USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 540 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -133:sc= -0.532 (180deg=-3.18!) USER MOD Single : A 35 THR OG1 : rot 180:sc= -1.25 USER MOD Single : A 54 LYS NZ :NH3+ 168:sc= -0.0375 (180deg=-0.218) USER MOD Single : A 73 LYS NZ :NH3+ -133:sc= -2.33 (180deg=-5.11!) USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 2.069 -15.574 5.263 1.00 0.00 N ATOM 19 CA ARG A 2 2.716 -14.307 5.592 1.00 0.00 C ATOM 20 C ARG A 2 2.031 -13.147 4.875 1.00 0.00 C ATOM 21 O ARG A 2 1.648 -13.266 3.712 1.00 0.00 O ATOM 22 CB ARG A 2 4.198 -14.356 5.215 1.00 0.00 C ATOM 23 CG ARG A 2 5.020 -15.274 6.102 1.00 0.00 C ATOM 24 CD ARG A 2 5.140 -14.718 7.512 1.00 0.00 C ATOM 25 NE ARG A 2 5.841 -15.633 8.409 1.00 0.00 N ATOM 26 CZ ARG A 2 5.346 -16.802 8.808 1.00 0.00 C ATOM 27 NH1 ARG A 2 4.132 -17.182 8.424 1.00 0.00 N ATOM 28 NH2 ARG A 2 6.059 -17.588 9.603 1.00 0.00 N ATOM 0 HA ARG A 2 2.628 -14.148 6.667 1.00 0.00 H new ATOM 0 HB2 ARG A 2 4.290 -14.686 4.180 1.00 0.00 H new ATOM 0 HB3 ARG A 2 4.611 -13.349 5.267 1.00 0.00 H new ATOM 0 HG2 ARG A 2 4.557 -16.260 6.136 1.00 0.00 H new ATOM 0 HG3 ARG A 2 6.014 -15.403 5.674 1.00 0.00 H new ATOM 0 HD2 ARG A 2 5.669 -13.766 7.481 1.00 0.00 H new ATOM 0 HD3 ARG A 2 4.144 -14.517 7.907 1.00 0.00 H new ATOM 0 HE ARG A 2 6.763 -15.360 8.749 1.00 0.00 H new ATOM 0 HH11 ARG A 2 3.575 -16.577 7.821 1.00 0.00 H new ATOM 0 HH12 ARG A 2 3.757 -18.079 8.732 1.00 0.00 H new ATOM 0 HH21 ARG A 2 6.987 -17.297 9.909 1.00 0.00 H new ATOM 0 HH22 ARG A 2 5.679 -18.484 9.909 1.00 0.00 H new ATOM 42 N VAL A 3 1.884 -12.024 5.573 1.00 0.00 N ATOM 43 CA VAL A 3 1.249 -10.848 4.988 1.00 0.00 C ATOM 44 C VAL A 3 2.204 -9.659 4.961 1.00 0.00 C ATOM 45 O VAL A 3 2.906 -9.388 5.936 1.00 0.00 O ATOM 46 CB VAL A 3 -0.038 -10.459 5.747 1.00 0.00 C ATOM 47 CG1 VAL A 3 0.265 -10.093 7.192 1.00 0.00 C ATOM 48 CG2 VAL A 3 -0.749 -9.315 5.039 1.00 0.00 C ATOM 0 H VAL A 3 2.194 -11.904 6.537 1.00 0.00 H new ATOM 0 HA VAL A 3 0.983 -11.112 3.965 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.700 -11.325 5.755 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.661 -9.824 7.701 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.721 -10.946 7.695 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.952 -9.247 7.217 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.654 -9.054 5.588 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.089 -8.449 4.994 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.014 -9.622 4.027 1.00 0.00 H new ATOM 58 N GLY A 4 2.221 -8.949 3.837 1.00 0.00 N ATOM 59 CA GLY A 4 3.085 -7.791 3.701 1.00 0.00 C ATOM 60 C GLY A 4 2.485 -6.554 4.339 1.00 0.00 C ATOM 61 O GLY A 4 1.322 -6.233 4.100 1.00 0.00 O ATOM 0 H GLY A 4 1.651 -9.156 3.017 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.050 -8.003 4.161 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.270 -7.600 2.644 1.00 0.00 H new ATOM 65 N ALA A 5 3.270 -5.856 5.151 1.00 0.00 N ATOM 66 CA ALA A 5 2.795 -4.649 5.819 1.00 0.00 C ATOM 67 C ALA A 5 3.534 -3.416 5.315 1.00 0.00 C ATOM 68 O ALA A 5 4.762 -3.399 5.249 1.00 0.00 O ATOM 69 CB ALA A 5 2.953 -4.783 7.325 1.00 0.00 C ATOM 0 H ALA A 5 4.236 -6.104 5.363 1.00 0.00 H new ATOM 0 HA ALA A 5 1.737 -4.526 5.585 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.595 -3.875 7.811 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.373 -5.636 7.677 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.005 -4.934 7.569 1.00 0.00 H new ATOM 75 N LEU A 6 2.776 -2.384 4.959 1.00 0.00 N ATOM 76 CA LEU A 6 3.358 -1.143 4.459 1.00 0.00 C ATOM 77 C LEU A 6 2.913 0.048 5.300 1.00 0.00 C ATOM 78 O LEU A 6 1.737 0.172 5.646 1.00 0.00 O ATOM 79 CB LEU A 6 2.966 -0.926 2.996 1.00 0.00 C ATOM 80 CG LEU A 6 3.503 -1.973 2.018 1.00 0.00 C ATOM 81 CD1 LEU A 6 2.990 -1.700 0.612 1.00 0.00 C ATOM 82 CD2 LEU A 6 5.028 -1.993 2.038 1.00 0.00 C ATOM 0 H LEU A 6 1.757 -2.382 5.007 1.00 0.00 H new ATOM 0 HA LEU A 6 4.443 -1.226 4.530 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.878 -0.910 2.926 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.320 0.056 2.683 1.00 0.00 H new ATOM 0 HG LEU A 6 3.144 -2.953 2.331 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.382 -2.454 -0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.901 -1.738 0.608 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.320 -0.712 0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.391 -2.744 1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.409 -1.013 1.750 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.376 -2.237 3.042 1.00 0.00 H new ATOM 94 N ASP A 7 3.859 0.924 5.625 1.00 0.00 N ATOM 95 CA ASP A 7 3.563 2.110 6.423 1.00 0.00 C ATOM 96 C ASP A 7 4.336 3.316 5.900 1.00 0.00 C ATOM 97 O ASP A 7 5.525 3.222 5.608 1.00 0.00 O ATOM 98 CB ASP A 7 3.904 1.862 7.894 1.00 0.00 C ATOM 99 CG ASP A 7 5.372 1.553 8.110 1.00 0.00 C ATOM 100 OD1 ASP A 7 6.213 2.427 7.815 1.00 0.00 O ATOM 101 OD2 ASP A 7 5.681 0.432 8.571 1.00 0.00 O ATOM 0 H ASP A 7 4.837 0.835 5.348 1.00 0.00 H new ATOM 0 HA ASP A 7 2.497 2.320 6.341 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.632 2.741 8.479 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.304 1.032 8.267 1.00 0.00 H new ATOM 106 N VAL A 8 3.651 4.448 5.781 1.00 0.00 N ATOM 107 CA VAL A 8 4.278 5.669 5.287 1.00 0.00 C ATOM 108 C VAL A 8 4.679 6.597 6.429 1.00 0.00 C ATOM 109 O VAL A 8 3.871 6.904 7.306 1.00 0.00 O ATOM 110 CB VAL A 8 3.346 6.429 4.323 1.00 0.00 C ATOM 111 CG1 VAL A 8 3.018 5.572 3.109 1.00 0.00 C ATOM 112 CG2 VAL A 8 2.073 6.865 5.036 1.00 0.00 C ATOM 0 H VAL A 8 2.664 4.546 6.019 1.00 0.00 H new ATOM 0 HA VAL A 8 5.175 5.361 4.750 1.00 0.00 H new ATOM 0 HB VAL A 8 3.865 7.324 3.979 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.359 6.126 2.440 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.939 5.318 2.583 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.521 4.657 3.433 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.430 7.400 4.337 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.549 5.987 5.413 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.329 7.521 5.868 1.00 0.00 H new ATOM 122 N GLY A 9 5.931 7.045 6.407 1.00 0.00 N ATOM 123 CA GLY A 9 6.419 7.941 7.440 1.00 0.00 C ATOM 124 C GLY A 9 6.796 9.303 6.889 1.00 0.00 C ATOM 125 O GLY A 9 6.065 9.877 6.084 1.00 0.00 O ATOM 0 H GLY A 9 6.617 6.803 5.692 1.00 0.00 H new ATOM 0 HA2 GLY A 9 5.653 8.061 8.206 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.287 7.495 7.925 1.00 0.00 H new ATOM 129 N GLU A 10 7.945 9.817 7.321 1.00 0.00 N ATOM 130 CA GLU A 10 8.418 11.119 6.862 1.00 0.00 C ATOM 131 C GLU A 10 8.677 11.102 5.361 1.00 0.00 C ATOM 132 O GLU A 10 8.321 12.039 4.648 1.00 0.00 O ATOM 133 CB GLU A 10 9.692 11.518 7.609 1.00 0.00 C ATOM 134 CG GLU A 10 10.839 10.539 7.419 1.00 0.00 C ATOM 135 CD GLU A 10 12.090 10.956 8.169 1.00 0.00 C ATOM 136 OE1 GLU A 10 12.609 12.057 7.893 1.00 0.00 O ATOM 137 OE2 GLU A 10 12.549 10.179 9.032 1.00 0.00 O ATOM 0 H GLU A 10 8.564 9.353 7.986 1.00 0.00 H new ATOM 0 HA GLU A 10 7.641 11.854 7.071 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.008 12.505 7.271 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.469 11.602 8.673 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.529 9.551 7.758 1.00 0.00 H new ATOM 0 HG3 GLU A 10 11.068 10.454 6.357 1.00 0.00 H new ATOM 144 N ALA A 11 9.295 10.027 4.888 1.00 0.00 N ATOM 145 CA ALA A 11 9.595 9.885 3.470 1.00 0.00 C ATOM 146 C ALA A 11 10.114 8.484 3.164 1.00 0.00 C ATOM 147 O ALA A 11 11.028 8.309 2.356 1.00 0.00 O ATOM 148 CB ALA A 11 10.609 10.934 3.038 1.00 0.00 C ATOM 0 H ALA A 11 9.598 9.242 5.465 1.00 0.00 H new ATOM 0 HA ALA