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= -0.0104 (180deg=-0.142) USER MOD Single : A 35 THR OG1 : rot 45:sc= 0.0252 USER MOD Single : A 54 LYS NZ :NH3+ 168:sc= -0.0187 (180deg=-0.253) USER MOD Single : A 73 LYS NZ :NH3+ -167:sc= -0.0251 (180deg=-0.2) USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 2.430 -15.563 5.585 1.00 0.00 N ATOM 19 CA ARG A 2 3.131 -14.285 5.576 1.00 0.00 C ATOM 20 C ARG A 2 2.310 -13.212 4.869 1.00 0.00 C ATOM 21 O ARG A 2 1.757 -13.449 3.795 1.00 0.00 O ATOM 22 CB ARG A 2 4.491 -14.435 4.892 1.00 0.00 C ATOM 23 CG ARG A 2 5.398 -15.458 5.557 1.00 0.00 C ATOM 24 CD ARG A 2 5.695 -15.083 7.001 1.00 0.00 C ATOM 25 NE ARG A 2 6.574 -16.055 7.651 1.00 0.00 N ATOM 26 CZ ARG A 2 7.842 -16.259 7.300 1.00 0.00 C ATOM 27 NH1 ARG A 2 8.401 -15.531 6.341 1.00 0.00 N ATOM 28 NH2 ARG A 2 8.558 -17.187 7.919 1.00 0.00 N ATOM 0 HA ARG A 2 3.280 -13.975 6.610 1.00 0.00 H new ATOM 0 HB2 ARG A 2 4.335 -14.722 3.852 1.00 0.00 H new ATOM 0 HB3 ARG A 2 4.993 -13.468 4.884 1.00 0.00 H new ATOM 0 HG2 ARG A 2 4.926 -16.440 5.525 1.00 0.00 H new ATOM 0 HG3 ARG A 2 6.332 -15.535 5.000 1.00 0.00 H new ATOM 0 HD2 ARG A 2 6.160 -14.097 7.031 1.00 0.00 H new ATOM 0 HD3 ARG A 2 4.760 -15.012 7.557 1.00 0.00 H new ATOM 0 HE ARG A 2 6.193 -16.609 8.418 1.00 0.00 H new ATOM 0 HH11 ARG A 2 7.859 -14.809 5.867 1.00 0.00 H new ATOM 0 HH12 ARG A 2 9.373 -15.694 6.078 1.00 0.00 H new ATOM 0 HH21 ARG A 2 8.137 -17.744 8.663 1.00 0.00 H new ATOM 0 HH22 ARG A 2 9.530 -17.344 7.651 1.00 0.00 H new ATOM 42 N VAL A 3 2.238 -12.031 5.474 1.00 0.00 N ATOM 43 CA VAL A 3 1.488 -10.923 4.894 1.00 0.00 C ATOM 44 C VAL A 3 2.373 -9.690 4.739 1.00 0.00 C ATOM 45 O VAL A 3 3.079 -9.302 5.668 1.00 0.00 O ATOM 46 CB VAL A 3 0.257 -10.558 5.752 1.00 0.00 C ATOM 47 CG1 VAL A 3 0.678 -10.052 7.125 1.00 0.00 C ATOM 48 CG2 VAL A 3 -0.608 -9.528 5.037 1.00 0.00 C ATOM 0 H VAL A 3 2.689 -11.817 6.364 1.00 0.00 H new ATOM 0 HA VAL A 3 1.145 -11.251 3.913 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.335 -11.462 5.896 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.208 -9.802 7.708 1.00 0.00 H new ATOM 0 HG12 VAL A 3 1.245 -10.827 7.640 1.00 0.00 H new ATOM 0 HG13 VAL A 3 1.299 -9.164 7.011 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.470 -9.284 5.657 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.024 -8.626 4.855 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.949 -9.937 4.086 1.00 0.00 H new ATOM 58 N GLY A 4 2.324 -9.071 3.564 1.00 0.00 N ATOM 59 CA GLY A 4 3.123 -7.884 3.324 1.00 0.00 C ATOM 60 C GLY A 4 2.524 -6.657 3.983 1.00 0.00 C ATOM 61 O GLY A 4 1.365 -6.323 3.740 1.00 0.00 O ATOM 0 H GLY A 4 1.748 -9.369 2.777 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.133 -8.043 3.703 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.208 -7.715 2.251 1.00 0.00 H new ATOM 65 N ALA A 5 3.308 -5.989 4.822 1.00 0.00 N ATOM 66 CA ALA A 5 2.835 -4.798 5.518 1.00 0.00 C ATOM 67 C ALA A 5 3.547 -3.546 5.020 1.00 0.00 C ATOM 68 O ALA A 5 4.768 -3.536 4.861 1.00 0.00 O ATOM 69 CB ALA A 5 3.030 -4.953 7.018 1.00 0.00 C ATOM 0 H ALA A 5 4.270 -6.251 5.036 1.00 0.00 H new ATOM 0 HA ALA A 5 1.772 -4.686 5.307 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.673 -4.057 7.526 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.468 -5.818 7.370 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.089 -5.095 7.235 1.00 0.00 H new ATOM 75 N LEU A 6 2.776 -2.494 4.769 1.00 0.00 N ATOM 76 CA LEU A 6 3.333 -1.236 4.287 1.00 0.00 C ATOM 77 C LEU A 6 2.845 -0.062 5.128 1.00 0.00 C ATOM 78 O LEU A 6 1.673 0.008 5.498 1.00 0.00 O ATOM 79 CB LEU A 6 2.957 -1.017 2.819 1.00 0.00 C ATOM 80 CG LEU A 6 3.501 -2.067 1.847 1.00 0.00 C ATOM 81 CD1 LEU A 6 3.004 -1.791 0.435 1.00 0.00 C ATOM 82 CD2 LEU A 6 5.024 -2.093 1.883 1.00 0.00 C ATOM 0 H LEU A 6 1.763 -2.487 4.891 1.00 0.00 H new ATOM 0 HA LEU A 6 4.418 -1.294 4.374 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.870 -0.997 2.737 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.318 -0.036 2.510 1.00 0.00 H new ATOM 0 HG LEU A 6 3.135 -3.046 2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.400 -2.546 -0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.915 -1.824 0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.341 -0.805 0.117 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.392 -2.846 1.185 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.411 -1.115 1.599 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.360 -2.337 2.891 1.00 0.00 H new ATOM 94 N ASP A 7 3.754 0.859 5.423 1.00 0.00 N ATOM 95 CA ASP A 7 3.428 2.038 6.220 1.00 0.00 C ATOM 96 C ASP A 7 4.246 3.237 5.759 1.00 0.00 C ATOM 97 O ASP A 7 5.432 3.108 5.469 1.00 0.00 O ATOM 98 CB ASP A 7 3.686 1.767 7.701 1.00 0.00 C ATOM 99 CG ASP A 7 5.104 1.306 7.966 1.00 0.00 C ATOM 100 OD1 ASP A 7 5.476 0.224 7.468 1.00 0.00 O ATOM 101 OD2 ASP A 7 5.842 2.026 8.671 1.00 0.00 O ATOM 0 H ASP A 7 4.727 0.813 5.121 1.00 0.00 H new ATOM 0 HA ASP A 7 2.370 2.263 6.082 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.489 2.674 8.273 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.988 1.008 8.056 1.00 0.00 H new ATOM 106 N VAL A 8 3.608 4.401 5.695 1.00 0.00 N ATOM 107 CA VAL A 8 4.286 5.618 5.265 1.00 0.00 C ATOM 108 C VAL A 8 4.573 6.542 6.447 1.00 0.00 C ATOM 109 O VAL A 8 3.711 6.766 7.296 1.00 0.00 O ATOM 110 CB VAL A 8 3.452 6.383 4.217 1.00 0.00 C ATOM 111 CG1 VAL A 8 4.199 7.616 3.728 1.00 0.00 C ATOM 112 CG2 VAL A 8 3.094 5.471 3.054 1.00 0.00 C ATOM 0 H VAL A 8 2.625 4.527 5.935 1.00 0.00 H new ATOM 0 HA VAL A 8 5.230 5.311 4.816 1.00 0.00 H new ATOM 0 HB VAL A 8 2.527 6.715 4.689 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.592 8.140 2.990 1.00 0.00 H new ATOM 0 HG12 VAL A 8 4.398 8.279 4.570 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.142 7.313 3.273 1.00 0.00 H new ATOM 0 HG21 VAL A 8 2.506 6.027 2.324 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.007 5.107 2.583 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.512 4.625 3.421 1.00 0.00 H new ATOM 122 N GLY A 9 5.789 7.080 6.491 1.00 0.00 N ATOM 123 CA GLY A 9 6.162 7.976 7.571 1.00 0.00 C ATOM 124 C GLY A 9 7.559 8.547 7.404 1.00 0.00 C ATOM 125 O GLY A 9 8.515 7.808 7.167 1.00 0.00 O ATOM 0 H GLY A 9 6.520 6.912 5.800 1.00 0.00 H new ATOM 0 HA2 GLY A 9 5.444 8.794 7.623 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.104 7.440 8.518 1.00 0.00 H new ATOM 129 N GLU A 10 7.674 9.867 7.535 1.00 0.00 N ATOM 130 CA GLU A 10 8.959 10.546 7.406 1.00 0.00 C ATOM 131 C GLU A 10 9.615 10.231 6.067 1.00 0.00 C ATOM 132 O GLU A 10 10.773 9.822 6.006 1.00 0.00 O ATOM 133 CB GLU A 10 9.888 10.159 8.560 1.00 0.00 C ATOM 134 CG GLU A 10 11.190 10.943 8.591 1.00 0.00 C ATOM 135 CD GLU A 10 10.966 12.439 8.706 1.00 0.00 C ATOM 136 OE1 GLU A 10 10.350 12.873 9.700 1.00 0.00 O ATOM 137 OE2 GLU A 10 11.406 13.175 7.797 1.00 0.00 O ATOM 0 H GLU A 10 6.889 10.488 7.731 1.00 0.00 H new ATOM 0 HA GLU A 10 8.777 11.620 7.448 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.362 10.309 9.503 1.00 0.00 H new ATOM 0 HB3 GLU A 10 10.117 9.096 8.488 1.00 0.00 H new ATOM 0 HG2 GLU A 10 11.794 10.604 9.432 1.00 0.00 H new ATOM 0 HG3 GLU A 10 11.758 10.733 7.685 1.00 0.00 H new ATOM 144 N ALA A 11 8.860 10.430 4.996 1.00 0.00 N ATOM 145 CA ALA A 11 9.352 10.177 3.650 1.00 0.00 C ATOM 146 C ALA A 11 9.975 8.790 3.540 1.00 0.00 C ATOM 147 O ALA A 11 10.951 8.590 2.815 1.00 0.00 O ATOM 148 CB ALA A 11 10.358 11.244 3.248 1.00 0.00 C ATOM 0 H ALA A 11 7.898 10.768 5.034 1.00 0.00 H new ATOM 0 HA ALA A 11 8.503 10.217 2.968 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.718 11.043 2.239 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.880 