.00 H new ATOM 0 HD23 LEU A 863 11.251 -6.702 10.831 1.00 0.00 H new ATOM 1356 N GLU A 864 10.716 -2.205 10.889 1.00 0.00 N ATOM 1357 CA GLU A 864 11.635 -1.075 10.995 1.00 0.00 C ATOM 1358 C GLU A 864 12.185 -0.968 12.415 1.00 0.00 C ATOM 1359 O GLU A 864 13.355 -0.652 12.619 1.00 0.00 O ATOM 1360 CB GLU A 864 10.925 0.223 10.606 1.00 0.00 C ATOM 1361 CG GLU A 864 10.984 0.524 9.118 1.00 0.00 C ATOM 1362 CD GLU A 864 10.413 1.882 8.772 1.00 0.00 C ATOM 1363 OE1 GLU A 864 10.563 2.821 9.577 1.00 0.00 O ATOM 1364 OE2 GLU A 864 9.805 2.027 7.697 1.00 0.00 O ATOM 0 H GLU A 864 9.774 -1.954 10.590 1.00 0.00 H new ATOM 0 HA GLU A 864 12.467 -1.239 10.310 1.00 0.00 H new ATOM 0 HB2 GLU A 864 9.882 0.164 10.915 1.00 0.00 H new ATOM 0 HB3 GLU A 864 11.374 1.051 11.154 1.00 0.00 H new ATOM 0 HG2 GLU A 864 12.020 0.474 8.783 1.00 0.00 H new ATOM 0 HG3 GLU A 864 10.436 -0.245 8.574 1.00 0.00 H new ATOM 1371 N HIS A 865 11.330 -1.253 13.389 1.00 0.00 N ATOM 1372 CA HIS A 865 11.725 -1.259 14.794 1.00 0.00 C ATOM 1373 C HIS A 865 12.751 -2.365 15.054 1.00 0.00 C ATOM 1374 O HIS A 865 13.666 -2.192 15.849 1.00 0.00 O ATOM 1375 CB HIS A 865 10.469 -1.424 15.685 1.00 0.00 C ATOM 1376 CG HIS A 865 10.659 -2.247 16.936 1.00 0.00 C ATOM 1377 ND1 HIS A 865 10.686 -3.592 17.122 1.00 0.00 N flip ATOM 1378 CD2 HIS A 865 10.847 -1.691 18.181 1.00 0.00 C flip ATOM 1379 CE1 HIS A 865 10.890 -3.815 18.458 1.00 0.00 C flip ATOM 1380 NE2 HIS A 865 10.988 -2.653 19.075 1.00 0.00 N flip ATOM 0 H HIS A 865 10.350 -1.485 13.230 1.00 0.00 H new ATOM 0 HA HIS A 865 12.198 -0.310 15.044 1.00 0.00 H new ATOM 0 HB2 HIS A 865 10.118 -0.433 15.974 1.00 0.00 H new ATOM 0 HB3 HIS A 865 9.680 -1.881 15.088 1.00 0.00 H new ATOM 0 HD2 HIS A 865 10.875 -0.633 18.394 1.00 0.00 H new ATOM 0 HE1 HIS A 865 10.959 -4.784 18.929 1.00 0.00 H new ATOM 0 HE2 HIS A 865 11.146 -2.520 20.074 1.00 0.00 H new ATOM 1389 N LEU A 866 12.593 -3.500 14.388 1.00 0.00 N ATOM 1390 CA LEU A 866 13.530 -4.606 14.545 1.00 0.00 C ATOM 1391 C LEU A 866 14.848 -4.279 13.858 1.00 0.00 C ATOM 1392 O LEU A 866 15.918 -4.639 14.343 1.00 0.00 O ATOM 1393 CB LEU A 866 12.939 -5.897 13.976 1.00 0.00 C ATOM 1394 CG LEU A 866 11.964 -6.621 14.903 1.00 0.00 C ATOM 1395 CD1 LEU A 866 10.868 -7.300 14.099 1.00 0.00 C ATOM 1396 CD2 LEU A 866 12.703 -7.635 15.766 1.00 0.00 C ATOM 0 H LEU A 866 11.829 -3.680 13.737 1.00 0.00 H new ATOM 0 HA LEU A 866 13.716 -4.754 15.609 1.00 0.00 H new ATOM 0 HB2 LEU A 866 12.426 -5.664 13.043 1.00 0.00 H new ATOM 0 HB3 LEU A 866 13.756 -6.576 13.730 1.00 0.00 H new ATOM 0 HG LEU A 866 11.500 -5.884 15.559 1.00 0.00 H new ATOM 0 HD11 LEU A 866 10.183 -7.810 14.776 1.00 0.00 H new ATOM 0 HD12 LEU A 866 10.321 -6.552 13.525 1.00 0.00 H new ATOM 0 HD13 LEU A 866 11.313 -8.025 13.418 1.00 0.00 H new ATOM 0 HD21 LEU A 866 11.994 -8.142 16.420 1.00 0.00 H new ATOM 0 HD22 LEU A 866 13.194 -8.368 15.126 1.00 0.00 H new ATOM 0 HD23 LEU A 866 13.451 -7.122 16.370 1.00 0.00 H new ATOM 1408 N ILE A 867 14.760 -3.585 12.730 1.00 0.00 N ATOM 1409 CA ILE A 867 15.944 -3.120 12.021 1.00 0.00 C ATOM 1410 C ILE A 867 16.687 -2.082 12.860 1.00 0.00 C ATOM 1411 O ILE A 867 17.912 -2.123 12.975 1.00 0.00 O ATOM 1412 CB ILE A 867 15.576 -2.513 10.645 1.00 0.00 C ATOM 1413 CG1 ILE A 867 14.950 -3.580 9.744 1.00 0.00 C ATOM 1414 CG2 ILE A 867 16.804 -1.911 9.973 1.00 0.00 C ATOM 1415 CD1 ILE A 867 14.012 -3.015 8.700 1.00 0.00 C ATOM 0 H ILE A 867 13.877 -3.331 12.286 1.00 0.00 H new ATOM 0 HA ILE A 867 16.590 -3.981 11.852 1.00 0.00 H new ATOM 0 HB ILE A 867 14.849 -1.717 10.807 1.00 0.00 H new ATOM 0 HG12 ILE A 867 15.745 -4.134 9.245 1.00 0.00 H new ATOM 0 HG13 ILE A 867 14.405 -4.292 10.363 1.00 0.00 H new ATOM 0 HG21 ILE A 867 16.521 -1.491 9.008 1.00 0.00 H new ATOM 0 HG22 ILE A 867 17.216 -1.124 10.605 1.00 0.00 H new ATOM 0 HG23 ILE A 867 17.555 -2.687 9.825 1.00 0.00 H new ATOM 0 HD11 ILE A 867 13.606 -3.828 8.098 1.00 0.00 H new ATOM 0 HD12 ILE A 867 13.197 -2.485 9.192 1.00 0.00 H new ATOM 0 HD13 ILE A 867 14.557 -2.325 8.057 1.00 0.00 H new ATOM 1427 N ARG A 868 15.930 -1.166 13.459 1.00 0.00 N ATOM 1428 CA ARG A 868 16.497 -0.144 14.333 1.00 0.00 C ATOM 1429 C ARG A 868 17.090 -0.785 15.592 1.00 0.00 C ATOM 1430 O ARG A 868 18.042 -0.271 16.182 1.00 0.00 O ATOM 1431 CB ARG A 868 15.424 0.902 14.692 1.00 0.00 C ATOM 1432 CG ARG A 868 14.631 0.602 15.946 1.00 0.00 C ATOM 1433 CD ARG A 868 14.818 1.686 16.980 1.00 0.00 C ATOM 1434 NE ARG A 868 13.792 2.723 16.900 1.00 0.00 N ATOM 1435 CZ ARG A 868 13.990 3.986 17.269 1.00 0.00 C ATOM 1436 NH1 ARG A 868 15.179 4.369 17.717 1.00 0.00 N ATOM 1437 NH2 ARG A 868 12.999 4.867 17.188 1.00 0.00 N ATOM 0 H ARG A 868 14.917 -1.111 13.354 1.00 0.00 H new ATOM 0 HA ARG A 868 17.304 0.365 13.806 1.00 0.00 H new ATOM 0 HB2 ARG A 868 15.908 1.871 14.810 1.00 0.00 H new ATOM 0 HB3 ARG A 868 14.731 0.992 13.855 1.00 0.00 H new ATOM 0 HG2 ARG A 868 13.574 0.510 15.698 1.00 0.00 H new ATOM 0 HG3 ARG A 868 14.946 -0.357 16.359 1.00 0.00 H new ATOM 0 HD2 ARG A 868 14.802 1.241 17.975 1.00 0.00 H new ATOM 0 HD3 ARG A 868 15.800 2.141 16.850 1.00 0.00 H new ATOM 0 HE ARG A 868 12.873 2.464 16.541 1.00 0.00 H new ATOM 0 HH11 ARG A 868 15.942 3.695 17.779 1.00 0.00 H new ATOM 0 HH12 ARG A 868 15.330 5.337 18.000 1.00 0.00 H new ATOM 0 HH21 ARG A 868 12.085 4.576 16.843 1.00 0.00 H new ATOM 0 HH22 ARG A 868 13.153 5.835 17.471 1.00 0.00 H new ATOM 1451 N GLU A 869 16.516 -1.916 15.985 1.00 0.00 N ATOM 1452 CA GLU A 869 16.964 -2.661 17.141 1.00 0.00 C ATOM 1453 C GLU A 869 18.144 -3.567 16.788 1.00 0.00 C ATOM 1454 O GLU A 869 18.854 -4.052 17.671 1.00 0.00 O ATOM 1455 CB GLU A 869 15.796 -3.489 17.661 1.00 0.00 C ATOM 1456 CG GLU A 869 15.890 -3.811 19.127 1.00 0.00 C ATOM 1457 CD GLU A 869 14.540 -4.076 19.759 1.00 0.00 C ATOM 1458 OE1 GLU A 869 13.939 -5.127 19.465 1.00 0.00 O ATOM 1459 OE2 GLU A 869 14.079 -3.237 20.562 1.00 0.00 O ATOM 0 H GLU A 869 15.723 -2.339 15.504 1.00 0.00 H new ATOM 0 HA GLU A 869 17.304 -1.968 17.910 1.00 0.00 H new ATOM 0 HB2 GLU A 869 14.868 -2.949 17.475 1.00 0.00 H new ATOM 0 HB3 GLU A 869 15.742 -4.420 17.096 1.00 0.00 H new ATOM 0 HG2 GLU A 869 16.527 -4.685 19.262 1.00 0.00 H new ATOM 0 HG3 GLU A 869 16.372 -2.982 19.646 1.00 0.00 H new ATOM 1466 N LYS A 870 18.344 -3.772 15.489 1.00 0.00 N ATOM 1467 CA LYS A 870 19.378 -4.658 14.970 1.00 0.00 C ATOM 1468 C LYS A 870 19.169 -6.096 15.434 1.00 0.00 C ATOM 1469 O LYS A 870 