A 11 8.674 10.037 2.907 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.824 10.816 1.976 1.00 0.00 H new ATOM 0 HB2 ALA A 11 10.202 11.929 3.218 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.528 10.809 3.610 1.00 0.00 H new ATOM 154 N ARG A 12 9.523 7.490 3.814 1.00 0.00 N ATOM 155 CA ARG A 12 9.923 6.103 3.620 1.00 0.00 C ATOM 156 C ARG A 12 8.780 5.155 3.959 1.00 0.00 C ATOM 157 O ARG A 12 7.982 5.422 4.860 1.00 0.00 O ATOM 158 CB ARG A 12 11.143 5.774 4.484 1.00 0.00 C ATOM 159 CG ARG A 12 12.360 6.632 4.176 1.00 0.00 C ATOM 160 CD ARG A 12 13.549 6.240 5.040 1.00 0.00 C ATOM 161 NE ARG A 12 14.720 7.073 4.775 1.00 0.00 N ATOM 162 CZ ARG A 12 14.785 8.376 5.047 1.00 0.00 C ATOM 163 NH1 ARG A 12 13.765 8.991 5.635 1.00 0.00 N ATOM 164 NH2 ARG A 12 15.877 9.062 4.741 1.00 0.00 N ATOM 0 H ARG A 12 8.763 7.619 4.482 1.00 0.00 H new ATOM 0 HA ARG A 12 10.183 5.972 2.570 1.00 0.00 H new ATOM 0 HB2 ARG A 12 10.878 5.899 5.534 1.00 0.00 H new ATOM 0 HB3 ARG A 12 11.404 4.725 4.344 1.00 0.00 H new ATOM 0 HG2 ARG A 12 12.623 6.528 3.123 1.00 0.00 H new ATOM 0 HG3 ARG A 12 12.118 7.682 4.342 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.276 6.324 6.092 1.00 0.00 H new ATOM 0 HD3 ARG A 12 13.800 5.195 4.858 1.00 0.00 H new ATOM 0 HE ARG A 12 15.538 6.630 4.356 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.926 8.466 5.881 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.821 9.989 5.841 1.00 0.00 H new ATOM 0 HH21 ARG A 12 16.667 8.593 4.298 1.00 0.00 H new ATOM 0 HH22 ARG A 12 15.928 10.059 4.949 1.00 0.00 H new ATOM 178 N ILE A 13 8.713 4.042 3.241 1.00 0.00 N ATOM 179 CA ILE A 13 7.679 3.044 3.467 1.00 0.00 C ATOM 180 C ILE A 13 8.218 1.901 4.320 1.00 0.00 C ATOM 181 O ILE A 13 9.248 1.309 3.997 1.00 0.00 O ATOM 182 CB ILE A 13 7.142 2.477 2.136 1.00 0.00 C ATOM 183 CG1 ILE A 13 6.621 3.611 1.250 1.00 0.00 C ATOM 184 CG2 ILE A 13 6.044 1.455 2.394 1.00 0.00 C ATOM 185 CD1 ILE A 13 6.084 3.137 -0.083 1.00 0.00 C ATOM 0 H ILE A 13 9.367 3.808 2.494 1.00 0.00 H new ATOM 0 HA ILE A 13 6.860 3.537 3.991 1.00 0.00 H new ATOM 0 HB ILE A 13 7.960 1.977 1.617 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.833 4.144 1.782 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.426 4.324 1.075 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.678 1.067 1.444 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.443 0.635 2.992 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.224 1.930 2.932 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.732 3.993 -0.659 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.876 2.630 -0.634 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.257 2.446 0.083 1.00 0.00 H new ATOM 197 N GLY A 14 7.520 1.589 5.408 1.00 0.00 N ATOM 198 CA GLY A 14 7.957 0.516 6.279 1.00 0.00 C ATOM 199 C GLY A 14 7.612 -0.852 5.729 1.00 0.00 C ATOM 200 O GLY A 14 6.455 -1.122 5.407 1.00 0.00 O ATOM 0 H GLY A 14 6.663 2.059 5.700 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.035 0.585 6.423 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.496 0.637 7.259 1.00 0.00 H new ATOM 204 N LEU A 15 8.617 -1.719 5.627 1.00 0.00 N ATOM 205 CA LEU A 15 8.412 -3.071 5.117 1.00 0.00 C ATOM 206 C LEU A 15 8.304 -4.074 6.261 1.00 0.00 C ATOM 207 O LEU A 15 9.138 -4.087 7.167 1.00 0.00 O ATOM 208 CB LEU A 15 9.558 -3.472 4.186 1.00 0.00 C ATOM 209 CG LEU A 15 9.667 -2.652 2.901 1.00 0.00 C ATOM 210 CD1 LEU A 15 10.841 -3.135 2.060 1.00 0.00 C ATOM 211 CD2 LEU A 15 8.370 -2.732 2.108 1.00 0.00 C ATOM 0 H LEU A 15 9.580 -1.509 5.891 1.00 0.00 H new ATOM 0 HA LEU A 15 7.477 -3.079 4.556 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.497 -3.387 4.733 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.438 -4.522 3.919 1.00 0.00 H new ATOM 0 HG LEU A 15 9.842 -1.610 3.168 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.905 -2.541 1.149 1.00 0.00 H new ATOM 0 HD12 LEU A 15 11.765 -3.027 2.629 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.695 -4.183 1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.464 -2.143 1.196 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.165 -3.771 1.849 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.551 -2.340 2.710 1.00 0.00 H new ATOM 223 N ALA A 16 7.270 -4.905 6.217 1.00 0.00 N ATOM 224 CA ALA A 16 7.052 -5.906 7.253 1.00 0.00 C ATOM 225 C ALA A 16 6.337 -7.129 6.694 1.00 0.00 C ATOM 226 O ALA A 16 5.498 -7.018 5.801 1.00 0.00 O ATOM 227 CB ALA A 16 6.258 -5.308 8.403 1.00 0.00 C ATOM 0 H ALA A 16 6.570 -4.905 5.475 1.00 0.00 H new ATOM 0 HA ALA A 16 8.025 -6.227 7.625 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.102 -6.066 9.170 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.809 -4.469 8.828 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.293 -4.959 8.036 1.00 0.00 H new ATOM 233 N VAL A 17 6.675 -8.297 7.227 1.00 0.00 N ATOM 234 CA VAL A 17 6.066 -9.544 6.783 1.00 0.00 C ATOM 235 C VAL A 17 5.937 -10.525 7.944 1.00 0.00 C ATOM 236 O VAL A 17 6.918 -10.839 8.618 1.00 0.00 O ATOM 237 CB VAL A 17 6.889 -10.199 5.657 1.00 0.00 C ATOM 238 CG1 VAL A 17 6.210 -11.466 5.158 1.00 0.00 C ATOM 239 CG2 VAL A 17 7.104 -9.217 4.514 1.00 0.00 C ATOM 0 H VAL A 17 7.368 -8.406 7.968 1.00 0.00 H new ATOM 0 HA VAL A 17 5.075 -9.301 6.400 1.00 0.00 H new ATOM 0 HB VAL A 17 7.863 -10.475 6.061 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.809 -11.911 4.363 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.113 -12.175 5.980 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.220 -11.221 4.772 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.687 -9.696 3.727 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.139 -8.908 4.113 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.641 -8.342 4.882 1.00 0.00 H new ATOM 249 N GLY A 18 4.717 -10.999 8.174 1.00 0.00 N ATOM 250 CA GLY A 18 4.477 -11.931 9.257 1.00 0.00 C ATOM 251 C GLY A 18 3.022 -12.343 9.356 1.00 0.00 C ATOM 252 O GLY A 18 2.129 -11.584 8.980 1.00 0.00 O ATOM 0 H GLY A 18 3.891 -10.753 7.629 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.093 -12.818 9.112 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.788 -11.477 10.198 1.00 0.00 H new ATOM 370 N ARG A 28 10.826 -5.675 8.372 1.00 0.00 N ATOM 371 CA ARG A 28 12.008 -6.329 7.823 1.00 0.00 C ATOM 372 C ARG A 28 12.947 -5.305 7.195 1.00 0.00 C ATOM 373 O ARG A 28 14.169 -5.442 7.262 1.00 0.00 O ATOM 374 CB ARG A 28 11.604 -7.377 6.785 1.00 0.00 C ATOM 375 CG ARG A 28 10.719 -8.479 7.344 1.00 0.00 C ATOM 376 CD ARG A 28 10.364 -9.505 6.280 1.00 0.00 C ATOM 377 NE ARG A 28 11.551 -10.154 5.729 1.00 0.00 N ATOM 378 CZ ARG A 28 11.512 -11.098 4.790 1.00 0.00 C ATOM 379 NH1 ARG A 28 10.348 -11.505 4.297 1.00 0.00 N ATOM 380 NH2 ARG A 28 12.639 -11.635 4.343 1.00 0.00 N ATOM 0 HA ARG A 28 12.532 -6.826 8.639 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.081 -6.882 5.967 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.504 -7.824 6.364 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.230 -8.973 8.170 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.806 -8.043 7.749 1.00 0.00 H new ATOM 0 HD2 ARG A 28 9.705 -10.259 6.709 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.811 -9.018 5.477 1.00 0.00 H new ATOM 0 HE ARG A 28 12.463 -9.868 6.084 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.478 -11.094 4.637 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.323 -12.228 3.578 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.535 -11.325 4.718 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.609 -12.358 3.624 1.00 0.00 H new ATOM 394 N GLY A 29 12.365 -4.279 6.585 1.00 0.00 N ATOM 395 CA GLY A 29 13.156 -3.241 5.950 1.00 0.00 C ATOM 396 C GLY A 29 12.370 -1.959 5.754 1.00 0.00 C ATOM 