USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 472 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 107 MET CE :methyl 179:sc=-0.00818 (180deg=-0.021) USER MOD Set 1.2: A 112 GLN : amide:sc= 0.659 K(o=0.52,f=-9.2!) USER MOD Set 1.3: A 122 MET CE :methyl -155:sc= -0.134 (180deg=-0.892) USER MOD Set 2.1: A 84 GLN : amide:sc= 0.3 X(o=0.3,f=0) USER MOD Set 2.2: A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HE2:sc= -0.557 K(o=-0.56,f=-1.3) USER MOD Single : A 99 THR OG1 : rot 170:sc= 0.0371 USER MOD Single : A 116 GLN : amide:sc= -1.25 K(o=-1.2,f=0) USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 135 ASN : amide:sc= 0.956 K(o=0.96,f=-2!) USER MOD Single : A 142 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N ALA A 78 -0.681 -14.252 -2.865 1.00 10.00 N ATOM 38 CA ALA A 78 -0.684 -13.160 -1.915 1.00 10.00 C ATOM 39 C ALA A 78 -0.640 -11.866 -2.704 1.00 10.00 C ATOM 40 O ALA A 78 -1.698 -11.393 -3.094 1.00 10.00 O ATOM 41 CB ALA A 78 0.570 -13.289 -1.050 1.00 10.00 C ATOM 0 HA ALA A 78 -1.569 -13.175 -1.280 1.00 10.00 H new ATOM 0 HB1 ALA A 78 0.595 -12.478 -0.323 1.00 10.00 H new ATOM 0 HB2 ALA A 78 0.554 -14.245 -0.527 1.00 10.00 H new ATOM 0 HB3 ALA A 78 1.456 -13.236 -1.683 1.00 10.00 H new ATOM 47 N GLY A 79 0.571 -11.344 -2.963 1.00 10.00 N ATOM 48 CA GLY A 79 0.848 -10.126 -3.704 1.00 10.00 C ATOM 49 C GLY A 79 -0.377 -9.234 -3.720 1.00 10.00 C ATOM 50 O GLY A 79 -0.808 -8.748 -2.685 1.00 10.00 O ATOM 0 H GLY A 79 1.425 -11.796 -2.637 1.00 10.00 H new ATOM 0 HA2 GLY A 79 1.686 -9.598 -3.249 1.00 10.00 H new ATOM 0 HA3 GLY A 79 1.142 -10.371 -4.725 1.00 10.00 H new ATOM 54 N LEU A 80 -1.021 -9.126 -4.871 1.00 10.00 N ATOM 55 CA LEU A 80 -2.200 -8.310 -5.030 1.00 10.00 C ATOM 56 C LEU A 80 -3.284 -8.496 -3.964 1.00 10.00 C ATOM 57 O LEU A 80 -3.795 -7.516 -3.423 1.00 10.00 O ATOM 58 CB LEU A 80 -2.698 -8.547 -6.454 1.00 10.00 C ATOM 59 CG LEU A 80 -4.037 -7.894 -6.806 1.00 10.00 C ATOM 60 CD1 LEU A 80 -4.101 -7.717 -8.326 1.00 10.00 C ATOM 61 CD2 LEU A 80 -5.196 -8.792 -6.351 1.00 10.00 C ATOM 0 H LEU A 80 -0.733 -9.608 -5.723 1.00 10.00 H new ATOM 0 HA LEU A 80 -1.931 -7.265 -4.873 1.00 10.00 H new ATOM 0 HB2 LEU A 80 -1.942 -8.181 -7.149 1.00 10.00 H new ATOM 0 HB3 LEU A 80 -2.785 -9.622 -6.615 1.00 10.00 H new ATOM 0 HG LEU A 80 -4.121 -6.930 -6.304 1.00 10.00 H new ATOM 0 HD11 LEU A 80 -5.049 -7.253 -8.599 1.00 10.00 H new ATOM 0 HD12 LEU A 80 -3.278 -7.082 -8.653 1.00 10.00 H new ATOM 0 HD13 LEU A 80 -4.022 -8.691 -8.809 1.00 10.00 H new ATOM 0 HD21 LEU A 80 -6.144 -8.319 -6.606 1.00 10.00 H new ATOM 0 HD22 LEU A 80 -5.126 -9.758 -6.852 1.00 10.00 H new ATOM 0 HD23 LEU A 80 -5.141 -8.938 -5.272 1.00 10.00 H new ATOM 73 N GLU A 81 -3.659 -9.738 -3.677 1.00 10.00 N ATOM 74 CA GLU A 81 -4.662 -10.052 -2.670 1.00 10.00 C ATOM 75 C GLU A 81 -4.183 -9.559 -1.296 1.00 10.00 C ATOM 76 O GLU A 81 -4.903 -8.847 -0.593 1.00 10.00 O ATOM 77 CB GLU A 81 -4.921 -11.566 -2.685 1.00 10.00 C ATOM 78 CG GLU A 81 -6.260 -11.921 -2.030 1.00 10.00 C ATOM 79 CD GLU A 81 -6.393 -13.428 -1.855 1.00 10.00 C ATOM 80 OE1 GLU A 81 -6.432 -14.117 -2.898 1.00 10.00 O ATOM 81 OE2 GLU A 81 -6.438 -13.861 -0.685 1.00 10.00 O ATOM 0 H GLU A 81 -3.272 -10.560 -4.141 1.00 10.00 H new ATOM 0 HA GLU A 81 -5.602 -9.545 -2.888 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -4.913 -11.926 -3.714 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -4.113 -12.078 -2.162 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -6.337 -11.429 -1.060 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -7.080 -11.548 -2.643 1.00 10.00 H new ATOM 88 N ASP A 82 -2.938 -9.908 -0.951 1.00 10.00 N ATOM 89 CA ASP A 82 -2.268 -9.511 0.289 1.00 10.00 C ATOM 90 C ASP A 82 -2.359 -7.996 0.442 1.00 10.00 C ATOM 91 O ASP A 82 -2.737 -7.469 1.481 1.00 10.00 O ATOM 92 CB ASP A 82 -0.805 -9.987 0.258 1.00 10.00 C ATOM 93 CG ASP A 82 -0.167 -10.146 