20.126 -6.844 15.635 1.00 0.00 O ATOM 1470 CB LYS A 870 20.771 -4.162 15.357 1.00 0.00 C ATOM 1471 CG LYS A 870 21.669 -3.926 14.156 1.00 0.00 C ATOM 1472 CD LYS A 870 22.321 -2.556 14.204 1.00 0.00 C ATOM 1473 CE LYS A 870 21.667 -1.593 13.227 1.00 0.00 C ATOM 1474 NZ LYS A 870 22.538 -0.425 12.932 1.00 0.00 N ATOM 0 H LYS A 870 17.787 -3.323 14.762 1.00 0.00 H new ATOM 0 HA LYS A 870 19.301 -4.646 13.883 1.00 0.00 H new ATOM 0 HB2 LYS A 870 20.677 -3.234 15.922 1.00 0.00 H new ATOM 0 HB3 LYS A 870 21.240 -4.891 16.017 1.00 0.00 H new ATOM 0 HG2 LYS A 870 22.440 -4.695 14.121 1.00 0.00 H new ATOM 0 HG3 LYS A 870 21.085 -4.019 13.241 1.00 0.00 H new ATOM 0 HD2 LYS A 870 22.251 -2.154 15.215 1.00 0.00 H new ATOM 0 HD3 LYS A 870 23.382 -2.648 13.970 1.00 0.00 H new ATOM 0 HE2 LYS A 870 21.437 -2.117 12.300 1.00 0.00 H new ATOM 0 HE3 LYS A 870 20.720 -1.245 13.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 870 22.056 0.207 12.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 870 22.737 0.091 13.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 870 23.432 -0.755 12.514 1.00 0.00 H new ATOM 1488 N ASP A 871 17.910 -6.482 15.584 1.00 0.00 N ATOM 1489 CA ASP A 871 17.572 -7.850 15.944 1.00 0.00 C ATOM 1490 C ASP A 871 17.453 -8.685 14.678 1.00 0.00 C ATOM 1491 O ASP A 871 16.356 -8.889 14.157 1.00 0.00 O ATOM 1492 CB ASP A 871 16.265 -7.903 16.736 1.00 0.00 C ATOM 1493 CG ASP A 871 16.079 -9.227 17.454 1.00 0.00 C ATOM 1494 OD1 ASP A 871 15.718 -10.223 16.797 1.00 0.00 O ATOM 1495 OD2 ASP A 871 16.287 -9.278 18.686 1.00 0.00 O ATOM 0 H ASP A 871 17.106 -5.866 15.462 1.00 0.00 H new ATOM 0 HA ASP A 871 18.362 -8.253 16.578 1.00 0.00 H new ATOM 0 HB2 ASP A 871 16.251 -7.092 17.464 1.00 0.00 H new ATOM 0 HB3 ASP A 871 15.426 -7.738 16.060 1.00 0.00 H new ATOM 1500 N VAL A 872 18.598 -9.144 14.184 1.00 0.00 N ATOM 1501 CA VAL A 872 18.675 -9.878 12.922 1.00 0.00 C ATOM 1502 C VAL A 872 17.663 -11.029 12.844 1.00 0.00 C ATOM 1503 O VAL A 872 16.865 -11.067 11.909 1.00 0.00 O ATOM 1504 CB VAL A 872 20.099 -10.416 12.667 1.00 0.00 C ATOM 1505 CG1 VAL A 872 20.125 -11.339 11.459 1.00 0.00 C ATOM 1506 CG2 VAL A 872 21.074 -9.262 12.479 1.00 0.00 C ATOM 0 H VAL A 872 19.499 -9.019 14.645 1.00 0.00 H new ATOM 0 HA VAL A 872 18.421 -9.160 12.143 1.00 0.00 H new ATOM 0 HB VAL A 872 20.406 -10.994 13.538 1.00 0.00 H new ATOM 0 HG11 VAL A 872 21.140 -11.704 11.302 1.00 0.00 H new ATOM 0 HG12 VAL A 872 19.458 -12.184 11.632 1.00 0.00 H new ATOM 0 HG13 VAL A 872 19.795 -10.792 10.576 1.00 0.00 H new ATOM 0 HG21 VAL A 872 22.074 -9.656 12.300 1.00 0.00 H new ATOM 0 HG22 VAL A 872 20.764 -8.659 11.626 1.00 0.00 H new ATOM 0 HG23 VAL A 872 21.083 -8.643 13.376 1.00 0.00 H new ATOM 1516 N PRO A 873 17.663 -11.976 13.813 1.00 0.00 N ATOM 1517 CA PRO A 873 16.724 -13.106 13.803 1.00 0.00 C ATOM 1518 C PRO A 873 15.270 -12.655 13.700 1.00 0.00 C ATOM 1519 O PRO A 873 14.483 -13.223 12.936 1.00 0.00 O ATOM 1520 CB PRO A 873 16.975 -13.816 15.142 1.00 0.00 C ATOM 1521 CG PRO A 873 17.764 -12.852 15.962 1.00 0.00 C ATOM 1522 CD PRO A 873 18.556 -12.036 14.985 1.00 0.00 C ATOM 0 HA PRO A 873 16.885 -13.749 12.938 1.00 0.00 H new ATOM 0 HB2 PRO A 873 16.036 -14.072 15.633 1.00 0.00 