12.223 3.274 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.198 11.232 3.942 1.00 0.00 H new ATOM 154 N ARG A 12 9.404 7.836 4.265 1.00 0.00 N ATOM 155 CA ARG A 12 9.904 6.469 4.260 1.00 0.00 C ATOM 156 C ARG A 12 8.772 5.477 4.489 1.00 0.00 C ATOM 157 O ARG A 12 7.881 5.712 5.305 1.00 0.00 O ATOM 158 CB ARG A 12 10.972 6.297 5.342 1.00 0.00 C ATOM 159 CG ARG A 12 11.546 4.892 5.421 1.00 0.00 C ATOM 160 CD ARG A 12 12.561 4.770 6.547 1.00 0.00 C ATOM 161 NE ARG A 12 13.687 5.685 6.371 1.00 0.00 N ATOM 162 CZ ARG A 12 14.706 5.778 7.223 1.00 0.00 C ATOM 163 NH1 ARG A 12 14.742 5.016 8.310 1.00 0.00 N ATOM 164 NH2 ARG A 12 15.689 6.635 6.989 1.00 0.00 N ATOM 0 H ARG A 12 8.593 7.985 4.865 1.00 0.00 H new ATOM 0 HA ARG A 12 10.345 6.270 3.283 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.783 7.000 5.154 1.00 0.00 H new ATOM 0 HB3 ARG A 12 10.542 6.558 6.309 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.739 4.176 5.577 1.00 0.00 H new ATOM 0 HG3 ARG A 12 12.020 4.637 4.473 1.00 0.00 H new ATOM 0 HD2 ARG A 12 12.072 4.976 7.499 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.930 3.745 6.593 1.00 0.00 H new ATOM 0 HE ARG A 12 13.693 6.287 5.548 1.00 0.00 H new ATOM 0 HH11 ARG A 12 13.987 4.356 8.495 1.00 0.00 H new ATOM 0 HH12 ARG A 12 15.525 5.091 8.960 1.00 0.00 H new ATOM 0 HH21 ARG A 12 15.665 7.223 6.156 1.00 0.00 H new ATOM 0 HH22 ARG A 12 16.470 6.706 7.642 1.00 0.00 H new ATOM 178 N ILE A 13 8.817 4.365 3.766 1.00 0.00 N ATOM 179 CA ILE A 13 7.800 3.331 3.893 1.00 0.00 C ATOM 180 C ILE A 13 8.333 2.148 4.696 1.00 0.00 C ATOM 181 O ILE A 13 9.404 1.623 4.397 1.00 0.00 O ATOM 182 CB ILE A 13 7.326 2.837 2.511 1.00 0.00 C ATOM 183 CG1 ILE A 13 6.811 4.010 1.676 1.00 0.00 C ATOM 184 CG2 ILE A 13 6.243 1.777 2.665 1.00 0.00 C ATOM 185 CD1 ILE A 13 6.337 3.607 0.296 1.00 0.00 C ATOM 0 H ILE A 13 9.548 4.157 3.085 1.00 0.00 H new ATOM 0 HA ILE A 13 6.952 3.772 4.416 1.00 0.00 H new ATOM 0 HB ILE A 13 8.174 2.388 1.994 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.990 4.491 2.207 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.604 4.751 1.577 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.921 1.440 1.680 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.639 0.931 3.226 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.393 2.201 3.200 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.986 4.489 -0.240 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.161 3.153 -0.254 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.522 2.889 0.387 1.00 0.00 H new ATOM 197 N GLY A 14 7.587 1.731 5.717 1.00 0.00 N ATOM 198 CA GLY A 14 8.022 0.612 6.531 1.00 0.00 C ATOM 199 C GLY A 14 7.648 -0.727 5.926 1.00 0.00 C ATOM 200 O GLY A 14 6.496 -0.942 5.546 1.00 0.00 O ATOM 0 H GLY A 14 6.696 2.145 5.992 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.103 0.659 6.660 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.579 0.695 7.523 1.00 0.00 H new ATOM 204 N LEU A 15 8.622 -1.628 5.839 1.00 0.00 N ATOM 205 CA LEU A 15 8.390 -2.956 5.278 1.00 0.00 C ATOM 206 C LEU A 15 8.335 -4.010 6.378 1.00 0.00 C ATOM 207 O LEU A 15 9.202 -4.058 7.251 1.00 0.00 O ATOM 208 CB LEU A 15 9.489 -3.311 4.275 1.00 0.00 C ATOM 209 CG LEU A 15 9.553 -2.419 3.035 1.00 0.00 C ATOM 210 CD1 LEU A 15 10.687 -2.859 2.119 1.00 0.00 C ATOM 211 CD2 LEU A 15 8.225 -2.444 2.292 1.00 0.00 C ATOM 0 H LEU A 15 9.579 -1.463 6.150 1.00 0.00 H new ATOM 0 HA LEU A 15 7.429 -2.940 4.764 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.452 -3.267 4.785 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.346 -4.343 3.954 1.00 0.00 H new ATOM 0 HG LEU A 15 9.748 -1.396 3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.718 -2.213 1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 15 11.634 -2.790 2.654 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.522 -3.890 1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.288 -1.804 1.412 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.000 -3.465 1.983 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.434 -2.081 2.948 1.00 0.00 H new ATOM 223 N ALA A 16 7.309 -4.853 6.329 1.00 0.00 N ATOM 224 CA ALA A 16 7.136 -5.906 7.322 1.00 0.00 C ATOM 225 C ALA A 16 6.416 -7.107 6.721 1.00 0.00 C ATOM 226 O ALA A 16 5.564 -6.958 5.845 1.00 0.00 O ATOM 227 CB ALA A 16 6.372 -5.375 8.526 1.00 0.00 C ATOM 0 H ALA A 16 6.584 -4.827 5.612 1.00 0.00 H new ATOM 0 HA ALA A 16 8.123 -6.233 7.650 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.250 -6.172 9.260 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.927 -4.551 8.974 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.391 -5.022 8.208 1.00 0.00 H new ATOM 233 N VAL A 17 6.763 -8.299 7.197 1.00 0.00 N ATOM 234 CA VAL A 17 6.148 -9.521 6.702 1.00 0.00 C ATOM 235 C VAL A 17 5.959 -10.537 7.824 1.00 0.00 C ATOM 236 O VAL A 17 6.923 -10.978 8.449 1.00 0.00 O ATOM 237 CB VAL A 17 6.996 -10.157 5.582 1.00 0.00 C ATOM 238 CG1 VAL A 17 6.307 -11.387 5.011 1.00 0.00 C ATOM 239 CG2 VAL A 17 7.281 -9.141 4.488 1.00 0.00 C ATOM 0 H VAL A 17 7.465 -8.442 7.923 1.00 0.00 H new ATOM 0 HA VAL A 17 5.173 -9.247 6.300 1.00 0.00 H new ATOM 0 HB VAL A 17 7.946 -10.474 6.012 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.925 -11.817 4.223 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.163 -12.123 5.802 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.339 -11.103 4.599 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.880 -9.607 3.706 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.340 -8.790 4.064 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.827 -8.297 4.909 1.00 0.00 H new ATOM 249 N GLY A 18 4.705 -10.906 8.069 1.00 0.00 N ATOM 250 CA GLY A 18 4.400 -11.868 9.111 1.00 0.00 C ATOM 251 C GLY A 18 2.912 -12.135 9.230 1.00 0.00 C ATOM 252 O GLY A 18 2.179 -12.050 8.245 1.00 0.00 O ATOM 0 H GLY A 18 3.893 -10.554 7.562 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.919 -12.803 8.902 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.778 -11.500 10.065 1.00 0.00 H new ATOM 370 N ARG A 28 11.671 -5.593 8.831 1.00 0.00 N ATOM 371 CA ARG A 28 12.448 -6.206 7.757 1.00 0.00 C ATOM 372 C ARG A 28 13.262 -5.155 7.010 1.00 0.00 C ATOM 373 O ARG A 28 14.443 -5.355 6.727 1.00 0.00 O ATOM 374 CB ARG A 28 11.527 -6.937 6.775 1.00 0.00 C ATOM 375 CG ARG A 28 10.817 -8.141 7.376 1.00 0.00 C ATOM 376 CD ARG A 28 11.805 -9.205 7.825 1.00 0.00 C ATOM 377 NE ARG A 28 12.589 -9.732 6.711 1.00 0.00 N ATOM 378 CZ ARG A 28 12.075 -10.445 5.711 1.00 0.00 C ATOM 379 NH1 ARG A 28 10.786 -10.762 5.705 1.00 0.00 N ATOM 380 NH2 ARG A 28 12.856 -10.856 4.721 1.00 0.00 N ATOM 0 HA ARG A 28 13.131 -6.926 8.208 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.780 -6.236 6.402 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.114 -7.265 5.917 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.214 -7.822 8.226 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.133 -8.565 6.641 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.477 -8.783 8.573 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.265 -10.021 8.306 1.00 0.00 H new ATOM 0 HE ARG A 28 13.591 -9.542 6.698 1.00 0.00 H new ATOM 0 HH11 ARG A 28 10.183 -10.459 6.470 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.399 -11.308 4.936 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.850 -10.626 4.726 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.463 -11.402 3.955 1.00 0.00 H new ATOM 394 N GLY A 29 12.622 -4.036 6.693 1.00 0.00 N ATOM 395 CA GLY A 29 13.301 -2.965 5.983 1.00 0.00 C ATOM 396 C GLY A 29 12.437 -1.729 5.844 1.00 0.00 C ATOM 397 O GLY A 29 11.711 -1.367 6.769 1.00 0.00 O ATOM 0 H GLY A 29 11.644 -3.850 6.915 