1.634 1.00 10.00 C ATOM 94 OD1 ASP A 82 -0.546 -11.136 2.293 1.00 10.00 O ATOM 95 OD2 ASP A 82 0.732 -9.342 1.978 1.00 10.00 O ATOM 0 H ASP A 82 -2.352 -10.493 -1.547 1.00 10.00 H new ATOM 0 HA ASP A 82 -2.754 -9.974 1.148 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -0.757 -10.943 -0.264 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -0.216 -9.277 -0.323 1.00 10.00 H new ATOM 100 N LEU A 83 -2.072 -7.291 -0.646 1.00 10.00 N ATOM 101 CA LEU A 83 -2.153 -5.849 -0.715 1.00 10.00 C ATOM 102 C LEU A 83 -3.576 -5.334 -0.551 1.00 10.00 C ATOM 103 O LEU A 83 -3.797 -4.417 0.224 1.00 10.00 O ATOM 104 CB LEU A 83 -1.560 -5.361 -1.995 1.00 10.00 C ATOM 105 CG LEU A 83 -0.096 -5.767 -2.093 1.00 10.00 C ATOM 106 CD1 LEU A 83 0.229 -5.351 -3.499 1.00 10.00 C ATOM 107 CD2 LEU A 83 0.849 -5.130 -1.063 1.00 10.00 C ATOM 0 H LEU A 83 -1.771 -7.722 -1.520 1.00 10.00 H new ATOM 0 HA LEU A 83 -1.579 -5.453 0.122 1.00 10.00 H new ATOM 0 HB2 LEU A 83 -2.115 -5.771 -2.839 1.00 10.00 H new ATOM 0 HB3 LEU A 83 -1.647 -4.276 -2.053 1.00 10.00 H new ATOM 0 HG LEU A 83 0.047 -6.824 -1.871 1.00 10.00 H new ATOM 0 HD11 LEU A 83 1.271 -5.586 -3.716 1.00 10.00 H new ATOM 0 HD12 LEU A 83 -0.417 -5.886 -4.195 1.00 10.00 H new ATOM 0 HD13 LEU A 83 0.069 -4.278 -3.607 1.00 10.00 H new ATOM 0 HD21 LEU A 83 1.864 -5.491 -1.228 1.00 10.00 H new ATOM 0 HD22 LEU A 83 0.828 -4.046 -1.172 1.00 10.00 H new ATOM 0 HD23 LEU A 83 0.527 -5.400 -0.057 1.00 10.00 H new ATOM 119 N GLN A 84 -4.558 -5.887 -1.263 1.00 10.00 N ATOM 120 CA GLN A 84 -5.948 -5.481 -1.086 1.00 10.00 C ATOM 121 C GLN A 84 -6.327 -5.601 0.396 1.00 10.00 C ATOM 122 O GLN A 84 -6.892 -4.673 0.973 1.00 10.00 O ATOM 123 CB GLN A 84 -6.849 -6.340 -1.989 1.00 10.00 C ATOM 124 CG GLN A 84 -8.179 -5.654 -2.339 1.00 10.00 C ATOM 125 CD GLN A 84 -8.208 -5.189 -3.795 1.00 10.00 C ATOM 126 OE1 GLN A 84 -8.783 -5.855 -4.649 1.00 10.00 O ATOM 127 NE2 GLN A 84 -7.572 -4.063 -4.106 1.00 10.00 N ATOM 0 H GLN A 84 -4.416 -6.614 -1.964 1.00 10.00 H new ATOM 0 HA GLN A 84 -6.084 -4.440 -1.379 1.00 10.00 H new ATOM 0 HB2 GLN A 84 -6.314 -6.574 -2.909 1.00 10.00 H new ATOM 0 HB3 GLN A 84 -7.055 -7.287 -1.491 1.00 10.00 H new ATOM 0 HG2 GLN A 84 -9.003 -6.345 -2.161 1.00 10.00 H new ATOM 0 HG3 GLN A 84 -8.332 -4.799 -1.681 1.00 10.00 H new ATOM 0 HE21 GLN A 84 -7.101 -3.526 -3.378 1.00 10.00 H new ATOM 0 HE22 GLN A 84 -7.556 -3.737 -5.072 1.00 10.00 H new ATOM 136 N VAL A 85 -5.958 -6.716 1.031 1.00 10.00 N ATOM 137 CA VAL A 85 -6.131 -6.946 2.440 1.00 10.00 C ATOM 138 C VAL A 85 -5.335 -5.917 3.265 1.00 10.00 C ATOM 139 O VAL A 85 -5.850 -5.437 4.274 1.00 10.00 O ATOM 140 CB VAL A 85 -5.757 -8.418 2.673 1.00 10.00 C ATOM 141 CG1 VAL A 85 -5.564 -8.709 4.146 1.00 10.00 C ATOM 142 CG2 VAL A 85 -6.837 -9.349 2.101 1.00 10.00 C ATOM 0 H VAL A 85 -5.518 -7.500 0.550 1.00 10.00 H new ATOM 0 HA VAL A 85 -7.155 -6.795 2.780 1.00 10.00 H new ATOM 0 HB VAL A 85 -4.815 -8.602 2.156 1.00 10.00 H new ATOM 0 HG11 VAL A 85 -5.300 -9.758 4.278 1.00 10.00 H new ATOM 0 HG12 VAL A 85 -4.764 -8.082 4.539 1.00 10.00 H new ATOM 0 HG13 VAL A 85 -6.489 -8.497 4.683 1.00 10.00 H new ATOM 0 HG21 VAL A 85 -6.553 -10.387 2.276 1.00 10.00 H new ATOM 0 HG22 VAL A 85 -7.789 -9.146 2.591 1.00 10.00 H new ATOM 0 HG23 VAL A 85 -6.936 -9.176 1.029 1.00 10.00 H new ATOM 152 N ALA A 86 -4.117 -5.550 2.839 1.00 10.00 N ATOM 153 CA ALA A 86 -3.327 -4.460 3.415 1.00 10.00 C ATOM 154 C ALA A 86 -4.177 -3.186 3.421 1.00 10.00 C ATOM 155 O ALA A 86 -4.656 -2.721 4.455 1.00 10.00 O ATOM 156 CB ALA A 86 -1.993 -4.264 2.635 1.00 10.00 C ATOM 0 H ALA A 86 -3.645 -6.017 2.065 1.00 10.00 H new ATOM 0 HA ALA A 86 -3.053 -4.706 4.441 1.00 10.00 H new ATOM 0 HB1 ALA A 86 -1.426 -3.448 3.084 1.00 10.00 H new ATOM 0 HB2 ALA A 86 -1.407 -5.182 2.680 1.00 10.00 H new ATOM 0 HB3 ALA A 86 -2.212 -4.024 1.594 1.00 10.00 H new ATOM 162 N PHE A 87 -4.385 -2.648 2.225 