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+ -170:sc= -0.0292 (180deg=-0.169) USER MOD Single : A 35 THR OG1 : rot 114:sc= 1.12 USER MOD Single : A 54 LYS NZ :NH3+ 167:sc= -0.0408 (180deg=-0.255) USER MOD Single : A 73 LYS NZ :NH3+ 140:sc= -2.33! (180deg=-5.94!) USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 1.505 -15.742 5.990 1.00 0.00 N ATOM 19 CA ARG A 2 2.440 -14.627 5.879 1.00 0.00 C ATOM 20 C ARG A 2 1.762 -13.441 5.200 1.00 0.00 C ATOM 21 O ARG A 2 1.116 -13.600 4.166 1.00 0.00 O ATOM 22 CB ARG A 2 3.667 -15.061 5.073 1.00 0.00 C ATOM 23 CG ARG A 2 4.854 -14.122 5.202 1.00 0.00 C ATOM 24 CD ARG A 2 5.421 -14.141 6.612 1.00 0.00 C ATOM 25 NE ARG A 2 6.656 -13.365 6.721 1.00 0.00 N ATOM 26 CZ ARG A 2 7.791 -13.686 6.105 1.00 0.00 C ATOM 27 NH1 ARG A 2 7.870 -14.792 5.373 1.00 0.00 N ATOM 28 NH2 ARG A 2 8.857 -12.908 6.234 1.00 0.00 N ATOM 0 HA ARG A 2 2.756 -14.326 6.878 1.00 0.00 H new ATOM 0 HB2 ARG A 2 3.968 -16.057 5.397 1.00 0.00 H new ATOM 0 HB3 ARG A 2 3.390 -15.138 4.022 1.00 0.00 H new ATOM 0 HG2 ARG A 2 5.629 -14.412 4.492 1.00 0.00 H new ATOM 0 HG3 ARG A 2 4.548 -13.108 4.944 1.00 0.00 H new ATOM 0 HD2 ARG A 2 4.681 -13.742 7.305 1.00 0.00 H new ATOM 0 HD3 ARG A 2 5.614 -15.171 6.910 1.00 0.00 H new ATOM 0 HE ARG A 2 6.647 -12.528 7.304 1.00 0.00 H new ATOM 0 HH11 ARG A 2 7.057 -15.401 5.280 1.00 0.00 H new ATOM 0 HH12 ARG A 2 8.743 -15.032 4.904 1.00 0.00 H new ATOM 0 HH21 ARG A 2 8.807 -12.064 6.805 1.00 0.00 H new ATOM 0 HH22 ARG A 2 9.727 -13.153 5.762 1.00 0.00 H new ATOM 42 N VAL A 3 1.897 -12.251 5.780 1.00 0.00 N ATOM 43 CA VAL A 3 1.275 -11.061 5.206 1.00 0.00 C ATOM 44 C VAL A 3 2.238 -9.879 5.170 1.00 0.00 C ATOM 45 O VAL A 3 2.994 -9.646 6.114 1.00 0.00 O ATOM 46 CB VAL A 3 -0.003 -10.658 5.976 1.00 0.00 C ATOM 47 CG1 VAL A 3 0.325 -10.212 7.395 1.00 0.00 C ATOM 48 CG2 VAL A 3 -0.754 -9.569 5.226 1.00 0.00 C ATOM 0 H VAL A 3 2.425 -12.086 6.637 1.00 0.00 H new ATOM 0 HA VAL A 3 1.003 -11.321 4.183 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.646 -11.535 6.046 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.594 -9.935 7.911 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.810 -11.029 7.930 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.995 -9.353 7.361 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.651 -9.297 5.782 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.114 -8.693 5.119 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.036 -9.935 4.239 1.00 0.00 H new ATOM 58 N GLY A 4 2.197 -9.129 4.072 1.00 0.00 N ATOM 59 CA GLY A 4 3.058 -7.971 3.922 1.00 0.00 C ATOM 60 C GLY A 4 2.433 -6.714 4.496 1.00 0.00 C ATOM 61 O GLY A 4 1.232 -6.494 4.353 1.00 0.00 O ATOM 0 H GLY A 4 1.579 -9.305 3.280 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.009 -8.161 4.419 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.275 -7.817 2.865 1.00 0.00 H new ATOM 65 N ALA A 5 3.245 -5.887 5.149 1.00 0.00 N ATOM 66 CA ALA A 5 2.754 -4.650 5.746 1.00 0.00 C ATOM 67 C ALA A 5 3.555 -3.445 5.259 1.00 0.00 C ATOM 68 O ALA A 5 4.782 -3.495 5.174 1.00 0.00 O ATOM 69 CB ALA A 5 2.806 -4.740 7.263 1.00 0.00 C ATOM 0 H ALA A 5 4.243 -6.051 5.278 1.00 0.00 H new ATOM 0 HA ALA A 5 1.718 -4.514 5.434 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.437 -3.810 7.696 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.184 -5.569 7.600 1.00 0.00 H new ATOM 0 HB3 ALA A 5 3.835 -4.905 7.583 1.00 0.00 H new ATOM 75 N LEU A 6 2.850 -2.364 4.939 1.00 0.00 N ATOM 76 CA LEU A 6 3.488 -1.143 4.460 1.00 0.00 C ATOM 77 C LEU A 6 3.079 0.059 5.305 1.00 0.00 C ATOM 78 O LEU A 6 1.932 0.166 5.740 1.00 0.00 O ATOM 79 CB LEU A 6 3.133 -0.895 2.992 1.00 0.00 C ATOM 80 CG LEU A 6 3.681 -1.928 2.008 1.00 0.00 C ATOM 81 CD1 LEU A 6 3.219 -1.614 0.594 1.00 0.00 C ATOM 82 CD2 LEU A 6 5.202 -1.972 2.075 1.00 0.00 C ATOM 0 H LEU A 6 1.833 -2.309 5.003 1.00 0.00 H new ATOM 0 HA LEU A 6 4.567 -1.273 4.548 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.048 -0.866 2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.505 0.089 2.706 1.00 0.00 H new ATOM 0 HG LEU A 6 3.295 -2.909 2.286 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.619 -2.360 -0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.130 -1.631 0.555 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.577 -0.626 0.305 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.576 -2.713 1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.606 -0.992 1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.514 -2.243 3.084 1.00 0.00 H new ATOM 94 N ASP A 7 4.030 0.960 5.535 1.00 0.00 N ATOM 95 CA ASP A 7 3.779 2.159 6.328 1.00 0.00 C ATOM 96 C ASP A 7 4.577 3.337 5.787 1.00 0.00 C ATOM 97 O ASP A 7 5.729 3.184 5.393 1.00 0.00 O ATOM 98 CB ASP A 7 4.146 1.914 7.792 1.00 0.00 C ATOM 99 CG ASP A 7 5.592 1.498 7.963 1.00 0.00 C ATOM 100 OD1 ASP A 7 5.962 0.421 7.452 1.00 0.00 O ATOM 101 OD2 ASP A 7 6.354 2.248 8.611 1.00 0.00 O ATOM 0 H ASP A 7 4.984 0.882 5.182 1.00 0.00 H new ATOM 0 HA ASP A 7 2.717 2.395 6.261 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.962 2.822 8.367 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.497 1.140 8.202 1.00 0.00 H new ATOM 106 N VAL A 8 3.956 4.513 5.771 1.00 0.00 N ATOM 107 CA VAL A 8 4.612 5.718 5.277 1.00 0.00 C ATOM 108 C VAL A 8 4.862 6.718 6.404 1.00 0.00 C ATOM 109 O VAL A 8 3.979 6.981 7.219 1.00 0.00 O ATOM 110 CB VAL A 8 3.776 6.401 4.176 1.00 0.00 C ATOM 111 CG1 VAL A 8 3.612 5.477 2.980 1.00 0.00 C ATOM 112 CG2 VAL A 8 2.419 6.824 4.720 1.00 0.00 C ATOM 0 H VAL A 8 2.999 4.656 6.095 1.00 0.00 H new ATOM 0 HA VAL A 8 5.568 5.405 4.858 1.00 0.00 H new ATOM 0 HB VAL A 8 4.305 7.295 3.847 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.019 5.976 2.213 1.00 0.00 H new ATOM 0 HG12 VAL A 8 4.593 5.228 2.575 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.106 4.564 3.293 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.843 7.304 3.929 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.881 5.946 5.079 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.559 7.525 5.543 1.00 0.00 H new ATOM 122 N GLY A 9 6.071 7.272 6.442 1.00 0.00 N ATOM 123 CA GLY A 9 6.410 8.237 7.471 1.00 0.00 C ATOM 124 C GLY A 9 7.807 8.804 7.310 1.00 0.00 C ATOM 125 O GLY A 9 8.766 8.060 7.100 1.00 0.00 O ATOM 0 H GLY A 9 6.820 7.070 5.780 1.00 0.00 H new ATOM 0 HA2 GLY A 9 5.687 9.053 7.449 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.326 7.763 8.449 1.00 0.00 H new ATOM 129 N GLU A 10 7.921 10.125 7.412 1.00 0.00 N ATOM 130 CA GLU A 10 9.208 10.801 7.281 1.00 0.00 C ATOM 131 C GLU A 10 9.866 10.485 5.945 1.00 0.00 C ATOM 132 O GLU A 10 11.040 10.122 5.882 1.00 0.00 O ATOM 133 CB GLU A 10 10.138 10.412 8.434 1.00 0.00 C ATOM 134 CG GLU A 10 9.591 10.775 9.805 1.00 0.00 C ATOM 135 CD GLU A 10 10.529 10.383 10.930 1.00 0.00 C ATOM 136 OE1 GLU A 10 10.829 9.178 11.059 1.00 0.00 O ATOM 137 OE2 GLU A 10 10.962 11.282 11.680 1.00 0.00 O ATOM 0 H GLU A 10 7.134 10.751 7.586 1.00 0.00 H new ATOM 0 HA GLU A 10 9.025 11.875 7.322 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.319 9.338 8.397 1.00 0.00 H new ATOM 0 HB3 GLU A 10 11.101 10.903 8.295 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.409 11.849 9.847 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.630 10.283 9.950 1.00 0.00 H new ATOM 144 N ALA A 11 9.094 10.634 4.878 1.00 0.00 N ATOM 145 CA ALA A 11 9.582 10.377 3.533 1.00 0.00 C ATOM 146 C ALA A 11 10.221 8.997 3.426 1.00 0.00 C ATOM 147 O ALA A 11 11.176 8.798 2.675 1.00 0.00 O ATOM 148 CB ALA A 11 10.574 11.454 3.116 1.00 0.00 C ATOM 0 H ALA A 11 8.120 10.934 4.920 1.00 0.00 H new ATOM 0 HA ALA A 11 8.727 10.401 2.857 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.931 11.249 