USER MOD reduce.3.24.130724 H: found=0, std=0, add=297, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 297 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 SER OG : rot -38:sc= -0.653! USER MOD Set 1.2: A 61 GLN : amide:sc= -0.713 X(o=-1.4,f=-1.3) USER MOD Single : A 47 THR OG1 : rot -82:sc= 0.441 USER MOD Single : A 55 ASN : amide:sc= -0.767 X(o=-0.77,f=-0.71) USER MOD Single : A 57 SER OG : rot 38:sc= 1.08 USER MOD Single : A 65 SER OG : rot 120:sc= 0.934 USER MOD Single : A 72 HIS : no HE2:sc= -1.08 K(o=-1.1,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 39 N ILE A 39 36.169 -6.936 -6.842 1.00 0.00 N ATOM 40 CA ILE A 39 35.469 -6.666 -5.528 1.00 0.00 C ATOM 41 C ILE A 39 35.543 -5.178 -5.211 1.00 0.00 C ATOM 42 O ILE A 39 34.545 -4.556 -4.904 1.00 0.00 O ATOM 43 CB ILE A 39 36.103 -7.486 -4.381 1.00 0.00 C ATOM 44 CG1 ILE A 39 36.439 -8.916 -4.898 1.00 0.00 C ATOM 45 CG2 ILE A 39 35.105 -7.539 -3.206 1.00 0.00 C ATOM 46 CD1 ILE A 39 36.397 -9.976 -3.781 1.00 0.00 C ATOM 0 HA ILE A 39 34.426 -6.969 -5.620 1.00 0.00 H new ATOM 0 HB ILE A 39 37.028 -7.022 -4.038 1.00 0.00 H new ATOM 0 HG12 ILE A 39 35.732 -9.191 -5.681 1.00 0.00 H new ATOM 0 HG13 ILE A 39 37.430 -8.911 -5.351 1.00 0.00 H new ATOM 0 HG21 ILE A 39 35.537 -8.115 -2.387 1.00 0.00 H new ATOM 0 HG22 ILE A 39 34.891 -6.526 -2.864 1.00 0.00 H new ATOM 0 HG23 ILE A 39 34.181 -8.014 -3.535 1.00 0.00 H new ATOM 0 HD11 ILE A 39 36.639 -10.954 -4.198 1.00 0.00 H new ATOM 0 HD12 ILE A 39 37.123 -9.721 -3.010 1.00 0.00 H new ATOM 0 HD13 ILE A 39 35.399 -10.005 -3.344 1.00 0.00 H new ATOM 58 N ASP A 40 36.715 -4.599 -5.337 1.00 0.00 N ATOM 59 CA ASP A 40 36.888 -3.114 -5.096 1.00 0.00 C ATOM 60 C ASP A 40 35.970 -2.286 -6.024 1.00 0.00 C ATOM 61 O ASP A 40 35.668 -1.139 -5.720 1.00 0.00 O ATOM 62 CB ASP A 40 38.358 -2.694 -5.300 1.00 0.00 C ATOM 63 CG ASP A 40 38.807 -2.969 -6.738 1.00 0.00 C ATOM 64 OD1 ASP A 40 39.108 -4.116 -7.031 1.00 0.00 O ATOM 65 OD2 ASP A 40 38.850 -2.031 -7.520 1.00 0.00 O ATOM 0 H ASP A 40 37.571 -5.089 -5.598 1.00 0.00 H new ATOM 0 HA ASP A 40 36.604 -2.914 -4.063 1.00 0.00 H new ATOM 0 HB2 ASP A 40 38.473 -1.634 -5.075 1.00 0.00 H new ATOM 0 HB3 ASP A 40 38.997 -3.238 -4.604 1.00 0.00 H new ATOM 70 N ARG A 41 35.512 -2.872 -7.129 1.00 0.00 N ATOM 71 CA ARG A 41 34.593 -2.182 -8.080 1.00 0.00 C ATOM 72 C ARG A 41 33.265 -1.858 -7.365 1.00 0.00 C ATOM 73 O ARG A 41 32.675 -0.828 -7.630 1.00 0.00 O ATOM 74 CB ARG A 41 34.288 -3.101 -9.281 1.00 0.00 C ATOM 75 CG ARG A 41 35.561 -3.495 -10.064 1.00 0.00 C ATOM 76 CD ARG A 41 36.341 -2.249 -10.518 1.00 0.00 C ATOM 77 NE ARG A 41 37.552 -2.657 -11.316 1.00 0.00 N ATOM 78 CZ ARG A 41 38.276 -3.686 -10.951 1.00 0.00 C ATOM 79 NH1 ARG A 41 39.017 -3.613 -9.884 1.00 0.00 N ATOM 80 NH2 ARG A 41 38.224 -4.794 -11.630 1.00 0.00 N ATOM 0 H ARG A 41 35.753 -3.825 -7.403 1.00 0.00 H new ATOM 0 HA ARG A 41 35.071 -1.266 -8.428 1.00 0.00 H new ATOM 0 HB2 ARG A 41 33.790 -4.003 -8.926 1.00 0.00 H new ATOM 0 HB3 ARG A 41 33.594 -2.597 -9.953 1.00 0.00 H new ATOM 0 HG2 ARG A 41 36.199 -4.118 -9.437 1.00 0.00 H new ATOM 0 HG3 ARG A 41 35.286 -4.093 -10.933 1.00 0.00 H new ATOM 0 HD2 ARG A 41 35.698 -1.608 -11.121 1.00 0.00 H new ATOM 0 HD3 ARG A 41 36.648 -1.666 -9.649 1.00 0.00 H new ATOM 0 HE ARG A 41 37.811 -2.127 -12.148 1.00 0.00 H new ATOM 0 HH11 ARG A 41 39.034 -2.755 -9.332 1.00 0.00 H new ATOM 0 HH12 ARG A 41 39.581 -4.414 -9.599 1.00 0.00 H new ATOM 0 HH21 ARG A 41 37.619 -4.863 -12.448 1.00 0.00 H new ATOM 0 HH22 ARG A 41 38.788 -5.594 -11.344 1.00 0.00 H new ATOM 94 N LEU A 42 32.795 -2.722 -6.460 1.00 0.00 N ATOM 95 CA LEU A 42 31.523 -2.462 -5.727 1.00 0.00 C ATOM 96 C LEU A 42 31.812 -1.680 -4.450 1.00 0.00 C ATOM 97 O LEU A 42 31.092 -0.765 -4.082 1.00 0.00 O ATOM 98 CB LEU A 42 30.894 -3.822 -5.427 1.00 0.00 C ATOM 99 CG LEU A 42 31.602 -4.671 -4.345 1.00 0.00 C ATOM 100 CD1 LEU A 42 30.684 -4.836 -3.160 1.00 0.00 C ATOM 101 CD2 LEU A 42 31.943 -6.049 -4.926 1.00 0.00 C ATOM 0 H LEU A 42 33.257 -3.597 -6.211 1.00 0.00 H new ATOM 0 HA LEU A 42 30.834 -1.860 -6.319 1.00 0.00 H new ATOM 0 HB2 LEU A 42 29.861 -3.662 -5.117 1.00 0.00 H new ATOM 0 HB3 LEU A 42 30.864 -4.399 -6.352 1.00 0.00 H new ATOM 0 HG LEU A 42 32.518 -4.173 -4.028 1.00 0.00 H new ATOM 0 HD11 LEU A 42 31.180 -5.434 -2.396 1.00 0.00 H new ATOM 0 HD12 LEU A 42 30.438 -3.856 -2.751 1.00 0.00 H new ATOM 0 HD13 LEU A 42 29.769 -5.337 -3.476 1.00 0.00 H new ATOM 0 HD21 LEU A 42 32.442 -6.651 -4.167 1.00 0.00 H new ATOM 0 HD22 LEU A 42 31.026 -6.548 -5.240 1.00 0.00 H new ATOM 0 HD23 LEU A 42 32.603 -5.928 -5.785 1.00 0.00 H new ATOM 113 N ILE A 43 32.881 -2.058 -3.807 1.00 0.00 N ATOM 114 CA ILE A 43 33.355 -1.415 -2.539 1.00 0.00 C ATOM 115 C ILE A 43 33.531 0.096 -2.750 1.00 0.00 C ATOM 116 O ILE A 43 33.059 0.883 -1.945 1.00 0.00 O ATOM 117 CB ILE A 43 34.706 -2.038 -2.121 1.00 0.00 C ATOM 118 CG1 ILE A 43 34.594 -3.565 -1.995 1.00 0.00 C ATOM 119 CG2 ILE A 43 35.136 -1.487 -0.771 1.00 0.00 C ATOM 120 CD1 ILE A 43 35.994 -4.162 -1.852 1.00 0.00 C ATOM 0 H ILE A 43 33.477 -2.824 -4.122 1.00 0.00 H new ATOM 0 HA ILE A 43 32.616 -1.582 -1.755 1.00 0.00 H new ATOM 0 HB ILE A 43 35.436 -1.787 -2.890 1.00 0.00 H new ATOM 0 HG12 ILE A 43 33.984 -3.827 -1.130 1.00 0.00 H new ATOM 0 HG13 ILE A 43 34.097 -3.979 -2.873 1.00 0.00 H new ATOM 0 HG21 ILE A 43 36.089 -1.931 -0.484 1.00 0.00 H new ATOM 0 HG22 ILE A 43 35.246 -0.405 -0.838 1.00 0.00 H new ATOM 0 HG23 ILE A 43 34.382 -1.730 -0.022 1.00 0.00 H new ATOM 0 HD11 ILE A 43 35.920 -5.246 -1.762 1.00 0.00 H new ATOM 0 HD12 ILE A 43 36.588 -3.910 -2.730 1.00 0.00 H new ATOM 0 HD13 ILE A 43 36.473 -3.756 -0.961 1.00 0.00 H new ATOM 132 N ASP A 44 34.181 0.502 -3.831 1.00 0.00 N ATOM 133 CA ASP A 44 34.353 1.965 -4.092 1.00 0.00 C ATOM 134 C ASP A 44 33.163 2.531 -4.926 1.00 0.00 C ATOM 135 O ASP A 44 33.183 3.683 -5.327 1.00 0.00 O ATOM 136 CB ASP A 44 35.680 2.184 -4.822 1.00 0.00 C ATOM 137 CG ASP A 44 36.654 2.951 -3.921 1.00 0.00 C ATOM 138 OD1 ASP A 44 37.089 2.378 -2.933 1.00 0.00 O ATOM 139 OD2 ASP A 44 36.950 4.091 -4.235 1.00 0.00 O ATOM 0 H ASP A 44 34.592 -0.116 -4.531 1.00 0.00 H new ATOM 0 HA ASP A 44 34.365 2.500 -3.142 1.00 0.00 H new ATOM 0 HB2 ASP A 44 36.112 1.224 -5.104 1.00 0.00 H new ATOM 0 HB3 ASP A 44 35.510 2.740 -5.744 1.00 0.00 H new ATOM 144 N ARG A 45 32.121 1.740 -5.157 1.00 0.00 N ATOM 145 CA ARG A 45 30.919 2.188 -5.894 1.00 0.00 C ATOM 146 C ARG A 45 29.867 2.544 -4.818 1.00 0.00 C ATOM 147 O ARG A 45 29.233 3.587 -4.882 1.00 0.00 O ATOM 148 CB ARG A 45 30.494 1.000 -6.790 1.00 0.00 C ATOM 149 CG ARG A 45 28.991 0.724 -6.760 1.00 0.00 C ATOM 150 CD ARG A 45 28.287 1.479 -7.904 1.00 0.00 C ATOM 151 NE ARG A 45 28.253 2.953 -7.615 1.00 0.00 N ATOM 152 CZ ARG A 45 28.147 3.814 -8.592 1.00 0.00 C ATOM 153 NH1 ARG A 45 26.967 4.167 -9.022 1.00 0.00 N ATOM 154 NH2 ARG A 45 29.224 4.319 -9.130 1.00 0.00 N ATOM 0 H ARG A 45 32.074 0.770 -4.844 1.00 0.00 H new ATOM 0 HA ARG A 45 31.067 3.059 -6.532 1.00 0.00 H new ATOM 0 HB2 ARG A 45 30.798 1.202 -7.817 1.00 0.00 H new ATOM 0 HB3 ARG A 45 31.027 0.105 -6.470 1.00 0.00 H new ATOM 0 HG2 ARG A 45 28.809 -0.346 -6.855 1.00 0.00 H new ATOM 0 HG3 ARG A 45 28.576 1.034 -5.801 1.00 0.00 H new ATOM 0 HD2 ARG A 45 28.809 1.298 -8.843 1.00 0.00 H new ATOM 0 HD3 ARG A 45 27.271 1.102 -8.026 1.00 0.00 H new ATOM 0 HE ARG A 45 28.313 3.283 -6.652 1.00 0.00 H new ATOM 0 HH11 ARG A 45 26.129 3.771 -8.596 1.00 0.00 H new ATOM 0 HH12 ARG A 45 26.882 4.839 -9.785 1.00 0.00 H new ATOM 0 HH21 ARG A 45 30.144 4.041 -8.787 1.00 0.00 H new ATOM 0 HH22 ARG A 45 29.146 4.991 -9.893 1.00 0.00 H new ATOM 168 N ILE A 46 29.706 1.665 -3.829 1.00 0.00 N ATOM 169 CA ILE A 46 28.743 1.895 -2.713 1.00 0.00 C ATOM 170 C ILE A 46 29.161 3.167 -1.912 1.00 0.00 C ATOM 171 O ILE A 46 28.325 3.801 -1.290 1.00 0.00 O ATOM 172 CB ILE A 46 28.728 0.625 -1.829 1.00 0.00 C ATOM 173 CG1 ILE A 46 27.562 -0.248 -2.285 1.00 0.00 C ATOM 174 CG2 ILE A 46 28.546 0.956 -0.349 1.00 0.00 C ATOM 175 CD1 ILE A 46 27.978 -1.057 -3.510 1.00 0.00 C ATOM 0 H ILE A 46 30.220 0.786 -3.763 1.00 0.00 H new ATOM 0 HA ILE A 46 27.735 2.073 -3.088 1.00 0.00 H new ATOM 0 HB ILE A 46 29.685 0.115 -1.937 1.00 0.00 H new ATOM 0 HG12 ILE A 46 27.259 -0.918 -1.480 1.00 0.00 H new ATOM 0 HG13 ILE A 46 26.700 0.375 -2.523 1.00 0.00 H new ATOM 0 HG21 ILE A 46 28.542 0.034 0.232 1.00 0.00 H new ATOM 0 HG22 ILE A 46 29.366 1.592 -0.015 1.00 0.00 H new ATOM 0 HG23 ILE A 46 27.600 1.479 -0.207 1.00 0.00 H new ATOM 0 HD11 ILE A 46 27.145 -1.680 -3.835 1.00 0.00 H new ATOM 0 HD12 ILE A 46 