H new ATOM 0 HB3 PRO A 873 17.522 -14.747 14.996 1.00 0.00 H new ATOM 0 HG2 PRO A 873 17.108 -12.219 16.559 1.00 0.00 H new ATOM 0 HG3 PRO A 873 18.421 -13.376 16.657 1.00 0.00 H new ATOM 0 HD2 PRO A 873 18.780 -11.043 15.375 1.00 0.00 H new ATOM 0 HD3 PRO A 873 19.509 -12.506 14.744 1.00 0.00 H new ATOM 1530 N GLY A 874 14.921 -11.621 14.458 1.00 0.00 N ATOM 1531 CA GLY A 874 13.575 -11.092 14.422 1.00 0.00 C ATOM 1532 C GLY A 874 13.248 -10.443 13.095 1.00 0.00 C ATOM 1533 O GLY A 874 12.106 -10.503 12.638 1.00 0.00 O ATOM 0 H GLY A 874 15.552 -11.139 15.099 1.00 0.00 H new ATOM 0 HA2 GLY A 874 12.866 -11.897 14.615 1.00 0.00 H new ATOM 0 HA3 GLY A 874 13.453 -10.361 15.221 1.00 0.00 H new ATOM 1537 N ILE A 875 14.250 -9.822 12.479 1.00 0.00 N ATOM 1538 CA ILE A 875 14.078 -9.187 11.180 1.00 0.00 C ATOM 1539 C ILE A 875 13.683 -10.219 10.123 1.00 0.00 C ATOM 1540 O ILE A 875 12.638 -10.087 9.488 1.00 0.00 O ATOM 1541 CB ILE A 875 15.361 -8.443 10.726 1.00 0.00 C ATOM 1542 CG1 ILE A 875 15.609 -7.218 11.608 1.00 0.00 C ATOM 1543 CG2 ILE A 875 15.263 -8.021 9.263 1.00 0.00 C ATOM 1544 CD1 ILE A 875 17.030 -6.698 11.541 1.00 0.00 C ATOM 0 H ILE A 875 15.192 -9.746 12.862 1.00 0.00 H new ATOM 0 HA ILE A 875 13.279 -8.453 11.287 1.00 0.00 H new ATOM 0 HB ILE A 875 16.200 -9.131 10.829 1.00 0.00 H new ATOM 0 HG12 ILE A 875 14.926 -6.423 11.310 1.00 0.00 H new ATOM 0 HG13 ILE A 875 15.372 -7.471 12.641 1.00 0.00 H new ATOM 0 HG21 ILE A 875 16.176 -7.502 8.972 1.00 0.00 H new ATOM 0 HG22 ILE A 875 15.133 -8.904 8.638 1.00 0.00 H new ATOM 0 HG23 ILE A 875 14.410 -7.355 9.133 1.00 0.00 H new ATOM 0 HD11 ILE A 875 17.131 -5.829 12.192 1.00 0.00 H new ATOM 0 HD12 ILE A 875 17.718 -7.478 11.867 1.00 0.00 H new ATOM 0 HD13 ILE A 875 17.265 -6.412 10.516 1.00 0.00 H new ATOM 1556 N GLU A 876 14.505 -11.257 9.957 1.00 0.00 N ATOM 1557 CA GLU A 876 14.241 -12.277 8.944 1.00 0.00 C ATOM 1558 C GLU A 876 12.908 -12.971 9.208 1.00 0.00 C ATOM 1559 O GLU A 876 12.145 -13.244 8.276 1.00 0.00 O ATOM 1560 CB GLU A 876 15.371 -13.315 8.876 1.00 0.00 C ATOM 1561 CG GLU A 876 16.190 -13.430 10.148 1.00 0.00 C ATOM 1562 CD GLU A 876 17.547 -14.065 9.919 1.00 0.00 C ATOM 1563 OE1 GLU A 876 18.340 -13.522 9.125 1.00 0.00 O ATOM 1564 OE2 GLU A 876 17.826 -15.114 10.538 1.00 0.00 O ATOM 0 H GLU A 876 15.351 -11.412 10.506 1.00 0.00 H new ATOM 0 HA GLU A 876 14.191 -11.770 7.981 1.00 0.00 H new ATOM 0 HB2 GLU A 876 14.940 -14.289 8.646 1.00 0.00 H new ATOM 0 HB3 GLU A 876 16.036 -13.058 8.052 1.00 0.00 H new ATOM 0 HG2 GLU A 876 16.326 -12.438 10.577 1.00 0.00 H new ATOM 0 HG3 GLU A 876 15.637 -14.020 10.879 1.00 0.00 H new ATOM 1571 N LYS A 877 12.622 -13.234 10.482 1.00 0.00 N ATOM 1572 CA LYS A 877 11.368 -13.869 10.874 1.00 0.00 C ATOM 1573 C LYS A 877 10.178 -12.973 10.542 1.00 0.00 C ATOM 1574 O LYS A 877 9.143 -13.447 10.078 1.00 0.00 O ATOM 1575 CB LYS A 877 11.374 -14.197 12.368 1.00 0.00 C ATOM 1576 CG LYS A 877 10.111 -14.899 12.849 1.00 0.00 C ATOM 1577 CD LYS A 877 10.010 -16.315 12.302 1.00 0.00 C ATOM 1578 CE LYS A 877 8.802 -16.479 11.393 1.00 0.00 C ATOM 1579 NZ LYS A 877 7.521 -16.373 12.142 1.00 0.00 N ATOM 0 H LYS A 877 13.244 -13.016 11.261 1.00 0.00 H new ATOM 0 HA LYS A 