397 O GLY A 29 11.659 -1.519 6.657 1.00 0.00 O ATOM 0 H GLY A 29 11.356 -4.147 6.519 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.037 -3.035 6.558 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.512 -3.598 4.984 1.00 0.00 H new ATOM 401 N TYR A 30 12.491 -1.359 4.574 1.00 0.00 N ATOM 402 CA TYR A 30 11.780 -0.121 4.272 1.00 0.00 C ATOM 403 C TYR A 30 12.067 0.346 2.847 1.00 0.00 C ATOM 404 O TYR A 30 13.201 0.273 2.374 1.00 0.00 O ATOM 405 CB TYR A 30 12.158 0.972 5.277 1.00 0.00 C ATOM 406 CG TYR A 30 13.641 1.274 5.328 1.00 0.00 C ATOM 407 CD1 TYR A 30 14.286 1.879 4.258 1.00 0.00 C ATOM 408 CD2 TYR A 30 14.395 0.948 6.449 1.00 0.00 C ATOM 409 CE1 TYR A 30 15.641 2.152 4.302 1.00 0.00 C ATOM 410 CE2 TYR A 30 15.749 1.219 6.502 1.00 0.00 C ATOM 411 CZ TYR A 30 16.366 1.820 5.426 1.00 0.00 C ATOM 412 OH TYR A 30 17.715 2.090 5.475 1.00 0.00 O ATOM 0 H TYR A 30 13.073 -1.709 3.813 1.00 0.00 H new ATOM 0 HA TYR A 30 10.711 -0.319 4.354 1.00 0.00 H new ATOM 0 HB2 TYR A 30 11.620 1.886 5.024 1.00 0.00 H new ATOM 0 HB3 TYR A 30 11.825 0.670 6.270 1.00 0.00 H new ATOM 0 HD1 TYR A 30 13.720 2.141 3.376 1.00 0.00 H new ATOM 0 HD2 TYR A 30 13.915 0.475 7.293 1.00 0.00 H new ATOM 0 HE1 TYR A 30 16.128 2.622 3.461 1.00 0.00 H new ATOM 0 HE2 TYR A 30 16.320 0.961 7.381 1.00 0.00 H new ATOM 0 HH TYR A 30 18.077 1.795 6.337 1.00 0.00 H new ATOM 422 N LEU A 31 11.028 0.823 2.168 1.00 0.00 N ATOM 423 CA LEU A 31 11.164 1.305 0.797 1.00 0.00 C ATOM 424 C LEU A 31 11.091 2.827 0.752 1.00 0.00 C ATOM 425 O LEU A 31 10.127 3.421 1.232 1.00 0.00 O ATOM 426 CB LEU A 31 10.058 0.715 -0.083 1.00 0.00 C ATOM 427 CG LEU A 31 9.998 -0.813 -0.120 1.00 0.00 C ATOM 428 CD1 LEU A 31 8.806 -1.280 -0.941 1.00 0.00 C ATOM 429 CD2 LEU A 31 11.291 -1.382 -0.683 1.00 0.00 C ATOM 0 H LEU A 31 10.082 0.886 2.545 1.00 0.00 H new ATOM 0 HA LEU A 31 12.136 0.986 0.420 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.097 1.092 0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 31 10.192 1.082 -1.101 1.00 0.00 H new ATOM 0 HG LEU A 31 9.876 -1.179 0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.779 -2.370 -0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.886 -0.901 -0.496 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.897 -0.905 -1.960 1.00 0.00 H new ATOM 0 HD21 LEU A 31 11.232 -2.470 -0.702 1.00 0.00 H new ATOM 0 HD22 LEU A 31 11.442 -1.009 -1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 31 12.127 -1.075 -0.055 1.00 0.00 H new ATOM 441 N VAL A 32 12.099 3.457 0.161 1.00 0.00 N ATOM 442 CA VAL A 32 12.117 4.911 0.049 1.00 0.00 C ATOM 443 C VAL A 32 11.008 5.379 -0.887 1.00 0.00 C ATOM 444 O VAL A 32 10.831 4.820 -1.970 1.00 0.00 O ATOM 445 CB VAL A 32 13.475 5.421 -0.474 1.00 0.00 C ATOM 446 CG1 VAL A 32 13.495 6.943 -0.526 1.00 0.00 C ATOM 447 CG2 VAL A 32 14.611 4.895 0.390 1.00 0.00 C ATOM 0 H VAL A 32 12.909 2.989 -0.245 1.00 0.00 H new ATOM 0 HA VAL A 32 11.956 5.320 1.047 1.00 0.00 H new ATOM 0 HB VAL A 32 13.615 5.046 -1.488 1.00 0.00 H new ATOM 0 HG11 VAL A 32 14.462 7.282 -0.898 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.707 7.295 -1.192 1.00 0.00 H new ATOM 0 HG13 VAL A 32 13.330 7.343 0.474 1.00 0.00 H new ATOM 0 HG21 VAL A 32 15.562 5.265 0.006 1.00 0.00 H new ATOM 0 HG22 VAL A 32 14.476 5.237 1.416 1.00 0.00 H new ATOM 0 HG23 VAL A 32 14.610 3.805 0.368 1.00 0.00 H new ATOM 457 N ARG A 33 10.254 6.392 -0.472 1.00 0.00 N ATOM 458 CA ARG A 33 9.161 6.899 -1.296 1.00 0.00 C ATOM 459 C ARG A 33 9.665 7.331 -2.669 1.00 0.00 C ATOM 460 O ARG A 33 10.578 8.147 -2.782 1.00 0.00 O ATOM 461 CB ARG A 33 8.461 8.071 -0.606 1.00 0.00 C ATOM 462 CG ARG A 33 7.862 7.713 0.744 1.00 0.00 C ATOM 463 CD ARG A 33 7.059 8.869 1.319 1.00 0.00 C ATOM 464 NE ARG A 33 5.864 9.154 0.530 1.00 0.00 N ATOM 465 CZ ARG A 33 4.832 8.319 0.417 1.00 0.00 C ATOM 466 NH1 ARG A 33 4.827 7.164 1.071 1.00 0.00 N ATOM 467 NH2 ARG A 33 3.796 8.645 -0.345 1.00 0.00 N ATOM 0 H ARG A 33 10.377 6.873 0.419 1.00 0.00 H new ATOM 0 HA ARG A 33 8.444 6.089 -1.429 1.00 0.00 H new ATOM 0 HB2 ARG A 33 9.176 8.883 -0.473 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.671 8.445 -1.257 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.220 6.839 0.638 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.659 7.441 1.437 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.769 8.634 2.343 1.00 0.00 H new ATOM 0 HD3 ARG A 33 7.686 9.760 1.361 1.00 0.00 H new ATOM 0 HE ARG A 33 5.816 10.045 0.036 1.00 0.00 H new ATOM 0 HH11 ARG A 33 5.617 6.911 1.665 1.00 0.00 H new ATOM 0 HH12 ARG A 33 4.033 6.530 0.980 1.00 0.00 H new ATOM 0 HH21 ARG A 33 3.790 9.535 -0.844 1.00 0.00 H new ATOM 0 HH22 ARG A 33 3.006 8.006 -0.432 1.00 0.00 H new ATOM 481 N LYS A 34 9.059 6.772 -3.711 1.00 0.00 N ATOM 482 CA LYS A 34 9.437 7.089 -5.081 1.00 0.00 C ATOM 483 C LYS A 34 8.343 7.921 -5.762 1.00 0.00 C ATOM 484 O LYS A 34 8.292 9.136 -5.583 1.00 0.00 O ATOM 485 CB LYS A 34 9.719 5.801 -5.856 1.00 0.00 C ATOM 486 CG LYS A 34 10.850 4.972 -5.271 1.00 0.00 C ATOM 487 CD LYS A 34 11.070 3.696 -6.066 1.00 0.00 C ATOM 488 CE LYS A 34 12.129 2.815 -5.424 1.00 0.00 C ATOM 489 NZ LYS A 34 12.369 1.573 -6.210 1.00 0.00 N ATOM 0 H LYS A 34 8.301 6.094 -3.631 1.00 0.00 H new ATOM 0 HA LYS A 34 10.348 7.687 -5.070 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.812 5.196 -5.881 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.962 6.054 -6.888 1.00 0.00 H new ATOM 0 HG2 LYS A 34 11.768 5.560 -5.263 1.00 0.00 H new ATOM 0 HG3 LYS A 34 10.622 4.722 -4.235 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.132 3.145 -6.139 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.372 3.947 -7.083 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.061 3.374 -5.335 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.818 2.551 -4.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.375 0.753 -5.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.613 1.457 -6.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.287 1.641 -6.695 1.00 0.00 H new ATOM 503 N THR A 35 7.463 7.266 -6.528 1.00 0.00 N ATOM 504 CA THR A 35 6.371 7.958 -7.209 1.00 0.00 C ATOM 505 C THR A 35 5.441 6.997 -7.944 1.00 0.00 C ATOM 506 O THR A 35 5.882 6.193 -8.757 1.00 0.00 O ATOM 507 CB THR A 35 6.886 9.000 -8.217 1.00 0.00 C ATOM 508 OG1 THR A 35 8.129 8.567 -8.786 1.00 0.00 O ATOM 509 CG2 THR A 35 7.056 10.359 -7.555 1.00 0.00 C ATOM 0 H THR A 35 7.488 6.259 -6.690 1.00 0.00 H new ATOM 0 HA THR A 35 5.814 8.460 -6.418 1.00 0.00 H new ATOM 0 HB THR A 35 6.147 9.098 -9.013 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.446 9.237 -9.427 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.421 11.078 -8.289 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.096 10.696 -7.163 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.773 10.279 -6.738 1.00 0.00 H new ATOM 517 N LEU A 36 4.147 7.127 -7.651 1.00 0.00 N ATOM 518 CA LEU A 36 3.077 6.324 -8.262 1.00 0.00 C ATOM 519 C LEU A 36 3.558 5.050 -8.971 1.00 0.00 C ATOM 520 O LEU A 36 3.378 3.943 -8.463 1.00 0.00 O ATOM 521 CB LEU A 36 2.297 7.191 -9.255 1.00 0.00 C ATOM 522 CG LEU A 36 1.190 6.468 -10.025 1.00 0.00 C ATOM 523 CD1 LEU A 36 0.154 5.902 -9.069 1.00 0.00 C ATOM 524 CD2 LEU A 36 0.535 7.411 -11.024 1.00 0.00 C ATOM 0 H LEU A 36 3.802 7.804 -6.971 1.00 0.00 H new ATOM 0 HA LEU A 36 2.447 5.989 -7.438 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.854 8.026 -8.713 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.000 7.614 -9.973 1.00 0.00 H new ATOM 0 HG LEU A 36 1.638 5.639 -10.573 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.624 5.392 -9.636 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.632 5.194 -8.392 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.290 