28.259 -0.379 -4.316 1.00 0.00 H new ATOM 0 HD13 ILE A 46 28.828 -1.691 -3.256 1.00 0.00 H new ATOM 187 N THR A 47 30.446 3.518 -1.921 1.00 0.00 N ATOM 188 CA THR A 47 30.960 4.729 -1.170 1.00 0.00 C ATOM 189 C THR A 47 30.102 5.973 -1.395 1.00 0.00 C ATOM 190 O THR A 47 29.966 6.764 -0.489 1.00 0.00 O ATOM 191 CB THR A 47 32.402 5.053 -1.592 1.00 0.00 C ATOM 192 OG1 THR A 47 32.877 6.190 -0.859 1.00 0.00 O ATOM 193 CG2 THR A 47 32.504 5.353 -3.099 1.00 0.00 C ATOM 0 H THR A 47 31.168 3.005 -2.427 1.00 0.00 H new ATOM 0 HA THR A 47 30.917 4.469 -0.112 1.00 0.00 H new ATOM 0 HB THR A 47 33.012 4.176 -1.374 1.00 0.00 H new ATOM 0 HG1 THR A 47 32.553 7.012 -1.283 1.00 0.00 H new ATOM 0 HG21 THR A 47 33.539 5.577 -3.356 1.00 0.00 H new ATOM 0 HG22 THR A 47 32.169 4.485 -3.666 1.00 0.00 H new ATOM 0 HG23 THR A 47 31.876 6.210 -3.343 1.00 0.00 H new ATOM 201 N GLU A 48 29.555 6.174 -2.575 1.00 0.00 N ATOM 202 CA GLU A 48 28.717 7.393 -2.822 1.00 0.00 C ATOM 203 C GLU A 48 27.249 7.071 -2.529 1.00 0.00 C ATOM 204 O GLU A 48 26.512 7.962 -2.134 1.00 0.00 O ATOM 205 CB GLU A 48 28.922 7.894 -4.260 1.00 0.00 C ATOM 206 CG GLU A 48 30.420 8.209 -4.517 1.00 0.00 C ATOM 207 CD GLU A 48 31.044 9.004 -3.346 1.00 0.00 C ATOM 208 OE1 GLU A 48 30.984 10.221 -3.388 1.00 0.00 O ATOM 209 OE2 GLU A 48 31.574 8.375 -2.430 1.00 0.00 O ATOM 0 H GLU A 48 29.653 5.548 -3.374 1.00 0.00 H new ATOM 0 HA GLU A 48 29.024 8.197 -2.153 1.00 0.00 H new ATOM 0 HB2 GLU A 48 28.576 7.140 -4.967 1.00 0.00 H new ATOM 0 HB3 GLU A 48 28.322 8.788 -4.429 1.00 0.00 H new ATOM 0 HG2 GLU A 48 30.969 7.278 -4.659 1.00 0.00 H new ATOM 0 HG3 GLU A 48 30.519 8.781 -5.439 1.00 0.00 H new ATOM 216 N ARG A 49 26.816 5.806 -2.635 1.00 0.00 N ATOM 217 CA ARG A 49 25.417 5.455 -2.265 1.00 0.00 C ATOM 218 C ARG A 49 25.255 5.702 -0.752 1.00 0.00 C ATOM 219 O ARG A 49 24.230 6.204 -0.317 1.00 0.00 O ATOM 220 CB ARG A 49 25.113 3.992 -2.656 1.00 0.00 C ATOM 221 CG ARG A 49 25.460 2.955 -1.559 1.00 0.00 C ATOM 222 CD ARG A 49 24.439 1.812 -1.589 1.00 0.00 C ATOM 223 NE ARG A 49 23.129 2.302 -1.065 1.00 0.00 N ATOM 224 CZ ARG A 49 22.993 2.582 0.200 1.00 0.00 C ATOM 225 NH1 ARG A 49 23.024 1.626 1.087 1.00 0.00 N ATOM 226 NH2 ARG A 49 22.846 3.818 0.582 1.00 0.00 N ATOM 0 H ARG A 49 27.385 5.025 -2.962 1.00 0.00 H new ATOM 0 HA ARG A 49 24.700 6.075 -2.804 1.00 0.00 H new ATOM 0 HB2 ARG A 49 24.054 3.906 -2.900 1.00 0.00 H new ATOM 0 HB3 ARG A 49 25.669 3.747 -3.561 1.00 0.00 H new ATOM 0 HG2 ARG A 49 26.464 2.563 -1.720 1.00 0.00 H new ATOM 0 HG3 ARG A 49 25.457 3.433 -0.579 1.00 0.00 H new ATOM 0 HD2 ARG A 49 24.320 1.443 -2.608 1.00 0.00 H new ATOM 0 HD3 ARG A 49 24.795 0.976 -0.986 1.00 0.00 H new ATOM 0 HE ARG A 49 22.339 2.418 -1.699 1.00 0.00 H new ATOM 0 HH11 ARG A 49 23.155 0.659 0.790 1.00 0.00 H new ATOM 0 HH12 ARG A 49 22.918 1.846 2.077 1.00 0.00 H new ATOM 0 HH21 ARG A 49 22.837 4.568 -0.109 1.00 0.00 H new ATOM 0 HH22 ARG A 49 22.740 4.036 1.573 1.00 0.00 H new ATOM 240 N ALA A 50 26.293 5.405 0.037 1.00 0.00 N ATOM 241 CA ALA A 50 26.240 5.688 1.510 1.00 0.00 C ATOM 242 C ALA A 50 26.823 7.091 1.774 1.00 0.00 C ATOM 243 O ALA A 50 26.461 7.757 2.726 1.00 0.00 O ATOM 244 CB ALA A 50 27.083 4.659 2.250 1.00 0.00 C ATOM 0 H ALA A 50 27.162 4.982 -0.288 1.00 0.00 H new ATOM 0 HA ALA A 50 25.207 5.640 1.856 1.00 0.00 H new ATOM 0 HB1 ALA A 50 27.047 4.861 3.320 1.00 0.00 H new ATOM 0 HB2 ALA A 50 26.691 3.660 2.056 1.00 0.00 H new ATOM 0 HB3 ALA A 50 28.115 4.718 1.904 1.00 0.00 H new ATOM 250 N GLU A 51 27.724 7.507 0.906 1.00 0.00 N ATOM 251 CA GLU A 51 28.406 8.814 0.959 1.00 0.00 C ATOM 252 C GLU A 51 29.112 9.108 2.321 1.00 0.00 C ATOM 253 O GLU A 51 29.546 10.231 2.559 1.00 0.00 O ATOM 254 CB GLU A 51 27.394 9.858 0.504 1.00 0.00 C ATOM 255 CG GLU A 51 26.661 10.518 1.683 1.00 0.00 C ATOM 256 CD GLU A 51 26.173 11.909 1.272 1.00 0.00 C ATOM 257 OE1 GLU A 51 27.002 12.800 1.184 1.00 0.00 O ATOM 258 OE2 GLU A 51 24.983 12.059 1.051 1.00 0.00 O ATOM 0 H GLU A 51 28.021 6.937 0.114 1.00 0.00 H new ATOM 0 HA GLU A 51 29.258 8.830 0.280 1.00 0.00 H new ATOM 0 HB2 GLU A 51 27.905 10.625 -0.078 1.00 0.00 H new ATOM 0 HB3 GLU A 51 26.665 9.389 -0.157 1.00 0.00 H new ATOM 0 HG2 GLU A 51 25.816 9.901 1.990 1.00 0.00 H new ATOM 0 HG3 GLU A 51 27.328 10.595 2.542 1.00 