2.107 1.00 0.00 H new ATOM 0 HB2 ALA A 11 10.084 12.427 3.137 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.418 11.458 3.806 1.00 0.00 H new ATOM 154 N ARG A 12 9.685 8.045 4.181 1.00 0.00 N ATOM 155 CA ARG A 12 10.203 6.682 4.178 1.00 0.00 C ATOM 156 C ARG A 12 9.079 5.681 4.417 1.00 0.00 C ATOM 157 O ARG A 12 8.197 5.908 5.245 1.00 0.00 O ATOM 158 CB ARG A 12 11.273 6.523 5.261 1.00 0.00 C ATOM 159 CG ARG A 12 11.889 5.132 5.311 1.00 0.00 C ATOM 160 CD ARG A 12 12.779 4.847 4.106 1.00 0.00 C ATOM 161 NE ARG A 12 14.073 5.526 4.194 1.00 0.00 N ATOM 162 CZ ARG A 12 14.283 6.797 3.854 1.00 0.00 C ATOM 163 NH1 ARG A 12 13.316 7.517 3.302 1.00 0.00 N ATOM 164 NH2 ARG A 12 15.477 7.342 4.042 1.00 0.00 N ATOM 0 H ARG A 12 8.891 8.192 4.804 1.00 0.00 H new ATOM 0 HA ARG A 12 10.647 6.486 3.202 1.00 0.00 H new ATOM 0 HB2 ARG A 12 12.063 7.255 5.090 1.00 0.00 H new ATOM 0 HB3 ARG A 12 10.832 6.751 6.231 1.00 0.00 H new ATOM 0 HG2 ARG A 12 12.475 5.030 6.224 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.095 4.387 5.357 1.00 0.00 H new ATOM 0 HD2 ARG A 12 12.941 3.772 4.024 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.267 5.163 3.197 1.00 0.00 H new ATOM 0 HE ARG A 12 14.869 4.989 4.539 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.401 7.099 3.134 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.487 8.489 3.045 1.00 0.00 H new ATOM 0 HH21 ARG A 12 16.232 6.788 4.446 1.00 0.00 H new ATOM 0 HH22 ARG A 12 15.640 8.315 3.782 1.00 0.00 H new ATOM 178 N ILE A 13 9.122 4.567 3.694 1.00 0.00 N ATOM 179 CA ILE A 13 8.112 3.530 3.839 1.00 0.00 C ATOM 180 C ILE A 13 8.683 2.323 4.579 1.00 0.00 C ATOM 181 O ILE A 13 9.746 1.814 4.219 1.00 0.00 O ATOM 182 CB ILE A 13 7.564 3.082 2.466 1.00 0.00 C ATOM 183 CG1 ILE A 13 6.966 4.276 1.721 1.00 0.00 C ATOM 184 CG2 ILE A 13 6.523 1.983 2.636 1.00 0.00 C ATOM 185 CD1 ILE A 13 6.411 3.921 0.357 1.00 0.00 C ATOM 0 H ILE A 13 9.844 4.361 3.004 1.00 0.00 H new ATOM 0 HA ILE A 13 7.291 3.953 4.418 1.00 0.00 H new ATOM 0 HB ILE A 13 8.389 2.681 1.877 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.170 4.710 2.326 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.732 5.042 1.604 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.149 1.681 1.658 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.977 1.125 3.131 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.696 2.355 3.241 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.003 4.815 -0.114 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.208 3.514 -0.266 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.622 3.177 0.468 1.00 0.00 H new ATOM 197 N GLY A 14 7.985 1.872 5.618 1.00 0.00 N ATOM 198 CA GLY A 14 8.459 0.733 6.381 1.00 0.00 C ATOM 199 C GLY A 14 8.011 -0.593 5.798 1.00 0.00 C ATOM 200 O GLY A 14 6.834 -0.777 5.486 1.00 0.00 O ATOM 0 H GLY A 14 7.105 2.273 5.943 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.548 0.757 6.422 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.099 0.814 7.407 1.00 0.00 H new ATOM 204 N LEU A 15 8.952 -1.522 5.656 1.00 0.00 N ATOM 205 CA LEU A 15 8.644 -2.842 5.116 1.00 0.00 C ATOM 206 C LEU A 15 8.560 -3.877 6.229 1.00 0.00 C ATOM 207 O LEU A 15 9.450 -3.968 7.076 1.00 0.00 O ATOM 208 CB LEU A 15 9.699 -3.263 4.092 1.00 0.00 C ATOM 209 CG LEU A 15 9.768 -2.390 2.839 1.00 0.00 C ATOM 210 CD1 LEU A 15 10.870 -2.875 1.910 1.00 0.00 C ATOM 211 CD2 LEU A 15 8.425 -2.389 2.122 1.00 0.00 C ATOM 0 H LEU A 15 9.931 -1.386 5.907 1.00 0.00 H new ATOM 0 HA LEU A 15 7.675 -2.784 4.621 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.676 -3.256 4.575 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.500 -4.291 3.790 1.00 0.00 H new ATOM 0 HG LEU A 15 10.001 -1.369 3.140 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.904 -2.241 1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 15 11.829 -2.828 2.427 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.669 -3.904 1.613 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.488 -1.763 1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.166 -3.407 1.832 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.657 -1.995 2.788 1.00 0.00 H new ATOM 223 N ALA A 16 7.485 -4.653 6.224 1.00 0.00 N ATOM 224 CA ALA A 16 7.278 -5.680 7.235 1.00 0.00 C ATOM 225 C ALA A 16 6.478 -6.844 6.667 1.00 0.00 C ATOM 226 O ALA A 16 5.629 -6.658 5.796 1.00 0.00 O ATOM 227 CB ALA A 16 6.573 -5.092 8.450 1.00 0.00 C ATOM 0 H ALA A 16 6.741 -4.590 5.529 1.00 0.00 H new ATOM 0 HA ALA A 16 8.253 -6.056 7.546 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.425 -5.871 9.197 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.183 -4.294 8.874 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.606 -4.689 8.150 1.00 0.00 H new ATOM 233 N VAL A 17 6.755 -8.044 7.161 1.00 0.00 N ATOM 234 CA VAL A 17 6.057 -9.233 6.695 1.00 0.00 C ATOM 235 C VAL A 17 5.961 -10.280 7.799 1.00 0.00 C ATOM 236 O VAL A 17 6.973 -10.715 8.350 1.00 0.00 O ATOM 237 CB VAL A 17 6.765 -9.851 5.471 1.00 0.00 C ATOM 238 CG1 VAL A 17 5.986 -11.047 4.939 1.00 0.00 C ATOM 239 CG2 VAL A 17 6.956 -8.805 4.382 1.00 0.00 C ATOM 0 H VAL A 17 7.456 -8.218 7.882 1.00 0.00 H new ATOM 0 HA VAL A 17 5.053 -8.923 6.407 1.00 0.00 H new ATOM 0 HB VAL A 17 7.747 -10.203 5.787 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.505 -11.465 4.077 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.907 -11.806 5.718 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.987 -10.728 4.641 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.457 -9.258 3.526 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.984 -8.421 4.072 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.564 -7.986 4.767 1.00 0.00 H new ATOM 249 N GLY A 18 4.734 -10.679 8.115 1.00 0.00 N ATOM 250 CA GLY A 18 4.516 -11.674 9.148 1.00 0.00 C ATOM 251 C GLY A 18 3.045 -11.974 9.354 1.00 0.00 C ATOM 252 O GLY A 18 2.247 -11.877 8.422 1.00 0.00 O ATOM 0 H GLY A 18 3.884 -10.330 7.672 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.038 -12.593 8.881 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.948 -11.323 10.085 1.00 0.00 H new ATOM 370 N ARG A 28 11.089 -5.714 8.434 1.00 0.00 N ATOM 371 CA ARG A 28 11.746 -6.492 7.390 1.00 0.00 C ATOM 372 C ARG A 28 12.724 -5.624 6.603 1.00 0.00 C ATOM 373 O ARG A 28 13.828 -6.058 6.272 1.00 0.00 O ATOM 374 CB ARG A 28 10.708 -7.103 6.447 1.00 0.00 C ATOM 375 CG ARG A 28 11.311 -7.980 5.361 1.00 0.00 C ATOM 376 CD ARG A 28 12.128 -9.117 5.956 1.00 0.00 C ATOM 377 NE ARG A 28 12.721 -9.967 4.925 1.00 0.00 N ATOM 378 CZ ARG A 28 12.015 -10.739 4.100 1.00 0.00 C ATOM 379 NH1 ARG A 28 10.695 -10.807 4.209 1.00 0.00 N ATOM 380 NH2 ARG A 28 12.634 -11.456 3.173 1.00 0.00 N ATOM 0 HA ARG A 28 12.305 -7.297 7.867 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.004 -7.695 7.031 1.00 0.00 H new ATOM 0 HB3 ARG A 28 10.138 -6.300 5.979 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.516 -8.389 4.738 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.945 -7.375 4.713 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.918 -8.705 6.584 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.491 -9.722 6.601 1.00 0.00 H new ATOM 0 HE ARG A 28 13.737 -9.969 4.832 1.00 0.00 H new ATOM 0 HH11 ARG A 28 10.214 -10.266 4.928 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.161 -11.400 3.574 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.650 -11.416 3.092 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.094 -12.047 2.541 1.00 0.00 H new ATOM 394 N GLY A 29 12.313 -4.393 6.313 1.00 0.00 N ATOM 395 CA GLY A 29 13.165 -3.480 5.573 1.00 0.00 C ATOM 396 C GLY A 29 12.599 -2.073 5.519 1.00 0.00 C ATOM 397 O GLY A 29 11.995 -1.606 6.485 1.00 0.00 O ATOM 0 H GLY A 29 11.405 -4.012 6.578 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.152 -3.454 6.035 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.298 -3.854 4.558 1.00 0.00 H new ATOM 401 N TYR A 30 12.795 -1.394 4.391 1.00 0.00 N ATOM 402 CA TYR A 30 12.299 -0.031 4.223 1.00 0.00 C ATOM 403 C TYR A 30 12.657 0.526 2.847 1.00 0.00 C ATOM 404 O TYR A 30 13.675 0.155 2.263 1.00 0.00 O ATOM 405 CB TYR A 30 12.853 0.881 5.324 1.00 0.00 C ATOM 406 CG TYR A 30 14.364 0.880 5.419 1.00 0.00 C ATOM 407 CD1 TYR A 30 15.152 1.346 4.372 1.00 0.00 C ATOM 408 CD2 TYR A 30 15.002 0.421 6.564 1.00 0.00 C ATOM 409 CE1 TYR A 30 16.531 1.348 4.464 1.00 0.00 C ATOM 410 CE2 TYR A 30 16.381 0.422 6.663 1.00 0.00 C ATOM 411 CZ TYR A 30 17.140 0.884 5.611 1.00 0.00 C ATOM 412 OH TYR A 30 18.512 0.887 5.705 1.00 0.00 O ATOM 0 H TYR A 30 13.293 -1.765 3.582 1.00 0.00 H new ATOM 0 HA TYR A 30 11.212 -0.061 4.302 1.00 0.00 H new ATOM 0 HB2 TYR A 30 12.511 1.900 5.144 1.00 0.00 H new ATOM 0 HB3 TYR A 30 12.438 0.570 6.283 1.00 0.00 H new ATOM 0 HD1 TYR A 30 14.679 1.712 3.473 1.00 0.00 H new ATOM 0 HD2 TYR A 30 14.411 0.057 7.391 1.00 0.00 H new ATOM 0 HE1 TYR A 30 17.129 1.711 3.641 1.00 0.00 H new ATOM 0 HE2 TYR A 30 16.861 0.062 7.561 1.00 0.00 H new ATOM 0 HH TYR A 30 18.781 0.530 6.577 1.00 0.00 H new ATOM 422 N LEU A 31 11.816 1.423 2.338 1.00 0.00 N ATOM 423 CA LEU A 31 12.044 2.038 1.035 1.00 0.00 C ATOM 424 C LEU A 31 11.623 3.505 1.050 1.00 0.00 C ATOM 425 O LEU A 31 10.560 3.851 1.566 1.00 0.00 O ATOM 426 CB LEU A 31 11.285 1.289 -0.067 1.00 0.00 C ATOM 427 CG LEU A 31 9.763 1.246 0.096 1.00 0.00 C ATOM 428 CD1 LEU A 31 9.110 0.694 -1.161 1.00 0.00 C ATOM 429 CD2 LEU A 31 9.379 0.405 1.304 1.00 0.00 C ATOM 0 H LEU A 31 10.969 1.740 2.810 1.00 0.00 H new ATOM 0 HA LEU A 31 13.111 1.979 0.823 1.00 0.00 H new ATOM 0 HB2 LEU A 31 11.518 1.754 -1.025 1.00 0.00 H new ATOM 0 HB3 LEU A 31 11.658 0.266 -0.110 1.00 0.00 H new ATOM 0 HG LEU A 31 9.406 2.263 0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.028 0.670 -1.029 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.358 1.332 -2.010 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.475 -0.316 -1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.294 0.386 1.404 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.749 -0.612 1.172 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.819 0.837 2.203 1.00 0.00 H new ATOM 441 N VAL A 32 12.464 4.359 0.476 1.00 0.00 N ATOM 442 CA VAL A 32 12.182 5.790 0.415 1.00 0.00 C ATOM 443 C VAL A 32 11.036 6.076 -0.549 1.00 0.00 C ATOM 444 O VAL A 32 10.861 5.367 -1.540 1.00 0.00 O ATOM 445 CB VAL A 32 13.425 6.589 -0.027 1.00 0.00 C ATOM 446 CG1 VAL A 32 13.139 8.084 -0.006 1.00 0.00 C ATOM 447 CG2 VAL A 32 14.619 6.252 0.856 1.00 0.00 C ATOM 0 H VAL A 32 13.347 4.085 0.046 1.00 0.00 H new ATOM 0 HA VAL A 32 11.899 6.105 1.419 1.00 0.00 H new ATOM 0 HB VAL A 32 13.669 6.307 -1.051 1.00 0.00 H new ATOM 0 HG11 VAL A 32 14.029 8.629 -0.321 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.317 8.307 -0.686 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.866 8.388 1.005 1.00 0.00 H new ATOM 0 HG21 VAL A 32 15.487 6.825 0.529 1.00 0.00 H new ATOM 0 HG22 VAL A 32 14.388 6.502 1.891 1.00 0.00 H new ATOM 0 HG23 VAL A 32 14.838 5.187 0.780 1.00 0.00 H new ATOM 457 N ARG A 33 10.255 7.116 -0.260 1.00 0.00 N ATOM 458 CA ARG A 33 9.126 7.478 -1.116 1.00 0.00 C ATOM 459 C ARG A 33 9.560 7.607 -2.574 1.00 0.00 C ATOM 460 O ARG A 33 10.631 8.137 -2.873 1.00 0.00 O ATOM 461 CB ARG A 33 8.492 8.792 -0.657 1.00 0.00 C ATOM 462 CG ARG A 33 7.912 8.739 0.746 1.00 0.00 C ATOM 463 CD ARG A 33 7.124 10.000 1.064 1.00 0.00 C ATOM 464 NE ARG A 33 7.926 11.207 0.882 1.00 0.00 N ATOM 465 CZ ARG A 33 7.469 12.440 1.091 1.00 0.00 C ATOM 466 NH1 ARG A 33 6.216 12.633 1.486 1.00 0.00 N ATOM 467 NH2 ARG A 33 8.266 13.483 0.904 1.00 0.00 N ATOM 0 H ARG A 33 10.381 7.718 0.553 1.00 0.00 H new ATOM 0 HA ARG A 33 8.389 6.679 -1.036 1.00 0.00 H new ATOM 0 HB2 ARG A 33 9.243 9.581 -0.699 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.702 9.066 -1.356 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.263 7.868 0.841 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.717 8.618 1.471 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.244 10.049 0.422 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.766 9.954 2.093 1.00 0.00 H new ATOM 0 HE ARG A 33 8.893 11.099 0.577 1.00 0.00 H new ATOM 0 HH11 ARG A 33 5.598 11.834 1.631 1.00 0.00 H new ATOM 0 HH12 ARG A 33 5.871 13.580 1.645 1.00 0.00 H new ATOM 0 HH21 ARG A 33 9.229 13.341 0.600 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.916 14.428 1.064 1.00 0.00 H new ATOM 481 N LYS A 34 8.715 7.119 -3.477 1.00 0.00 N ATOM 482 CA LYS A 34 8.999 7.176 -4.904 1.00 0.00 C ATOM 483 C LYS A 34 7.815 7.800 -5.655 1.00 0.00 C ATOM 484 O LYS A 34 7.449 8.942 -5.383 1.00 0.00 O ATOM 485 CB LYS A 34 9.332 5.776 -5.428 1.00 0.00 C ATOM 486 CG LYS A 34 10.473 5.111 -4.672 1.00 0.00 C ATOM 487 CD LYS A 34 10.826 3.756 -5.258 1.00 0.00 C ATOM 488 CE LYS A 34 11.906 3.061 -4.442 1.00 0.00 C ATOM 489 NZ LYS A 34 13.162 3.858 -4.393 1.00 0.00 N ATOM 0 H LYS A 34 7.825 6.678 -3.243 1.00 0.00 H new ATOM 0 HA LYS A 34 9.868 7.810 -5.076 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.444 5.148 -5.359 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.594 5.843 -6.484 1.00 0.00 H new ATOM 0 HG2 LYS A 34 11.350 5.757 -4.697 1.00 0.00 H new ATOM 0 HG3 LYS A 34 10.194 4.992 -3.625 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.935 3.130 -5.292 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.168 3.880 -6.285 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.543 2.892 -3.428 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.114 2.082 -4.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.922 3.283 -3.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.431 4.142 -5.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.012 4.707 -3.811 1.00 0.00 H new ATOM 503 N THR A 35 7.213 7.067 -6.594 1.00 0.00 N ATOM 504 CA THR A 35 6.082 7.603 -7.347 1.00 0.00 C ATOM 505 C THR A 35 5.193 6.500 -7.910 1.00 0.00 C ATOM 506 O THR A 35 5.668 5.576 -8.560 1.00 0.00 O ATOM 507 CB THR A 35 6.552 8.501 -8.503 1.00 0.00 C ATOM 508 OG1 THR A 35 7.503 7.801 -9.316 1.00 0.00 O ATOM 509 CG2 THR A 35 7.170 9.783 -7.971 1.00 0.00 C ATOM 0 H THR A 35 7.485 6.117 -6.847 1.00 0.00 H new ATOM 0 HA THR A 35 5.501 8.195 -6.639 1.00 0.00 H new ATOM 0 HB THR A 35 5.685 8.760 -9.110 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.121 7.645 -10.205 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.496 10.404 -8.806 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.431 10.326 -7.382 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.027 9.540 -7.343 1.00 0.00 H new ATOM 517 N LEU A 36 3.894 6.623 -7.631 1.00 0.00 N ATOM 518 CA LEU A 36 2.857 5.673 -8.068 1.00 0.00 C ATOM 519 C LEU A 36 3.390 4.493 -8.891 1.00 0.00 C ATOM 520 O LEU A 36 3.354 3.350 -8.435 1.00 0.00 O ATOM 521 CB LEU A 36 1.784 6.398 -8.889 1.00 0.00 C ATOM 522 CG LEU A 36 1.046 7.529 -8.164 1.00 0.00 C ATOM 523 CD1 LEU A 36 1.944 8.747 -8.007 1.00 0.00 C ATOM 524 CD2 LEU A 36 -0.228 7.893 -8.912 1.00 0.00 C ATOM 0 H LEU A 36 3.521 7.399 -7.084 1.00 0.00 H new ATOM 0 HA LEU A 36 2.440 5.260 -7.150 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.252 6.809 -9.783 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.050 5.664 -9.222 1.00 0.00 H new ATOM 0 HG LEU A 36 0.775 7.180 -7.168 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.399 9.537 -7.490 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.827 8.476 -7.428 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.251 9.102 -8.991 