1.00 10.00 N ATOM 163 CA PHE A 87 -5.160 -1.471 1.912 1.00 10.00 C ATOM 164 C PHE A 87 -6.445 -1.381 2.712 1.00 10.00 C ATOM 165 O PHE A 87 -6.702 -0.333 3.292 1.00 10.00 O ATOM 166 CB PHE A 87 -5.451 -1.508 0.415 1.00 10.00 C ATOM 167 CG PHE A 87 -4.230 -1.314 -0.461 1.00 10.00 C ATOM 168 CD1 PHE A 87 -3.252 -0.368 -0.116 1.00 10.00 C ATOM 169 CD2 PHE A 87 -4.044 -2.086 -1.624 1.00 10.00 C ATOM 170 CE1 PHE A 87 -1.994 -0.440 -0.721 1.00 10.00 C ATOM 171 CE2 PHE A 87 -2.773 -2.145 -2.213 1.00 10.00 C ATOM 172 CZ PHE A 87 -1.699 -1.501 -1.580 1.00 10.00 C ATOM 0 H PHE A 87 -3.979 -3.064 1.387 1.00 10.00 H new ATOM 0 HA PHE A 87 -4.589 -0.583 2.182 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -5.912 -2.465 0.170 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -6.180 -0.733 0.179 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -3.469 0.405 0.607 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -4.872 -2.627 -2.058 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -1.253 0.321 -0.525 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -2.623 -2.678 -3.140 1.00 10.00 H new ATOM 0 HZ PHE A 87 -0.680 -1.815 -1.751 1.00 10.00 H new ATOM 182 N ARG A 88 -7.218 -2.469 2.772 1.00 10.00 N ATOM 183 CA ARG A 88 -8.467 -2.558 3.522 1.00 10.00 C ATOM 184 C ARG A 88 -8.382 -1.879 4.899 1.00 10.00 C ATOM 185 O ARG A 88 -9.375 -1.334 5.374 1.00 10.00 O ATOM 186 CB ARG A 88 -8.852 -4.042 3.637 1.00 10.00 C ATOM 187 CG ARG A 88 -10.320 -4.322 3.985 1.00 10.00 C ATOM 188 CD ARG A 88 -10.669 -4.081 5.462 1.00 10.00 C ATOM 189 NE ARG A 88 -11.484 -5.179 6.009 1.00 10.00 N ATOM 190 CZ ARG A 88 -10.999 -6.373 6.393 1.00 10.00 C ATOM 191 NH1 ARG A 88 -9.689 -6.625 6.282 1.00 10.00 N ATOM 192 NH2 ARG A 88 -11.823 -7.308 6.878 1.00 10.00 N ATOM 0 H ARG A 88 -6.983 -3.334 2.286 1.00 10.00 H new ATOM 0 HA ARG A 88 -9.244 -2.014 2.985 1.00 10.00 H new ATOM 0 HB2 ARG A 88 -8.622 -4.533 2.691 1.00 10.00 H new ATOM 0 HB3 ARG A 88 -8.223 -4.504 4.398 1.00 10.00 H new ATOM 0 HG2 ARG A 88 -10.957 -3.691 3.364 1.00 10.00 H new ATOM 0 HG3 ARG A 88 -10.552 -5.356 3.732 1.00 10.00 H new ATOM 0 HD2 ARG A 88 -9.752 -3.983 6.043 1.00 10.00 H new ATOM 0 HD3 ARG A 88 -11.211 -3.140 5.560 1.00 10.00 H new ATOM 0 HE ARG A 88 -12.488 -5.023 6.103 1.00 10.00 H new ATOM 0 HH11 ARG A 88 -9.063 -5.913 5.907 1.00 10.00 H new ATOM 0 HH12 ARG A 88 -9.317 -7.529 6.572 1.00 10.00 H new ATOM 0 HH21 ARG A 88 -12.822 -7.116 6.957 1.00 10.00 H new ATOM 0 HH22 ARG A 88 -11.453 -8.213 7.169 1.00 10.00 H new ATOM 206 N ALA A 89 -7.214 -1.921 5.552 1.00 10.00 N ATOM 207 CA ALA A 89 -6.968 -1.193 6.790 1.00 10.00 C ATOM 208 C ALA A 89 -7.269 0.311 6.648 1.00 10.00 C ATOM 209 O ALA A 89 -8.012 0.864 7.457 1.00 10.00 O ATOM 210 CB ALA A 89 -5.524 -1.447 7.230 1.00 10.00 C ATOM 0 H ALA A 89 -6.414 -2.465 5.230 1.00 10.00 H new ATOM 0 HA ALA A 89 -7.649 -1.558 7.559 1.00 10.00 H new ATOM 0 HB1 ALA A 89 -5.326 -0.908 8.156 1.00 10.00 H new ATOM 0 HB2 ALA A 89 -5.376 -2.515 7.393 1.00 10.00 H new ATOM 0 HB3 ALA A 89 -4.841 -1.100 6.455 1.00 10.00 H new ATOM 216 N PHE A 90 -6.686 0.971 5.640 1.00 10.00 N ATOM 217 CA PHE A 90 -6.817 2.396 5.358 1.00 10.00 C ATOM 218 C PHE A 90 -7.156 2.611 3.875 1.00 10.00 C ATOM 219 O PHE A 90 -6.327 3.108 3.114 1.00 10.00 O ATOM 220 CB PHE A 90 -5.504 3.077 5.730 1.00 10.00 C ATOM 221 CG PHE A 90 -4.985 2.714 7.112 1.00 10.00 C ATOM 222 CD1 PHE A 90 -5.422 3.419 8.246 1.00 10.00 C ATOM 223 CD2 PHE A 90 -4.070 1.655 7.258 1.00 10.00 C ATOM 224 CE1 PHE A 90 -4.979 3.037 9.525 1.00 10.00 C ATOM 225 CE2 PHE A 90 -3.621 1.278 8.532 1.00 10.00 C ATOM 226 CZ PHE A 90 -4.086 1.959 9.671 1.00 10.00 C ATOM 0 H PHE A 90 -6.081 0.498 4.969 1.00 10.00 H new ATOM 0 HA PHE A 90 -7.627 2.830 5.944 1.00 10.00 H new ATOM 0 HB2 PHE A 90 -4.749 2.814 4.990 1.00 10.00 H new ATOM 0 HB3 PHE A 90 -5.640 4.157 5.677 1.00 10.00 H new ATOM 0 HD1 PHE A 90 -6.098 4.254 8.136 