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.219 -2.706 6.511 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.591 -3.316 4.993 1.00 0.00 H new ATOM 401 N TYR A 30 12.510 -1.080 4.685 1.00 0.00 N ATOM 402 CA TYR A 30 11.724 0.123 4.434 1.00 0.00 C ATOM 403 C TYR A 30 11.988 0.675 3.036 1.00 0.00 C ATOM 404 O TYR A 30 13.124 0.677 2.561 1.00 0.00 O ATOM 405 CB TYR A 30 12.029 1.190 5.490 1.00 0.00 C ATOM 406 CG TYR A 30 13.489 1.572 5.575 1.00 0.00 C ATOM 407 CD1 TYR A 30 14.114 2.256 4.539 1.00 0.00 C ATOM 408 CD2 TYR A 30 14.244 1.256 6.700 1.00 0.00 C ATOM 409 CE1 TYR A 30 15.448 2.612 4.621 1.00 0.00 C ATOM 410 CE2 TYR A 30 15.576 1.608 6.787 1.00 0.00 C ATOM 411 CZ TYR A 30 16.174 2.284 5.746 1.00 0.00 C ATOM 412 OH TYR A 30 17.501 2.636 5.829 1.00 0.00 O ATOM 0 H TYR A 30 13.104 -1.367 3.907 1.00 0.00 H new ATOM 0 HA TYR A 30 10.670 -0.147 4.497 1.00 0.00 H new ATOM 0 HB2 TYR A 30 11.443 2.082 5.270 1.00 0.00 H new ATOM 0 HB3 TYR A 30 11.702 0.826 6.464 1.00 0.00 H new ATOM 0 HD1 TYR A 30 13.549 2.514 3.656 1.00 0.00 H new ATOM 0 HD2 TYR A 30 13.780 0.726 7.519 1.00 0.00 H new ATOM 0 HE1 TYR A 30 15.919 3.144 3.808 1.00 0.00 H new ATOM 0 HE2 TYR A 30 16.147 1.354 7.668 1.00 0.00 H new ATOM 0 HH TYR A 30 17.867 2.332 6.686 1.00 0.00 H new ATOM 422 N LEU A 31 10.928 1.143 2.382 1.00 0.00 N ATOM 423 CA LEU A 31 11.044 1.704 1.041 1.00 0.00 C ATOM 424 C LEU A 31 10.912 3.225 1.083 1.00 0.00 C ATOM 425 O LEU A 31 9.905 3.755 1.551 1.00 0.00 O ATOM 426 CB LEU A 31 9.969 1.114 0.122 1.00 0.00 C ATOM 427 CG LEU A 31 9.958 -0.413 0.032 1.00 0.00 C ATOM 428 CD1 LEU A 31 8.823 -0.886 -0.863 1.00 0.00 C ATOM 429 CD2 LEU A 31 11.294 -0.924 -0.483 1.00 0.00 C ATOM 0 H LEU A 31 9.980 1.144 2.759 1.00 0.00 H new ATOM 0 HA LEU A 31 12.027 1.448 0.647 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.992 1.449 0.470 1.00 0.00 H new ATOM 0 HB3 LEU A 31 10.107 1.520 -0.880 1.00 0.00 H new ATOM 0 HG LEU A 31 9.797 -0.817 1.031 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.831 -1.975 -0.915 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.871 -0.549 -0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.953 -0.474 -1.864 1.00 0.00 H new ATOM 0 HD21 LEU A 31 11.269 -2.012 -0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 31 11.484 -0.512 -1.474 1.00 0.00 H new ATOM 0 HD23 LEU A 31 12.088 -0.615 0.196 1.00 0.00 H new ATOM 441 N VAL A 32 11.923 3.922 0.576 1.00 0.00 N ATOM 442 CA VAL A 32 11.906 5.381 0.546 1.00 0.00 C ATOM 443 C VAL A 32 10.923 5.878 -0.508 1.00 0.00 C ATOM 444 O VAL A 32 10.715 5.216 -1.521 1.00 0.00 O ATOM 445 CB VAL A 32 13.304 5.955 0.248 1.00 0.00 C ATOM 446 CG1 VAL A 32 13.280 7.476 0.280 1.00 0.00 C ATOM 447 CG2 VAL A 32 14.326 5.411 1.236 1.00 0.00 C ATOM 0 H VAL A 32 12.764 3.501 0.181 1.00 0.00 H new ATOM 0 HA VAL A 32 11.593 5.724 1.532 1.00 0.00 H new ATOM 0 HB VAL A 32 13.596 5.642 -0.754 1.00 0.00 H new ATOM 0 HG11 VAL A 32 14.278 7.860 0.067 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.581 7.845 -0.471 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.964 7.814 1.267 1.00 0.00 H new ATOM 0 HG21 VAL A 32 15.308 5.827 1.010 1.00 0.00 H new ATOM 0 HG22 VAL A 32 14.037 5.691 2.249 1.00 0.00 H new ATOM 0 HG23 VAL A 32 14.366 4.325 1.157 1.00 0.00 H new ATOM 457 N ARG A 33 10.316 7.041 -0.271 1.00 0.00 N ATOM 458 CA ARG A 33 9.352 7.604 -1.219 1.00 0.00 C ATOM 459 C ARG A 33 9.887 7.557 -2.650 1.00 0.00 C ATOM 460 O ARG A 33 11.093 7.656 -2.877 1.00 0.00 O ATOM 461 CB ARG A 33 9.002 9.046 -0.848 1.00 0.00 C ATOM 462 CG ARG A 33 8.234 9.176 0.455 1.00 0.00 C ATOM 463 CD ARG A 33 7.768 10.605 0.681 1.00 0.00 C ATOM 464 NE ARG A 33 8.887 11.541 0.760 1.00 0.00 N ATOM 465 CZ ARG A 33 8.747 12.851 0.946 1.00 0.00 C ATOM 466 NH1 ARG A 33 7.538 13.385 1.076 1.00 0.00 N ATOM 467 NH2 ARG A 33 9.818 13.632 1.005 1.00 0.00 N ATOM 0 H ARG A 33 10.472 7.608 0.562 1.00 0.00 H new ATOM 0 HA ARG A 33 8.450 6.994 -1.165 1.00 0.00 H new ATOM 0 HB2 ARG A 33 9.922 9.626 -0.776 1.00 0.00 H new ATOM 0 HB3 ARG A 33 8.411 9.485 -1.652 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.373 8.508 0.440 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.866 8.862 1.285 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.104 10.902 -0.131 1.00 0.00 H new ATOM 0 HD3 ARG A 33 7.188 10.655 1.602 1.00 0.00 H new ATOM 0 HE ARG A 33 9.832 11.168 0.667 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.710 12.790 1.033 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.437 14.390 1.218 1.00 0.00 H new ATOM 0 HH21 ARG A 33 10.750 13.228 0.908 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.710 14.636 1.148 1.00 0.00 H new ATOM 481 N LYS A 34 8.976 7.403 -3.608 1.00 0.00 N ATOM 482 CA LYS A 34 9.349 7.339 -5.016 1.00 0.00 C ATOM 483 C LYS A 34 8.275 8.012 -5.882 1.00 0.00 C ATOM 484 O LYS A 34 7.984 9.193 -5.684 1.00 0.00 O ATOM 485 CB LYS A 34 9.578 5.881 -5.428 1.00 0.00 C ATOM 486 CG LYS A 34 10.554 5.156 -4.512 1.00 0.00 C ATOM 487 CD LYS A 34 10.867 3.754 -5.006 1.00 0.00 C ATOM 488 CE LYS A 34 11.759 3.007 -4.027 1.00 0.00 C ATOM 489 NZ LYS A 34 13.063 3.696 -3.819 1.00 0.00 N ATOM 0 H LYS A 34 7.974 7.320 -3.433 1.00 0.00 H new ATOM 0 HA LYS A 34 10.282 7.882 -5.170 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.624 5.353 -5.426 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.956 5.852 -6.450 1.00 0.00 H new ATOM 0 HG2 LYS A 34 11.478 5.730 -4.441 1.00 0.00 H new ATOM 0 HG3 LYS A 34 10.135 5.101 -3.507 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.938 3.201 -5.149 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.358 3.810 -5.978 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.245 2.909 -3.071 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.938 1.998 -4.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.702 3.075 -3.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.489 3.919 -4.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.910 4.576 -3.287 1.00 0.00 H new ATOM 503 N THR A 35 7.686 7.288 -6.836 1.00 0.00 N ATOM 504 CA THR A 35 6.660 7.879 -7.690 1.00 0.00 C ATOM 505 C THR A 35 5.696 6.845 -8.265 1.00 0.00 C ATOM 506 O THR A 35 6.107 5.855 -8.858 1.00 0.00 O ATOM 507 CB THR A 35 7.286 8.671 -8.850 1.00 0.00 C ATOM 508 OG1 THR A 35 8.276 7.875 -9.510 1.00 0.00 O ATOM 509 CG2 THR A 35 7.907 9.961 -8.342 1.00 0.00 C ATOM 0 H THR A 35 7.898 6.310 -7.033 1.00 0.00 H new ATOM 0 HA THR A 35 6.094 8.550 -7.044 1.00 0.00 H new ATOM 0 HB THR A 35 6.500 8.923 -9.562 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.927 6.971 -9.653 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.345 10.508 -9.177 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.139 10.574 -7.870 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.684 9.729 -7.613 1.00 0.00 H new ATOM 517 N LEU A 36 4.405 7.123 -8.068 1.00 0.00 N ATOM 518 CA LEU A 36 3.288 6.285 -8.535 1.00 0.00 C ATOM 519 C LEU A 36 3.704 4.952 -9.169 1.00 0.00 C ATOM 520 O LEU A 36 3.440 3.890 -8.611 1.00 0.00 O ATOM 521 CB LEU A 36 2.449 7.074 -9.543 1.00 0.00 C ATOM 522 CG LEU A 36 1.860 8.386 -9.018 1.00 0.00 C ATOM 523 CD1 LEU A 36 1.140 9.129 -10.132 1.00 0.00 C ATOM 524 CD2 LEU A 36 0.916 8.122 -7.853 1.00 0.00 C ATOM 0 H LEU A 36 4.096 7.956 -7.568 1.00 0.00 H new ATOM 0 HA LEU A 36 2.718 6.030 -7.642 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.068 7.295 -10.412 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.632 6.440 -9.886 1.00 0.00 H new ATOM 0 HG LEU A 36 2.678 9.011 -8.660 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.727 10.059 -9.741 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.843 9.353 -10.934 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.332 8.509 -10.520 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.508 