0.00 H new ATOM 265 N ASP A 52 29.305 8.102 3.176 1.00 0.00 N ATOM 266 CA ASP A 52 30.050 8.314 4.458 1.00 0.00 C ATOM 267 C ASP A 52 31.512 7.874 4.218 1.00 0.00 C ATOM 268 O ASP A 52 32.422 8.636 4.497 1.00 0.00 O ATOM 269 CB ASP A 52 29.376 7.550 5.629 1.00 0.00 C ATOM 270 CG ASP A 52 29.436 6.026 5.449 1.00 0.00 C ATOM 271 OD1 ASP A 52 28.920 5.537 4.454 1.00 0.00 O ATOM 272 OD2 ASP A 52 29.998 5.374 6.314 1.00 0.00 O ATOM 0 H ASP A 52 28.973 7.149 3.027 1.00 0.00 H new ATOM 0 HA ASP A 52 30.034 9.364 4.751 1.00 0.00 H new ATOM 0 HB2 ASP A 52 29.865 7.822 6.565 1.00 0.00 H new ATOM 0 HB3 ASP A 52 28.335 7.862 5.711 1.00 0.00 H new ATOM 277 N SER A 53 31.736 6.680 3.639 1.00 0.00 N ATOM 278 CA SER A 53 33.142 6.220 3.313 1.00 0.00 C ATOM 279 C SER A 53 33.850 7.246 2.412 1.00 0.00 C ATOM 280 O SER A 53 35.056 7.424 2.514 1.00 0.00 O ATOM 281 CB SER A 53 33.108 4.844 2.625 1.00 0.00 C ATOM 282 OG SER A 53 33.530 3.834 3.554 1.00 0.00 O ATOM 0 H SER A 53 31.002 6.019 3.385 1.00 0.00 H new ATOM 0 HA SER A 53 33.700 6.133 4.245 1.00 0.00 H new ATOM 0 HB2 SER A 53 32.101 4.628 2.269 1.00 0.00 H new ATOM 0 HB3 SER A 53 33.761 4.846 1.752 1.00 0.00 H new ATOM 0 HG SER A 53 34.256 4.184 4.111 1.00 0.00 H new ATOM 288 N GLY A 54 33.102 7.928 1.563 1.00 0.00 N ATOM 289 CA GLY A 54 33.680 8.976 0.653 1.00 0.00 C ATOM 290 C GLY A 54 34.362 10.104 1.462 1.00 0.00 C ATOM 291 O GLY A 54 35.252 10.759 0.947 1.00 0.00 O ATOM 0 H GLY A 54 32.095 7.797 1.463 1.00 0.00 H new ATOM 0 HA2 GLY A 54 34.405 8.518 -0.020 1.00 0.00 H new ATOM 0 HA3 GLY A 54 32.890 9.397 0.031 1.00 0.00 H new ATOM 295 N ASN A 55 33.951 10.346 2.709 1.00 0.00 N ATOM 296 CA ASN A 55 34.583 11.439 3.532 1.00 0.00 C ATOM 297 C ASN A 55 35.295 10.873 4.794 1.00 0.00 C ATOM 298 O ASN A 55 36.323 11.397 5.194 1.00 0.00 O ATOM 299 CB ASN A 55 33.511 12.482 3.919 1.00 0.00 C ATOM 300 CG ASN A 55 32.482 11.910 4.892 1.00 0.00 C ATOM 301 OD1 ASN A 55 32.721 11.832 6.078 1.00 0.00 O ATOM 302 ND2 ASN A 55 31.333 11.518 4.438 1.00 0.00 N ATOM 0 H ASN A 55 33.208 9.830 3.181 1.00 0.00 H new ATOM 0 HA ASN A 55 35.350 11.924 2.928 1.00 0.00 H new ATOM 0 HB2 ASN A 55 33.994 13.348 4.370 1.00 0.00 H new ATOM 0 HB3 ASN A 55 33.004 12.832 3.020 1.00 0.00 H new ATOM 0 HD21 ASN A 55 30.632 11.145 5.078 1.00 0.00 H new ATOM 0 HD22 ASN A 55 31.130 11.583 3.441 1.00 0.00 H new ATOM 309 N GLU A 56 34.754 9.830 5.425 1.00 0.00 N ATOM 310 CA GLU A 56 35.396 9.247 6.669 1.00 0.00 C ATOM 311 C GLU A 56 36.798 8.677 6.368 1.00 0.00 C ATOM 312 O GLU A 56 37.703 8.840 7.172 1.00 0.00 O ATOM 313 CB GLU A 56 34.498 8.146 7.289 1.00 0.00 C ATOM 314 CG GLU A 56 34.200 7.011 6.284 1.00 0.00 C ATOM 315 CD GLU A 56 35.186 5.827 6.392 1.00 0.00 C ATOM 316 OE1 GLU A 56 35.675 5.548 7.480 1.00 0.00 O ATOM 317 OE2 GLU A 56 35.408 5.196 5.367 1.00 0.00 O ATOM 0 H GLU A 56 33.897 9.362 5.129 1.00 0.00 H new ATOM 0 HA GLU A 56 35.506 10.059 7.388 1.00 0.00 H new ATOM 0 HB2 GLU A 56 34.988 7.731 8.170 1.00 0.00 H new ATOM 0 HB3 GLU A 56 33.560 8.589 7.625 1.00 0.00 H new ATOM 0 HG2 GLU A 56 33.186 6.647 6.448 1.00 0.00 H new ATOM 0 HG3 GLU A 56 34.235 7.413 5.271 1.00 0.00 H new ATOM 324 N SER A 57 36.993 8.016 5.235 1.00 0.00 N ATOM 325 CA SER A 57 38.357 7.441 4.899 1.00 0.00 C ATOM 326 C SER A 57 38.420 7.076 3.399 1.00 0.00 C ATOM 327 O SER A 57 38.836 5.986 3.018 1.00 0.00 O ATOM 328 CB SER A 57 38.591 6.193 5.750 1.00 0.00 C ATOM 329 OG SER A 57 39.193 6.547 6.998 1.00 0.00 O ATOM 0 H SER A 57 36.272 7.850 4.532 1.00 0.00 H new ATOM 0 HA SER A 57 39.130 8.180 5.110 1.00 0.00 H new ATOM 0 HB2 SER A 57 37.644 5.683 5.927 1.00 0.00 H new ATOM 0 HB3 SER A 57 39.234 5.495 5.214 1.00 0.00 H new ATOM 0 HG SER A 57 38.816 7.395 7.314 1.00 0.00 H new ATOM 335 N GLU A 58 37.990 7.997 2.557 1.00 0.00 N ATOM 336 CA GLU A 58 37.965 7.799 1.050 1.00 0.00 C ATOM 337 C GLU A 58 39.257 7.142 0.520 1.00 0.00 C ATOM 338 O GLU A 58 39.187 6.169 -0.211 1.00 0.00 O ATOM 339 CB GLU A 58 37.793 9.164 0.368 1.00 0.00 C ATOM 340 CG GLU A 58 37.051 8.997 -0.969 1.00 0.00 C ATOM 341 CD GLU A 58 38.039 8.607 -2.078 1.00 0.00 C ATOM 342 OE1 GLU A 58 38.878 9.428 -2.417 1.00 0.00 O ATOM 343 OE2 GLU A 58 37.930 7.498 -2.576 1.00 0.00 O ATOM 0 H GLU A 58 37.643 8.908 2.856 1.00 0.00 H new ATOM 0 HA GLU A 58 37.133 7.133 0.821 