1.00 10.00 H new ATOM 0 HD2 PHE A 90 -3.712 1.130 6.385 1.00 10.00 H new ATOM 0 HE1 PHE A 90 -5.325 3.572 10.397 1.00 10.00 H new ATOM 0 HE2 PHE A 90 -2.918 0.465 8.638 1.00 10.00 H new ATOM 0 HZ PHE A 90 -3.759 1.656 10.655 1.00 10.00 H new ATOM 236 N ASP A 91 -8.370 2.235 3.467 1.00 10.00 N ATOM 237 CA ASP A 91 -8.886 2.412 2.109 1.00 10.00 C ATOM 238 C ASP A 91 -10.377 2.751 2.180 1.00 10.00 C ATOM 239 O ASP A 91 -10.993 2.592 3.234 1.00 10.00 O ATOM 240 CB ASP A 91 -8.654 1.127 1.299 1.00 10.00 C ATOM 241 CG ASP A 91 -9.291 1.165 -0.085 1.00 10.00 C ATOM 242 OD1 ASP A 91 -9.242 2.243 -0.725 1.00 10.00 O ATOM 243 OD2 ASP A 91 -9.880 0.131 -0.449 1.00 10.00 O ATOM 0 H ASP A 91 -9.040 1.786 4.091 1.00 10.00 H new ATOM 0 HA ASP A 91 -8.363 3.229 1.612 1.00 10.00 H new ATOM 0 HB2 ASP A 91 -7.582 0.960 1.194 1.00 10.00 H new ATOM 0 HB3 ASP A 91 -9.055 0.279 1.853 1.00 10.00 H new ATOM 296 N GLY A 96 -10.276 6.705 -2.393 1.00 10.00 N ATOM 297 CA GLY A 96 -9.812 6.378 -1.060 1.00 10.00 C ATOM 298 C GLY A 96 -8.416 6.969 -0.937 1.00 10.00 C ATOM 299 O GLY A 96 -8.200 7.903 -0.171 1.00 10.00 O ATOM 0 HA2 GLY A 96 -10.478 6.793 -0.304 1.00 10.00 H new ATOM 0 HA3 GLY A 96 -9.792 5.299 -0.909 1.00 10.00 H new ATOM 303 N HIS A 97 -7.511 6.457 -1.781 1.00 10.00 N ATOM 304 CA HIS A 97 -6.208 7.034 -2.090 1.00 10.00 C ATOM 305 C HIS A 97 -5.299 7.070 -0.850 1.00 10.00 C ATOM 306 O HIS A 97 -5.353 8.007 -0.056 1.00 10.00 O ATOM 307 CB HIS A 97 -6.403 8.413 -2.747 1.00 10.00 C ATOM 308 CG HIS A 97 -5.276 8.845 -3.647 1.00 10.00 C ATOM 309 ND1 HIS A 97 -5.408 9.373 -4.913 1.00 10.00 N ATOM 310 CD2 HIS A 97 -3.943 8.808 -3.354 1.00 10.00 C ATOM 311 CE1 HIS A 97 -4.172 9.639 -5.372 1.00 10.00 C ATOM 312 NE2 HIS A 97 -3.246 9.303 -4.461 1.00 10.00 N ATOM 0 H HIS A 97 -7.681 5.588 -2.288 1.00 10.00 H new ATOM 0 HA HIS A 97 -5.688 6.399 -2.807 1.00 10.00 H new ATOM 0 HB2 HIS A 97 -7.327 8.398 -3.326 1.00 10.00 H new ATOM 0 HB3 HIS A 97 -6.530 9.159 -1.963 1.00 10.00 H new ATOM 0 HD1 HIS A 97 -6.284 9.533 -5.411 1.00 10.00 H new ATOM 0 HD2 HIS A 97 -3.504 8.458 -2.431 1.00 10.00 H new ATOM 0 HE1 HIS A 97 -3.955 10.065 -6.341 1.00 10.00 H new ATOM 320 N ILE A 98 -4.459 6.049 -0.667 1.00 10.00 N ATOM 321 CA ILE A 98 -3.807 5.823 0.619 1.00 10.00 C ATOM 322 C ILE A 98 -2.596 6.731 0.795 1.00 10.00 C ATOM 323 O ILE A 98 -1.999 7.171 -0.189 1.00 10.00 O ATOM 324 CB ILE A 98 -3.467 4.330 0.870 1.00 10.00 C ATOM 325 CG1 ILE A 98 -2.056 3.808 0.520 1.00 10.00 C ATOM 326 CG2 ILE A 98 -4.486 3.411 0.207 1.00 10.00 C ATOM 327 CD1 ILE A 98 -1.908 3.269 -0.903 1.00 10.00 C ATOM 0 H ILE A 98 -4.217 5.371 -1.390 1.00 10.00 H new ATOM 0 HA ILE A 98 -4.530 6.093 1.389 1.00 10.00 H new ATOM 0 HB ILE A 98 -3.501 4.302 1.959 1.00 10.00 H new ATOM 0 HG12 ILE A 98 -1.339 4.616 0.664 1.00 10.00 H new ATOM 0 HG13 ILE A 98 -1.791 3.018 1.222 1.00 10.00 H new ATOM 0 HG21 ILE A 98 -4.220 2.372 0.401 1.00 10.00 H new ATOM 0 HG22 ILE A 98 -5.477 3.614 0.613 1.00 10.00 H new ATOM 0 HG23 ILE A 98 -4.491 3.589 -0.868 1.00 10.00 H new ATOM 0 HD11 ILE A 98 -0.885 2.925 -1.057 1.00 10.00 H new ATOM 0 HD12 ILE A 98 -2.597 2.437 -1.050 1.00 10.00 H new ATOM 0 HD13 ILE A 98 -2.137 4.060 -1.617 1.00 10.00 H new ATOM 339 N THR A 99 -2.190 6.932 2.051 1.00 10.00 N ATOM 340 CA THR A 99 -0.811 7.275 2.374 1.00 10.00 C ATOM 341 C THR A 99 0.005 5.994 2.479 1.00 10.00 C ATOM 342 O THR A 99 -0.398 5.009 3.103 1.00 10.00 O ATOM 343 CB THR A 99 -0.650 8.220 3.560 1.00 10.00 C ATOM 344 OG1 THR A 99 0.656 8.112 4.092 1.00 10.00 O ATOM 345 CG2 THR A 99 -1.676 7.847 4.592 1.00 10.00 C ATOM 0 H THR A 99 -2.804 6.862 2.862 1.00 10.00 H new ATOM 0 HA THR A 99 -0.412 7.874 1.555 1.00 10.00 H new ATOM 0 HB THR A 99 -0.798 9.254 3.248 1.00 10.00 H new ATOM 0 HG1 THR A 99 0.804 8.829 4.743 1.00 10.00 H new ATOM 0 HG21 THR A 99 -1.583 8.509 5.453 1.00 10.00 H new ATOM 0 HG22 THR A 99 -2.674 7.945 4.165 