6.713 -8.492 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.250 6.881 -11.563 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.102 8.259 -10.494 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.283 7.769 -11.731 1.00 0.00 H new ATOM 536 N GLU A 37 4.133 5.216 -10.160 1.00 0.00 N ATOM 537 CA GLU A 37 4.598 4.082 -10.958 1.00 0.00 C ATOM 538 C GLU A 37 5.780 3.374 -10.311 1.00 0.00 C ATOM 539 O GLU A 37 5.824 2.145 -10.250 1.00 0.00 O ATOM 540 CB GLU A 37 4.984 4.550 -12.364 1.00 0.00 C ATOM 541 CG GLU A 37 6.088 5.594 -12.377 1.00 0.00 C ATOM 542 CD GLU A 37 6.436 6.056 -13.779 1.00 0.00 C ATOM 543 OE1 GLU A 37 6.845 5.207 -14.598 1.00 0.00 O ATOM 544 OE2 GLU A 37 6.299 7.265 -14.057 1.00 0.00 O ATOM 0 H GLU A 37 4.289 6.126 -10.593 1.00 0.00 H new ATOM 0 HA GLU A 37 3.776 3.369 -11.019 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.304 3.688 -12.950 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.102 4.960 -12.856 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.778 6.453 -11.782 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.979 5.182 -11.902 1.00 0.00 H new ATOM 551 N GLU A 38 6.734 4.156 -9.836 1.00 0.00 N ATOM 552 CA GLU A 38 7.925 3.604 -9.195 1.00 0.00 C ATOM 553 C GLU A 38 7.533 2.734 -8.014 1.00 0.00 C ATOM 554 O GLU A 38 7.960 1.585 -7.897 1.00 0.00 O ATOM 555 CB GLU A 38 8.838 4.723 -8.694 1.00 0.00 C ATOM 556 CG GLU A 38 8.869 5.944 -9.591 1.00 0.00 C ATOM 557 CD GLU A 38 9.263 5.617 -11.019 1.00 0.00 C ATOM 558 OE1 GLU A 38 9.514 4.429 -11.311 1.00 0.00 O ATOM 559 OE2 GLU A 38 9.323 6.552 -11.845 1.00 0.00 O ATOM 0 H GLU A 38 6.711 5.175 -9.880 1.00 0.00 H new ATOM 0 HA GLU A 38 8.455 3.007 -9.937 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.512 5.025 -7.699 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.851 4.333 -8.593 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.886 6.415 -9.589 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.571 6.671 -9.183 1.00 0.00 H new ATOM 566 N ASP A 39 6.712 3.301 -7.139 1.00 0.00 N ATOM 567 CA ASP A 39 6.248 2.590 -5.946 1.00 0.00 C ATOM 568 C ASP A 39 5.724 1.201 -6.299 1.00 0.00 C ATOM 569 O ASP A 39 6.004 0.225 -5.603 1.00 0.00 O ATOM 570 CB ASP A 39 5.142 3.379 -5.239 1.00 0.00 C ATOM 571 CG ASP A 39 5.600 4.749 -4.787 1.00 0.00 C ATOM 572 OD1 ASP A 39 5.944 5.572 -5.655 1.00 0.00 O ATOM 573 OD2 ASP A 39 5.613 4.998 -3.562 1.00 0.00 O ATOM 0 H ASP A 39 6.352 4.251 -7.230 1.00 0.00 H new ATOM 0 HA ASP A 39 7.103 2.487 -5.278 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.292 3.488 -5.912 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.793 2.813 -4.375 1.00 0.00 H new ATOM 578 N VAL A 40 4.961 1.120 -7.384 1.00 0.00 N ATOM 579 CA VAL A 40 4.394 -0.150 -7.827 1.00 0.00 C ATOM 580 C VAL A 40 5.497 -1.159 -8.101 1.00 0.00 C ATOM 581 O VAL A 40 5.498 -2.266 -7.564 1.00 0.00 O ATOM 582 CB VAL A 40 3.571 0.013 -9.119 1.00 0.00 C ATOM 583 CG1 VAL A 40 2.651 -1.179 -9.330 1.00 0.00 C ATOM 584 CG2 VAL A 40 2.791 1.312 -9.107 1.00 0.00 C ATOM 0 H VAL A 40 4.721 1.918 -7.973 1.00 0.00 H new ATOM 0 HA VAL A 40 3.744 -0.500 -7.025 1.00 0.00 H new ATOM 0 HB VAL A 40 4.265 0.052 -9.958 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.081 -1.040 -10.248 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.246 -2.089 -9.406 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.966 -1.263 -8.487 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.219 1.402 -10.031 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.110 1.319 -8.256 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.482 2.151 -9.026 1.00 0.00 H new ATOM 594 N GLU A 41 6.435 -0.760 -8.949 1.00 0.00 N ATOM 595 CA GLU A 41 7.561 -1.619 -9.316 1.00 0.00 C ATOM 596 C GLU A 41 8.285 -2.145 -8.079 1.00 0.00 C ATOM 597 O GLU A 41 8.538 -3.344 -7.963 1.00 0.00 O ATOM 598 CB GLU A 41 8.547 -0.859 -10.208 1.00 0.00 C ATOM 599 CG GLU A 41 8.098 -0.716 -11.655 1.00 0.00 C ATOM 600 CD GLU A 41 6.746 -0.047 -11.795 1.00 0.00 C ATOM 601 OE1 GLU A 41 5.737 -0.653 -11.376 1.00 0.00 O ATOM 602 OE2 GLU A 41 6.694 1.083 -12.326 1.00 0.00 O ATOM 0 H GLU A 41 6.441 0.155 -9.399 1.00 0.00 H new ATOM 0 HA GLU A 41 7.160 -2.470 -9.867 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.707 0.135 -9.789 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.508 -1.372 -10.187 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.841 -0.138 -12.204 1.00 0.00 H new ATOM 0 HG3 GLU A 41 8.058 -1.703 -12.116 1.00 0.00 H new ATOM 609 N ALA A 42 8.617 -1.245 -7.160 1.00 0.00 N ATOM 610 CA ALA A 42 9.314 -1.625 -5.937 1.00 0.00 C ATOM 611 C ALA A 42 8.473 -2.579 -5.097 1.00 0.00 C ATOM 612 O ALA A 42 8.967 -3.596 -4.608 1.00 0.00 O ATOM 613 CB ALA A 42 9.676 -0.388 -5.129 1.00 0.00 C ATOM 0 H ALA A 42 8.415 -0.248 -7.239 1.00 0.00 H new ATOM 0 HA ALA A 42 10.230 -2.143 -6.219 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.196 -0.687 -4.219 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.325 0.257 -5.722 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.767 0.154 -4.866 1.00 0.00 H new ATOM 619 N LEU A 43 7.198 -2.243 -4.932 1.00 0.00 N ATOM 620 CA LEU A 43 6.282 -3.064 -4.149 1.00 0.00 C ATOM 621 C LEU A 43 6.060 -4.425 -4.800 1.00 0.00 C ATOM 622 O LEU A 43 6.107 -5.455 -4.130 1.00 0.00 O ATOM 623 CB LEU A 43 4.947 -2.341 -3.973 1.00 0.00 C ATOM 624 CG LEU A 43 4.997 -1.117 -3.057 1.00 0.00 C ATOM 625 CD1 LEU A 43 3.700 -0.328 -3.147 1.00 0.00 C ATOM 626 CD2 LEU A 43 5.260 -1.547 -1.622 1.00 0.00 C ATOM 0 H LEU A 43 6.775 -1.405 -5.331 1.00 0.00 H new ATOM 0 HA LEU A 43 6.733 -3.230 -3.170 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.586 -2.029 -4.953 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.218 -3.046 -3.575 1.00 0.00 H new ATOM 0 HG LEU A 43 5.812 -0.472 -3.384 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.755 0.539 -2.488 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.547 0.005 -4.173 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.867 -0.962 -2.844 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.294 -0.668 -0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.462 -2.210 -1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.214 -2.072 -1.568 1.00 0.00 H new ATOM 638 N LEU A 44 5.821 -4.426 -6.107 1.00 0.00 N ATOM 639 CA LEU A 44 5.599 -5.671 -6.831 1.00 0.00 C ATOM 640 C LEU A 44 6.816 -6.578 -6.727 1.00 0.00 C ATOM 641 O LEU A 44 6.706 -7.737 -6.332 1.00 0.00 O ATOM 642 CB LEU A 44 5.278 -5.389 -8.298 1.00 0.00 C ATOM 643 CG LEU A 44 3.931 -4.711 -8.545 1.00 0.00 C ATOM 644 CD1 LEU A 44 3.713 -4.483 -10.033 1.00 0.00 C ATOM 645 CD2 LEU A 44 2.806 -5.548 -7.960 1.00 0.00 C ATOM 0 H LEU A 44 5.776 -3.585 -6.683 1.00 0.00 H new ATOM 0 HA LEU A 44 4.748 -6.179 -6.378 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.066 -4.760 -8.712 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.300 -6.331 -8.847 1.00 0.00 H new ATOM 0 HG LEU A 44 3.934 -3.740 -8.049 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.749 -3.999 -10.190 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.506 -3.846 -10.423 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.727 -5.440 -10.554 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.852 -5.054 -8.143 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.801 -6.531 -8.431 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.957 -5.660 -6.886 1.00 0.00 H new ATOM 657 N ASP A 45 7.982 -6.041 -7.071 1.00 0.00 N ATOM 658 CA ASP A 45 9.223 -6.805 -7.009 1.00 0.00 C ATOM 659 C ASP A 45 9.354 -7.517 -5.667 1.00 0.00 C ATOM 660 O ASP A 45 9.824 -8.650 -5.598 1.00 0.00 O ATOM 661 CB ASP A 45 10.428 -5.887 -7.234 1.00 0.00 C ATOM 662 CG ASP A 45 10.408 -5.226 -8.599 1.00 0.00 C ATOM 