9.067 -7.494 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.102 7.477 -8.183 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.462 7.633 -7.046 1.00 0.00 H new ATOM 536 N GLU A 37 4.321 5.014 -10.348 1.00 0.00 N ATOM 537 CA GLU A 37 4.729 3.805 -11.066 1.00 0.00 C ATOM 538 C GLU A 37 5.846 3.068 -10.341 1.00 0.00 C ATOM 539 O GLU A 37 5.792 1.851 -10.171 1.00 0.00 O ATOM 540 CB GLU A 37 5.172 4.159 -12.487 1.00 0.00 C ATOM 541 CG GLU A 37 6.339 5.131 -12.541 1.00 0.00 C ATOM 542 CD GLU A 37 6.735 5.489 -13.960 1.00 0.00 C ATOM 543 OE1 GLU A 37 7.100 4.571 -14.725 1.00 0.00 O ATOM 544 OE2 GLU A 37 6.678 6.687 -14.308 1.00 0.00 O ATOM 0 H GLU A 37 4.549 5.886 -10.826 1.00 0.00 H new ATOM 0 HA GLU A 37 3.866 3.141 -11.110 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.449 3.244 -13.010 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.327 4.590 -13.024 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.075 6.040 -12.001 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.196 4.693 -12.028 1.00 0.00 H new ATOM 551 N GLU A 38 6.854 3.813 -9.922 1.00 0.00 N ATOM 552 CA GLU A 38 7.989 3.231 -9.217 1.00 0.00 C ATOM 553 C GLU A 38 7.537 2.512 -7.947 1.00 0.00 C ATOM 554 O GLU A 38 7.893 1.355 -7.721 1.00 0.00 O ATOM 555 CB GLU A 38 9.005 4.320 -8.875 1.00 0.00 C ATOM 556 CG GLU A 38 10.164 3.818 -8.037 1.00 0.00 C ATOM 557 CD GLU A 38 10.987 2.763 -8.749 1.00 0.00 C ATOM 558 OE1 GLU A 38 10.421 1.708 -9.105 1.00 0.00 O ATOM 559 OE2 GLU A 38 12.197 2.993 -8.952 1.00 0.00 O ATOM 0 H GLU A 38 6.912 4.822 -10.056 1.00 0.00 H new ATOM 0 HA GLU A 38 8.458 2.496 -9.871 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.393 4.748 -9.799 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.499 5.123 -8.339 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.807 4.658 -7.773 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.780 3.405 -7.104 1.00 0.00 H new ATOM 566 N ASP A 39 6.748 3.195 -7.122 1.00 0.00 N ATOM 567 CA ASP A 39 6.246 2.604 -5.880 1.00 0.00 C ATOM 568 C ASP A 39 5.660 1.224 -6.150 1.00 0.00 C ATOM 569 O ASP A 39 5.953 0.262 -5.440 1.00 0.00 O ATOM 570 CB ASP A 39 5.185 3.501 -5.241 1.00 0.00 C ATOM 571 CG ASP A 39 5.745 4.841 -4.811 1.00 0.00 C ATOM 572 OD1 ASP A 39 6.259 5.573 -5.679 1.00 0.00 O ATOM 573 OD2 ASP A 39 5.669 5.157 -3.606 1.00 0.00 O ATOM 0 H ASP A 39 6.442 4.154 -7.288 1.00 0.00 H new ATOM 0 HA ASP A 39 7.083 2.508 -5.189 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.373 3.660 -5.950 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.758 2.994 -4.376 1.00 0.00 H new ATOM 578 N VAL A 40 4.851 1.132 -7.201 1.00 0.00 N ATOM 579 CA VAL A 40 4.245 -0.136 -7.589 1.00 0.00 C ATOM 580 C VAL A 40 5.345 -1.116 -7.947 1.00 0.00 C ATOM 581 O VAL A 40 5.390 -2.245 -7.460 1.00 0.00 O ATOM 582 CB VAL A 40 3.334 0.023 -8.821 1.00 0.00 C ATOM 583 CG1 VAL A 40 2.415 -1.177 -8.976 1.00 0.00 C ATOM 584 CG2 VAL A 40 2.546 1.316 -8.750 1.00 0.00 C ATOM 0 H VAL A 40 4.600 1.920 -7.798 1.00 0.00 H new ATOM 0 HA VAL A 40 3.646 -0.492 -6.751 1.00 0.00 H new ATOM 0 HB VAL A 40 3.968 0.071 -9.706 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.782 -1.040 -9.853 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.013 -2.080 -9.098 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.789 -1.273 -8.089 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.911 1.404 -9.631 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.925 1.315 -7.854 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.235 2.160 -8.713 1.00 0.00 H new ATOM 594 N GLU A 41 6.240 -0.643 -8.804 1.00 0.00 N ATOM 595 CA GLU A 41 7.377 -1.432 -9.259 1.00 0.00 C ATOM 596 C GLU A 41 8.166 -1.993 -8.076 1.00 0.00 C ATOM 597 O GLU A 41 8.505 -3.176 -8.051 1.00 0.00 O ATOM 598 CB GLU A 41 8.282 -0.564 -10.140 1.00 0.00 C ATOM 599 CG GLU A 41 9.565 -1.250 -10.575 1.00 0.00 C ATOM 600 CD GLU A 41 10.395 -0.396 -11.511 1.00 0.00 C ATOM 601 OE1 GLU A 41 9.891 -0.043 -12.599 1.00 0.00 O ATOM 602 OE2 GLU A 41 11.550 -0.080 -11.159 1.00 0.00 O ATOM 0 H GLU A 41 6.199 0.295 -9.202 1.00 0.00 H new ATOM 0 HA GLU A 41 7.006 -2.275 -9.841 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.726 -0.261 -11.027 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.535 0.346 -9.597 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.157 -1.497 -9.694 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.320 -2.191 -11.069 1.00 0.00 H new ATOM 609 N ALA A 42 8.450 -1.141 -7.095 1.00 0.00 N ATOM 610 CA ALA A 42 9.193 -1.557 -5.911 1.00 0.00 C ATOM 611 C ALA A 42 8.418 -2.605 -5.117 1.00 0.00 C ATOM 612 O ALA A 42 8.980 -3.607 -4.674 1.00 0.00 O ATOM 613 CB ALA A 42 9.506 -0.354 -5.033 1.00 0.00 C ATOM 0 H ALA A 42 8.177 -0.158 -7.097 1.00 0.00 H new ATOM 0 HA ALA A 42 10.130 -2.006 -6.240 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.061 -0.680 -4.153 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.106 0.361 -5.596 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.576 0.120 -4.720 1.00 0.00 H new ATOM 619 N LEU A 43 7.124 -2.362 -4.942 1.00 0.00 N ATOM 620 CA LEU A 43 6.264 -3.277 -4.199 1.00 0.00 C ATOM 621 C LEU A 43 6.089 -4.604 -4.931 1.00 0.00 C ATOM 622 O LEU A 43 6.120 -5.668 -4.313 1.00 0.00 O ATOM 623 CB LEU A 43 4.899 -2.633 -3.949 1.00 0.00 C ATOM 624 CG LEU A 43 4.918 -1.433 -3.002 1.00 0.00 C ATOM 625 CD1 LEU A 43 3.537 -0.801 -2.914 1.00 0.00 C ATOM 626 CD2 LEU A 43 5.399 -1.854 -1.622 1.00 0.00 C ATOM 0 H LEU A 43 6.646 -1.537 -5.305 1.00 0.00 H new ATOM 0 HA LEU A 43 6.747 -3.483 -3.244 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.482 -2.316 -4.905 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.226 -3.388 -3.542 1.00 0.00 H new ATOM 0 HG LEU A 43 5.611 -0.691 -3.399 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.570 0.052 -2.236 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.227 -0.466 -3.904 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.824 -1.536 -2.540 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.407 -0.988 -0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.729 -2.613 -1.219 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.407 -2.263 -1.697 1.00 0.00 H new ATOM 638 N LEU A 44 5.904 -4.541 -6.246 1.00 0.00 N ATOM 639 CA LEU A 44 5.725 -5.750 -7.042 1.00 0.00 C ATOM 640 C LEU A 44 6.932 -6.669 -6.920 1.00 0.00 C ATOM 641 O LEU A 44 6.801 -7.830 -6.534 1.00 0.00 O ATOM 642 CB LEU A 44 5.484 -5.397 -8.511 1.00 0.00 C ATOM 643 CG LEU A 44 4.140 -4.730 -8.802 1.00 0.00 C ATOM 644 CD1 LEU A 44 4.011 -4.418 -10.285 1.00 0.00 C ATOM 645 CD2 LEU A 44 2.999 -5.622 -8.338 1.00 0.00 C ATOM 0 H LEU A 44 5.874 -3.672 -6.780 1.00 0.00 H new ATOM 0 HA LEU A 44 4.851 -6.275 -6.657 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.282 -4.734 -8.846 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.557 -6.308 -9.105 1.00 0.00 H new ATOM 0 HG LEU A 44 4.089 -3.791 -8.251 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.048 -3.943 -10.475 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.813 -3.744 -10.586 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.079 -5.342 -10.859 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.047 -5.136 -8.551 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.045 -6.575 -8.865 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.086 -5.795 -7.265 1.00 0.00 H new ATOM 657 N ASP A 45 8.112 -6.146 -7.240 1.00 0.00 N ATOM 658 CA ASP A 45 9.340 -6.929 -7.158 1.00 0.00 C ATOM 659 C ASP A 45 9.435 -7.649 -5.817 1.00 0.00 C ATOM 660 O ASP A 45 9.893 -8.788 -5.743 1.00 0.00 O ATOM 661 CB ASP A 45 10.563 -6.032 -7.356 1.00 0.00 C ATOM 662 CG ASP A 45 10.596 -5.391 -8.730 1.00 0.00 C ATOM 663 OD1 ASP A 45 10.588 -6.135 -9.732 