1.00 0.00 H new ATOM 0 HB2 GLU A 58 37.237 9.837 1.020 1.00 0.00 H new ATOM 0 HB3 GLU A 58 38.768 9.619 0.197 1.00 0.00 H new ATOM 0 HG2 GLU A 58 36.280 8.232 -0.873 1.00 0.00 H new ATOM 0 HG3 GLU A 58 36.546 9.927 -1.232 1.00 0.00 H new ATOM 350 N GLY A 59 40.412 7.676 0.881 1.00 0.00 N ATOM 351 CA GLY A 59 41.719 7.109 0.403 1.00 0.00 C ATOM 352 C GLY A 59 41.929 5.684 0.904 1.00 0.00 C ATOM 353 O GLY A 59 42.465 4.860 0.179 1.00 0.00 O ATOM 0 H GLY A 59 40.500 8.488 1.492 1.00 0.00 H new ATOM 0 HA2 GLY A 59 41.744 7.120 -0.687 1.00 0.00 H new ATOM 0 HA3 GLY A 59 42.538 7.741 0.747 1.00 0.00 H new ATOM 357 N ASP A 60 41.496 5.377 2.114 1.00 0.00 N ATOM 358 CA ASP A 60 41.645 3.982 2.655 1.00 0.00 C ATOM 359 C ASP A 60 40.893 2.998 1.745 1.00 0.00 C ATOM 360 O ASP A 60 41.350 1.893 1.503 1.00 0.00 O ATOM 361 CB ASP A 60 41.075 3.920 4.077 1.00 0.00 C ATOM 362 CG ASP A 60 41.318 2.531 4.678 1.00 0.00 C ATOM 363 OD1 ASP A 60 42.462 2.228 4.964 1.00 0.00 O ATOM 364 OD2 ASP A 60 40.355 1.795 4.831 1.00 0.00 O ATOM 0 H ASP A 60 41.045 6.036 2.749 1.00 0.00 H new ATOM 0 HA ASP A 60 42.700 3.710 2.682 1.00 0.00 H new ATOM 0 HB2 ASP A 60 41.544 4.682 4.699 1.00 0.00 H new ATOM 0 HB3 ASP A 60 40.007 4.136 4.059 1.00 0.00 H new ATOM 369 N GLN A 61 39.756 3.412 1.237 1.00 0.00 N ATOM 370 CA GLN A 61 38.946 2.556 0.337 1.00 0.00 C ATOM 371 C GLN A 61 39.452 2.694 -1.111 1.00 0.00 C ATOM 372 O GLN A 61 39.660 1.709 -1.783 1.00 0.00 O ATOM 373 CB GLN A 61 37.488 3.000 0.471 1.00 0.00 C ATOM 374 CG GLN A 61 36.960 2.492 1.814 1.00 0.00 C ATOM 375 CD GLN A 61 36.873 3.637 2.840 1.00 0.00 C ATOM 376 OE1 GLN A 61 37.430 3.540 3.912 1.00 0.00 O ATOM 377 NE2 GLN A 61 36.205 4.726 2.562 1.00 0.00 N ATOM 0 H GLN A 61 39.353 4.331 1.418 1.00 0.00 H new ATOM 0 HA GLN A 61 39.032 1.504 0.607 1.00 0.00 H new ATOM 0 HB2 GLN A 61 37.414 4.086 0.419 1.00 0.00 H new ATOM 0 HB3 GLN A 61 36.891 2.600 -0.349 1.00 0.00 H new ATOM 0 HG2 GLN A 61 35.975 2.046 1.677 1.00 0.00 H new ATOM 0 HG3 GLN A 61 37.615 1.708 2.193 1.00 0.00 H new ATOM 0 HE21 GLN A 61 35.732 4.819 1.663 1.00 0.00 H new ATOM 0 HE22 GLN A 61 36.157 5.483 3.244 1.00 0.00 H new ATOM 386 N GLU A 62 39.657 3.907 -1.576 1.00 0.00 N ATOM 387 CA GLU A 62 40.163 4.136 -2.976 1.00 0.00 C ATOM 388 C GLU A 62 41.497 3.394 -3.202 1.00 0.00 C ATOM 389 O GLU A 62 41.712 2.837 -4.266 1.00 0.00 O ATOM 390 CB GLU A 62 40.374 5.646 -3.206 1.00 0.00 C ATOM 391 CG GLU A 62 39.736 6.065 -4.535 1.00 0.00 C ATOM 392 CD GLU A 62 40.510 5.442 -5.699 1.00 0.00 C ATOM 393 OE1 GLU A 62 41.531 5.998 -6.070 1.00 0.00 O ATOM 394 OE2 GLU A 62 40.069 4.420 -6.198 1.00 0.00 O ATOM 0 H GLU A 62 39.494 4.759 -1.040 1.00 0.00 H new ATOM 0 HA GLU A 62 39.425 3.752 -3.680 1.00 0.00 H new ATOM 0 HB2 GLU A 62 39.933 6.213 -2.386 1.00 0.00 H new ATOM 0 HB3 GLU A 62 41.439 5.876 -3.215 1.00 0.00 H new ATOM 0 HG2 GLU A 62 38.694 5.745 -4.566 1.00 0.00 H new ATOM 0 HG3 GLU A 62 39.739 7.151 -4.624 1.00 0.00 H new ATOM 401 N GLU A 63 42.397 3.400 -2.224 1.00 0.00 N ATOM 402 CA GLU A 63 43.728 2.715 -2.393 1.00 0.00 C ATOM 403 C GLU A 63 43.742 1.287 -1.799 1.00 0.00 C ATOM 404 O GLU A 63 44.404 0.421 -2.348 1.00 0.00 O ATOM 405 CB GLU A 63 44.822 3.552 -1.714 1.00 0.00 C ATOM 406 CG GLU A 63 46.177 3.250 -2.373 1.00 0.00 C ATOM 407 CD GLU A 63 47.318 3.724 -1.469 1.00 0.00 C ATOM 408 OE1 GLU A 63 47.493 3.139 -0.411 1.00 0.00 O ATOM 409 OE2 GLU A 63 48.004 4.657 -1.853 1.00 0.00 O ATOM 0 H GLU A 63 42.261 3.851 -1.319 1.00 0.00 H new ATOM 0 HA GLU A 63 43.913 2.628 -3.464 1.00 0.00 H new ATOM 0 HB2 GLU A 63 44.591 4.614 -1.802 1.00 0.00 H new ATOM 0 HB3 GLU A 63 44.863 3.322 -0.649 1.00 0.00 H new ATOM 0 HG2 GLU A 63 46.270 2.180 -2.558 1.00 0.00 H new ATOM 0 HG3 GLU A 63 46.239 3.748 -3.341 1.00 0.00 H new ATOM 416 N LEU A 64 43.065 1.030 -0.677 1.00 0.00 N ATOM 417 CA LEU A 64 43.105 -0.351 -0.059 1.00 0.00 C ATOM 418 C LEU A 64 41.735 -1.088 -0.101 1.00 0.00 C ATOM 419 O LEU A 64 41.560 -2.066 0.614 1.00 0.00 O ATOM 420 CB LEU A 64 43.591 -0.229 1.395 1.00 0.00 C ATOM 421 CG LEU A 64 45.124 -0.179 1.428 1.00 0.00 C ATOM 422 CD1 LEU A 64 45.598 1.271 1.287 1.00 0.00 C ATOM 423 CD2 LEU A 64 45.628 -0.754 2.755 1.00 0.00 C ATOM 0 H LEU A 64 42.496 1.711 -0.174 1.00 0.00 H new ATOM 0 HA LEU A 64 43.792 -0.954 -0.652 1.00 0.00 