877 11.272 -14.797 10.310 1.00 0.00 H new ATOM 0 HB2 LYS A 877 12.235 -14.828 12.588 1.00 0.00 H new ATOM 0 HB3 LYS A 877 11.502 -13.273 12.933 1.00 0.00 H new ATOM 0 HG2 LYS A 877 10.104 -14.929 13.939 1.00 0.00 H new ATOM 0 HG3 LYS A 877 9.236 -14.326 12.540 1.00 0.00 H new ATOM 0 HD2 LYS A 877 10.918 -16.558 11.749 1.00 0.00 H new ATOM 0 HD3 LYS A 877 9.942 -17.021 13.129 1.00 0.00 H new ATOM 0 HE2 LYS A 877 8.830 -15.718 10.613 1.00 0.00 H new ATOM 0 HE3 LYS A 877 8.852 -17.448 10.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 877 6.772 -16.036 11.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 877 7.261 -17.307 12.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 877 7.633 -15.702 12.929 1.00 0.00 H new ATOM 1593 N TYR A 878 10.326 -11.676 10.770 1.00 0.00 N ATOM 1594 CA TYR A 878 9.249 -10.739 10.493 1.00 0.00 C ATOM 1595 C TYR A 878 9.034 -10.590 8.993 1.00 0.00 C ATOM 1596 O TYR A 878 7.908 -10.393 8.540 1.00 0.00 O ATOM 1597 CB TYR A 878 9.527 -9.380 11.127 1.00 0.00 C ATOM 1598 CG TYR A 878 8.424 -8.928 12.053 1.00 0.00 C ATOM 1599 CD1 TYR A 878 8.174 -9.604 13.240 1.00 0.00 C ATOM 1600 CD2 TYR A 878 7.631 -7.833 11.738 1.00 0.00 C ATOM 1601 CE1 TYR A 878 7.163 -9.201 14.089 1.00 0.00 C ATOM 1602 CE2 TYR A 878 6.616 -7.425 12.582 1.00 0.00 C ATOM 1603 CZ TYR A 878 6.387 -8.111 13.756 1.00 0.00 C ATOM 1604 OH TYR A 878 5.378 -7.709 14.599 1.00 0.00 O ATOM 0 H TYR A 878 11.175 -11.252 11.143 1.00 0.00 H new ATOM 0 HA TYR A 878 8.337 -11.141 10.935 1.00 0.00 H new ATOM 0 HB2 TYR A 878 10.464 -9.428 11.682 1.00 0.00 H new ATOM 0 HB3 TYR A 878 9.661 -8.638 10.340 1.00 0.00 H new ATOM 0 HD1 TYR A 878 8.780 -10.458 13.503 1.00 0.00 H new ATOM 0 HD2 TYR A 878 7.810 -7.292 10.820 1.00 0.00 H new ATOM 0 HE1 TYR A 878 6.981 -9.736 15.009 1.00 0.00 H new ATOM 0 HE2 TYR A 878 6.005 -6.573 12.323 1.00 0.00 H new ATOM 0 HH TYR A 878 4.927 -6.926 14.220 1.00 0.00 H new ATOM 1614 N ILE A 879 10.110 -10.697 8.222 1.00 0.00 N ATOM 1615 CA ILE A 879 10.000 -10.663 6.769 1.00 0.00 C ATOM 1616 C ILE A 879 9.191 -11.861 6.276 1.00 0.00 C ATOM 1617 O ILE A 879 8.354 -11.731 5.385 1.00 0.00 O ATOM 1618 CB ILE A 879 11.381 -10.648 6.068 1.00 0.00 C ATOM 1619 CG1 ILE A 879 12.214 -9.457 6.544 1.00 0.00 C ATOM 1620 CG2 ILE A 879 11.212 -10.596 4.553 1.00 0.00 C ATOM 1621 CD1 ILE A 879 13.671 -9.536 6.141 1.00 0.00 C ATOM 0 H ILE A 879 11.061 -10.807 8.575 1.00 0.00 H new ATOM 0 HA ILE A 879 9.491 -9.734 6.511 1.00 0.00 H new ATOM 0 HB ILE A 879 11.905 -11.567 6.331 1.00 0.00 H new ATOM 0 HG12 ILE A 879 11.784 -8.540 6.142 1.00 0.00 H new ATOM 0 HG13 ILE A 879 12.149 -9.390 7.630 1.00 0.00 H new ATOM 0 HG21 ILE A 879 12.193 -10.586 4.078 1.00 0.00 H new ATOM 0 HG22 ILE A 879 10.656 -11.472 4.219 1.00 0.00 H new ATOM 0 HG23 ILE A 879 10.667 -9.693 4.279 1.00 0.00 H new ATOM 0 HD11 ILE A 879 14.199 -8.658 6.513 1.00 0.00 H new ATOM 0 HD12 ILE A 879 14.118 -10.435 6.565 1.00 0.00 H new ATOM 0 HD13 ILE A 879 13.746 -9.572 5.054 1.00 0.00 H new ATOM 1633 N SER A 880 9.425 -13.027 6.875 1.00 0.00 N ATOM 1634 CA SER A 880 8.669 -14.219 6.515 1.00 0.00 C ATOM 1635 C SER A 880 7.225 -14.103 7.003 1.00 0.00 C ATOM 1636 O SER A 880 6.308 -14.624 6.376 1.00 0.00 O ATOM 1637 