1.00 0.00 O ATOM 664 OD2 ASP A 45 10.636 -4.145 -8.805 1.00 0.00 O ATOM 0 H ASP A 45 8.243 -5.186 -7.558 1.00 0.00 H new ATOM 0 HA ASP A 45 9.317 -7.675 -7.953 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.565 -5.252 -6.595 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.469 -6.621 -7.211 1.00 0.00 H new ATOM 669 N PHE A 46 8.997 -6.973 -4.761 1.00 0.00 N ATOM 670 CA PHE A 46 9.029 -7.545 -3.421 1.00 0.00 C ATOM 671 C PHE A 46 7.952 -8.615 -3.254 1.00 0.00 C ATOM 672 O PHE A 46 8.194 -9.664 -2.664 1.00 0.00 O ATOM 673 CB PHE A 46 8.841 -6.444 -2.375 1.00 0.00 C ATOM 674 CG PHE A 46 8.872 -6.945 -0.957 1.00 0.00 C ATOM 675 CD1 PHE A 46 9.824 -7.868 -0.555 1.00 0.00 C ATOM 676 CD2 PHE A 46 7.949 -6.492 -0.030 1.00 0.00 C ATOM 677 CE1 PHE A 46 9.854 -8.330 0.747 1.00 0.00 C ATOM 678 CE2 PHE A 46 7.973 -6.949 1.273 1.00 0.00 C ATOM 679 CZ PHE A 46 8.927 -7.869 1.663 1.00 0.00 C ATOM 0 H PHE A 46 8.616 -6.028 -4.807 1.00 0.00 H new ATOM 0 HA PHE A 46 10.001 -8.016 -3.276 1.00 0.00 H new ATOM 0 HB2 PHE A 46 9.623 -5.696 -2.504 1.00 0.00 H new ATOM 0 HB3 PHE A 46 7.889 -5.944 -2.554 1.00 0.00 H new ATOM 0 HD1 PHE A 46 10.551 -8.230 -1.267 1.00 0.00 H new ATOM 0 HD2 PHE A 46 7.201 -5.773 -0.329 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.600 -9.050 1.048 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.247 -6.588 1.986 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.949 -8.227 2.682 1.00 0.00 H new ATOM 689 N VAL A 47 6.757 -8.333 -3.765 1.00 0.00 N ATOM 690 CA VAL A 47 5.636 -9.262 -3.660 1.00 0.00 C ATOM 691 C VAL A 47 5.905 -10.577 -4.398 1.00 0.00 C ATOM 692 O VAL A 47 5.717 -11.657 -3.838 1.00 0.00 O ATOM 693 CB VAL A 47 4.339 -8.624 -4.202 1.00 0.00 C ATOM 694 CG1 VAL A 47 3.166 -9.589 -4.087 1.00 0.00 C ATOM 695 CG2 VAL A 47 4.040 -7.323 -3.469 1.00 0.00 C ATOM 0 H VAL A 47 6.540 -7.466 -4.257 1.00 0.00 H new ATOM 0 HA VAL A 47 5.515 -9.486 -2.600 1.00 0.00 H new ATOM 0 HB VAL A 47 4.486 -8.400 -5.259 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.265 -9.114 -4.476 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.379 -10.490 -4.662 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.014 -9.854 -3.041 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.123 -6.886 -3.863 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.918 -7.525 -2.405 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.865 -6.626 -3.614 1.00 0.00 H new ATOM 705 N ARG A 48 6.334 -10.485 -5.655 1.00 0.00 N ATOM 706 CA ARG A 48 6.609 -11.682 -6.454 1.00 0.00 C ATOM 707 C ARG A 48 7.888 -12.394 -6.012 1.00 0.00 C ATOM 708 O ARG A 48 7.851 -13.549 -5.585 1.00 0.00 O ATOM 709 CB ARG A 48 6.702 -11.352 -7.951 1.00 0.00 C ATOM 710 CG ARG A 48 7.126 -9.926 -8.268 1.00 0.00 C ATOM 711 CD ARG A 48 7.397 -9.744 -9.753 1.00 0.00 C ATOM 712 NE ARG A 48 7.806 -8.378 -10.073 1.00 0.00 N ATOM 713 CZ ARG A 48 8.103 -7.963 -11.303 1.00 0.00 C ATOM 714 NH1 ARG A 48 8.040 -8.804 -12.329 1.00 0.00 N ATOM 715 NH2 ARG A 48 8.464 -6.704 -11.508 1.00 0.00 N ATOM 0 H ARG A 48 6.498 -9.603 -6.141 1.00 0.00 H new ATOM 0 HA ARG A 48 5.767 -12.354 -6.287 1.00 0.00 H new ATOM 0 HB2 ARG A 48 7.410 -12.038 -8.416 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.731 -11.537 -8.410 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.345 -9.234 -7.952 1.00 0.00 H new ATOM 0 HG3 ARG A 48 8.022 -9.677 -7.700 1.00 0.00 H new ATOM 0 HD2 ARG A 48 8.176 -10.438 -10.067 1.00 0.00 H new ATOM 0 HD3 ARG A 48 6.500 -9.995 -10.318 1.00 0.00 H new ATOM 0 HE ARG A 48 7.868 -7.704 -9.310 1.00 0.00 H new ATOM 0 HH11 ARG A 48 7.763 -9.774 -12.177 1.00 0.00 H new ATOM 0 HH12 ARG A 48 8.269 -8.480 -13.269 1.00 0.00 H new ATOM 0 HH21 ARG A 48 8.514 -6.054 -10.724 1.00 0.00 H new ATOM 0 HH22 ARG A 48 8.692 -6.386 -12.450 1.00 0.00 H new ATOM 729 N ARG A 49 9.016 -11.709 -6.139 1.00 0.00 N ATOM 730 CA ARG A 49 10.313 -12.281 -5.775 1.00 0.00 C ATOM 731 C ARG A 49 10.282 -12.945 -4.399 1.00 0.00 C ATOM 732 O ARG A 49 10.686 -14.097 -4.248 1.00 0.00 O ATOM 733 CB ARG A 49 11.395 -11.202 -5.804 1.00 0.00 C ATOM 734 CG ARG A 49 11.549 -10.530 -7.159 1.00 0.00 C ATOM 735 CD ARG A 49 11.925 -11.534 -8.237 1.00 0.00 C ATOM 736 NE ARG A 49 13.198 -12.194 -7.955 1.00 0.00 N ATOM 737 CZ ARG A 49 14.372 -11.569 -7.945 1.00 0.00 C ATOM 738 NH1 ARG A 49 14.452 -10.280 -8.251 1.00 0.00 N ATOM 739 NH2 ARG A 49 15.476 -12.241 -7.642 1.00 0.00 N ATOM 0 H ARG A 49 9.063 -10.753 -6.492 1.00 0.00 H new ATOM 0 HA ARG A 49 10.544 -13.051 -6.511 1.00 0.00 H new ATOM 0 HB2 ARG A 49 11.160 -10.444 -5.057 1.00 0.00 H new ATOM 0 HB3 ARG A 49 12.348 -11.647 -5.518 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.616 -10.036 -7.430 1.00 0.00 H new ATOM 0 HG3 ARG A 49 12.314 -9.756 -7.098 1.00 0.00 H new ATOM 0 HD2 ARG A 49 11.139 -12.285 -8.322 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.986 -11.026 -9.199 1.00 0.00 H new ATOM 0 HE ARG A 49 13.185 -13.194 -7.754 1.00 0.00 H new ATOM 0 HH11 ARG A 49 13.609 -9.761 -8.496 1.00 0.00 H new ATOM 0 HH12 ARG A 49 15.356 -9.809 -8.241 1.00 0.00 H new ATOM 0 HH21 ARG A 49 15.423 -13.235 -7.418 1.00 0.00 H new ATOM 0 HH22 ARG A 49 16.377 -11.764 -7.634 1.00 0.00 H new ATOM 753 N GLU A 50 9.807 -12.215 -3.395 1.00 0.00 N ATOM 754 CA GLU A 50 9.736 -12.744 -2.035 1.00 0.00 C ATOM 755 C GLU A 50 8.569 -13.723 -1.878 1.00 0.00 C ATOM 756 O GLU A 50 8.407 -14.341 -0.825 1.00 0.00 O ATOM 757 CB GLU A 50 9.601 -11.604 -1.023 1.00 0.00 C ATOM 758 CG GLU A 50 9.666 -12.055 0.427 1.00 0.00 C ATOM 759 CD GLU A 50 10.990 -12.709 0.782 1.00 0.00 C ATOM 760 OE1 GLU A 50 11.877 -12.774 -0.095 1.00 0.00 O ATOM 761 OE2 GLU A 50 11.140 -13.152 1.939 1.00 0.00 O ATOM 0 H GLU A 50 9.466 -11.259 -3.495 1.00 0.00 H new ATOM 0 HA GLU A 50 10.663 -13.285 -1.842 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.393 -10.877 -1.203 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.654 -11.092 -1.192 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.505 -11.195 1.078 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.856 -12.758 0.621 1.00 0.00 H new ATOM 768 N GLY A 51 7.761 -13.865 -2.926 1.00 0.00 N ATOM 769 CA GLY A 51 6.628 -14.770 -2.869 1.00 0.00 C ATOM 770 C GLY A 51 5.683 -14.446 -1.728 1.00 0.00 C ATOM 771 O GLY A 51 5.180 -15.345 -1.055 1.00 0.00 O ATOM 0 H GLY A 51 7.871 -13.370 -3.811 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.083 -14.725 -3.812 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.989 -15.793 -2.758 1.00 0.00 H new ATOM 775 N LEU A 52 5.446 -13.157 -1.510 1.00 0.00 N ATOM 776 CA LEU A 52 4.559 -12.715 -0.440 1.00 0.00 C ATOM 777 C LEU A 52 3.116 -13.100 -0.734 1.00 0.00 C ATOM 778 O LEU A 52 2.456 -13.745 0.081 1.00 0.00 O ATOM 779 CB LEU A 52 4.666 -11.200 -0.250 1.00 0.00 C ATOM 780 CG LEU A 52 6.062 -10.691 0.110 1.00 0.00 C ATOM 781 CD1 LEU A 52 6.054 -9.178 0.265 1.00 0.00 C ATOM 782 CD2 LEU A 52 6.559 -11.355 1.384 1.00 0.00 C ATOM 0 H LEU A 52 5.855 -12.401 -2.059 1.00 0.00 H new ATOM 0 HA LEU A 52 4.868 -13.212 0.480 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.343 -10.710 -1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.972 -10.897 0.534 1.00 0.00 H new ATOM 0 HG LEU A 52 6.743 -10.950 -0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.056 -8.833 0.521 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.740 -8.718 -0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.360 -8.897 1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.554 -10.981 1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.877 -11.127 2.203 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.603 -12.434 1.239 1.00 0.00 H new ATOM 794 N GLY A 53 2.628 -12.698 -1.902 1.00 0.00 N ATOM 795 CA GLY A 53 1.263 -13.009 -2.277 1.00 