1.00 10.00 H new ATOM 0 HG23 THR A 99 -1.516 6.816 4.908 1.00 10.00 H new ATOM 353 N VAL A 100 1.185 6.014 1.867 1.00 10.00 N ATOM 354 CA VAL A 100 2.140 4.928 1.990 1.00 10.00 C ATOM 355 C VAL A 100 2.429 4.577 3.461 1.00 10.00 C ATOM 356 O VAL A 100 2.764 3.441 3.802 1.00 10.00 O ATOM 357 CB VAL A 100 3.365 5.275 1.159 1.00 10.00 C ATOM 358 CG1 VAL A 100 4.362 6.064 1.982 1.00 10.00 C ATOM 359 CG2 VAL A 100 3.982 4.012 0.554 1.00 10.00 C ATOM 0 H VAL A 100 1.501 6.782 1.275 1.00 10.00 H new ATOM 0 HA VAL A 100 1.725 4.003 1.589 1.00 10.00 H new ATOM 0 HB VAL A 100 3.059 5.912 0.329 1.00 10.00 H new ATOM 0 HG11 VAL A 100 5.231 6.303 1.370 1.00 10.00 H new ATOM 0 HG12 VAL A 100 3.898 6.987 2.329 1.00 10.00 H new ATOM 0 HG13 VAL A 100 4.675 5.471 2.841 1.00 10.00 H new ATOM 0 HG21 VAL A 100 4.857 4.282 -0.037 1.00 10.00 H new ATOM 0 HG22 VAL A 100 4.279 3.333 1.354 1.00 10.00 H new ATOM 0 HG23 VAL A 100 3.250 3.520 -0.086 1.00 10.00 H new ATOM 369 N ASP A 101 2.287 5.571 4.341 1.00 10.00 N ATOM 370 CA ASP A 101 2.502 5.370 5.777 1.00 10.00 C ATOM 371 C ASP A 101 1.444 4.418 6.359 1.00 10.00 C ATOM 372 O ASP A 101 1.771 3.435 7.029 1.00 10.00 O ATOM 373 CB ASP A 101 2.546 6.721 6.521 1.00 10.00 C ATOM 374 CG ASP A 101 3.912 7.153 7.052 1.00 10.00 C ATOM 375 OD1 ASP A 101 4.860 6.335 7.026 1.00 10.00 O ATOM 376 OD2 ASP A 101 3.996 8.318 7.485 1.00 10.00 O ATOM 0 H ASP A 101 2.024 6.523 4.085 1.00 10.00 H new ATOM 0 HA ASP A 101 3.473 4.896 5.920 1.00 10.00 H new ATOM 0 HB2 ASP A 101 2.179 7.496 5.847 1.00 10.00 H new ATOM 0 HB3 ASP A 101 1.852 6.673 7.360 1.00 10.00 H new ATOM 381 N GLU A 102 0.168 4.682 6.067 1.00 10.00 N ATOM 382 CA GLU A 102 -0.939 3.779 6.368 1.00 10.00 C ATOM 383 C GLU A 102 -0.683 2.391 5.803 1.00 10.00 C ATOM 384 O GLU A 102 -0.916 1.400 6.486 1.00 10.00 O ATOM 385 CB GLU A 102 -2.229 4.360 5.819 1.00 10.00 C ATOM 386 CG GLU A 102 -2.729 5.486 6.731 1.00 10.00 C ATOM 387 CD GLU A 102 -3.987 6.138 6.173 1.00 10.00 C ATOM 388 OE1 GLU A 102 -4.109 6.167 4.926 1.00 10.00 O ATOM 389 OE2 GLU A 102 -4.812 6.577 7.001 1.00 10.00 O ATOM 0 H GLU A 102 -0.127 5.544 5.608 1.00 10.00 H new ATOM 0 HA GLU A 102 -1.027 3.677 7.450 1.00 10.00 H new ATOM 0 HB2 GLU A 102 -2.065 4.743 4.812 1.00 10.00 H new ATOM 0 HB3 GLU A 102 -2.986 3.579 5.744 1.00 10.00 H new ATOM 0 HG2 GLU A 102 -2.934 5.087 7.724 1.00 10.00 H new ATOM 0 HG3 GLU A 102 -1.948 6.238 6.845 1.00 10.00 H new ATOM 396 N LEU A 103 -0.173 2.310 4.576 1.00 10.00 N ATOM 397 CA LEU A 103 0.259 1.041 4.003 1.00 10.00 C ATOM 398 C LEU A 103 1.204 0.311 4.970 1.00 10.00 C ATOM 399 O LEU A 103 1.007 -0.861 5.290 1.00 10.00 O ATOM 400 CB LEU A 103 0.943 1.310 2.658 1.00 10.00 C ATOM 401 CG LEU A 103 0.333 0.573 1.467 1.00 10.00 C ATOM 402 CD1 LEU A 103 1.172 0.972 0.240 1.00 10.00 C ATOM 403 CD2 LEU A 103 0.387 -0.951 1.629 1.00 10.00 C ATOM 0 H LEU A 103 -0.049 3.113 3.959 1.00 10.00 H new ATOM 0 HA LEU A 103 -0.605 0.396 3.839 1.00 10.00 H new ATOM 0 HB2 LEU A 103 0.911 2.381 2.459 1.00 10.00 H new ATOM 0 HB3 LEU A 103 1.994 1.032 2.739 1.00 10.00 H new ATOM 0 HG LEU A 103 -0.719 0.844 1.373 1.00 10.00 H new ATOM 0 HD11 LEU A 103 0.781 0.473 -0.646 1.00 10.00 H new ATOM 0 HD12 LEU A 103 1.122 2.052 0.100 1.00 10.00 H new ATOM 0 HD13 LEU A 103 2.209 0.674 0.396 1.00 10.00 H new ATOM 0 HD21 LEU A 103 -0.059 -1.426 0.755 1.00 10.00 H new ATOM 0 HD22 LEU A 103 1.425 -1.270 1.725 1.00 10.00 H new ATOM 0 HD23 LEU A 103 -0.166 -1.242 2.522 1.00 10.00 H new ATOM 415 N ARG A 104 2.227 1.011 5.468 1.00 10.00 N ATOM 416 CA ARG A 104 3.169 0.435 6.423 1.00 10.00 C ATOM 417 C ARG A 104 2.468 -0.051 7.685 1.00 10.00 C ATOM 418 O ARG A 104 2.741 -1.156 8.151 1.00 10.00 O ATOM 419 CB ARG A 104 4.302 1.416 6.730 1.00 10.00 C ATOM 420 CG ARG A 104 5.562 0.664 7.208 1.00 10.00 C ATOM 421 CD ARG A 104 6.802 1.558 7.376 1.00 10.00 C ATOM 422 NE ARG A 104 6.873 2.604 6.338 1.00 10.00 N ATOM 