H new ATOM 0 HB2 LEU A 64 43.179 0.671 1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 64 43.233 -1.076 1.980 1.00 0.00 H new ATOM 0 HG LEU A 64 45.520 -0.770 0.602 1.00 0.00 H new ATOM 0 HD11 LEU A 64 46.687 1.302 1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 64 45.244 1.679 0.340 1.00 0.00 H new ATOM 0 HD13 LEU A 64 45.200 1.865 2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 64 46.717 -0.718 2.777 1.00 0.00 H new ATOM 0 HD22 LEU A 64 45.229 -0.166 3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 64 45.297 -1.788 2.852 1.00 0.00 H new ATOM 435 N SER A 65 40.777 -0.650 -0.938 1.00 0.00 N ATOM 436 CA SER A 65 39.413 -1.321 -1.066 1.00 0.00 C ATOM 437 C SER A 65 39.516 -2.866 -1.055 1.00 0.00 C ATOM 438 O SER A 65 38.693 -3.533 -0.450 1.00 0.00 O ATOM 439 CB SER A 65 38.765 -0.887 -2.388 1.00 0.00 C ATOM 440 OG SER A 65 37.520 -0.254 -2.113 1.00 0.00 O ATOM 0 H SER A 65 40.894 0.161 -1.546 1.00 0.00 H new ATOM 0 HA SER A 65 38.814 -1.015 -0.209 1.00 0.00 H new ATOM 0 HB2 SER A 65 39.424 -0.203 -2.923 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.612 -1.752 -3.033 1.00 0.00 H new ATOM 0 HG SER A 65 37.540 0.666 -2.450 1.00 0.00 H new ATOM 446 N ALA A 66 40.518 -3.414 -1.723 1.00 0.00 N ATOM 447 CA ALA A 66 40.719 -4.903 -1.785 1.00 0.00 C ATOM 448 C ALA A 66 40.676 -5.554 -0.394 1.00 0.00 C ATOM 449 O ALA A 66 40.076 -6.603 -0.222 1.00 0.00 O ATOM 450 CB ALA A 66 42.082 -5.186 -2.419 1.00 0.00 C ATOM 0 H ALA A 66 41.216 -2.877 -2.237 1.00 0.00 H new ATOM 0 HA ALA A 66 39.908 -5.327 -2.377 1.00 0.00 H new ATOM 0 HB1 ALA A 66 42.243 -6.263 -2.471 1.00 0.00 H new ATOM 0 HB2 ALA A 66 42.110 -4.766 -3.424 1.00 0.00 H new ATOM 0 HB3 ALA A 66 42.866 -4.731 -1.814 1.00 0.00 H new ATOM 456 N LEU A 67 41.329 -4.956 0.575 1.00 0.00 N ATOM 457 CA LEU A 67 41.372 -5.543 1.961 1.00 0.00 C ATOM 458 C LEU A 67 40.501 -4.726 2.926 1.00 0.00 C ATOM 459 O LEU A 67 39.566 -5.250 3.506 1.00 0.00 O ATOM 460 CB LEU A 67 42.832 -5.596 2.499 1.00 0.00 C ATOM 461 CG LEU A 67 43.857 -5.650 1.355 1.00 0.00 C ATOM 462 CD1 LEU A 67 45.229 -5.254 1.879 1.00 0.00 C ATOM 463 CD2 LEU A 67 43.916 -7.067 0.776 1.00 0.00 C ATOM 0 H LEU A 67 41.839 -4.079 0.468 1.00 0.00 H new ATOM 0 HA LEU A 67 40.981 -6.559 1.900 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.024 -4.720 3.118 1.00 0.00 H new ATOM 0 HB3 LEU A 67 42.953 -6.471 3.138 1.00 0.00 H new ATOM 0 HG LEU A 67 43.555 -4.956 0.571 1.00 0.00 H new ATOM 0 HD11 LEU A 67 45.954 -5.293 1.066 1.00 0.00 H new ATOM 0 HD12 LEU A 67 45.187 -4.241 2.280 1.00 0.00 H new ATOM 0 HD13 LEU A 67 45.530 -5.944 2.667 1.00 0.00 H new ATOM 0 HD21 LEU A 67 44.644 -7.099 -0.034 1.00 0.00 H new ATOM 0 HD22 LEU A 67 44.212 -7.767 1.557 1.00 0.00 H new ATOM 0 HD23 LEU A 67 42.934 -7.345 0.393 1.00 0.00 H new ATOM 475 N VAL A 68 40.820 -3.451 3.091 1.00 0.00 N ATOM 476 CA VAL A 68 40.066 -2.514 4.019 1.00 0.00 C ATOM 477 C VAL A 68 39.856 -3.180 5.414 1.00 0.00 C ATOM 478 O VAL A 68 38.760 -3.596 5.775 1.00 0.00 O ATOM 479 CB VAL A 68 38.735 -2.124 3.351 1.00 0.00 C ATOM 480 CG1 VAL A 68 37.900 -1.214 4.268 1.00 0.00 C ATOM 481 CG2 VAL A 68 39.026 -1.364 2.057 1.00 0.00 C ATOM 0 H VAL A 68 41.598 -3.005 2.605 1.00 0.00 H new ATOM 0 HA VAL A 68 40.644 -1.606 4.192 1.00 0.00 H new ATOM 0 HB VAL A 68 38.175 -3.037 3.150 1.00 0.00 H new ATOM 0 HG11 VAL A 68 36.966 -0.955 3.770 1.00 0.00 H new ATOM 0 HG12 VAL A 68 37.682 -1.737 5.199 1.00 0.00 H new ATOM 0 HG13 VAL A 68 38.460 -0.304 4.486 1.00 0.00 H new ATOM 0 HG21 VAL A 68 38.087 -1.085 1.580 1.00 0.00 H new ATOM 0 HG22 VAL A 68 39.598 -0.465 2.284 1.00 0.00 H new ATOM 0 HG23 VAL A 68 39.601 -1.999 1.383 1.00 0.00 H new ATOM 491 N GLU A 69 40.924 -3.293 6.177 1.00 0.00 N ATOM 492 CA GLU A 69 40.843 -3.942 7.545 1.00 0.00 C ATOM 493 C GLU A 69 40.894 -2.907 8.693 1.00 0.00 C ATOM 494 O GLU A 69 40.712 -3.270 9.847 1.00 0.00 O ATOM 495 CB GLU A 69 42.007 -4.955 7.731 1.00 0.00 C ATOM 496 CG GLU A 69 43.342 -4.443 7.122 1.00 0.00 C ATOM 497 CD GLU A 69 43.705 -3.050 7.656 1.00 0.00 C ATOM 498 OE1 GLU A 69 44.110 -2.963 8.804 1.00 0.00 O ATOM 499 OE2 GLU A 69 43.566 -2.094 6.899 1.00 0.00 O ATOM 0 H GLU A 69 41.854 -2.965 5.916 1.00 0.00 H new ATOM 0 HA GLU A 69 39.882 -4.454 7.591 1.00 0.00 H new ATOM 0 HB2 GLU A 69 42.148 -5.151 8.794 