663 OD1 ASP A 45 9.457 -5.479 -9.370 1.00 0.00 O ATOM 664 OD2 ASP A 45 11.346 -4.456 -8.898 1.00 0.00 O ATOM 0 H ASP A 45 8.094 -5.080 -7.395 1.00 0.00 H new ATOM 0 HA ASP A 45 9.198 -7.556 -7.799 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.444 -5.118 -6.462 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.346 -6.465 -7.127 1.00 0.00 H new ATOM 669 N PHE A 46 8.934 -6.842 -4.603 1.00 0.00 N ATOM 670 CA PHE A 46 9.002 -7.411 -3.264 1.00 0.00 C ATOM 671 C PHE A 46 7.947 -8.497 -3.071 1.00 0.00 C ATOM 672 O PHE A 46 8.216 -9.537 -2.476 1.00 0.00 O ATOM 673 CB PHE A 46 8.818 -6.313 -2.213 1.00 0.00 C ATOM 674 CG PHE A 46 8.900 -6.812 -0.798 1.00 0.00 C ATOM 675 CD1 PHE A 46 9.901 -7.690 -0.415 1.00 0.00 C ATOM 676 CD2 PHE A 46 7.974 -6.402 0.147 1.00 0.00 C ATOM 677 CE1 PHE A 46 9.977 -8.151 0.885 1.00 0.00 C ATOM 678 CE2 PHE A 46 8.046 -6.859 1.450 1.00 0.00 C ATOM 679 CZ PHE A 46 9.048 -7.734 1.819 1.00 0.00 C ATOM 0 H PHE A 46 8.543 -5.901 -4.642 1.00 0.00 H new ATOM 0 HA PHE A 46 9.985 -7.865 -3.142 1.00 0.00 H new ATOM 0 HB2 PHE A 46 9.579 -5.547 -2.364 1.00 0.00 H new ATOM 0 HB3 PHE A 46 7.850 -5.835 -2.365 1.00 0.00 H new ATOM 0 HD1 PHE A 46 10.630 -8.018 -1.141 1.00 0.00 H new ATOM 0 HD2 PHE A 46 7.188 -5.718 -0.137 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.761 -8.836 1.171 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.319 -6.532 2.178 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.106 -8.092 2.836 1.00 0.00 H new ATOM 689 N VAL A 47 6.740 -8.241 -3.565 1.00 0.00 N ATOM 690 CA VAL A 47 5.636 -9.187 -3.432 1.00 0.00 C ATOM 691 C VAL A 47 5.892 -10.491 -4.194 1.00 0.00 C ATOM 692 O VAL A 47 5.766 -11.579 -3.632 1.00 0.00 O ATOM 693 CB VAL A 47 4.311 -8.562 -3.919 1.00 0.00 C ATOM 694 CG1 VAL A 47 3.161 -9.551 -3.794 1.00 0.00 C ATOM 695 CG2 VAL A 47 4.011 -7.290 -3.140 1.00 0.00 C ATOM 0 H VAL A 47 6.500 -7.384 -4.063 1.00 0.00 H new ATOM 0 HA VAL A 47 5.560 -9.424 -2.371 1.00 0.00 H new ATOM 0 HB VAL A 47 4.421 -8.309 -4.973 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.240 -9.084 -4.144 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.373 -10.433 -4.398 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.045 -9.844 -2.751 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.074 -6.859 -3.493 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.925 -7.525 -2.079 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.819 -6.573 -3.289 1.00 0.00 H new ATOM 705 N ARG A 48 6.237 -10.381 -5.475 1.00 0.00 N ATOM 706 CA ARG A 48 6.489 -11.568 -6.298 1.00 0.00 C ATOM 707 C ARG A 48 7.783 -12.281 -5.911 1.00 0.00 C ATOM 708 O ARG A 48 7.762 -13.441 -5.498 1.00 0.00 O ATOM 709 CB ARG A 48 6.528 -11.220 -7.794 1.00 0.00 C ATOM 710 CG ARG A 48 6.935 -9.789 -8.109 1.00 0.00 C ATOM 711 CD ARG A 48 7.157 -9.592 -9.601 1.00 0.00 C ATOM 712 NE ARG A 48 7.552 -8.222 -9.919 1.00 0.00 N ATOM 713 CZ ARG A 48 7.809 -7.793 -11.153 1.00 0.00 C ATOM 714 NH1 ARG A 48 7.716 -8.623 -12.185 1.00 0.00 N ATOM 715 NH2 ARG A 48 8.161 -6.531 -11.356 1.00 0.00 N ATOM 0 H ARG A 48 6.348 -9.493 -5.964 1.00 0.00 H new ATOM 0 HA ARG A 48 5.656 -12.245 -6.109 1.00 0.00 H new ATOM 0 HB2 ARG A 48 7.222 -11.897 -8.292 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.542 -11.404 -8.221 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.162 -9.104 -7.761 1.00 0.00 H new ATOM 0 HG3 ARG A 48 7.848 -9.541 -7.568 1.00 0.00 H new ATOM 0 HD2 ARG A 48 7.927 -10.281 -9.947 1.00 0.00 H new ATOM 0 HD3 ARG A 48 6.242 -9.840 -10.140 1.00 0.00 H new ATOM 0 HE ARG A 48 7.636 -7.556 -9.151 1.00 0.00 H new ATOM 0 HH11 ARG A 48 7.446 -9.595 -12.035 1.00 0.00 H new ATOM 0 HH12 ARG A 48 7.914 -8.288 -13.128 1.00 0.00 H new ATOM 0 HH21 ARG A 48 8.235 -5.889 -10.567 1.00 0.00 H new ATOM 0 HH22 ARG A 48 8.358 -6.202 -12.301 1.00 0.00 H new ATOM 729 N ARG A 49 8.904 -11.591 -6.066 1.00 0.00 N ATOM 730 CA ARG A 49 10.215 -12.168 -5.754 1.00 0.00 C ATOM 731 C ARG A 49 10.225 -12.861 -4.391 1.00 0.00 C ATOM 732 O ARG A 49 10.647 -14.013 -4.278 1.00 0.00 O ATOM 733 CB ARG A 49 11.294 -11.083 -5.793 1.00 0.00 C ATOM 734 CG ARG A 49 11.386 -10.367 -7.130 1.00 0.00 C ATOM 735 CD ARG A 49 11.697 -11.335 -8.261 1.00 0.00 C ATOM 736 NE ARG A 49 11.768 -10.662 -9.555 1.00 0.00 N ATOM 737 CZ ARG A 49 12.009 -11.287 -10.705 1.00 0.00 C ATOM 738 NH1 ARG A 49 12.203 -12.600 -10.727 1.00 0.00 N ATOM 739 NH2 ARG A 49 12.056 -10.598 -11.837 1.00 0.00 N ATOM 0 H ARG A 49 8.938 -10.630 -6.406 1.00 0.00 H new ATOM 0 HA ARG A 49 10.427 -12.922 -6.512 1.00 0.00 H new ATOM 0 HB2 ARG A 49 11.090 -10.351 -5.011 1.00 0.00 H new ATOM 0 HB3 ARG A 49 12.260 -11.534 -5.564 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.445 -9.856 -7.336 1.00 0.00 H new ATOM 0 HG3 ARG A 49 12.161 -9.602 -7.081 1.00 0.00 H new ATOM 0 HD2 ARG A 49 12.645 -11.834 -8.060 1.00 0.00 H new ATOM 0 HD3 ARG A 49 10.930 -12.109 -8.297 1.00 0.00 H new ATOM 0 HE ARG A 49 11.624 -9.652 -9.579 1.00 0.00 H new ATOM 0 HH11 ARG A 49 12.168 -13.135 -9.859 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.387 -13.074 -11.611 1.00 0.00 H new ATOM 0 HH21 ARG A 49 11.907 -9.589 -11.826 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.241 -11.077 -12.718 1.00 0.00 H new ATOM 753 N GLU A 50 9.764 -12.161 -3.361 1.00 0.00 N ATOM 754 CA GLU A 50 9.728 -12.724 -2.012 1.00 0.00 C ATOM 755 C GLU A 50 8.564 -13.702 -1.845 1.00 0.00 C ATOM 756 O GLU A 50 8.421 -14.336 -0.799 1.00 0.00 O ATOM 757 CB GLU A 50 9.630 -11.607 -0.970 1.00 0.00 C ATOM 758 CG GLU A 50 9.677 -12.098 0.469 1.00 0.00 C ATOM 759 CD GLU A 50 10.955 -12.851 0.791 1.00 0.00 C ATOM 760 OE1 GLU A 50 11.199 -13.903 0.165 1.00 0.00 O ATOM 761 OE2 GLU A 50 11.710 -12.387 1.671 1.00 0.00 O ATOM 0 H GLU A 50 9.411 -11.207 -3.431 1.00 0.00 H new ATOM 0 HA GLU A 50 10.656 -13.275 -1.858 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.446 -10.902 -1.130 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.701 -11.059 -1.126 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.583 -11.246 1.142 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.821 -12.747 0.655 1.00 0.00 H new ATOM 768 N GLY A 51 7.737 -13.828 -2.880 1.00 0.00 N ATOM 769 CA GLY A 51 6.603 -14.732 -2.821 1.00 0.00 C ATOM 770 C GLY A 51 5.657 -14.408 -1.683 1.00 0.00 C ATOM 771 O GLY A 51 5.119 -15.308 -1.039 1.00 0.00 O ATOM 0 H GLY A 51 7.833 -13.319 -3.759 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.059 -14.688 -3.764 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.964 -15.754 -2.709 1.00 0.00 H new ATOM 775 N LEU A 52 5.451 -13.119 -1.436 1.00 0.00 N ATOM 776 CA LEU A 52 4.559 -12.683 -0.368 1.00 0.00 C ATOM 777 C LEU A 52 3.104 -12.926 -0.742 1.00 0.00 C ATOM 778 O LEU A 52 2.368 -13.593 -0.014 1.00 0.00 O ATOM 779 CB LEU A 52 4.775 -11.199 -0.062 1.00 0.00 C ATOM 780 CG LEU A 52 6.188 -10.830 0.392 1.00 0.00 C ATOM 781 CD1 LEU A 52 6.291 -9.336 0.650 1.00 0.00 C ATOM 782 CD2 LEU A 52 6.569 -11.617 1.636 1.00 0.00 C ATOM 0 H LEU A 52 5.888 -12.360 -1.959 1.00 0.00 H new ATOM 0 HA LEU A 52 4.792 -13.267 0.522 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.534 -10.621 -0.954 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.070 -10.897 0.713 1.00 0.00 H new ATOM 0 HG LEU A 52 6.886 -11.088 -0.404 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.303 -9.091 0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.060 -8.792 -0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.584 -9.052 1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.577 -11.342 1.946 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.868 -11.390 2.439 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.535 -12.684 1.416 1.00 0.00 H new ATOM 794 N GLY A 53 2.696 -12.381 -1.881 1.00 