CB SER A 880 9.326 -15.475 7.091 1.00 0.00 C ATOM 1638 OG SER A 880 10.282 -15.150 8.081 1.00 0.00 O ATOM 0 H SER A 880 10.125 -13.169 7.604 1.00 0.00 H new ATOM 0 HA SER A 880 8.665 -14.303 5.428 1.00 0.00 H new ATOM 0 HB2 SER A 880 8.562 -16.123 7.520 1.00 0.00 H new ATOM 0 HB3 SER A 880 9.806 -16.036 6.290 1.00 0.00 H new ATOM 0 HG SER A 880 9.845 -14.660 8.809 1.00 0.00 H new ATOM 1644 N ASP A 881 7.032 -13.405 8.119 1.00 0.00 N ATOM 1645 CA ASP A 881 5.696 -13.176 8.673 1.00 0.00 C ATOM 1646 C ASP A 881 4.907 -12.224 7.779 1.00 0.00 C ATOM 1647 O ASP A 881 3.715 -12.410 7.546 1.00 0.00 O ATOM 1648 CB ASP A 881 5.791 -12.605 10.092 1.00 0.00 C ATOM 1649 CG ASP A 881 6.000 -13.677 11.146 1.00 0.00 C ATOM 1650 OD1 ASP A 881 5.777 -14.870 10.847 1.00 0.00 O ATOM 1651 OD2 ASP A 881 6.391 -13.331 12.283 1.00 0.00 O ATOM 0 H ASP A 881 7.787 -12.985 8.662 1.00 0.00 H new ATOM 0 HA ASP A 881 5.175 -14.133 8.717 1.00 0.00 H new ATOM 0 HB2 ASP A 881 6.614 -11.892 10.137 1.00 0.00 H new ATOM 0 HB3 ASP A 881 4.879 -12.053 10.318 1.00 0.00 H new ATOM 1656 N ILE A 882 5.584 -11.201 7.280 1.00 0.00 N ATOM 1657 CA ILE A 882 4.980 -10.283 6.325 1.00 0.00 C ATOM 1658 C ILE A 882 4.690 -11.014 5.016 1.00 0.00 C ATOM 1659 O ILE A 882 3.692 -10.747 4.344 1.00 0.00 O ATOM 1660 CB ILE A 882 5.888 -9.058 6.060 1.00 0.00 C ATOM 1661 CG1 ILE A 882 5.976 -8.185 7.315 1.00 0.00 C ATOM 1662 CG2 ILE A 882 5.376 -8.238 4.881 1.00 0.00 C ATOM 1663 CD1 ILE A 882 6.940 -7.024 7.186 1.00 0.00 C ATOM 0 H ILE A 882 6.552 -10.985 7.520 1.00 0.00 H new ATOM 0 HA ILE A 882 4.047 -9.918 6.753 1.00 0.00 H new ATOM 0 HB ILE A 882 6.884 -9.422 5.810 1.00 0.00 H new ATOM 0 HG12 ILE A 882 4.984 -7.797 7.547 1.00 0.00 H new ATOM 0 HG13 ILE A 882 6.280 -8.806 8.158 1.00 0.00 H new ATOM 0 HG21 ILE A 882 6.034 -7.384 4.719 1.00 0.00 H new ATOM 0 HG22 ILE A 882 5.360 -8.859 3.985 1.00 0.00 H new ATOM 0 HG23 ILE A 882 4.368 -7.884 5.095 1.00 0.00 H new ATOM 0 HD11 ILE A 882 6.947 -6.452 8.114 1.00 0.00 H new ATOM 0 HD12 ILE A 882 7.942 -7.404 6.986 1.00 0.00 H new ATOM 0 HD13 ILE A 882 6.625 -6.379 6.365 1.00 0.00 H new ATOM 1675 N ASP A 883 5.551 -11.967 4.681 1.00 0.00 N ATOM 1676 CA ASP A 883 5.421 -12.708 3.439 1.00 0.00 C ATOM 1677 C ASP A 883 4.270 -13.684 3.542 1.00 0.00 C ATOM 1678 O ASP A 883 3.468 -13.805 2.627 1.00 0.00 O ATOM 1679 CB ASP A 883 6.709 -13.460 3.116 1.00 0.00 C ATOM 1680 CG ASP A 883 6.522 -14.486 2.015 1.00 0.00 C ATOM 1681 OD1 ASP A 883 6.506 -14.103 0.828 1.00 0.00 O ATOM 1682 OD2 ASP A 883 6.381 -15.684 2.335 1.00 0.00 O ATOM 0 H ASP A 883 6.347 -12.243 5.255 1.00 0.00 H new ATOM 0 HA ASP A 883 5.226 -11.999 2.635 1.00 0.00 H new ATOM 0 HB2 ASP A 883 7.477 -12.747 2.817 1.00 0.00 H new ATOM 0 HB3 ASP A 883 7.070 -13.959 4.015 1.00 0.00 H new ATOM 1687 N SER A 884 4.185 -14.358 4.677 1.00 0.00 N ATOM 1688 CA SER A 884 3.108 -15.295 4.930 1.00 0.00 C ATOM 1689 C SER A 884 1.773 -14.559 4.962 1.00 0.00 C ATOM 1690 O SER A 884 0.736 -15.106 4.570 1.00 0.00 O ATOM 1691 CB SER A 884 3.363 -16.027 6.245 1.00 0.00 C ATOM 1692 OG SER A 884 3.846 -15.147 7.237 1.00 0.00 O ATOM 0 H SER A 884 4.855 -14.271 5.441 1.00 0.00 H new ATOM 0 HA SER A 884 3.069 -16.031 4.127 1.00 0.00 H new ATOM 0 