1.00 0.00 H new ATOM 0 HB3 GLU A 69 41.738 -5.903 7.265 1.00 0.00 H new ATOM 0 HG2 GLU A 69 44.143 -5.144 7.357 1.00 0.00 H new ATOM 0 HG3 GLU A 69 43.258 -4.407 6.036 1.00 0.00 H new ATOM 506 N ARG A 70 41.156 -1.651 8.392 1.00 0.00 N ATOM 507 CA ARG A 70 41.244 -0.585 9.439 1.00 0.00 C ATOM 508 C ARG A 70 39.850 -0.357 10.069 1.00 0.00 C ATOM 509 O ARG A 70 39.138 0.575 9.715 1.00 0.00 O ATOM 510 CB ARG A 70 41.771 0.705 8.779 1.00 0.00 C ATOM 511 CG ARG A 70 43.195 0.998 9.262 1.00 0.00 C ATOM 512 CD ARG A 70 43.980 1.686 8.142 1.00 0.00 C ATOM 513 NE ARG A 70 44.479 0.667 7.161 1.00 0.00 N ATOM 514 CZ ARG A 70 45.439 0.978 6.336 1.00 0.00 C ATOM 515 NH1 ARG A 70 45.159 1.606 5.228 1.00 0.00 N ATOM 516 NH2 ARG A 70 46.672 0.669 6.632 1.00 0.00 N ATOM 0 H ARG A 70 41.315 -1.318 7.441 1.00 0.00 H new ATOM 0 HA ARG A 70 41.927 -0.885 10.234 1.00 0.00 H new ATOM 0 HB2 ARG A 70 41.761 0.598 7.694 1.00 0.00 H new ATOM 0 HB3 ARG A 70 41.116 1.542 9.023 1.00 0.00 H new ATOM 0 HG2 ARG A 70 43.167 1.635 10.146 1.00 0.00 H new ATOM 0 HG3 ARG A 70 43.690 0.071 9.552 1.00 0.00 H new ATOM 0 HD2 ARG A 70 43.344 2.411 7.634 1.00 0.00 H new ATOM 0 HD3 ARG A 70 44.820 2.239 8.563 1.00 0.00 H new ATOM 0 HE ARG A 70 44.068 -0.266 7.140 1.00 0.00 H new ATOM 0 HH11 ARG A 70 44.193 1.851 5.011 1.00 0.00 H new ATOM 0 HH12 ARG A 70 45.906 1.852 4.578 1.00 0.00 H new ATOM 0 HH21 ARG A 70 46.881 0.186 7.506 1.00 0.00 H new ATOM 0 HH22 ARG A 70 47.427 0.910 5.989 1.00 0.00 H new ATOM 530 N GLY A 71 39.463 -1.225 10.994 1.00 0.00 N ATOM 531 CA GLY A 71 38.122 -1.121 11.667 1.00 0.00 C ATOM 532 C GLY A 71 36.980 -1.287 10.648 1.00 0.00 C ATOM 533 O GLY A 71 35.925 -0.731 10.859 1.00 0.00 O ATOM 0 H GLY A 71 40.032 -2.010 11.311 1.00 0.00 H new ATOM 0 HA2 GLY A 71 38.039 -1.885 12.440 1.00 0.00 H new ATOM 0 HA3 GLY A 71 38.034 -0.155 12.163 1.00 0.00 H new ATOM 537 N HIS A 72 37.202 -2.060 9.573 1.00 0.00 N ATOM 538 CA HIS A 72 36.175 -2.317 8.476 1.00 0.00 C ATOM 539 C HIS A 72 35.395 -1.039 8.090 1.00 0.00 C ATOM 540 O HIS A 72 34.387 -0.707 8.695 1.00 0.00 O ATOM 541 CB HIS A 72 35.175 -3.460 8.825 1.00 0.00 C ATOM 542 CG HIS A 72 34.683 -3.391 10.252 1.00 0.00 C ATOM 543 ND1 HIS A 72 33.377 -3.051 10.564 1.00 0.00 N ATOM 544 CD2 HIS A 72 35.299 -3.639 11.451 1.00 0.00 C ATOM 545 CE1 HIS A 72 33.249 -3.110 11.904 1.00 0.00 C ATOM 546 NE2 HIS A 72 34.393 -3.463 12.493 1.00 0.00 N ATOM 0 H HIS A 72 38.089 -2.538 9.413 1.00 0.00 H new ATOM 0 HA HIS A 72 36.761 -2.641 7.616 1.00 0.00 H new ATOM 0 HB2 HIS A 72 34.322 -3.410 8.148 1.00 0.00 H new ATOM 0 HB3 HIS A 72 35.658 -4.423 8.658 1.00 0.00 H new ATOM 0 HD1 HIS A 72 32.645 -2.801 9.900 1.00 0.00 H new ATOM 0 HD2 HIS A 72 36.333 -3.928 11.570 1.00 0.00 H new ATOM 0 HE1 HIS A 72 32.333 -2.898 12.436 1.00 0.00 H new ATOM 554 N LEU A 73 35.852 -0.333 7.060 1.00 0.00 N ATOM 555 CA LEU A 73 35.147 0.913 6.589 1.00 0.00 C ATOM 556 C LEU A 73 34.866 0.778 5.068 1.00 0.00 C ATOM 557 O LEU A 73 35.680 1.150 4.234 1.00 0.00 O ATOM 558 CB LEU A 73 36.026 2.158 6.869 1.00 0.00 C ATOM 559 CG LEU A 73 35.840 2.668 8.315 1.00 0.00 C ATOM 560 CD1 LEU A 73 34.370 3.029 8.567 1.00 0.00 C ATOM 561 CD2 LEU A 73 36.281 1.597 9.316 1.00 0.00 C ATOM 0 H LEU A 73 36.688 -0.574 6.528 1.00 0.00 H new ATOM 0 HA LEU A 73 34.206 1.034 7.125 1.00 0.00 H new ATOM 0 HB2 LEU A 73 37.074 1.910 6.701 1.00 0.00 H new ATOM 0 HB3 LEU A 73 35.770 2.951 6.166 1.00 0.00 H new ATOM 0 HG LEU A 73 36.455 3.558 8.447 1.00 0.00 H new ATOM 0 HD11 LEU A 73 34.253 3.387 9.590 1.00 0.00 H new ATOM 0 HD12 LEU A 73 34.063 3.810 7.872 1.00 0.00 H new ATOM 0 HD13 LEU A 73 33.748 2.146 8.418 1.00 0.00 H new ATOM 0 HD21 LEU A 73 36.145 1.970 10.331 1.00 0.00 H new ATOM 0 HD22 LEU A 73 35.680 0.698 9.176 1.00 0.00 H new ATOM 0 HD23 LEU A 73 37.333 1.359 9.155 1.00 0.00 H new ATOM 573 N ALA A 74 33.725 0.205 4.713 1.00 0.00 N ATOM 574 CA ALA A 74 33.361 -0.016 3.262 1.00 0.00 C ATOM 575 C ALA A 74 31.874 -0.483 3.164 1.00 0.00 C ATOM 576 O ALA A 74 31.187 -0.445 4.176 1.00 0.00 O ATOM 577 CB ALA A 74 34.311 -1.089 2.734 1.00 0.00 C ATOM 0 H ALA A 74 33.023 -0.122 5.377 1.00 0.00 H new ATOM 0 HA ALA A 74 33.456 0.897 2.674 1.00 0.00 H new ATOM 0 HB1 ALA A 74 34.090 -1.287 1.685 1.00 0.00 H new ATOM 0 HB2 ALA A 74 35.340 -0.742 2.828 1.00 0.00 H