423 CZ ARG A 104 6.478 3.873 6.531 1.00 10.00 C ATOM 424 NH1 ARG A 104 6.438 4.416 7.750 1.00 10.00 N ATOM 425 NH2 ARG A 104 6.065 4.614 5.505 1.00 10.00 N ATOM 0 H ARG A 104 2.422 1.982 5.222 1.00 10.00 H new ATOM 0 HA ARG A 104 3.617 -0.445 5.962 1.00 10.00 H new ATOM 0 HB2 ARG A 104 4.536 1.998 5.839 1.00 10.00 H new ATOM 0 HB3 ARG A 104 3.981 2.121 7.497 1.00 10.00 H new ATOM 0 HG2 ARG A 104 5.344 0.181 8.161 1.00 10.00 H new ATOM 0 HG3 ARG A 104 5.792 -0.127 6.495 1.00 10.00 H new ATOM 0 HD2 ARG A 104 6.782 2.025 8.361 1.00 10.00 H new ATOM 0 HD3 ARG A 104 7.701 0.943 7.333 1.00 10.00 H new ATOM 0 HE ARG A 104 7.243 2.349 5.422 1.00 10.00 H new ATOM 0 HH11 ARG A 104 6.712 3.864 8.563 1.00 10.00 H new ATOM 0 HH12 ARG A 104 6.134 5.382 7.868 1.00 10.00 H new ATOM 0 HH21 ARG A 104 6.047 4.219 4.565 1.00 10.00 H new ATOM 0 HH22 ARG A 104 5.766 5.577 5.659 1.00 10.00 H new ATOM 439 N ARG A 105 1.553 0.753 8.231 1.00 10.00 N ATOM 440 CA ARG A 105 0.752 0.294 9.355 1.00 10.00 C ATOM 441 C ARG A 105 -0.024 -0.974 8.987 1.00 10.00 C ATOM 442 O ARG A 105 -0.022 -1.935 9.751 1.00 10.00 O ATOM 443 CB ARG A 105 -0.171 1.393 9.890 1.00 10.00 C ATOM 444 CG ARG A 105 0.635 2.568 10.460 1.00 10.00 C ATOM 445 CD ARG A 105 -0.200 3.345 11.484 1.00 10.00 C ATOM 446 NE ARG A 105 -0.367 2.571 12.728 1.00 10.00 N ATOM 447 CZ ARG A 105 -1.189 2.890 13.741 1.00 10.00 C ATOM 448 NH1 ARG A 105 -1.975 3.969 13.645 1.00 10.00 N ATOM 449 NH2 ARG A 105 -1.221 2.132 14.842 1.00 10.00 N ATOM 0 H ARG A 105 1.355 1.703 7.918 1.00 10.00 H new ATOM 0 HA ARG A 105 1.435 0.043 10.167 1.00 10.00 H new ATOM 0 HB2 ARG A 105 -0.819 1.748 9.089 1.00 10.00 H new ATOM 0 HB3 ARG A 105 -0.818 0.982 10.665 1.00 10.00 H new ATOM 0 HG2 ARG A 105 1.546 2.198 10.931 1.00 10.00 H new ATOM 0 HG3 ARG A 105 0.941 3.233 9.652 1.00 10.00 H new ATOM 0 HD2 ARG A 105 0.284 4.296 11.706 1.00 10.00 H new ATOM 0 HD3 ARG A 105 -1.178 3.575 11.061 1.00 10.00 H new ATOM 0 HE ARG A 105 0.189 1.722 12.828 1.00 10.00 H new ATOM 0 HH11 ARG A 105 -1.949 4.546 12.804 1.00 10.00 H new ATOM 0 HH12 ARG A 105 -2.601 4.214 14.412 1.00 10.00 H new ATOM 0 HH21 ARG A 105 -0.621 1.310 14.913 1.00 10.00 H new ATOM 0 HH22 ARG A 105 -1.846 2.375 15.611 1.00 10.00 H new ATOM 463 N ALA A 106 -0.665 -1.001 7.818 1.00 10.00 N ATOM 464 CA ALA A 106 -1.446 -2.139 7.363 1.00 10.00 C ATOM 465 C ALA A 106 -0.624 -3.422 7.392 1.00 10.00 C ATOM 466 O ALA A 106 -1.103 -4.452 7.861 1.00 10.00 O ATOM 467 CB ALA A 106 -1.968 -1.894 5.953 1.00 10.00 C ATOM 0 H ALA A 106 -0.653 -0.223 7.158 1.00 10.00 H new ATOM 0 HA ALA A 106 -2.289 -2.256 8.044 1.00 10.00 H new ATOM 0 HB1 ALA A 106 -2.551 -2.755 5.626 1.00 10.00 H new ATOM 0 HB2 ALA A 106 -2.599 -1.005 5.948 1.00 10.00 H new ATOM 0 HB3 ALA A 106 -1.128 -1.746 5.275 1.00 10.00 H new ATOM 473 N MET A 107 0.622 -3.358 6.912 1.00 10.00 N ATOM 474 CA MET A 107 1.507 -4.517 6.924 1.00 10.00 C ATOM 475 C MET A 107 1.656 -5.141 8.317 1.00 10.00 C ATOM 476 O MET A 107 1.852 -6.352 8.424 1.00 10.00 O ATOM 477 CB MET A 107 2.870 -4.186 6.315 1.00 10.00 C ATOM 478 CG MET A 107 2.742 -3.500 4.951 1.00 10.00 C ATOM 479 SD MET A 107 3.905 -4.074 3.693 1.00 10.00 S ATOM 480 CE MET A 107 2.935 -5.410 3.005 1.00 10.00 C ATOM 0 H MET A 107 1.036 -2.516 6.512 1.00 10.00 H new ATOM 0 HA MET A 107 1.031 -5.271 6.298 1.00 10.00 H new ATOM 0 HB2 MET A 107 3.423 -3.538 6.995 1.00 10.00 H new ATOM 0 HB3 MET A 107 3.450 -5.103 6.206 1.00 10.00 H new ATOM 0 HG2 MET A 107 1.728 -3.648 4.581 1.00 10.00 H new ATOM 0 HG3 MET A 107 2.878 -2.427 5.087 1.00 10.00 H new ATOM 0 HE1 MET A 107 3.488 -5.880 2.191 1.00 10.00 H new ATOM 0 HE2 MET A 107 2.732 -6.149 3.780 1.00 10.00 H new ATOM 0 HE3 MET A 107 1.993 -5.017 2.624 1.00 10.00 H new ATOM 490 N ALA A 108 1.512 -4.349 9.389 1.00 10.00 N ATOM 491 CA ALA A 108 1.488 -4.885 10.745 1.00 10.00 C ATOM 492 C ALA A 108 0.431 -5.982 10.895 1.00 10.00 C ATOM 493 O