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.742 8.697 -8.386 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.023 8.222 -9.920 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.880 7.021 -8.967 1.00 0.00 H new ATOM 536 N GLU A 37 3.855 4.768 -10.109 1.00 0.00 N ATOM 537 CA GLU A 37 4.356 3.716 -10.994 1.00 0.00 C ATOM 538 C GLU A 37 5.637 3.093 -10.453 1.00 0.00 C ATOM 539 O GLU A 37 5.787 1.872 -10.434 1.00 0.00 O ATOM 540 CB GLU A 37 4.591 4.254 -12.415 1.00 0.00 C ATOM 541 CG GLU A 37 5.764 5.221 -12.547 1.00 0.00 C ATOM 542 CD GLU A 37 5.503 6.574 -11.912 1.00 0.00 C ATOM 543 OE1 GLU A 37 4.360 6.819 -11.475 1.00 0.00 O ATOM 544 OE2 GLU A 37 6.442 7.397 -11.866 1.00 0.00 O ATOM 0 H GLU A 37 3.895 5.707 -10.505 1.00 0.00 H new ATOM 0 HA GLU A 37 3.591 2.941 -11.036 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.757 3.410 -13.085 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.684 4.756 -12.753 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.646 4.776 -12.087 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.992 5.362 -13.603 1.00 0.00 H new ATOM 551 N GLU A 38 6.554 3.940 -10.016 1.00 0.00 N ATOM 552 CA GLU A 38 7.824 3.479 -9.472 1.00 0.00 C ATOM 553 C GLU A 38 7.606 2.586 -8.255 1.00 0.00 C ATOM 554 O GLU A 38 8.153 1.487 -8.172 1.00 0.00 O ATOM 555 CB GLU A 38 8.699 4.678 -9.096 1.00 0.00 C ATOM 556 CG GLU A 38 9.984 4.291 -8.391 1.00 0.00 C ATOM 557 CD GLU A 38 10.887 3.425 -9.249 1.00 0.00 C ATOM 558 OE1 GLU A 38 10.448 2.327 -9.650 1.00 0.00 O ATOM 559 OE2 GLU A 38 12.032 3.845 -9.519 1.00 0.00 O ATOM 0 H GLU A 38 6.444 4.954 -10.027 1.00 0.00 H new ATOM 0 HA GLU A 38 8.331 2.892 -10.238 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.944 5.237 -9.999 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.128 5.347 -8.452 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.521 5.195 -8.103 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.742 3.757 -7.472 1.00 0.00 H new ATOM 566 N ASP A 39 6.800 3.066 -7.312 1.00 0.00 N ATOM 567 CA ASP A 39 6.504 2.314 -6.096 1.00 0.00 C ATOM 568 C ASP A 39 6.068 0.888 -6.423 1.00 0.00 C ATOM 569 O ASP A 39 6.435 -0.058 -5.728 1.00 0.00 O ATOM 570 CB ASP A 39 5.414 3.016 -5.286 1.00 0.00 C ATOM 571 CG ASP A 39 5.854 4.376 -4.784 1.00 0.00 C ATOM 572 OD1 ASP A 39 6.828 4.435 -4.006 1.00 0.00 O ATOM 573 OD2 ASP A 39 5.225 5.381 -5.172 1.00 0.00 O ATOM 0 H ASP A 39 6.339 3.974 -7.367 1.00 0.00 H new ATOM 0 HA ASP A 39 7.417 2.268 -5.503 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.523 3.130 -5.903 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.136 2.391 -4.437 1.00 0.00 H new ATOM 578 N VAL A 40 5.287 0.742 -7.490 1.00 0.00 N ATOM 579 CA VAL A 40 4.813 -0.577 -7.905 1.00 0.00 C ATOM 580 C VAL A 40 5.998 -1.480 -8.197 1.00 0.00 C ATOM 581 O VAL A 40 6.050 -2.627 -7.758 1.00 0.00 O ATOM 582 CB VAL A 40 3.943 -0.511 -9.173 1.00 0.00 C ATOM 583 CG1 VAL A 40 3.079 -1.756 -9.295 1.00 0.00 C ATOM 584 CG2 VAL A 40 3.102 0.750 -9.193 1.00 0.00 C ATOM 0 H VAL A 40 4.971 1.512 -8.079 1.00 0.00 H new ATOM 0 HA VAL A 40 4.210 -0.969 -7.086 1.00 0.00 H new ATOM 0 HB VAL A 40 4.604 -0.476 -10.039 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.471 -1.690 -10.198 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.717 -2.638 -9.351 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.428 -1.834 -8.424 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.498 0.770 -10.100 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.448 0.765 -8.321 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.755 1.623 -9.173 1.00 0.00 H new ATOM 594 N GLU A 41 6.949 -0.939 -8.947 1.00 0.00 N ATOM 595 CA GLU A 41 8.153 -1.675 -9.314 1.00 0.00 C ATOM 596 C GLU A 41 8.886 -2.179 -8.073 1.00 0.00 C ATOM 597 O GLU A 41 9.257 -3.349 -7.992 1.00 0.00 O ATOM 598 CB GLU A 41 9.082 -0.785 -10.146 1.00 0.00 C ATOM 599 CG GLU A 41 8.472 -0.334 -11.462 1.00 0.00 C ATOM 600 CD GLU A 41 9.411 0.547 -12.264 1.00 0.00 C ATOM 601 OE1 GLU A 41 10.513 0.076 -12.614 1.00 0.00 O ATOM 602 OE2 GLU A 41 9.042 1.708 -12.543 1.00 0.00 O ATOM 0 H GLU A 41 6.910 0.012 -9.315 1.00 0.00 H new ATOM 0 HA GLU A 41 7.855 -2.538 -9.910 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.351 0.094 -9.560 1.00 0.00 H new ATOM 0 HB3 GLU A 41 10.005 -1.328 -10.350 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.205 -1.209 -12.054 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.549 0.210 -11.264 1.00 0.00 H new ATOM 609 N ALA A 42 9.085 -1.289 -7.103 1.00 0.00 N ATOM 610 CA ALA A 42 9.765 -1.650 -5.865 1.00 0.00 C ATOM 611 C ALA A 42 8.937 -2.645 -5.062 1.00 0.00 C ATOM 612 O ALA A 42 9.453 -3.651 -4.573 1.00 0.00 O ATOM 613 CB ALA A 42 10.051 -0.406 -5.035 1.00 0.00 C ATOM 0 H ALA A 42 8.785 -0.315 -7.152 1.00 0.00 H new ATOM 0 HA ALA A 42 10.712 -2.124 -6.122 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.559 -0.692 -4.114 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.686 0.273 -5.604 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.113 0.093 -4.792 1.00 0.00 H new ATOM 619 N LEU A 43 7.646 -2.358 -4.934 1.00 0.00 N ATOM 620 CA LEU A 43 6.734 -3.223 -4.197 1.00 0.00 C ATOM 621 C LEU A 43 6.628 -4.592 -4.854 1.00 0.00 C ATOM 622 O LEU A 43 6.728 -5.620 -4.184 1.00 0.00 O ATOM 623 CB LEU A 43 5.355 -2.569 -4.102 1.00 0.00 C ATOM 624 CG LEU A 43 5.295 -1.320 -3.220 1.00 0.00 C ATOM 625 CD1 LEU A 43 4.002 -0.551 -3.458 1.00 0.00 C ATOM 626 CD2 LEU A 43 5.422 -1.710 -1.755 1.00 0.00 C ATOM 0 H LEU A 43 7.207 -1.529 -5.333 1.00 0.00 H new ATOM 0 HA LEU A 43 7.131 -3.363 -3.192 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.025 -2.303 -5.106 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.647 -3.303 -3.717 1.00 0.00 H new ATOM 0 HG LEU A 43 6.128 -0.669 -3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.982 0.333 -2.820 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.947 -0.246 -4.503 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.150 -1.189 -3.221 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.378 -0.815 -1.135 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.605 -2.379 -1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.374 -2.216 -1.594 1.00 0.00 H new ATOM 638 N LEU A 44 6.440 -4.605 -6.169 1.00 0.00 N ATOM 639 CA LEU A 44 6.342 -5.859 -6.904 1.00 0.00 C ATOM 640 C LEU A 44 7.612 -6.674 -6.736 1.00 0.00 C ATOM 641 O LEU A 44 7.560 -7.866 -6.455 1.00 0.00 O ATOM 642 CB LEU A 44 6.087 -5.602 -8.389 1.00 0.00 C ATOM 643 CG LEU A 44 4.638 -5.288 -8.748 1.00 0.00 C ATOM 644 CD1 LEU A 44 4.502 -5.041 -10.242 1.00 0.00 C ATOM 645 CD2 LEU A 44 3.735 -6.430 -8.310 1.00 0.00 C ATOM 0 H LEU A 44 6.353 -3.767 -6.744 1.00 0.00 H new ATOM 0 HA LEU A 44 5.501 -6.421 -6.497 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.714 -4.771 -8.712 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.404 -6.479 -8.954 1.00 0.00 H new ATOM 0 HG LEU A 44 4.334 -4.382 -8.224 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.462 -4.818 -10.481 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.129 -4.197 -10.530 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.817 -5.930 -10.788 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.702 -6.198 -8.570 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.038 -7.348 -8.814 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.816 -6.565 -7.231 1.00 0.00 H new ATOM 657 N ASP A 45 8.757 -6.021 -6.896 1.00 0.00 N ATOM 658 CA ASP A 45 10.042 -6.692 -6.754 1.00 0.00 C ATOM 659 C ASP A 45 10.060 -7.560 -5.499 1.00 0.00 C ATOM 660 O ASP A 45 10.555 -8.686 -5.521 1.00 0.00 O ATOM 661 CB ASP A 45 11.175 -5.664 -6.699 1.00 0.00 C ATOM 662 CG ASP A 45 12.541 -6.313 -6.582 1.00 0.00 C ATOM 663 OD1 ASP A 45 12.772 -7.037 -5.590 1.00 0.00 O ATOM 664 OD2 ASP A 45 13.380 -6.098 -7.482 1.00 0.00 O ATOM 0 H ASP A 45 8.821 -5.029 -7.124 1.00 0.00 H new ATOM 0 HA ASP A 45 10.191 -7.335 -7.622 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.145 -5.046 -7.597 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.018 -4.999 -5.849 1.00 0.00 H new ATOM 669 N PHE A 46 9.512 -7.030 -4.410 1.00 0.00 N ATOM 670 CA PHE A 46 9.469 -7.763 -3.150 1.00 0.00 C ATOM 671 C PHE A 46 8.310 -8.759 -3.121 1.00 0.00 C ATOM 672 O PHE A 46 8.514 -9.954 -2.935 1.00 0.00 O ATOM 673 CB PHE A 46 9.345 -6.788 -1.976 1.00 0.00 C ATOM 674 CG PHE A 46 9.315 -7.460 -0.633 1.00 0.00 C ATOM 675 CD1 PHE A 46 10.209 -8.475 -0.331 1.00 0.00 C ATOM 676 CD2 PHE A 46 8.394 -7.077 0.327 1.00 0.00 C ATOM 677 CE1 PHE A 46 10.185 -9.094 0.903 1.00 0.00 C ATOM 678 CE2 PHE A 46 8.363 -7.693 1.564 1.00 0.00 C ATOM 679 CZ PHE A 46 9.260 -8.703 1.852 1.00 0.00 C ATOM 0 H PHE A 46 9.094 -6.100 -4.374 1.00 0.00 H new ATOM 0 HA PHE A 46 10.400 -8.323 -3.060 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.182 -6.090 -2.005 1.00 0.00 H new ATOM 0 HB3 PHE A 46 8.436 -6.200 -2.098 1.00 0.00 H new ATOM 0 HD1 PHE A 46 10.933 -8.786 -1.070 1.00 0.00 H new ATOM 0 HD2 PHE A 46 7.691 -6.287 0.107 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.888 -9.883 1.126 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.639 -7.385 2.304 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.238 -9.186 2.818 1.00 0.00 H new ATOM 689 N VAL A 47 7.096 -8.252 -3.298 1.00 0.00 N ATOM 690 CA VAL A 47 5.898 -9.089 -3.278 1.00 0.00 C ATOM 691 C VAL A 47 5.952 -10.195 -4.333 1.00 0.00 C ATOM 692 O VAL A 47 5.680 -11.360 -4.039 1.00 0.00 O ATOM 693 CB VAL A 47 4.632 -8.236 -3.508 1.00 0.00 C ATOM 694 CG1 VAL A 47 3.376 -9.094 -3.459 1.00 0.00 C ATOM 695 CG2 VAL A 47 4.556 -7.112 -2.486 1.00 0.00 C ATOM 0 H VAL A 47 6.913 -7.261 -3.458 1.00 0.00 H new ATOM 0 HA VAL A 47 5.858 -9.554 -2.293 1.00 0.00 H new ATOM 0 HB VAL A 47 4.696 -7.796 -4.503 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.500 -8.467 -3.624 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.427 -9.858 -4.235 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.300 -9.573 -2.483 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.658 -6.520 -2.662 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.521 -7.535 -1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.435 -6.474 -2.580 1.00 0.00 H new ATOM 705 N ARG A 48 6.284 -9.819 -5.559 1.00 0.00 N ATOM 706 CA ARG A 48 6.353 -10.765 -6.671 1.00 0.00 C ATOM 707 C ARG A 48 7.458 -11.806 -6.487 1.00 0.00 C ATOM 708 O ARG A 48 7.197 -13.009 -6.526 1.00 0.00 O ATOM 709 CB ARG A 48 6.566 -9.994 -7.980 1.00 0.00 C ATOM 710 CG ARG A 48 6.885 -10.873 -9.177 1.00 0.00 C ATOM 711 CD ARG A 48 5.859 -11.980 -9.354 1.00 0.00 C ATOM 712 NE ARG A 48 6.168 -12.843 -10.492 1.00 0.00 N ATOM 713 CZ ARG A 48 7.233 -13.641 -10.553 1.00 0.00 C ATOM 714 NH1 ARG A 48 8.071 -13.723 -9.526 1.00 0.00 N ATOM 715 NH2 ARG A 48 7.452 -14.370 -11.638 1.00 0.00 N ATOM 0 H ARG A 48 6.512 -8.858 -5.814 1.00 0.00 H new ATOM 0 HA ARG A 48 5.409 -11.309 -6.703 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.668 -9.415 -8.198 1.00 0.00 H new ATOM 0 HB3 ARG A 48 7.379 -9.281 -7.840 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.919 -10.261 -10.078 1.00 0.00 H new ATOM 0 HG3 ARG A 48 7.875 -11.312 -9.052 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.815 -12.581 -8.446 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.872 -11.539 -9.492 1.00 0.00 H new ATOM 0 HE ARG A 48 5.530 -12.834 -11.288 1.00 0.00 H new ATOM 0 HH11 ARG A 48 7.901 -13.173 -8.684 1.00 0.00 H new ATOM 0 HH12 ARG A 48 8.885 -14.336 -9.579 1.00 0.00 H new ATOM 0 HH21 ARG A 48 6.805 -14.320 -12.425 1.00 0.00 H new ATOM 0 HH22 ARG A 48 8.267 -14.981 -11.686 1.00 0.00 H new ATOM 729 N ARG A 49 8.690 -11.344 -6.322 1.00 0.00 N ATOM 730 CA ARG A 49 9.831 -12.244 -6.173 1.00 0.00 C ATOM 731 C ARG A 49 9.790 -13.021 -4.859 1.00 0.00 C ATOM 732 O ARG A 49 10.056 -14.224 -4.838 1.00 0.00 O ATOM 733 CB ARG A 49 11.128 -11.451 -6.291 1.00 0.00 C ATOM 734 CG ARG A 49 11.254 -10.723 -7.620 1.00 0.00 C ATOM 735 CD ARG A 49 11.487 -11.696 -8.767 1.00 0.00 C ATOM 736 NE ARG A 49 11.581 -11.012 -10.055 1.00 0.00 N ATOM 737 CZ ARG A 49 12.563 -10.176 -10.384 1.00 0.00 C ATOM 738 NH1 ARG A 49 13.567 -9.954 -9.543 1.00 0.00 N ATOM 739 NH2 ARG A 49 12.550 -9.569 -11.562 1.00 0.00 N ATOM 0 H ARG A 49 8.927 -10.353 -6.288 1.00 0.00 H new ATOM 0 HA ARG A 49 9.781 -12.982 -6.974 1.00 0.00 H new ATOM 0 HB2 ARG A 49 11.181 -10.726 -5.478 1.00 0.00 H new ATOM 0 HB3 ARG A 49 11.974 -12.127 -6.171 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.348 -10.147 -7.808 1.00 0.00 H new ATOM 0 HG3 ARG A 49 12.079 -10.012 -7.570 1.00 0.00 H new ATOM 0 HD2 ARG A 49 12.404 -12.256 -8.586 1.00 0.00 H new ATOM 0 HD3 ARG A 49 10.673 -12.420 -8.799 1.00 0.00 H new ATOM 0 HE ARG A 49 10.849 -11.186 -10.744 1.00 0.00 H new ATOM 0 HH11 ARG A 49 13.589 -10.425 -8.639 1.00 0.00 H new ATOM 0 HH12 ARG A 49 14.316 -9.312 -9.801 1.00 0.00 H new ATOM 0 HH21 ARG A 49 11.787 -9.742 -12.217 1.00 0.00 H new ATOM 0 HH22 ARG A 49 13.303 -8.928 -11.814 1.00 0.00 H new ATOM 753 N GLU A 50 9.459 -12.343 -3.764 1.00 0.00 N ATOM 754 CA GLU A 50 9.392 -12.999 -2.459 1.00 0.00 C ATOM 755 C GLU A 50 8.171 -13.917 -2.359 1.00 0.00 C ATOM 756 O GLU A 50 7.984 -14.606 -1.356 1.00 0.00 O ATOM 757 CB GLU A 50 9.357 -11.958 -1.337 1.00 0.00 C ATOM 758 CG GLU A 50 9.453 -12.556 0.061 1.00 0.00 C ATOM 759 CD GLU A 50 10.753 -13.303 0.294 1.00 0.00 C ATOM 760 OE1 GLU A 50 11.601 -13.325 -0.623 1.00 0.00 O ATOM 761 OE2 GLU A 50 10.923 -13.865 1.397 1.00 0.00 O ATOM 0 H GLU A 50 9.234 -11.348 -3.752 1.00 0.00 H new ATOM 0 HA GLU A 50 10.288 -13.611 -2.350 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.179 -11.257 -1.479 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.433 -11.385 -1.414 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.360 -11.759 0.799 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.616 -13.236 0.219 1.00 0.00 H new ATOM 768 N GLY A 51 7.344 -13.932 -3.404 1.00 0.00 N ATOM 769 CA GLY A 51 6.162 -14.776 -3.405 1.00 0.00 C ATOM 770 C GLY A 51 5.219 -14.462 -2.261 1.00 0.00 C ATOM 771 O GLY A 51 4.614 -15.364 -1.682 1.00 0.00 O ATOM 0 H GLY A 51 7.473 -13.375 -4.249 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.634 -14.653 -4.350 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.466 -15.821 -3.343 1.00 0.00 H new ATOM 775 N LEU A 52 5.090 -13.179 -1.936 1.00 0.00 N ATOM 776 CA LEU A 52 4.207 -12.756 -0.856 1.00 0.00 C ATOM 777 C LEU A 52 2.748 -12.908 -1.257 1.00 0.00 C ATOM 778 O LEU A 52 1.959 -13.526 -0.543 1.00 0.00 O ATOM 779 CB LEU A 52 4.492 -11.301 -0.470 1.00 0.00 C ATOM 780 CG LEU A 52 5.911 -11.028 0.029 1.00 0.00 C ATOM 781 CD1 LEU A 52 6.079 -9.556 0.375 1.00 0.00 C ATOM 782 CD2 LEU A 52 6.230 -11.901 1.235 1.00 0.00 C ATOM 0 H LEU A 52 5.583 -12.418 -2.403 1.00 0.00 H new ATOM 0 HA LEU A 52 4.399 -13.396 0.005 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.300 -10.667 -1.336 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.787 -11.003 0.306 1.00 0.00 H new ATOM 0 HG LEU A 52 6.611 -11.276 -0.769 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.095 -9.379 0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.893 -8.950 -0.512 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.370 -9.283 1.157 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.244 -11.693 1.577 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.525 -11.684 2.038 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.150 -12.951 0.955 1.00 0.00 H new ATOM 794 N GLY A 53 2.395 -12.337 -2.403 1.00 