0.00 C ATOM 796 C GLY A 53 0.266 -12.560 -1.227 1.00 0.00 C ATOM 797 O GLY A 53 -0.691 -13.271 -0.924 1.00 0.00 O ATOM 0 H GLY A 53 3.153 -12.163 -2.594 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.030 -12.528 -3.227 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.166 -14.084 -2.432 1.00 0.00 H new ATOM 801 N LYS A 54 0.499 -11.377 -0.666 1.00 0.00 N ATOM 802 CA LYS A 54 -0.376 -10.832 0.365 1.00 0.00 C ATOM 803 C LYS A 54 0.107 -9.454 0.794 1.00 0.00 C ATOM 804 O LYS A 54 1.278 -9.284 1.128 1.00 0.00 O ATOM 805 CB LYS A 54 -0.387 -11.755 1.579 1.00 0.00 C ATOM 806 CG LYS A 54 -1.486 -11.439 2.578 1.00 0.00 C ATOM 807 CD LYS A 54 -2.863 -11.699 1.988 1.00 0.00 C ATOM 808 CE LYS A 54 -3.031 -13.157 1.591 1.00 0.00 C ATOM 809 NZ LYS A 54 -2.840 -14.074 2.749 1.00 0.00 N ATOM 0 H LYS A 54 1.288 -10.777 -0.909 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.383 -10.751 -0.045 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.502 -12.785 1.240 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.578 -11.691 2.082 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.352 -12.046 3.473 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.411 -10.396 2.886 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.629 -11.428 2.715 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.012 -11.063 1.115 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.025 -13.306 1.170 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.313 -13.405 0.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.158 -15.030 2.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.833 -14.102 3.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.395 -13.731 3.559 1.00 0.00 H new ATOM 823 N LEU A 55 -0.790 -8.474 0.795 1.00 0.00 N ATOM 824 CA LEU A 55 -0.414 -7.120 1.194 1.00 0.00 C ATOM 825 C LEU A 55 -1.512 -6.445 2.010 1.00 0.00 C ATOM 826 O LEU A 55 -2.687 -6.466 1.644 1.00 0.00 O ATOM 827 CB LEU A 55 -0.088 -6.261 -0.034 1.00 0.00 C ATOM 828 CG LEU A 55 1.075 -6.757 -0.903 1.00 0.00 C ATOM 829 CD1 LEU A 55 2.300 -7.056 -0.049 1.00 0.00 C ATOM 830 CD2 LEU A 55 0.662 -7.985 -1.708 1.00 0.00 C ATOM 0 H LEU A 55 -1.768 -8.587 0.529 1.00 0.00 H new ATOM 0 HA LEU A 55 0.474 -7.208 1.820 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.980 -6.196 -0.656 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.140 -5.250 0.303 1.00 0.00 H new ATOM 0 HG LEU A 55 1.337 -5.964 -1.604 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.112 -7.406 -0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.612 -6.150 0.470 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.055 -7.827 0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.502 -8.320 -2.317 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.366 -8.783 -1.028 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.177 -7.730 -2.355 1.00 0.00 H new ATOM 842 N VAL A 56 -1.109 -5.831 3.119 1.00 0.00 N ATOM 843 CA VAL A 56 -2.041 -5.131 3.989 1.00 0.00 C ATOM 844 C VAL A 56 -1.637 -3.666 4.130 1.00 0.00 C ATOM 845 O VAL A 56 -0.551 -3.355 4.621 1.00 0.00 O ATOM 846 CB VAL A 56 -2.105 -5.785 5.385 1.00 0.00 C ATOM 847 CG1 VAL A 56 -0.761 -5.682 6.093 1.00 0.00 C ATOM 848 CG2 VAL A 56 -3.208 -5.156 6.219 1.00 0.00 C ATOM 0 H VAL A 56 -0.139 -5.806 3.435 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.029 -5.194 3.533 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.336 -6.842 5.257 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.830 -6.150 7.075 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.001 -6.190 5.502 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.490 -4.633 6.209 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.238 -5.630 7.200 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.012 -4.090 6.337 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.167 -5.296 5.719 1.00 0.00 H new ATOM 858 N VAL A 57 -2.513 -2.769 3.685 1.00 0.00 N ATOM 859 CA VAL A 57 -2.241 -1.338 3.751 1.00 0.00 C ATOM 860 C VAL A 57 -2.535 -0.776 5.137 1.00 0.00 C ATOM 861 O VAL A 57 -3.467 -1.210 5.810 1.00 0.00 O ATOM 862 CB VAL A 57 -3.067 -0.556 2.712 1.00 0.00 C ATOM 863 CG1 VAL A 57 -2.651 0.907 2.686 1.00 0.00 C ATOM 864 CG2 VAL A 57 -2.925 -1.183 1.334 1.00 0.00 C ATOM 0 H VAL A 57 -3.416 -3.008 3.275 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.180 -1.216 3.531 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.117 -0.605 3.001 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.246 1.441 1.946 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.813 1.349 3.669 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.595 0.981 2.424 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.516 -0.617 0.614 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.877 -1.170 1.034 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.280 -2.213 1.365 1.00 0.00 H new ATOM 1094 N LYS A 73 0.528 7.010 -4.041 1.00 0.00 N ATOM 1095 CA LYS A 73 1.373 6.079 -4.779 1.00 0.00 C ATOM 1096 C LYS A 73 1.183 4.649 -4.274 1.00 0.00 C ATOM 1097 O LYS A 73 1.349 3.688 -5.026 1.00 0.00 O ATOM 1098 CB LYS A 73 2.843 6.491 -4.662 1.00 0.00 C ATOM 1099 CG LYS A 73 3.124 7.883 -5.206 1.00 0.00 C ATOM 1100 CD LYS A 73 4.604 8.226 -5.135 1.00 0.00 C ATOM 1101 CE LYS A 73 5.108 8.228 -3.701 1.00 0.00 C ATOM 1102 NZ LYS A 73 4.392 9.230 -2.862 1.00 0.00 N ATOM 0 HA LYS A 73 1.079 6.111 -5.828 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.142 6.451 -3.615 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.459 5.768 -5.197 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.785 7.945 -6.240 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.552 8.618 -4.639 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.174 7.505 -5.721 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.773 9.205 -5.582 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.980 7.235 -3.270 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.176 8.444 -3.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.902 9.359 -1.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.347 10.138 -3.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.427 8.894 -2.667 1.00 0.00 H new ATOM 1116 N VAL A 74 0.840 4.518 -2.996 1.00 0.00 N ATOM 1117 CA VAL A 74 0.633 3.207 -2.386 1.00 0.00 C ATOM 1118 C VAL A 74 -0.658 2.541 -2.872 1.00 0.00 C ATOM 1119 O VAL A 74 -0.669 1.349 -3.182 1.00 0.00 O ATOM 1120 CB VAL A 74 0.594 3.312 -0.848 1.00 0.00 C ATOM 1121 CG1 VAL A 74 0.455 1.934 -0.215 1.00 0.00 C ATOM 1122 CG2 VAL A 74 1.834 4.022 -0.329 1.00 0.00 C ATOM 0 H VAL A 74 0.699 5.304 -2.361 1.00 0.00 H new ATOM 0 HA VAL A 74 1.478 2.590 -2.691 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.279 3.901 -0.568 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.430 2.033 0.870 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.468 1.467 -0.558 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.304 1.314 -0.503 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.788 4.086 0.758 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.723 3.463 -0.622 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.881 5.026 -0.750 1.00 0.00 H new ATOM 1132 N LEU A 75 -1.748 3.305 -2.918 1.00 0.00 N ATOM 1133 CA LEU A 75 -3.037 2.765 -3.348 1.00 0.00 C ATOM 1134 C LEU A 75 -2.954 2.149 -4.747 1.00 0.00 C ATOM 1135 O LEU A 75 -3.390 1.016 -4.953 1.00 0.00 O ATOM 1136 CB LEU A 75 -4.119 3.849 -3.307 1.00 0.00 C ATOM 1137 CG LEU A 75 -5.521 3.376 -3.699 1.00 0.00 C ATOM 1138 CD1 LEU A 75 -5.996 2.280 -2.757 1.00 0.00 C ATOM 1139 CD2 LEU A 75 -6.495 4.543 -3.694 1.00 0.00 C ATOM 0 H LEU A 75 -1.765 4.293 -2.665 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.307 1.972 -2.651 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.160 