ALA A 108 0.651 -6.970 11.591 1.00 10.00 O ATOM 494 CB ALA A 108 1.270 -3.769 11.769 1.00 10.00 C ATOM 0 H ALA A 108 1.411 -3.335 9.337 1.00 10.00 H new ATOM 0 HA ALA A 108 2.460 -5.338 10.939 1.00 10.00 H new ATOM 0 HB1 ALA A 108 1.256 -4.194 12.773 1.00 10.00 H new ATOM 0 HB2 ALA A 108 2.079 -3.043 11.694 1.00 10.00 H new ATOM 0 HB3 ALA A 108 0.319 -3.274 11.571 1.00 10.00 H new ATOM 500 N GLY A 109 -0.712 -5.805 10.229 1.00 10.00 N ATOM 501 CA GLY A 109 -1.802 -6.761 10.216 1.00 10.00 C ATOM 502 C GLY A 109 -1.446 -8.043 9.464 1.00 10.00 C ATOM 503 O GLY A 109 -1.924 -9.116 9.818 1.00 10.00 O ATOM 0 H GLY A 109 -0.902 -4.971 9.673 1.00 10.00 H new ATOM 0 HA2 GLY A 109 -2.076 -7.009 11.241 1.00 10.00 H new ATOM 0 HA3 GLY A 109 -2.677 -6.304 9.754 1.00 10.00 H new ATOM 507 N LEU A 110 -0.654 -7.932 8.393 1.00 10.00 N ATOM 508 CA LEU A 110 -0.471 -9.024 7.446 1.00 10.00 C ATOM 509 C LEU A 110 0.336 -10.183 8.028 1.00 10.00 C ATOM 510 O LEU A 110 -0.053 -11.338 7.871 1.00 10.00 O ATOM 511 CB LEU A 110 0.161 -8.500 6.150 1.00 10.00 C ATOM 512 CG LEU A 110 -0.858 -7.826 5.218 1.00 10.00 C ATOM 513 CD1 LEU A 110 -0.102 -7.107 4.096 1.00 10.00 C ATOM 514 CD2 LEU A 110 -1.797 -8.877 4.609 1.00 10.00 C ATOM 0 H LEU A 110 -0.128 -7.089 8.164 1.00 10.00 H new ATOM 0 HA LEU A 110 -1.458 -9.427 7.220 1.00 10.00 H new ATOM 0 HB2 LEU A 110 0.947 -7.786 6.398 1.00 10.00 H new ATOM 0 HB3 LEU A 110 0.636 -9.327 5.623 1.00 10.00 H new ATOM 0 HG LEU A 110 -1.453 -7.112 5.788 1.00 10.00 H new ATOM 0 HD11 LEU A 110 -0.815 -6.625 3.428 1.00 10.00 H new ATOM 0 HD12 LEU A 110 0.558 -6.354 4.527 1.00 10.00 H new ATOM 0 HD13 LEU A 110 0.490 -7.830 3.534 1.00 10.00 H new ATOM 0 HD21 LEU A 110 -2.514 -8.386 3.951 1.00 10.00 H new ATOM 0 HD22 LEU A 110 -1.214 -9.598 4.037 1.00 10.00 H new ATOM 0 HD23 LEU A 110 -2.331 -9.394 5.407 1.00 10.00 H new ATOM 526 N GLY A 111 1.461 -9.893 8.685 1.00 10.00 N ATOM 527 CA GLY A 111 2.344 -10.915 9.221 1.00 10.00 C ATOM 528 C GLY A 111 3.813 -10.550 9.048 1.00 10.00 C ATOM 529 O GLY A 111 4.658 -11.020 9.808 1.00 10.00 O ATOM 0 H GLY A 111 1.780 -8.940 8.857 1.00 10.00 H new ATOM 0 HA2 GLY A 111 2.129 -11.060 10.280 1.00 10.00 H new ATOM 0 HA3 GLY A 111 2.145 -11.864 8.722 1.00 10.00 H new ATOM 533 N GLN A 112 4.110 -9.689 8.073 1.00 10.00 N ATOM 534 CA GLN A 112 5.413 -9.092 7.839 1.00 10.00 C ATOM 535 C GLN A 112 5.387 -7.626 8.317 1.00 10.00 C ATOM 536 O GLN A 112 5.264 -6.727 7.491 1.00 10.00 O ATOM 537 CB GLN A 112 5.845 -9.342 6.367 1.00 10.00 C ATOM 538 CG GLN A 112 5.094 -8.745 5.144 1.00 10.00 C ATOM 539 CD GLN A 112 3.668 -9.218 4.842 1.00 10.00 C ATOM 540 OE1 GLN A 112 3.037 -9.903 5.640 1.00 10.00 O ATOM 541 NE2 GLN A 112 3.164 -8.845 3.664 1.00 10.00 N ATOM 0 H GLN A 112 3.412 -9.379 7.397 1.00 10.00 H new ATOM 0 HA GLN A 112 6.201 -9.561 8.428 1.00 10.00 H new ATOM 0 HB2 GLN A 112 6.879 -9.005 6.288 1.00 10.00 H new ATOM 0 HB3 GLN A 112 5.851 -10.423 6.227 1.00 10.00 H new ATOM 0 HG2 GLN A 112 5.061 -7.663 5.275 1.00 10.00 H new ATOM 0 HG3 GLN A 112 5.699 -8.941 4.259 1.00 10.00 H new ATOM 0 HE21 GLN A 112 3.722 -8.275 3.028 1.00 10.00 H new ATOM 0 HE22 GLN A 112 2.221 -9.130 3.399 1.00 10.00 H new ATOM 550 N PRO A 113 5.448 -7.354 9.640 1.00 10.00 N ATOM 551 CA PRO A 113 5.212 -6.025 10.197 1.00 10.00 C ATOM 552 C PRO A 113 6.409 -5.098 9.981 1.00 10.00 C ATOM 553 O PRO A 113 7.549 -5.521 10.154 1.00 10.00 O ATOM 554 CB PRO A 113 4.991 -6.250 11.700 1.00 10.00 C ATOM 555 CG PRO A 113 5.859 -7.470 11.989 1.00 10.00 C ATOM 556 CD PRO A 113 5.626 -8.304 10.730 1.00 10.00 C ATOM 0 HA PRO A 113 4.361 -5.546 9.712 1.00 10.00 H new ATOM 0 HB2 PRO A 113 5.299 -5.386 12.288 1.00 10.00 H new ATOM 0 HB3 PRO A 113 3.942 -6.436 11.932 1.00 10.00 H new ATOM 0 HG2 PRO A 113 6.909 -7.207 12.120 1.00 10.00 H new ATOM 0 HG3 PRO A 113 5.546 -7.993 12.893 1.00 10.00 H new ATOM 0 HD2 PRO A 113 6.473 -8.963 10.538 1.00 10.00 