0.00 N ATOM 795 CA GLY A 53 1.029 -12.420 -2.878 1.00 0.00 C ATOM 796 C GLY A 53 0.027 -11.999 -1.820 1.00 0.00 C ATOM 797 O GLY A 53 -1.094 -12.509 -1.777 1.00 0.00 O ATOM 0 H GLY A 53 3.030 -11.819 -3.010 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.913 -11.787 -3.758 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.817 -13.442 -3.191 1.00 0.00 H new ATOM 801 N LYS A 54 0.437 -11.066 -0.967 1.00 0.00 N ATOM 802 CA LYS A 54 -0.417 -10.568 0.107 1.00 0.00 C ATOM 803 C LYS A 54 0.114 -9.247 0.645 1.00 0.00 C ATOM 804 O LYS A 54 1.299 -9.127 0.952 1.00 0.00 O ATOM 805 CB LYS A 54 -0.482 -11.579 1.253 1.00 0.00 C ATOM 806 CG LYS A 54 -1.033 -12.939 0.849 1.00 0.00 C ATOM 807 CD LYS A 54 -1.174 -13.863 2.046 1.00 0.00 C ATOM 808 CE LYS A 54 -1.739 -15.216 1.642 1.00 0.00 C ATOM 809 NZ LYS A 54 -0.863 -15.912 0.659 1.00 0.00 N ATOM 0 H LYS A 54 1.362 -10.637 -0.999 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.415 -10.418 -0.304 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.519 -11.712 1.664 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.102 -11.169 2.050 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.004 -12.811 0.371 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.372 -13.396 0.112 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.201 -14.000 2.518 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.826 -13.402 2.788 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.857 -15.839 2.528 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.732 -15.081 1.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.157 -16.906 0.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.944 -15.448 -0.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.124 -15.869 0.983 1.00 0.00 H new ATOM 823 N LEU A 55 -0.764 -8.258 0.764 1.00 0.00 N ATOM 824 CA LEU A 55 -0.364 -6.951 1.270 1.00 0.00 C ATOM 825 C LEU A 55 -1.440 -6.347 2.167 1.00 0.00 C ATOM 826 O LEU A 55 -2.630 -6.403 1.861 1.00 0.00 O ATOM 827 CB LEU A 55 -0.055 -5.995 0.111 1.00 0.00 C ATOM 828 CG LEU A 55 1.128 -6.396 -0.780 1.00 0.00 C ATOM 829 CD1 LEU A 55 2.348 -6.751 0.061 1.00 0.00 C ATOM 830 CD2 LEU A 55 0.745 -7.555 -1.694 1.00 0.00 C ATOM 0 H LEU A 55 -1.751 -8.335 0.519 1.00 0.00 H new ATOM 0 HA LEU A 55 0.537 -7.093 1.866 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.945 -5.909 -0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.142 -5.005 0.522 1.00 0.00 H new ATOM 0 HG LEU A 55 1.387 -5.540 -1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.173 -7.032 -0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.639 -5.889 0.662 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.106 -7.586 0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.598 -7.824 -2.317 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.452 -8.414 -1.090 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.089 -7.257 -2.329 1.00 0.00 H new ATOM 842 N VAL A 56 -1.000 -5.768 3.282 1.00 0.00 N ATOM 843 CA VAL A 56 -1.905 -5.144 4.240 1.00 0.00 C ATOM 844 C VAL A 56 -1.396 -3.759 4.636 1.00 0.00 C ATOM 845 O VAL A 56 -0.194 -3.555 4.802 1.00 0.00 O ATOM 846 CB VAL A 56 -2.070 -6.010 5.509 1.00 0.00 C ATOM 847 CG1 VAL A 56 -0.737 -6.192 6.220 1.00 0.00 C ATOM 848 CG2 VAL A 56 -3.104 -5.398 6.441 1.00 0.00 C ATOM 0 H VAL A 56 -0.015 -5.719 3.544 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.876 -5.050 3.754 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.424 -6.996 5.206 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.880 -6.805 7.110 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.032 -6.684 5.550 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.343 -5.218 6.510 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.207 -6.021 7.329 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.783 -4.398 6.734 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.064 -5.335 5.928 1.00 0.00 H new ATOM 858 N VAL A 57 -2.314 -2.807 4.776 1.00 0.00 N ATOM 859 CA VAL A 57 -1.941 -1.445 5.139 1.00 0.00 C ATOM 860 C VAL A 57 -3.079 -0.724 5.855 1.00 0.00 C ATOM 861 O VAL A 57 -4.255 -0.981 5.598 1.00 0.00 O ATOM 862 CB VAL A 57 -1.534 -0.625 3.897 1.00 0.00 C ATOM 863 CG1 VAL A 57 -1.051 0.761 4.301 1.00 0.00 C ATOM 864 CG2 VAL A 57 -0.467 -1.359 3.100 1.00 0.00 C ATOM 0 H VAL A 57 -3.315 -2.953 4.644 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.089 -1.526 5.814 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.412 -0.504 3.262 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.769 1.322 3.410 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.850 1.287 4.823 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.187 0.668 4.959 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.192 -0.766 2.228 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.412 -1.514 3.725 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.855 -2.324 2.775 1.00 0.00 H new ATOM 1094 N LYS A 73 0.403 6.987 -2.432 1.00 0.00 N ATOM 1095 CA LYS A 73 0.899 6.097 -3.476 1.00 0.00 C ATOM 1096 C LYS A 73 0.786 4.633 -3.054 1.00 0.00 C ATOM 1097 O LYS A 73 1.567 3.790 -3.493 1.00 0.00 O ATOM 1098 CB LYS A 73 2.357 6.437 -3.797 1.00 0.00 C ATOM 1099 CG LYS A 73 2.551 7.853 -4.323 1.00 0.00 C ATOM 1100 CD LYS A 73 4.008 8.151 -4.659 1.00 0.00 C ATOM 1101 CE LYS A 73 4.880 8.244 -3.414 1.00 0.00 C ATOM 1102 NZ LYS A 73 5.069 6.924 -2.749 1.00 0.00 N ATOM 0 HA LYS A 73 0.286 6.240 -4.366 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.958 6.307 -2.897 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.732 5.729 -4.536 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.939 7.994 -5.214 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.199 8.566 -3.578 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.395 7.370 -5.313 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.067 9.088 -5.212 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.853 8.653 -3.686 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.427 8.941 -2.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.052 6.839 -2.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.424 6.849 -1.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.863 6.162 -3.426 1.00 0.00 H new ATOM 1116 N VAL A 74 -0.197 4.338 -2.207 1.00 0.00 N ATOM 1117 CA VAL A 74 -0.421 2.976 -1.736 1.00 0.00 C ATOM 1118 C VAL A 74 -1.564 2.314 -2.502 1.00 0.00 C ATOM 1119 O VAL A 74 -1.477 1.150 -2.894 1.00 0.00 O ATOM 1120 CB VAL A 74 -0.738 2.946 -0.226 1.00 0.00 C ATOM 1121 CG1 VAL A 74 -0.909 1.516 0.260 1.00 0.00 C ATOM 1122 CG2 VAL A 74 0.353 3.657 0.562 1.00 0.00 C ATOM 0 H VAL A 74 -0.851 5.025 -1.833 1.00 0.00 H new ATOM 0 HA VAL A 74 0.501 2.422 -1.913 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.678 3.473 -0.062 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.132 1.519 1.327 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.729 1.044 -0.281 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.011 0.959 0.083 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.113 3.626 1.625 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.308 3.160 0.391 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.420 4.695 0.235 1.00 0.00 H new ATOM 1132 N LEU A 75 -2.639 3.070 -2.709 1.00 0.00 N ATOM 1133 CA LEU A 75 -3.809 2.569 -3.422 1.00 0.00 C ATOM 1134 C LEU A 75 -3.439 2.035 -4.807 1.00 0.00 C ATOM 1135 O LEU A 75 -3.841 0.930 -5.174 1.00 0.00 O ATOM 1136 CB LEU A 75 -4.860 3.673 -3.555 1.00 0.00 C ATOM 1137 CG LEU A 75 -6.172 3.241 -4.212 1.00 0.00 C ATOM 1138 CD1 LEU A 75 -6.840 2.143 -3.398 1.00 0.00 C ATOM 1139 CD2 LEU A 75 -7.105 4.434 -4.368 1.00 0.00 C ATOM 0 H LEU A 75 -2.723 4.036 -2.391 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.221 1.743 -2.841 