new ATOM 0 HB3 ALA A 74 34.182 -2.005 3.311 1.00 0.00 H new ATOM 583 N PRO A 75 31.416 -0.919 1.962 1.00 0.00 N ATOM 584 CA PRO A 75 29.974 -1.401 1.839 1.00 0.00 C ATOM 585 C PRO A 75 29.470 -2.269 2.991 1.00 0.00 C ATOM 586 O PRO A 75 28.326 -2.146 3.377 1.00 0.00 O ATOM 587 CB PRO A 75 29.912 -2.141 0.503 1.00 0.00 C ATOM 588 CG PRO A 75 31.359 -2.455 0.155 1.00 0.00 C ATOM 589 CD PRO A 75 32.124 -1.233 0.686 1.00 0.00 C ATOM 0 HA PRO A 75 29.304 -0.543 1.885 1.00 0.00 H new ATOM 0 HB2 PRO A 75 29.320 -3.052 0.585 1.00 0.00 H new ATOM 0 HB3 PRO A 75 29.446 -1.526 -0.267 1.00 0.00 H new ATOM 0 HG2 PRO A 75 31.696 -3.377 0.629 1.00 0.00 H new ATOM 0 HG3 PRO A 75 31.496 -2.580 -0.919 1.00 0.00 H new ATOM 0 HD2 PRO A 75 33.177 -1.458 0.854 1.00 0.00 H new ATOM 0 HD3 PRO A 75 32.085 -0.398 -0.013 1.00 0.00 H new ATOM 597 N TRP A 76 30.304 -3.105 3.550 1.00 0.00 N ATOM 598 CA TRP A 76 29.868 -3.980 4.728 1.00 0.00 C ATOM 599 C TRP A 76 29.241 -3.109 5.862 1.00 0.00 C ATOM 600 O TRP A 76 28.370 -3.571 6.583 1.00 0.00 O ATOM 601 CB TRP A 76 31.027 -4.865 5.321 1.00 0.00 C ATOM 602 CG TRP A 76 32.402 -4.341 5.045 1.00 0.00 C ATOM 603 CD1 TRP A 76 33.168 -3.631 5.900 1.00 0.00 C ATOM 604 CD2 TRP A 76 33.189 -4.527 3.847 1.00 0.00 C ATOM 605 NE1 TRP A 76 34.384 -3.365 5.289 1.00 0.00 N ATOM 606 CE2 TRP A 76 34.438 -3.898 4.016 1.00 0.00 C ATOM 607 CE3 TRP A 76 32.922 -5.173 2.640 1.00 0.00 C ATOM 608 CZ2 TRP A 76 35.401 -3.915 3.007 1.00 0.00 C ATOM 609 CZ3 TRP A 76 33.877 -5.193 1.622 1.00 0.00 C ATOM 610 CH2 TRP A 76 35.119 -4.566 1.801 1.00 0.00 C ATOM 0 H TRP A 76 31.272 -3.235 3.257 1.00 0.00 H new ATOM 0 HA TRP A 76 29.121 -4.664 4.326 1.00 0.00 H new ATOM 0 HB2 TRP A 76 30.891 -4.947 6.399 1.00 0.00 H new ATOM 0 HB3 TRP A 76 30.945 -5.872 4.912 1.00 0.00 H new ATOM 0 HD1 TRP A 76 32.882 -3.322 6.894 1.00 0.00 H new ATOM 0 HE1 TRP A 76 35.143 -2.842 5.725 1.00 0.00 H new ATOM 0 HE3 TRP A 76 31.970 -5.661 2.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 36.355 -3.430 3.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 33.658 -5.694 0.691 1.00 0.00 H new ATOM 0 HH2 TRP A 76 35.855 -4.586 1.011 1.00 0.00 H new ATOM 621 N ASP A 77 29.660 -1.856 5.991 1.00 0.00 N ATOM 622 CA ASP A 77 29.093 -0.930 7.043 1.00 0.00 C ATOM 623 C ASP A 77 28.370 0.247 6.350 1.00 0.00 C ATOM 624 O ASP A 77 27.211 0.501 6.627 1.00 0.00 O ATOM 625 CB ASP A 77 30.206 -0.367 7.966 1.00 0.00 C ATOM 626 CG ASP A 77 31.508 -1.165 7.823 1.00 0.00 C ATOM 627 OD1 ASP A 77 32.250 -0.879 6.895 1.00 0.00 O ATOM 628 OD2 ASP A 77 31.723 -2.059 8.623 1.00 0.00 O ATOM 0 H ASP A 77 30.379 -1.434 5.404 1.00 0.00 H new ATOM 0 HA ASP A 77 28.396 -1.501 7.656 1.00 0.00 H new ATOM 0 HB2 ASP A 77 30.390 0.679 7.721 1.00 0.00 H new ATOM 0 HB3 ASP A 77 29.871 -0.397 9.003 1.00 0.00 H new ATOM 633 N VAL A 78 29.055 0.962 5.460 1.00 0.00 N ATOM 634 CA VAL A 78 28.435 2.133 4.730 1.00 0.00 C ATOM 635 C VAL A 78 27.100 1.729 4.061 1.00 0.00 C ATOM 636 O VAL A 78 26.146 2.497 4.106 1.00 0.00 O ATOM 637 CB VAL A 78 29.428 2.686 3.669 1.00 0.00 C ATOM 638 CG1 VAL A 78 30.726 3.128 4.353 1.00 0.00 C ATOM 639 CG2 VAL A 78 29.744 1.633 2.618 1.00 0.00 C ATOM 0 H VAL A 78 30.027 0.778 5.210 1.00 0.00 H new ATOM 0 HA VAL A 78 28.221 2.916 5.458 1.00 0.00 H new ATOM 0 HB VAL A 78 28.961 3.539 3.177 1.00 0.00 H new ATOM 0 HG11 VAL A 78 31.418 3.515 3.605 1.00 0.00 H new ATOM 0 HG12 VAL A 78 30.506 3.908 5.081 1.00 0.00 H new ATOM 0 HG13 VAL A 78 31.179 2.276 4.860 1.00 0.00 H new ATOM 0 HG21 VAL A 78 30.440 2.045 1.888 1.00 0.00 H new ATOM 0 HG22 VAL A 78 30.194 0.764 3.098 1.00 0.00 H new ATOM 0 HG23 VAL A 78 28.825 1.335 2.114 1.00 0.00 H new ATOM 649 N ASP A 79 27.008 0.536 3.468 1.00 0.00 N ATOM 650 CA ASP A 79 25.719 0.094 2.817 1.00 0.00 C ATOM 651 C ASP A 79 24.556 0.116 3.837 1.00 0.00 C ATOM 652 O ASP A 79 23.418 0.301 3.439 1.00 0.00 O ATOM 653 CB ASP A 79 25.875 -1.328 2.217 1.00 0.00 C ATOM 654 CG ASP A 79 24.569 -1.807 1.535 1.00 0.00 C ATOM 655 OD1 ASP A 79 23.960 -1.023 0.813 1.00 0.00 O ATOM 656 OD2 ASP A 79 24.202 -2.949 1.757 1.00 0.00 O ATOM 0 H ASP A 79 27.770 -0.140 3.412 1.00 0.00 H new ATOM 0 HA ASP A 79 25.488 0.792 2.012 1.00 0.00 H new ATOM 0 HB2 ASP A 79 26.687 -1.329 1.490 1.00 0.00 H new ATOM 0 HB3 ASP A 79 26.152 -2.028 3.006 1.00 0.00 H new