0.00 N ATOM 795 CA GLY A 53 1.330 -12.549 -2.332 1.00 0.00 C ATOM 796 C GLY A 53 0.320 -12.147 -1.273 1.00 0.00 C ATOM 797 O GLY A 53 -0.759 -12.731 -1.182 1.00 0.00 O ATOM 0 H GLY A 53 3.287 -11.826 -2.500 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.170 -11.951 -3.229 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.167 -13.590 -2.610 1.00 0.00 H new ATOM 801 N LYS A 54 0.680 -11.146 -0.475 1.00 0.00 N ATOM 802 CA LYS A 54 -0.185 -10.652 0.594 1.00 0.00 C ATOM 803 C LYS A 54 0.258 -9.264 1.039 1.00 0.00 C ATOM 804 O LYS A 54 1.427 -9.056 1.359 1.00 0.00 O ATOM 805 CB LYS A 54 -0.137 -11.592 1.802 1.00 0.00 C ATOM 806 CG LYS A 54 -0.708 -12.977 1.546 1.00 0.00 C ATOM 807 CD LYS A 54 -2.176 -12.913 1.158 1.00 0.00 C ATOM 808 CE LYS A 54 -2.732 -14.295 0.855 1.00 0.00 C ATOM 809 NZ LYS A 54 -2.629 -15.206 2.029 1.00 0.00 N ATOM 0 H LYS A 54 1.572 -10.657 -0.549 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.202 -10.607 0.205 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.899 -11.694 2.126 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.685 -11.133 2.625 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.142 -13.464 0.752 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.594 -13.590 2.440 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.748 -12.459 1.967 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.295 -12.272 0.284 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.776 -14.208 0.554 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.192 -14.727 0.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.194 -16.062 1.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.634 -15.472 2.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.987 -14.721 2.877 1.00 0.00 H new ATOM 823 N LEU A 55 -0.671 -8.316 1.072 1.00 0.00 N ATOM 824 CA LEU A 55 -0.342 -6.957 1.494 1.00 0.00 C ATOM 825 C LEU A 55 -1.476 -6.327 2.298 1.00 0.00 C ATOM 826 O LEU A 55 -2.645 -6.375 1.906 1.00 0.00 O ATOM 827 CB LEU A 55 -0.009 -6.068 0.288 1.00 0.00 C ATOM 828 CG LEU A 55 1.237 -6.467 -0.515 1.00 0.00 C ATOM 829 CD1 LEU A 55 2.432 -6.683 0.405 1.00 0.00 C ATOM 830 CD2 LEU A 55 0.963 -7.711 -1.351 1.00 0.00 C ATOM 0 H LEU A 55 -1.648 -8.459 0.815 1.00 0.00 H new ATOM 0 HA LEU A 55 0.537 -7.029 2.135 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.866 -6.066 -0.385 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.122 -5.045 0.640 1.00 0.00 H new ATOM 0 HG LEU A 55 1.480 -5.649 -1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.302 -6.965 -0.188 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.645 -5.762 0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.205 -7.477 1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.859 -7.977 -1.912 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.687 -8.537 -0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.146 -7.511 -2.045 1.00 0.00 H new ATOM 842 N VAL A 56 -1.107 -5.721 3.421 1.00 0.00 N ATOM 843 CA VAL A 56 -2.063 -5.058 4.296 1.00 0.00 C ATOM 844 C VAL A 56 -1.570 -3.660 4.651 1.00 0.00 C ATOM 845 O VAL A 56 -0.471 -3.498 5.184 1.00 0.00 O ATOM 846 CB VAL A 56 -2.291 -5.863 5.592 1.00 0.00 C ATOM 847 CG1 VAL A 56 -0.996 -5.995 6.382 1.00 0.00 C ATOM 848 CG2 VAL A 56 -3.377 -5.217 6.441 1.00 0.00 C ATOM 0 H VAL A 56 -0.142 -5.676 3.748 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.009 -4.990 3.759 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.623 -6.864 5.317 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.181 -6.566 7.292 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.251 -6.510 5.776 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.628 -5.003 6.645 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.523 -5.800 7.350 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.078 -4.202 6.704 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.309 -5.186 5.877 1.00 0.00 H new ATOM 858 N VAL A 57 -2.377 -2.652 4.341 1.00 0.00 N ATOM 859 CA VAL A 57 -2.006 -1.271 4.621 1.00 0.00 C ATOM 860 C VAL A 57 -2.621 -0.779 5.923 1.00 0.00 C ATOM 861 O VAL A 57 -3.768 -1.099 6.241 1.00 0.00 O ATOM 862 CB VAL A 57 -2.437 -0.328 3.484 1.00 0.00 C ATOM 863 CG1 VAL A 57 -1.896 1.075 3.714 1.00 0.00 C ATOM 864 CG2 VAL A 57 -1.983 -0.871 2.136 1.00 0.00 C ATOM 0 H VAL A 57 -3.289 -2.765 3.898 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.920 -1.258 4.708 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.526 -0.273 3.478 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.213 1.725 2.898 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.280 1.463 4.657 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.807 1.044 3.751 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.297 -0.190 1.345 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.897 -0.961 2.127 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.430 -1.851 1.970 1.00 0.00 H new ATOM 1094 N LYS A 73 0.250 7.625 -3.025 1.00 0.00 N ATOM 1095 CA LYS A 73 0.644 6.763 -4.136 1.00 0.00 C ATOM 1096 C LYS A 73 0.750 5.306 -3.696 1.00 0.00 C ATOM 1097 O LYS A 73 1.592 4.556 -4.193 1.00 0.00 O ATOM 1098 CB LYS A 73 1.978 7.243 -4.717 1.00 0.00 C ATOM 1099 CG LYS A 73 3.067 7.410 -3.669 1.00 0.00 C ATOM 1100 CD LYS A 73 4.318 8.057 -4.248 1.00 0.00 C ATOM 1101 CE LYS A 73 5.363 8.293 -3.170 1.00 0.00 C ATOM 1102 NZ LYS A 73 6.560 9.004 -3.695 1.00 0.00 N ATOM 0 HA LYS A 73 -0.126 6.822 -4.905 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.315 6.531 -5.470 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.823 8.195 -5.225 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.690 8.019 -2.848 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.322 6.436 -3.252 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.733 7.418 -5.028 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.056 9.005 -4.718 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.923 8.875 -2.360 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.668 7.336 -2.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.421 8.522 -3.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.537 9.002 -4.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.560 9.985 -3.351 1.00 0.00 H new ATOM 1116 N VAL A 74 -0.114 4.906 -2.764 1.00 0.00 N ATOM 1117 CA VAL A 74 -0.124 3.537 -2.262 1.00 0.00 C ATOM 1118 C VAL A 74 -1.236 2.720 -2.917 1.00 0.00 C ATOM 1119 O VAL A 74 -1.036 1.569 -3.301 1.00 0.00 O ATOM 1120 CB VAL A 74 -0.303 3.499 -0.731 1.00 0.00 C ATOM 1121 CG1 VAL A 74 -0.231 2.070 -0.211 1.00 0.00 C ATOM 1122 CG2 VAL A 74 0.739 4.376 -0.050 1.00 0.00 C ATOM 0 H VAL A 74 -0.816 5.513 -2.342 1.00 0.00 H new ATOM 0 HA VAL A 74 0.842 3.100 -2.516 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.291 3.893 -0.493 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.360 2.070 0.871 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.020 1.475 -0.671 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.739 1.640 -0.461 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.598 4.337 1.030 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.737 4.015 -0.298 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.629 5.405 -0.393 1.00 0.00 H new ATOM 1132 N LEU A 75 -2.412 3.332 -3.035 1.00 0.00 N ATOM 1133 CA LEU A 75 -3.571 2.678 -3.634 1.00 0.00 C ATOM 1134 C LEU A 75 -3.258 2.119 -5.024 1.00 0.00 C ATOM 1135 O LEU A 75 -3.572 0.965 -5.313 1.00 0.00 O ATOM 1136 CB LEU A 75 -4.741 3.660 -3.725 1.00 0.00 C ATOM 1137 CG LEU A 75 -6.017 3.091 -4.348 1.00 0.00 C ATOM 1138 CD1 LEU A 75 -6.525 1.909 -3.538 1.00 0.00 C ATOM 1139 CD2 LEU A 75 -7.086 4.170 -4.449 1.00 0.00 C ATOM 0 H LEU A 75 -2.587 4.287 -2.721 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.841 1.841 -2.990 