4.263 -2.300 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.826 4.660 -3.973 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.478 2.967 -4.708 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.994 1.956 -3.050 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.310 1.434 -2.808 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.024 2.664 -1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.487 4.190 -3.975 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.534 4.980 -2.696 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.163 5.297 -4.407 1.00 0.00 H new ATOM 1151 N PRO A 76 -2.390 2.877 -5.731 1.00 0.00 N ATOM 1152 CA PRO A 76 -2.257 2.377 -7.103 1.00 0.00 C ATOM 1153 C PRO A 76 -1.771 0.930 -7.150 1.00 0.00 C ATOM 1154 O PRO A 76 -2.224 0.139 -7.978 1.00 0.00 O ATOM 1155 CB PRO A 76 -1.210 3.307 -7.711 1.00 0.00 C ATOM 1156 CG PRO A 76 -1.373 4.592 -6.977 1.00 0.00 C ATOM 1157 CD PRO A 76 -1.840 4.239 -5.587 1.00 0.00 C ATOM 0 HA PRO A 76 -3.210 2.374 -7.632 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -0.204 2.905 -7.587 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -1.371 3.439 -8.781 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -0.431 5.140 -6.942 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -2.097 5.235 -7.477 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -1.018 4.264 -4.871 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -2.595 4.939 -5.230 1.00 0.00 H new ATOM 1165 N LEU A 77 -0.852 0.592 -6.251 1.00 0.00 N ATOM 1166 CA LEU A 77 -0.312 -0.762 -6.185 1.00 0.00 C ATOM 1167 C LEU A 77 -1.360 -1.734 -5.663 1.00 0.00 C ATOM 1168 O LEU A 77 -1.434 -2.880 -6.109 1.00 0.00 O ATOM 1169 CB LEU A 77 0.947 -0.803 -5.309 1.00 0.00 C ATOM 1170 CG LEU A 77 1.541 -2.196 -5.059 1.00 0.00 C ATOM 1171 CD1 LEU A 77 0.708 -2.971 -4.049 1.00 0.00 C ATOM 1172 CD2 LEU A 77 1.661 -2.977 -6.361 1.00 0.00 C ATOM 0 H LEU A 77 -0.466 1.235 -5.560 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.035 -1.067 -7.194 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.711 -0.181 -5.775 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.711 -0.351 -4.346 1.00 0.00 H new ATOM 0 HG LEU A 77 2.541 -2.062 -4.646 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.151 -3.954 -3.890 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.683 -2.427 -3.105 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.307 -3.087 -4.428 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.084 -3.961 -6.158 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.674 -3.092 -6.808 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.311 -2.438 -7.050 1.00 0.00 H new ATOM 1184 N VAL A 78 -2.176 -1.271 -4.724 1.00 0.00 N ATOM 1185 CA VAL A 78 -3.227 -2.104 -4.151 1.00 0.00 C ATOM 1186 C VAL A 78 -4.119 -2.675 -5.251 1.00 0.00 C ATOM 1187 O VAL A 78 -4.570 -3.816 -5.171 1.00 0.00 O ATOM 1188 CB VAL A 78 -4.095 -1.314 -3.151 1.00 0.00 C ATOM 1189 CG1 VAL A 78 -5.164 -2.209 -2.541 1.00 0.00 C ATOM 1190 CG2 VAL A 78 -3.227 -0.697 -2.064 1.00 0.00 C ATOM 0 H VAL A 78 -2.131 -0.326 -4.344 1.00 0.00 H new ATOM 0 HA VAL A 78 -2.737 -2.919 -3.617 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.594 -0.509 -3.691 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.765 -1.631 -1.839 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.805 -2.600 -3.331 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.689 -3.038 -2.016 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.856 -0.143 -1.367 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.699 -1.486 -1.528 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.503 -0.019 -2.517 1.00 0.00 H new ATOM 1200 N GLU A 79 -4.363 -1.869 -6.281 1.00 0.00 N ATOM 1201 CA GLU A 79 -5.195 -2.287 -7.404 1.00 0.00 C ATOM 1202 C GLU A 79 -4.509 -3.386 -8.208 1.00 0.00 C ATOM 1203 O GLU A 79 -5.152 -4.337 -8.655 1.00 0.00 O ATOM 1204 CB GLU A 79 -5.504 -1.094 -8.310 1.00 0.00 C ATOM 1205 CG GLU A 79 -6.251 0.027 -7.607 1.00 0.00 C ATOM 1206 CD GLU A 79 -6.559 1.190 -8.530 1.00 0.00 C ATOM 1207 OE1 GLU A 79 -5.604 1.789 -9.069 1.00 0.00 O ATOM 1208 OE2 GLU A 79 -7.754 1.500 -8.719 1.00 0.00 O ATOM 0 H GLU A 79 -3.995 -0.921 -6.360 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.129 -2.682 -7.005 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.569 -0.701 -8.711 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.096 -1.437 -9.159 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -7.182 -0.363 -7.197 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.657 0.383 -6.766 1.00 0.00 H new ATOM 1215 N ALA A 80 -3.199 -3.249 -8.389 1.00 0.00 N ATOM 1216 CA ALA A 80 -2.421 -4.229 -9.139 1.00 0.00 C ATOM 1217 C ALA A 80 -2.552 -5.617 -8.529 1.00 0.00 C ATOM 1218 O ALA A 80 -2.719 -6.609 -9.240 1.00 0.00 O ATOM 1219 CB ALA A 80 -0.957 -3.817 -9.177 1.00 0.00 C ATOM 0 H ALA A 80 -2.653 -2.467 -8.026 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.813 -4.264 -10.156 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.386 -4.556 -9.739 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.865 -2.844 -9.659 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.570 -3.756 -8.160 1.00 0.00 H new ATOM 1225 N LEU A 81 -2.467 -5.678 -7.207 1.00 0.00 N ATOM 1226 CA LEU A 81 -2.567 -6.939 -6.486 1.00 0.00 C ATOM 1227 C LEU A 81 -3.901 -7.624 -6.764 1.00 0.00 C ATOM 1228 O LEU A 81 -3.953 -8.828 -7.015 1.00 0.00 O ATOM 1229 CB LEU A 81 -2.405 -6.690 -4.988 1.00 0.00 C ATOM 1230 CG LEU A 81 -1.209 -5.815 -4.606 1.00 0.00 C ATOM 1231 CD1 LEU A 81 -1.061 -5.739 -3.095 1.00 0.00 C ATOM 1232 CD2 LEU A 81 0.068 -6.342 -5.247 1.00 0.00 C ATOM 0 H LEU A 81 -2.328 -4.863 -6.609 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.771 -7.599 -6.831 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.314 -6.221 -4.612 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.309 -7.651 -4.483 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.388 -4.808 -4.982 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.205 -5.112 -2.844 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.964 -5.309 -2.662 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.907 -6.741 -2.694 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.907 -5.706 -4.963 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.253 -7.361 -4.906 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.040 -6.337 -6.332 1.00 0.00 H new ATOM 1244 N ARG A 82 -4.980 -6.849 -6.715 1.00 0.00 N ATOM 1245 CA ARG A 82 -6.316 -7.378 -6.962 1.00 0.00 C ATOM 1246 C ARG A 82 -6.400 -8.012 -8.347 1.00 0.00 C ATOM 1247 O ARG A 82 -6.958 -9.096 -8.513 1.00 0.00 O ATOM 1248 CB ARG A 82 -7.360 -6.269 -6.832 1.00 0.00 C ATOM 1249 CG ARG A 82 -7.401 -5.629 -5.454 1.00 0.00 C ATOM 1250 CD ARG A 82 -7.742 -6.649 -4.377 1.00 0.00 C ATOM 1251 NE ARG A 82 -9.051 -7.260 -4.593 1.00 0.00 N ATOM 1252 CZ ARG A 82 -10.204 -6.597 -4.517 1.00 0.00 C ATOM 1253 NH1 ARG A 82 -10.219 -5.313 -4.180 1.00 0.00 N ATOM 1254 NH2 ARG A 82 -11.345 -7.224 -4.763 1.00 0.00 N ATOM 0 H ARG A 82 -4.955 -5.851 -6.506 1.00 0.00 H new ATOM 0 HA ARG A 82 -6.520 -8.146 -6.216 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -7.154 -5.499 -7.575 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -8.343 -6.679 -7.062 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -6.435 -5.174 -5.234 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -8.140 -4.828 -5.445 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -6.978 -7.426 -4.360 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -7.725 -6.164 -3.401 1.00 0.00 H new ATOM 0 HE ARG A 82 -9.084 -8.255 -4.816 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -9.344 -4.829 -3.978 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -11.105 -4.811 -4.124 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -11.340 -8.214 -5.010 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -12.228 -6.717 -4.705 1.00 0.00 H new ATOM 1268 N ALA A 83 -5.839 -7.327 -9.337 1.00 0.00 N ATOM 1269 CA ALA A 83 -5.847 -7.817 -10.708 1.00 0.00 C ATOM 1270 C ALA A 83 -5.149 -9.169 -10.812 1.00 0.00 C ATOM 1271 O ALA A 83 -5.600 -10.056 -11.537 1.00 0.00 O ATOM 1272 CB ALA A 83 -5.187 -6.808 -11.635 1.00 0.00 C ATOM 0 H ALA A 83 -5.372 -6.429 -9.214 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.885 -7.948 -11.013 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.201 -7.189 -12.656 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.731 -5.864 -11.592 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.155 -6.647 -11.322 1.00 0.00 H new ATOM 1278 N ARG A 84 -4.045 -9.319 -10.086 1.00 0.00 N ATOM 1279 CA ARG A 84 -3.282 -10.564 -10.100 1.00 0.00 C ATOM 1280 C ARG A 84 -3.871 -11.600 -9.140 1.00 0.00 C ATOM 1281 O ARG A 84 -3.217 -12.588 -8.808 1.00 0.00 O ATOM 1282 CB ARG A 84 -1.824 -10.289 -9.733 1.00 0.00 C ATOM 1283 CG ARG A 84 -1.141 -9.290 -10.651 1.00 0.00 C ATOM 1284 CD ARG A 84 0.297 -9.037 -10.228 1.00 0.00 C ATOM 1285 NE ARG A 84 0.961 -8.062 -11.092 1.00 0.00 N ATOM 1286 CZ ARG A 84 1.237 -8.273 -12.378 1.00 0.00 C ATOM 1287 NH1 ARG A 84 0.953 -9.439 -12.944 1.00 0.00 N ATOM 1288 NH2 ARG A 84 1.811 -7.317 -13.096 1.00 0.00 N ATOM 0 H ARG A 84 -3.659 -8.595 -9.481 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.336 -10.973 -11.109 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.780 -9.917 -8.709 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.270 -11.227 -9.755 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.160 -9.663 -11.675 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.694 -8.351 -10.644 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.314 -8.679 -9.199 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.851 -9.976 -10.249 1.00 0.00 H new ATOM 0 HE ARG A 84 1.229 -7.166 -10.685 1.00 0.00 H new ATOM 0 HH11 ARG A 84 0.520 -10.181 -12.394 1.00 0.00 H new ATOM 0 HH12 ARG A 84 1.167 -9.593 -13.929 1.00 0.00 H new ATOM 0 HH21 ARG A 84 2.040 -6.422 -12.663 1.00 0.00 H new ATOM 0 HH22 ARG A 84 2.023 -7.477 -14.081 1.00 0.00 H new ATOM 1302 N GLY A 85 -5.108 -11.377 -8.698 1.00 0.00 N ATOM 1303 CA GLY A 85 -5.748 -12.306 -7.784 1.00 0.00 C ATOM 1304 C GLY A 85 -5.033 -12.385 -6.454 1.00 0.00 C ATOM 1305 O GLY A 85 -4.910 -13.461 -5.869 1.00 0.00 O ATOM 0 H GLY A 85 -5.676 -10.570 -8.957 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.781 -11.999 -7.621 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.778 -13.297 -8.238 1.00 0.00 H new ATOM 1309 N VAL A 86 -4.564 -11.241 -5.976 1.00 0.00 N ATOM 1310 CA VAL A 86 -3.855 -11.177 -4.703 1.00 0.00 C ATOM 1311 C VAL A 86 -4.708 -10.494 -3.634 1.00 0.00 C ATOM 1312 O VAL A 86 -5.324 -9.459 -3.885 1.00 0.00 O ATOM 1313 CB VAL A 86 -2.517 -10.427 -4.842 1.00 0.00 C ATOM 1314 CG1 VAL A 86 -1.775 -10.388 -3.512 1.00 0.00 C ATOM 1315 CG2 VAL A 86 -1.656 -11.069 -5.920 1.00 0.00 C ATOM 0 H VAL A 86 -4.661 -10.343 -6.450 1.00 0.00 H new ATOM 0 HA VAL A 86 -3.653 -12.204 -4.399 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.731 -9.400 -5.138 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.833 -9.853 -3.636 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.387 -9.877 -2.769 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.573 -11.406 -3.178 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.714 -10.526 -6.005 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.454 -12.107 -5.654 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.182 -11.034 -6.874 1.00 0.00 H new ATOM 1325 N GLU A 87 -4.735 -11.083 -2.442 1.00 0.00 N ATOM 1326 CA GLU A 87 -5.510 -10.533 -1.335 1.00 0.00 C ATOM 1327 C GLU A 87 -4.896 -9.234 -0.825 1.00 0.00 C ATOM 1328 O GLU A 87 -3.677 -9.112 -0.716 1.00 0.00 O ATOM 1329 CB GLU A 87 -5.598 -11.543 -0.191 1.00 0.00 C ATOM 1330 CG GLU A 87 -6.237 -12.864 -0.593 1.00 0.00 C ATOM 1331 CD GLU A 87 -6.445 -13.797 0.584 1.00 0.00 C ATOM 1332 OE1 GLU A 87 -6.147 -13.390 1.727 1.00 0.00 O ATOM 1333 OE2 GLU A 87 -6.913 -14.934 0.365 1.00 0.00 O ATOM 0 H GLU A 87 -4.230 -11.940 -2.218 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.513 -10.321 -1.706 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.595 -11.735 0.191 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -6.172 -11.105 0.626 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.197 -12.668 -1.070 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.608 -13.356 -1.334 1.00 0.00 H new ATOM 1340 N VAL A 88 -5.753 -8.266 -0.514 1.00 0.00 N ATOM 1341 CA VAL A 88 -5.298 -6.974 -0.013 1.00 0.00 C ATOM 1342 C VAL A 88 -6.390 -6.291 0.802 1.00 0.00 C ATOM 1343 O VAL A 88 -7.566 -6.339 0.441 1.00 0.00 O ATOM 1344 CB VAL A 88 -4.866 -6.042 -1.163 1.00 0.00 C ATOM 1345 CG1 VAL A 88 -4.306 -4.735 -0.620 1.00 0.00 C ATOM 1346 CG2 VAL A 88 -3.850 -6.730 -2.057 1.00 0.00 C ATOM 0 H VAL A 88 -6.766 -8.352 -0.600 1.00 0.00 H new ATOM 0 HA VAL A 88 -4.436 -7.166 0.626 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.747 -5.810 -1.761 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.008 -4.094 -1.450 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.069 -4.230 -0.028 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.439 -4.943 0.007 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.558 -6.056 -2.862 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.971 -6.997 -1.470 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.291 -7.632 -2.481 1.00 0.00 H new ATOM 1356 N GLU A 89 -5.998 -5.661 1.904 1.00 0.00 N ATOM 1357 CA GLU A 89 -6.957 -4.976 2.766 1.00 0.00 C ATOM 1358 C GLU A 89 -6.268 -3.970 3.686 1.00 0.00 C ATOM 1359 O GLU A 89 -5.280 -4.288 4.347 1.00 0.00 O ATOM 1360 CB GLU A 89 -7.738 -5.992 3.604 1.00 0.00 C ATOM 1361 CG GLU A 89 -6.873 -6.795 4.563 1.00 0.00 C ATOM 1362 CD GLU A 89 -5.850 -7.659 3.850 1.00 0.00 C ATOM 1363 OE1 GLU A 89 -6.261 -8.528 3.051 1.00 0.00 O ATOM 1364 OE2 GLU A 89 -4.641 -7.464 4.088 1.00 0.00 O ATOM 0 H GLU A 89 -5.030 -5.610 2.221 1.00 0.00 H new ATOM 0 HA GLU A 89 -7.646 -4.430 2.122 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.503 -5.466 4.174 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.255 -6.679 2.935 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.357 -6.112 5.238 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.512 -7.429 5.177 1.00 0.00 H new ATOM 1371 N LEU A 90 -6.804 -2.752 3.716 1.00 0.00 N ATOM 1372 CA LEU A 90 -6.254 -1.686 4.548 1.00 0.00 C ATOM 1373 C LEU A 90 -6.761 -1.781 5.987 1.00 0.00 C ATOM 1374 O LEU A 90 -7.894 -2.195 6.233 1.00 0.00 O ATOM 1375 CB LEU A 90 -6.591 -0.315 3.947 1.00 0.00 C ATOM 1376 CG LEU A 90 -8.076 -0.057 3.668 1.00 0.00 C ATOM 1377 CD1 LEU A 90 -8.869 0.016 4.964 1.00 0.00 C ATOM 1378 CD2 LEU A 90 -8.247 1.224 2.865 1.00 0.00 C ATOM 0 H LEU A 90 -7.622 -2.479 3.171 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.171 -1.804 4.572 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.228 0.457 4.625 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.040 -0.203 3.013 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.463 -0.891 3.083 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -9.919 0.200 4.738 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.773 -0.927 5.503 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.483 0.827 5.581 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.306 1.395 2.674 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -7.840 2.064 3.428 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.718 1.132 1.917 1.00 0.00 H new