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.080 4.066 -2.562 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.434 4.492 -4.134 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.949 2.845 -5.203 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.772 1.848 -3.880 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.176 1.281 -3.335 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.052 2.512 -2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.034 4.110 -4.837 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.322 4.857 -3.387 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.628 5.190 -4.992 1.00 0.00 H new ATOM 1151 N PRO A 76 -2.670 2.802 -5.605 1.00 0.00 N ATOM 1152 CA PRO A 76 -2.264 2.380 -6.947 1.00 0.00 C ATOM 1153 C PRO A 76 -1.746 0.946 -6.966 1.00 0.00 C ATOM 1154 O PRO A 76 -2.037 0.184 -7.889 1.00 0.00 O ATOM 1155 CB PRO A 76 -1.148 3.365 -7.333 1.00 0.00 C ATOM 1156 CG PRO A 76 -0.887 4.191 -6.113 1.00 0.00 C ATOM 1157 CD PRO A 76 -2.136 4.132 -5.284 1.00 0.00 C ATOM 0 HA PRO A 76 -3.103 2.392 -7.642 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -0.249 2.833 -7.644 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -1.453 3.992 -8.171 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -0.034 3.803 -5.557 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -0.650 5.220 -6.384 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -1.922 4.237 -4.220 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -2.836 4.925 -5.548 1.00 0.00 H new ATOM 1165 N LEU A 77 -0.993 0.578 -5.935 1.00 0.00 N ATOM 1166 CA LEU A 77 -0.455 -0.773 -5.837 1.00 0.00 C ATOM 1167 C LEU A 77 -1.580 -1.780 -5.655 1.00 0.00 C ATOM 1168 O LEU A 77 -1.542 -2.878 -6.208 1.00 0.00 O ATOM 1169 CB LEU A 77 0.527 -0.891 -4.671 1.00 0.00 C ATOM 1170 CG LEU A 77 1.105 -2.294 -4.466 1.00 0.00 C ATOM 1171 CD1 LEU A 77 2.091 -2.640 -5.575 1.00 0.00 C ATOM 1172 CD2 LEU A 77 1.759 -2.414 -3.095 1.00 0.00 C ATOM 0 H LEU A 77 -0.743 1.192 -5.160 1.00 0.00 H new ATOM 0 HA LEU A 77 0.076 -0.987 -6.765 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.349 -0.194 -4.833 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.023 -0.582 -3.755 1.00 0.00 H new ATOM 0 HG LEU A 77 0.285 -3.010 -4.511 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.489 -3.641 -5.409 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.582 -2.607 -6.538 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.909 -1.919 -5.573 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.163 -3.419 -2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.566 -1.686 -3.012 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.017 -2.223 -2.320 1.00 0.00 H new ATOM 1184 N VAL A 78 -2.586 -1.394 -4.875 1.00 0.00 N ATOM 1185 CA VAL A 78 -3.727 -2.261 -4.620 1.00 0.00 C ATOM 1186 C VAL A 78 -4.336 -2.750 -5.931 1.00 0.00 C ATOM 1187 O VAL A 78 -4.780 -3.893 -6.034 1.00 0.00 O ATOM 1188 CB VAL A 78 -4.812 -1.541 -3.796 1.00 0.00 C ATOM 1189 CG1 VAL A 78 -5.951 -2.491 -3.461 1.00 0.00 C ATOM 1190 CG2 VAL A 78 -4.213 -0.946 -2.529 1.00 0.00 C ATOM 0 H VAL A 78 -2.632 -0.487 -4.410 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.361 -3.113 -4.047 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.217 -0.727 -4.397 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.706 -1.963 -2.879 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.398 -2.863 -4.383 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.567 -3.330 -2.880 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.994 -0.441 -1.960 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.779 -1.742 -1.923 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.437 -0.228 -2.796 1.00 0.00 H new ATOM 1200 N GLU A 79 -4.349 -1.875 -6.932 1.00 0.00 N ATOM 1201 CA GLU A 79 -4.898 -2.220 -8.238 1.00 0.00 C ATOM 1202 C GLU A 79 -4.147 -3.402 -8.840 1.00 0.00 C ATOM 1203 O GLU A 79 -4.752 -4.321 -9.392 1.00 0.00 O ATOM 1204 CB GLU A 79 -4.825 -1.018 -9.181 1.00 0.00 C ATOM 1205 CG GLU A 79 -5.385 -1.296 -10.567 1.00 0.00 C ATOM 1206 CD GLU A 79 -6.848 -1.697 -10.536 1.00 0.00 C ATOM 1207 OE1 GLU A 79 -7.673 -0.890 -10.059 1.00 0.00 O ATOM 1208 OE2 GLU A 79 -7.167 -2.815 -10.989 1.00 0.00 O ATOM 0 H GLU A 79 -3.986 -0.924 -6.864 1.00 0.00 H new ATOM 0 HA GLU A 79 -5.943 -2.501 -8.106 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.372 -0.186 -8.738 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.786 -0.703 -9.275 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.269 -0.407 -11.187 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.804 -2.090 -11.037 1.00 0.00 H new ATOM 1215 N ALA A 80 -2.823 -3.373 -8.721 1.00 0.00 N ATOM 1216 CA ALA A 80 -1.986 -4.443 -9.244 1.00 0.00 C ATOM 1217 C ALA A 80 -2.280 -5.756 -8.533 1.00 0.00 C ATOM 1218 O ALA A 80 -2.457 -6.797 -9.169 1.00 0.00 O ATOM 1219 CB ALA A 80 -0.516 -4.081 -9.093 1.00 0.00 C ATOM 0 H ALA A 80 -2.308 -2.619 -8.266 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.212 -4.569 -10.303 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.100 -4.889 -9.488 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.309 -3.164 -9.644 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.285 -3.930 -8.038 1.00 0.00 H new ATOM 1225 N LEU A 81 -2.320 -5.701 -7.207 1.00 0.00 N ATOM 1226 CA LEU A 81 -2.582 -6.881 -6.393 1.00 0.00 C ATOM 1227 C LEU A 81 -3.932 -7.501 -6.747 1.00 0.00 C ATOM 1228 O LEU A 81 -4.038 -8.712 -6.945 1.00 0.00 O ATOM 1229 CB LEU A 81 -2.546 -6.503 -4.911 1.00 0.00 C ATOM 1230 CG LEU A 81 -1.322 -5.687 -4.483 1.00 0.00 C ATOM 1231 CD1 LEU A 81 -1.317 -5.472 -2.977 1.00 0.00 C ATOM 1232 CD2 LEU A 81 -0.038 -6.370 -4.935 1.00 0.00 C ATOM 0 H LEU A 81 -2.173 -4.846 -6.670 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.808 -7.621 -6.596 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.445 -5.934 -4.674 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.581 -7.416 -4.317 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.377 -4.711 -4.964 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.439 -4.890 -2.695 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.218 -4.934 -2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.290 -6.437 -2.472 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.820 -5.775 -4.622 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.024 -7.361 -4.486 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.038 -6.463 -6.021 1.00 0.00 H new ATOM 1244 N ARG A 82 -4.959 -6.663 -6.830 1.00 0.00 N ATOM 1245 CA ARG A 82 -6.304 -7.124 -7.165 1.00 0.00 C ATOM 1246 C ARG A 82 -6.326 -7.797 -8.534 1.00 0.00 C ATOM 1247 O ARG A 82 -6.973 -8.828 -8.720 1.00 0.00 O ATOM 1248 CB ARG A 82 -7.281 -5.945 -7.156 1.00 0.00 C ATOM 1249 CG ARG A 82 -7.443 -5.276 -5.797 1.00 0.00 C ATOM 1250 CD ARG A 82 -8.327 -6.090 -4.863 1.00 0.00 C ATOM 1251 NE ARG A 82 -7.685 -7.323 -4.415 1.00 0.00 N ATOM 1252 CZ ARG A 82 -8.298 -8.246 -3.673 1.00 0.00 C ATOM 1253 NH1 ARG A 82 -9.563 -8.081 -3.309 1.00 0.00 N ATOM 1254 NH2 ARG A 82 -7.644 -9.335 -3.295 1.00 0.00 N ATOM 0 H ARG A 82 -4.887 -5.658 -6.670 1.00 0.00 H new ATOM 0 HA ARG A 82 -6.608 -7.854 -6.415 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -6.941 -5.201 -7.876 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -8.256 -6.294 -7.495 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -6.462 -5.139 -5.341 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -7.873 -4.284 -5.930 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -8.587 -5.484 -3.995 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -9.259 -6.334 -5.372 1.00 0.00 H new ATOM 0 HE ARG A 82 -6.715 -7.487 -4.684 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -10.072 -7.245 -3.597 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -10.027 -8.790 -2.741 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -6.671 -9.467 -3.572 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -8.113 -10.041 -2.727 1.00 0.00 H new ATOM 1268 N ALA A 83 -5.627 -7.199 -9.493 1.00 0.00 N ATOM 1269 CA ALA A 83 -5.573 -7.728 -10.852 1.00 0.00 C ATOM 1270 C ALA A 83 -5.096 -9.178 -10.881 1.00 0.00 C ATOM 1271 O ALA A 83 -5.686 -10.017 -11.560 1.00 0.00 O ATOM 1272 CB ALA A 83 -4.674 -6.859 -11.717 1.00 0.00 C ATOM 0 H ALA A 83 -5.088 -6.344 -9.354 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.586 -7.710 -11.253 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.641 -7.263 -12.729 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.068 -5.843 -11.745 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -3.668 -6.847 -11.298 1.00 0.00 H new ATOM 1278 N ARG A 84 -4.022 -9.470 -10.152 1.00 0.00 N ATOM 1279 CA ARG A 84 -3.475 -10.823 -10.115 1.00 0.00 C ATOM 1280 C ARG A 84 -4.139 -11.676 -9.034 1.00 0.00 C ATOM 1281 O ARG A 84 -3.591 -12.700 -8.623 1.00 0.00 O ATOM 1282 CB ARG A 84 -1.963 -10.782 -9.887 1.00 0.00 C ATOM 1283 CG ARG A 84 -1.202 -10.055 -10.982 1.00 0.00 C ATOM 1284 CD ARG A 84 0.300 -10.093 -10.736 1.00 0.00 C ATOM 1285 NE ARG A 84 0.666 -9.461 -9.471 1.00 0.00 N ATOM 1286 CZ ARG A 84 0.524 -8.161 -9.223 1.00 0.00 C ATOM 1287 NH1 ARG A 84 0.072 -7.342 -10.163 1.00 0.00 N ATOM 1288 NH2 ARG A 84 0.850 -7.675 -8.032 1.00 0.00 N ATOM 0 H ARG A 84 -3.516 -8.792 -9.582 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.684 -11.283 -11.081 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.761 -10.297 -8.932 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.588 -11.803 -9.811 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.426 -10.511 -11.946 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.537 -9.019 -11.034 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.641 -11.128 -10.735 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.814 -9.589 -11.555 1.00 0.00 H new ATOM 0 HE ARG A 84 1.053 -10.051 -8.734 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.170 -7.707 -11.084 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.034 -6.347 -9.965 1.00 0.00 H new ATOM 0 HH21 ARG A 84 1.209 -8.297 -7.308 1.00 0.00 H new ATOM 0 HH22 ARG A 84 0.742 -6.679 -7.841 1.00 0.00 H new ATOM 1302 N GLY A 85 -5.314 -11.257 -8.573 1.00 0.00 N ATOM 1303 CA GLY A 85 -6.011 -12.004 -7.546 1.00 0.00 C ATOM 1304 C GLY A 85 -5.187 -12.131 -6.285 1.00 0.00 C ATOM 1305 O GLY A 85 -5.201 -13.166 -5.620 1.00 0.00 O ATOM 0 H GLY A 85 -5.793 -10.415 -8.893 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.955 -11.510 -7.315 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.255 -12.998 -7.922 1.00 0.00 H new ATOM 1309 N VAL A 86 -4.469 -11.065 -5.961 1.00 0.00 N ATOM 1310 CA VAL A 86 -3.627 -11.041 -4.771 1.00 0.00 C ATOM 1311 C VAL A 86 -4.412 -10.547 -3.559 1.00 0.00 C ATOM 1312 O VAL A 86 -5.086 -9.520 -3.624 1.00 0.00 O ATOM 1313 CB VAL A 86 -2.391 -10.144 -4.980 1.00 0.00 C ATOM 1314 CG1 VAL A 86 -1.508 -10.135 -3.738 1.00 0.00 C ATOM 1315 CG2 VAL A 86 -1.604 -10.600 -6.200 1.00 0.00 C ATOM 0 H VAL A 86 -4.452 -10.203 -6.506 1.00 0.00 H new ATOM 0 HA VAL A 86 -3.294 -12.063 -4.590 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.734 -9.124 -5.153 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.643 -9.495 -3.911 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.077 -9.754 -2.890 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.172 -11.149 -3.523 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.735 -9.956 -6.334 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.275 -11.629 -6.057 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.238 -10.542 -7.085 1.00 0.00 H new ATOM 1325 N GLU A 87 -4.319 -11.282 -2.456 1.00 0.00 N ATOM 1326 CA GLU A 87 -5.023 -10.913 -1.234 1.00 0.00 C ATOM 1327 C GLU A 87 -4.536 -9.569 -0.703 1.00 0.00 C ATOM 1328 O GLU A 87 -3.332 -9.329 -0.602 1.00 0.00 O ATOM 1329 CB GLU A 87 -4.837 -11.992 -0.165 1.00 0.00 C ATOM 1330 CG GLU A 87 -5.346 -13.361 -0.586 1.00 0.00 C ATOM 1331 CD GLU A 87 -5.177 -14.408 0.498 1.00 0.00 C ATOM 1332 OE1 GLU A 87 -4.672 -14.061 1.587 1.00 0.00 O ATOM 1333 OE2 GLU A 87 -5.550 -15.576 0.258 1.00 0.00 O ATOM 0 H GLU A 87 -3.764 -12.135 -2.383 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.083 -10.825 -1.473 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.778 -12.068 0.082 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.355 -11.685 0.743 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.401 -13.286 -0.851 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -4.814 -13.682 -1.481 1.00 0.00 H new ATOM 1340 N VAL A 88 -5.481 -8.696 -0.368 1.00 0.00 N ATOM 1341 CA VAL A 88 -5.157 -7.372 0.150 1.00 0.00 C ATOM 1342 C VAL A 88 -6.282 -6.854 1.040 1.00 0.00 C ATOM 1343 O VAL A 88 -7.457 -7.112 0.785 1.00 0.00 O ATOM 1344 CB VAL A 88 -4.902 -6.361 -0.988 1.00 0.00 C ATOM 1345 CG1 VAL A 88 -4.555 -4.989 -0.428 1.00 0.00 C ATOM 1346 CG2 VAL A 88 -3.796 -6.856 -1.908 1.00 0.00 C ATOM 0 H VAL A 88 -6.481 -8.883 -0.447 1.00 0.00 H new ATOM 0 HA VAL A 88 -4.243 -7.472 0.735 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.819 -6.269 -1.569 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.380 -4.294 -1.250 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.381 -4.626 0.184 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.655 -5.062 0.183 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.632 -6.129 -2.703 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.877 -6.982 -1.336 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.086 -7.812 -2.344 1.00 0.00 H new ATOM 1356 N GLU A 89 -5.911 -6.129 2.091 1.00 0.00 N ATOM 1357 CA GLU A 89 -6.890 -5.586 3.024 1.00 0.00 C ATOM 1358 C GLU A 89 -6.418 -4.263 3.615 1.00 0.00 C ATOM 1359 O GLU A 89 -5.218 -4.023 3.753 1.00 0.00 O ATOM 1360 CB GLU A 89 -7.164 -6.589 4.147 1.00 0.00 C ATOM 1361 CG GLU A 89 -5.930 -6.945 4.960 1.00 0.00 C ATOM 1362 CD GLU A 89 -6.226 -7.942 6.063 1.00 0.00 C ATOM 1363 OE1 GLU A 89 -7.057 -7.626 6.940 1.00 0.00 O ATOM 1364 OE2 GLU A 89 -5.628 -9.038 6.048 1.00 0.00 O ATOM 0 H GLU A 89 -4.942 -5.905 2.317 1.00 0.00 H new ATOM 0 HA GLU A 89 -7.811 -5.402 2.471 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.922 -6.177 4.814 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.580 -7.500 3.716 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -5.169 -7.357 4.297 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.514 -6.038 5.398 1.00 0.00 H new ATOM 1371 N LEU A 90 -7.374 -3.410 3.962 1.00 0.00 N ATOM 1372 CA LEU A 90 -7.071 -2.106 4.542 1.00 0.00 C ATOM 1373 C LEU A 90 -7.879 -1.887 5.818 1.00 0.00 C ATOM 1374 O LEU A 90 -8.915 -2.519 6.022 1.00 0.00 O ATOM 1375 CB LEU A 90 -7.348 -0.981 3.537 1.00 0.00 C ATOM 1376 CG LEU A 90 -8.800 -0.855 3.063 1.00 0.00 C ATOM 1377 CD1 LEU A 90 -8.973 0.395 2.212 1.00 0.00 C ATOM 1378 CD2 LEU A 90 -9.219 -2.090 2.277 1.00 0.00 C ATOM 0 H LEU A 90 -8.370 -3.599 3.851 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.010 -2.087 4.792 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.049 -0.035 3.988 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.712 -1.134 2.665 1.00 0.00 H new ATOM 0 HG LEU A 90 -9.440 -0.772 3.941 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.009 0.471 1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.714 1.275 2.801 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.319 0.336 1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -10.253 -1.980 1.950 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.573 -2.204 1.406 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.131 -2.972 2.911 1.00 0.00 H new