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.973 4.019 -2.722 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.425 4.525 -4.308 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.784 2.742 -5.354 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.433 1.517 -3.996 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.764 1.129 -3.516 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.742 2.232 -2.520 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.987 3.749 -4.894 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.316 4.549 -3.453 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.721 4.987 -5.072 1.00 0.00 H new ATOM 1151 N PRO A 76 -2.642 2.926 -5.911 1.00 0.00 N ATOM 1152 CA PRO A 76 -2.304 2.498 -7.271 1.00 0.00 C ATOM 1153 C PRO A 76 -1.716 1.089 -7.317 1.00 0.00 C ATOM 1154 O PRO A 76 -2.032 0.306 -8.214 1.00 0.00 O ATOM 1155 CB PRO A 76 -1.267 3.535 -7.739 1.00 0.00 C ATOM 1156 CG PRO A 76 -1.037 4.449 -6.574 1.00 0.00 C ATOM 1157 CD PRO A 76 -2.235 4.315 -5.683 1.00 0.00 C ATOM 0 HA PRO A 76 -3.189 2.452 -7.906 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -0.340 3.049 -8.042 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -1.633 4.090 -8.603 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -0.126 4.177 -6.042 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -0.915 5.479 -6.908 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -1.987 4.499 -4.638 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.023 5.019 -5.952 1.00 0.00 H new ATOM 1165 N LEU A 77 -0.871 0.768 -6.345 1.00 0.00 N ATOM 1166 CA LEU A 77 -0.256 -0.553 -6.281 1.00 0.00 C ATOM 1167 C LEU A 77 -1.252 -1.589 -5.774 1.00 0.00 C ATOM 1168 O LEU A 77 -1.259 -2.732 -6.232 1.00 0.00 O ATOM 1169 CB LEU A 77 0.994 -0.530 -5.393 1.00 0.00 C ATOM 1170 CG LEU A 77 1.673 -1.888 -5.166 1.00 0.00 C ATOM 1171 CD1 LEU A 77 0.881 -2.734 -4.181 1.00 0.00 C ATOM 1172 CD2 LEU A 77 1.848 -2.629 -6.485 1.00 0.00 C ATOM 0 H LEU A 77 -0.597 1.401 -5.593 1.00 0.00 H new ATOM 0 HA LEU A 77 0.046 -0.833 -7.290 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.721 0.149 -5.838 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.721 -0.114 -4.423 1.00 0.00 H new ATOM 0 HG LEU A 77 2.659 -1.704 -4.740 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.383 -3.691 -4.037 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.813 -2.213 -3.226 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.122 -2.905 -4.573 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.331 -3.589 -6.302 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.872 -2.795 -6.941 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.466 -2.034 -7.157 1.00 0.00 H new ATOM 1184 N VAL A 78 -2.094 -1.182 -4.832 1.00 0.00 N ATOM 1185 CA VAL A 78 -3.098 -2.075 -4.269 1.00 0.00 C ATOM 1186 C VAL A 78 -3.973 -2.665 -5.371 1.00 0.00 C ATOM 1187 O VAL A 78 -4.381 -3.823 -5.300 1.00 0.00 O ATOM 1188 CB VAL A 78 -3.993 -1.344 -3.246 1.00 0.00 C ATOM 1189 CG1 VAL A 78 -5.006 -2.299 -2.636 1.00 0.00 C ATOM 1190 CG2 VAL A 78 -3.143 -0.695 -2.164 1.00 0.00 C ATOM 0 H VAL A 78 -2.101 -0.239 -4.442 1.00 0.00 H new ATOM 0 HA VAL A 78 -2.566 -2.877 -3.758 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.541 -0.560 -3.768 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.626 -1.762 -1.918 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.637 -2.711 -3.423 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.482 -3.109 -2.129 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.790 -0.184 -1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.566 -1.461 -1.646 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.463 0.026 -2.619 1.00 0.00 H new ATOM 1200 N GLU A 79 -4.252 -1.857 -6.389 1.00 0.00 N ATOM 1201 CA GLU A 79 -5.074 -2.295 -7.509 1.00 0.00 C ATOM 1202 C GLU A 79 -4.369 -3.390 -8.304 1.00 0.00 C ATOM 1203 O GLU A 79 -4.998 -4.352 -8.748 1.00 0.00 O ATOM 1204 CB GLU A 79 -5.400 -1.112 -8.425 1.00 0.00 C ATOM 1205 CG GLU A 79 -6.271 -1.484 -9.615 1.00 0.00 C ATOM 1206 CD GLU A 79 -7.611 -2.059 -9.198 1.00 0.00 C ATOM 1207 OE1 GLU A 79 -8.372 -1.351 -8.506 1.00 0.00 O ATOM 1208 OE2 GLU A 79 -7.900 -3.217 -9.564 1.00 0.00 O ATOM 0 H GLU A 79 -3.920 -0.895 -6.460 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.003 -2.701 -7.109 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.905 -0.341 -7.843 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.469 -0.678 -8.789 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.435 -0.600 -10.231 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.744 -2.211 -10.233 1.00 0.00 H new ATOM 1215 N ALA A 80 -3.062 -3.237 -8.476 1.00 0.00 N ATOM 1216 CA ALA A 80 -2.266 -4.211 -9.213 1.00 0.00 C ATOM 1217 C ALA A 80 -2.349 -5.587 -8.569 1.00 0.00 C ATOM 1218 O ALA A 80 -2.512 -6.597 -9.252 1.00 0.00 O ATOM 1219 CB ALA A 80 -0.816 -3.757 -9.287 1.00 0.00 C ATOM 0 H ALA A 80 -2.529 -2.446 -8.114 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.671 -4.282 -10.223 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.232 -4.493 -9.840 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.762 -2.794 -9.795 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.414 -3.658 -8.279 1.00 0.00 H new ATOM 1225 N LEU A 81 -2.225 -5.618 -7.248 1.00 0.00 N ATOM 1226 CA LEU A 81 -2.275 -6.867 -6.500 1.00 0.00 C ATOM 1227 C LEU A 81 -3.609 -7.575 -6.705 1.00 0.00 C ATOM 1228 O LEU A 81 -3.650 -8.772 -6.992 1.00 0.00 O ATOM 1229 CB LEU A 81 -2.055 -6.590 -5.015 1.00 0.00 C ATOM 1230 CG LEU A 81 -0.859 -5.692 -4.693 1.00 0.00 C ATOM 1231 CD1 LEU A 81 -0.656 -5.587 -3.190 1.00 0.00 C ATOM 1232 CD2 LEU A 81 0.399 -6.212 -5.373 1.00 0.00 C ATOM 0 H LEU A 81 -2.088 -4.788 -6.671 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.484 -7.519 -6.869 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.956 -6.129 -4.610 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.925 -7.541 -4.499 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.066 -4.693 -5.078 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.199 -4.944 -2.982 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.549 -5.163 -2.731 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.473 -6.579 -2.777 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.239 -5.560 -5.132 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.611 -7.222 -5.022 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.249 -6.227 -6.453 1.00 0.00 H new ATOM 1244 N ARG A 82 -4.699 -6.828 -6.559 1.00 0.00 N ATOM 1245 CA ARG A 82 -6.036 -7.387 -6.731 1.00 0.00 C ATOM 1246 C ARG A 82 -6.199 -7.971 -8.129 1.00 0.00 C ATOM 1247 O ARG A 82 -6.745 -9.061 -8.300 1.00 0.00 O ATOM 1248 CB ARG A 82 -7.096 -6.311 -6.484 1.00 0.00 C ATOM 1249 CG ARG A 82 -7.040 -5.710 -5.089 1.00 0.00 C ATOM 1250 CD ARG A 82 -8.117 -4.654 -4.894 1.00 0.00 C ATOM 1251 NE ARG A 82 -9.462 -5.209 -5.038 1.00 0.00 N ATOM 1252 CZ ARG A 82 -9.995 -6.093 -4.197 1.00 0.00 C ATOM 1253 NH1 ARG A 82 -9.322 -6.491 -3.124 1.00 0.00 N ATOM 1254 NH2 ARG A 82 -11.213 -6.569 -4.422 1.00 0.00 N ATOM 0 H ARG A 82 -4.683 -5.836 -6.322 1.00 0.00 H new ATOM 0 HA ARG A 82 -6.169 -8.188 -6.004 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -6.972 -5.515 -7.219 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -8.084 -6.742 -6.645 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -7.163 -6.499 -4.347 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -6.059 -5.266 -4.922 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -8.013 -4.209 -3.905 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -7.976 -3.854 -5.620 1.00 0.00 H new ATOM 0 HE ARG A 82 -10.026 -4.901 -5.830 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -8.390 -6.119 -2.939 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -9.737 -7.168 -2.484 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -11.739 -6.258 -5.238 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -11.623 -7.246 -3.779 1.00 0.00 H new ATOM 1268 N ALA A 83 -5.719 -7.238 -9.128 1.00 0.00 N ATOM 1269 CA ALA A 83 -5.804 -7.681 -10.512 1.00 0.00 C ATOM 1270 C ALA A 83 -5.079 -9.008 -10.708 1.00 0.00 C ATOM 1271 O ALA A 83 -5.539 -9.875 -11.450 1.00 0.00 O ATOM 1272 CB ALA A 83 -5.232 -6.622 -11.442 1.00 0.00 C ATOM 0 H ALA A 83 -5.266 -6.333 -9.003 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.856 -7.832 -10.756 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.302 -6.967 -12.473 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.796 -5.696 -11.330 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.187 -6.443 -11.190 1.00 0.00 H new ATOM 1278 N ARG A 84 -3.940 -9.159 -10.036 1.00 0.00 N ATOM 1279 CA ARG A 84 -3.147 -10.381 -10.138 1.00 0.00 C ATOM 1280 C ARG A 84 -3.654 -11.465 -9.183 1.00 0.00 C ATOM 1281 O ARG A 84 -2.939 -12.423 -8.889 1.00 0.00 O ATOM 1282 CB ARG A 84 -1.677 -10.079 -9.844 1.00 0.00 C ATOM 1283 CG ARG A 84 -1.073 -9.037 -10.772 1.00 0.00 C ATOM 1284 CD ARG A 84 0.380 -8.756 -10.424 1.00 0.00 C ATOM 1285 NE ARG A 84 1.219 -9.945 -10.561 1.00 0.00 N ATOM 1286 CZ ARG A 84 1.481 -10.541 -11.723 1.00 0.00 C ATOM 1287 NH1 ARG A 84 1.009 -10.038 -12.856 1.00 0.00 N ATOM 1288 NH2 ARG A 84 2.228 -11.636 -11.750 1.00 0.00 N ATOM 0 H ARG A 84 -3.546 -8.451 -9.416 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.247 -10.756 -11.157 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.584 -9.734 -8.814 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.102 -11.002 -9.924 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.141 -9.384 -11.803 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.649 -8.114 -10.708 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.761 -7.967 -11.072 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.442 -8.385 -9.401 1.00 0.00 H new ATOM 0 HE ARG A 84 1.629 -10.342 -9.716 1.00 0.00 H new ATOM 0 HH11 ARG A 84 0.442 -9.190 -12.841 1.00 0.00 H new ATOM 0 HH12 ARG A 84 1.213 -10.499 -13.743 1.00 0.00 H new ATOM 0 HH21 ARG A 84 2.601 -12.021 -10.882 1.00 0.00 H new ATOM 0 HH22 ARG A 84 2.430 -12.094 -12.639 1.00 0.00 H new ATOM 1302 N GLY A 85 -4.886 -11.314 -8.702 1.00 0.00 N ATOM 1303 CA GLY A 85 -5.453 -12.291 -7.793 1.00 0.00 C ATOM 1304 C GLY A 85 -4.702 -12.359 -6.481 1.00 0.00 C ATOM 1305 O GLY A 85 -4.535 -13.434 -5.905 1.00 0.00 O ATOM 0 H GLY A 85 -5.500 -10.531 -8.927 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.496 -12.041 -7.599 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.443 -13.273 -8.266 1.00 0.00 H new ATOM 1309 N VAL A 86 -4.250 -11.204 -6.007 1.00 0.00 N ATOM 1310 CA VAL A 86 -3.513 -11.130 -4.750 1.00 0.00 C ATOM 1311 C VAL A 86 -4.372 -10.510 -3.649 1.00 0.00 C ATOM 1312 O VAL A 86 -5.017 -9.483 -3.857 1.00 0.00 O ATOM 1313 CB VAL A 86 -2.219 -10.308 -4.906 1.00 0.00 C ATOM 1314 CG1 VAL A 86 -1.431 -10.291 -3.604 1.00 0.00 C ATOM 1315 CG2 VAL A 86 -1.371 -10.860 -6.042 1.00 0.00 C ATOM 0 H VAL A 86 -4.380 -10.306 -6.473 1.00 0.00 H new ATOM 0 HA VAL A 86 -3.251 -12.151 -4.472 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.492 -9.281 -5.150 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.521 -9.705 -3.737 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.039 -9.844 -2.817 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.168 -11.311 -3.325 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.461 -10.267 -6.138 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.108 -11.896 -5.830 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.935 -10.812 -6.974 1.00 0.00 H new ATOM 1325 N GLU A 87 -4.373 -11.142 -2.480 1.00 0.00 N ATOM 1326 CA GLU A 87 -5.152 -10.649 -1.349 1.00 0.00 C ATOM 1327 C GLU A 87 -4.587 -9.329 -0.832 1.00 0.00 C ATOM 1328 O GLU A 87 -3.380 -9.201 -0.622 1.00 0.00 O ATOM 1329 CB GLU A 87 -5.169 -11.681 -0.221 1.00 0.00 C ATOM 1330 CG GLU A 87 -5.742 -13.027 -0.632 1.00 0.00 C ATOM 1331 CD GLU A 87 -7.196 -12.944 -1.056 1.00 0.00 C ATOM 1332 OE1 GLU A 87 -7.770 -11.836 -1.004 1.00 0.00 O ATOM 1333 OE2 GLU A 87 -7.764 -13.990 -1.437 1.00 0.00 O ATOM 0 H GLU A 87 -3.845 -11.994 -2.291 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.172 -10.480 -1.693 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.152 -11.825 0.143 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.752 -11.287 0.611 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.152 -13.432 -1.454 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.651 -13.725 0.200 1.00 0.00 H new ATOM 1340 N VAL A 88 -5.468 -8.356 -0.628 1.00 0.00 N ATOM 1341 CA VAL A 88 -5.067 -7.043 -0.136 1.00 0.00 C ATOM 1342 C VAL A 88 -6.244 -6.334 0.521 1.00 0.00 C ATOM 1343 O VAL A 88 -7.382 -6.456 0.069 1.00 0.00 O ATOM 1344 CB VAL A 88 -4.519 -6.156 -1.273 1.00 0.00 C ATOM 1345 CG1 VAL A 88 -4.011 -4.829 -0.727 1.00 0.00 C ATOM 1346 CG2 VAL A 88 -3.421 -6.878 -2.035 1.00 0.00 C ATOM 0 H VAL A 88 -6.469 -8.453 -0.797 1.00 0.00 H new ATOM 0 HA VAL A 88 -4.277 -7.203 0.598 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.335 -5.948 -1.965 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.629 -4.220 -1.547 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -4.828 -4.302 -0.233 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.212 -5.013 -0.009 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.048 -6.235 -2.832 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.605 -7.122 -1.354 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.820 -7.796 -2.466 1.00 0.00 H new ATOM 1356 N GLU A 89 -5.971 -5.599 1.593 1.00 0.00 N ATOM 1357 CA GLU A 89 -7.026 -4.884 2.303 1.00 0.00 C ATOM 1358 C GLU A 89 -6.466 -3.815 3.235 1.00 0.00 C ATOM 1359 O GLU A 89 -5.462 -4.028 3.917 1.00 0.00 O ATOM 1360 CB GLU A 89 -7.883 -5.869 3.104 1.00 0.00 C ATOM 1361 CG GLU A 89 -7.097 -6.647 4.147 1.00 0.00 C ATOM 1362 CD GLU A 89 -7.965 -7.615 4.927 1.00 0.00 C ATOM 1363 OE1 GLU A 89 -8.923 -7.157 5.585 1.00 0.00 O ATOM 1364 OE2 GLU A 89 -7.687 -8.831 4.881 1.00 0.00 O ATOM 0 H GLU A 89 -5.037 -5.483 1.987 1.00 0.00 H new ATOM 0 HA GLU A 89 -7.640 -4.384 1.554 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.685 -5.322 3.599 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.354 -6.572 2.416 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.295 -7.198 3.656 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.627 -5.948 4.838 1.00 0.00 H new ATOM 1371 N LEU A 90 -7.134 -2.666 3.263 1.00 0.00 N ATOM 1372 CA LEU A 90 -6.722 -1.556 4.117 1.00 0.00 C ATOM 1373 C LEU A 90 -7.210 -1.787 5.545 1.00 0.00 C ATOM 1374 O LEU A 90 -8.412 -1.894 5.784 1.00 0.00 O ATOM 1375 CB LEU A 90 -7.285 -0.232 3.586 1.00 0.00 C ATOM 1376 CG LEU A 90 -6.873 0.145 2.158 1.00 0.00 C ATOM 1377 CD1 LEU A 90 -5.361 0.183 2.026 1.00 0.00 C ATOM 1378 CD2 LEU A 90 -7.473 -0.823 1.148 1.00 0.00 C ATOM 0 H LEU A 90 -7.965 -2.479 2.703 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.633 -1.502 4.112 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.373 -0.279 3.629 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.973 0.568 4.257 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.260 1.142 1.948 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.092 0.453 1.005 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.954 0.922 2.716 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.950 -0.799 2.263 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.167 -0.535 0.142 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -7.122 -1.833 1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -8.560 -0.795 1.218 1.00 0.00 H new