HB2 SER A 884 2.440 -16.494 6.588 1.00 0.00 H new ATOM 0 HB3 SER A 884 4.085 -16.828 6.084 1.00 0.00 H new ATOM 0 HG SER A 884 4.822 -15.084 7.171 1.00 0.00 H new ATOM 1698 N TYR A 885 1.815 -13.304 5.406 1.00 0.00 N ATOM 1699 CA TYR A 885 0.645 -12.436 5.359 1.00 0.00 C ATOM 1700 C TYR A 885 0.210 -12.250 3.914 1.00 0.00 C ATOM 1701 O TYR A 885 -0.953 -12.457 3.558 1.00 0.00 O ATOM 1702 CB TYR A 885 0.968 -11.072 5.969 1.00 0.00 C ATOM 1703 CG TYR A 885 -0.130 -10.523 6.852 1.00 0.00 C ATOM 1704 CD1 TYR A 885 -0.505 -11.174 8.020 1.00 0.00 C ATOM 1705 CD2 TYR A 885 -0.794 -9.353 6.511 1.00 0.00 C ATOM 1706 CE1 TYR A 885 -1.515 -10.675 8.821 1.00 0.00 C ATOM 1707 CE2 TYR A 885 -1.804 -8.846 7.307 1.00 0.00 C ATOM 1708 CZ TYR A 885 -2.161 -9.510 8.460 1.00 0.00 C ATOM 1709 OH TYR A 885 -3.172 -9.010 9.251 1.00 0.00 O ATOM 0 H TYR A 885 2.648 -12.868 5.802 1.00 0.00 H new ATOM 0 HA TYR A 885 -0.159 -12.899 5.932 1.00 0.00 H new ATOM 0 HB2 TYR A 885 1.885 -11.154 6.553 1.00 0.00 H new ATOM 0 HB3 TYR A 885 1.164 -10.362 5.165 1.00 0.00 H new ATOM 0 HD1 TYR A 885 0.000 -12.084 8.307 1.00 0.00 H new ATOM 0 HD2 TYR A 885 -0.517 -8.829 5.608 1.00 0.00 H new ATOM 0 HE1 TYR A 885 -1.797 -11.194 9.725 1.00 0.00 H new ATOM 0 HE2 TYR A 885 -2.310 -7.934 7.027 1.00 0.00 H new ATOM 0 HH TYR A 885 -3.010 -9.259 10.185 1.00 0.00 H new ATOM 1719 N VAL A 886 1.169 -11.880 3.084 1.00 0.00 N ATOM 1720 CA VAL A 886 0.931 -11.690 1.671 1.00 0.00 C ATOM 1721 C VAL A 886 0.547 -13.019 1.012 1.00 0.00 C ATOM 1722 O VAL A 886 -0.249 -13.048 0.081 1.00 0.00 O ATOM 1723 CB VAL A 886 2.170 -11.041 0.999 1.00 0.00 C ATOM 1724 CG1 VAL A 886 2.864 -11.978 0.022 1.00 0.00 C ATOM 1725 CG2 VAL A 886 1.774 -9.751 0.305 1.00 0.00 C ATOM 0 H VAL A 886 2.131 -11.704 3.373 1.00 0.00 H new ATOM 0 HA VAL A 886 0.092 -11.007 1.536 1.00 0.00 H new ATOM 0 HB VAL A 886 2.887 -10.822 1.791 1.00 0.00 H new ATOM 0 HG11 VAL A 886 3.723 -11.473 -0.419 1.00 0.00 H new ATOM 0 HG12 VAL A 886 3.199 -12.871 0.550 1.00 0.00 H new ATOM 0 HG13 VAL A 886 2.167 -12.263 -0.766 1.00 0.00 H new ATOM 0 HG21 VAL A 886 2.652 -9.305 -0.163 1.00 0.00 H new ATOM 0 HG22 VAL A 886 1.025 -9.963 -0.458 1.00 0.00 H new ATOM 0 HG23 VAL A 886 1.360 -9.057 1.036 1.00 0.00 H new ATOM 1735 N LYS A 887 1.088 -14.119 1.534 1.00 0.00 N ATOM 1736 CA LYS A 887 0.748 -15.454 1.057 1.00 0.00 C ATOM 1737 C LYS A 887 -0.751 -15.710 1.185 1.00 0.00 C ATOM 1738 O LYS A 887 -1.384 -16.218 0.259 1.00 0.00 O ATOM 1739 CB LYS A 887 1.502 -16.527 1.852 1.00 0.00 C ATOM 1740 CG LYS A 887 2.987 -16.606 1.580 1.00 0.00 C ATOM 1741 CD LYS A 887 3.263 -17.099 0.184 1.00 0.00 C ATOM 1742 CE LYS A 887 4.653 -17.708 0.069 1.00 0.00 C ATOM 1743 NZ LYS A 887 5.716 -16.679 -0.063 1.00 0.00 N ATOM 0 H LYS A 887 1.769 -14.108 2.293 1.00 0.00 H new ATOM 0 HA LYS A 887 1.039 -15.509 0.008 1.00 0.00 H new ATOM 0 HB2 LYS A 887 1.353 -16.340 2.915 1.00 0.00 H new ATOM 0 HB3 LYS A 887 1.057 -17.498 1.634 1.00 0.00 H new ATOM 0 HG2 LYS A 887 3.436 -15.622 1.716 1.00 0.00 H new ATOM 0 HG3 LYS A 887 3.456 -17.273 2.303 1.00 0.00 H new ATOM 0 HD2 LYS A 887 2.516 -17.842 -0.094 1.00 0.00 H new ATOM 0 HD3 LYS A 887 3.168 -16.272 -0.520 1.00 0.00 H new ATOM 0 HE2 LYS A 887 4.852 -18.320 0.949 1.00 0.00 H new ATOM 0 HE3 LYS A 887 4.685 -18.372 -0.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 887 6.378 -16.958 -0.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 887 5.285 -15.764 -0.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 887 6.230 -16.594 0.837 1.00 0.00 H new ATOM 1757 N SER A 888 -1.317 -15.352 2.337 1.00 0.00 N ATOM 1758 CA SER A 888 -2.730 -15.608 2.597 1.00 0.00 C ATOM 1759 C SER A 888 -3.620 -14.536 1.969 1.00 0.00 C ATOM 1760 O SER A 888 -4.811 -14.765 1.746 1.00 0.00 O ATOM 1761 CB SER A 888 -2.991 -15.696 4.104 1.00 0.00 C ATOM 1762 OG SER A 888 -1.908 -15.166 4.852 1.00 0.00 O ATOM 0 H SER A 888 -0.822 -14.888 3.099 1.00 0.00 H new ATOM 0 HA SER A 888 -2.981 -16.564 2.137 1.00 0.00 H new ATOM 0 HB2 SER A 888 -3.904 -15.152 4.348 1.00 0.00 H new ATOM 0 HB3 SER A 888 -3.154 -16.736 4.386 1.00 0.00 H new ATOM 0 HG SER A 888 -2.106 -15.236 5.809 1.00 0.00 H new ATOM 1768 N LEU A 889 -3.052 -13.369 1.689 1.00 0.00 N ATOM 1769 CA LEU A 889 -3.815 -12.282 1.086 1.00 0.00 C ATOM 1770 C LEU A 889 -3.813 -12.371 -0.442 1.00 0.00 C ATOM 1771 O LEU A 889 -4.693 -11.816 -1.102 1.00 0.00 O ATOM 1772 CB LEU A 889 -3.265 -10.929 1.536 1.00 0.00 C ATOM 1773 CG LEU A 889 -4.136 -10.191 2.553 1.00 0.00 C ATOM 1774 CD1 LEU A 889 -3.533 -10.285 3.946 1.00 0.00 C ATOM 1775 CD2 LEU A 889 -4.316 -8.737 2.144 1.00 0.00 C ATOM 0 H LEU A 889 -2.072 -13.151 1.868 1.00 0.00 H new ATOM 0 HA LEU A 889 -4.847 -12.378 1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 889 -2.275 -11.080 1.967 1.00 0.00 H new ATOM 0 HB3 LEU A 889 -3.137 -10.294 0.659 1.00 0.00 H new ATOM 0 HG LEU A 889 -5.116 -10.667 2.574 1.00 0.00 H new ATOM 0 HD11 LEU A 889 -4.168 -9.753 4.654 1.00 0.00 H new ATOM 0 HD12 LEU A 889 -3.459 -11.332 4.240 1.00 0.00 H new ATOM 0 HD13 LEU A 889 -2.539 -9.837 3.943 1.00 0.00 H new ATOM 0 HD21 LEU A 889 -4.939 -8.227 2.879 1.00 0.00 H new ATOM 0 HD22 LEU A 889 -3.342 -8.250 2.093 1.00 0.00 H new ATOM 0 HD23 LEU A 889 -4.797 -8.691 1.167 1.00 0.00 H new ATOM 1787 N LEU A 890 -2.824 -13.063 -0.996 1.00 0.00 N ATOM 1788 CA LEU A 890 -2.738 -13.260 -2.442 1.00 0.00 C ATOM 1789 C LEU A 890 -3.774 -14.275 -2.915 1.00 0.00 C ATOM 1790 O LEU A 890 -4.439 -14.894 -2.061 1.00 0.00 O ATOM 1791 CB LEU A 890 -1.334 -13.734 -2.844 1.00 0.00 C ATOM 1792 CG LEU A 890 -0.250 -12.653 -2.883 1.00 0.00 C ATOM 1793 CD1 LEU A 890 0.905 -13.093 -3.766 1.00 0.00 C ATOM 1794 CD2 LEU A 890 -0.817 -11.333 -3.373 1.00 0.00 C ATOM 1795 OXT LEU A 890 -3.912 -14.462 -4.144 1.00 0.00 O ATOM 0 H LEU A 890 -2.069 -13.498 -0.467 1.00 0.00 H new ATOM 0 HA LEU A 890 -2.940 -12.301 -2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 890 -1.020 -14.511 -2.147 1.00 0.00 H new ATOM 0 HB3 LEU A 890 -1.396 -14.196 -3.830 1.00 0.00 H new ATOM 0 HG LEU A 890 0.121 -12.508 -1.868 1.00 0.00 H new ATOM 0 HD11 LEU A 890 1.667 -12.314 -3.783 1.00 0.00 H new ATOM 0 HD12 LEU A 890 1.335 -14.013 -3.370 1.00 0.00 H new ATOM 0 HD13 LEU A 890 0.542 -13.268 -4.779 1.00 0.00 H new ATOM 0 HD21 LEU A 890 -0.027 -10.582 -3.391 1.00 0.00 H new ATOM 0 HD22 LEU A 890 -1.220 -11.461 -4.378 1.00 0.00 H new ATOM 0 HD23 LEU A 890 -1.612 -11.007 -2.702 1.00 0.00 H new TER 1807 LEU A 890