H new ATOM 0 HD3 PRO A 113 4.747 -8.939 10.841 1.00 10.00 H new ATOM 564 N LEU A 114 6.146 -3.826 9.638 1.00 10.00 N ATOM 565 CA LEU A 114 7.169 -2.812 9.390 1.00 10.00 C ATOM 566 C LEU A 114 8.352 -3.386 8.605 1.00 10.00 C ATOM 567 O LEU A 114 9.505 -3.303 9.028 1.00 10.00 O ATOM 568 CB LEU A 114 7.550 -2.126 10.713 1.00 10.00 C ATOM 569 CG LEU A 114 6.702 -0.863 10.931 1.00 10.00 C ATOM 570 CD1 LEU A 114 5.193 -1.138 10.816 1.00 10.00 C ATOM 571 CD2 LEU A 114 7.045 -0.268 12.300 1.00 10.00 C ATOM 0 H LEU A 114 5.196 -3.473 9.525 1.00 10.00 H new ATOM 0 HA LEU A 114 6.768 -2.032 8.742 1.00 10.00 H new ATOM 0 HB2 LEU A 114 7.403 -2.817 11.543 1.00 10.00 H new ATOM 0 HB3 LEU A 114 8.608 -1.863 10.701 1.00 10.00 H new ATOM 0 HG LEU A 114 6.941 -0.150 10.142 1.00 10.00 H new ATOM 0 HD11 LEU A 114 4.641 -0.212 10.979 1.00 10.00 H new ATOM 0 HD12 LEU A 114 4.968 -1.525 9.822 1.00 10.00 H new ATOM 0 HD13 LEU A 114 4.899 -1.872 11.566 1.00 10.00 H new ATOM 0 HD21 LEU A 114 6.449 0.629 12.466 1.00 10.00 H new ATOM 0 HD22 LEU A 114 6.826 -0.998 13.079 1.00 10.00 H new ATOM 0 HD23 LEU A 114 8.104 -0.011 12.330 1.00 10.00 H new ATOM 583 N PRO A 115 8.076 -3.945 7.421 1.00 10.00 N ATOM 584 CA PRO A 115 9.100 -4.569 6.625 1.00 10.00 C ATOM 585 C PRO A 115 9.827 -3.453 5.898 1.00 10.00 C ATOM 586 O PRO A 115 9.463 -3.124 4.777 1.00 10.00 O ATOM 587 CB PRO A 115 8.324 -5.480 5.680 1.00 10.00 C ATOM 588 CG PRO A 115 7.018 -4.721 5.421 1.00 10.00 C ATOM 589 CD PRO A 115 6.798 -3.938 6.715 1.00 10.00 C ATOM 0 HA PRO A 115 9.846 -5.144 7.174 1.00 10.00 H new ATOM 0 HB2 PRO A 115 8.873 -5.656 4.755 1.00 10.00 H new ATOM 0 HB3 PRO A 115 8.136 -6.455 6.130 1.00 10.00 H new ATOM 0 HG2 PRO A 115 7.103 -4.058 4.560 1.00 10.00 H new ATOM 0 HG3 PRO A 115 6.191 -5.402 5.218 1.00 10.00 H new ATOM 0 HD2 PRO A 115 6.477 -2.918 6.503 1.00 10.00 H new ATOM 0 HD3 PRO A 115 6.017 -4.399 7.320 1.00 10.00 H new ATOM 597 N GLN A 116 10.816 -2.831 6.544 1.00 10.00 N ATOM 598 CA GLN A 116 11.456 -1.633 6.012 1.00 10.00 C ATOM 599 C GLN A 116 11.794 -1.770 4.520 1.00 10.00 C ATOM 600 O GLN A 116 11.487 -0.869 3.753 1.00 10.00 O ATOM 601 CB GLN A 116 12.672 -1.223 6.863 1.00 10.00 C ATOM 602 CG GLN A 116 12.491 0.134 7.565 1.00 10.00 C ATOM 603 CD GLN A 116 11.665 0.078 8.851 1.00 10.00 C ATOM 604 OE1 GLN A 116 12.046 0.659 9.861 1.00 10.00 O ATOM 605 NE2 GLN A 116 10.528 -0.608 8.847 1.00 10.00 N ATOM 0 H GLN A 116 11.190 -3.142 7.441 1.00 10.00 H new ATOM 0 HA GLN A 116 10.734 -0.819 6.080 1.00 10.00 H new ATOM 0 HB2 GLN A 116 12.857 -1.991 7.614 1.00 10.00 H new ATOM 0 HB3 GLN A 116 13.555 -1.180 6.226 1.00 10.00 H new ATOM 0 HG2 GLN A 116 13.474 0.542 7.797 1.00 10.00 H new ATOM 0 HG3 GLN A 116 12.014 0.827 6.872 1.00 10.00 H new ATOM 0 HE21 GLN A 116 10.224 -1.086 7.999 1.00 10.00 H new ATOM 0 HE22 GLN A 116 9.959 -0.657 9.692 1.00 10.00 H new ATOM 614 N GLU A 117 12.350 -2.912 4.108 1.00 10.00 N ATOM 615 CA GLU A 117 12.618 -3.265 2.714 1.00 10.00 C ATOM 616 C GLU A 117 11.357 -3.356 1.880 1.00 10.00 C ATOM 617 O GLU A 117 11.271 -2.768 0.806 1.00 10.00 O ATOM 618 CB GLU A 117 13.314 -4.628 2.705 1.00 10.00 C ATOM 619 CG GLU A 117 14.746 -4.429 3.180 1.00 10.00 C ATOM 620 CD GLU A 117 15.406 -5.737 3.597 1.00 10.00 C ATOM 621 OE1 GLU A 117 15.145 -6.749 2.913 1.00 10.00 O ATOM 622 OE2 GLU A 117 16.139 -5.700 4.608 1.00 10.00 O ATOM 0 H GLU A 117 12.636 -3.642 4.761 1.00 10.00 H new ATOM 0 HA GLU A 117 13.237 -2.482 2.276 1.00 10.00 H new ATOM 0 HB2 GLU A 117 12.790 -5.327 3.357 1.00 10.00 H new ATOM 0 HB3 GLU A 117 13.301 -5.056 1.702 1.00 10.00 H new ATOM 0 HG2 GLU A 117 15.330 -3.969 2.383 1.00 10.00 H new ATOM 0 HG3 GLU A 117 14.754 -3.737 4.022 1.00 10.00 H new ATOM 629 N GLU A 118 10.404 -4.157 2.338 1.00 10.00 N ATOM 630 CA GLU A 118 9.283 -4.523 1.502 1.00 10.00 C ATOM 631 C GLU A 118 8.429 -3.276 1.305 1.00 10.00 C ATOM 632 O GLU A 118 8.040 -2.955 0.190 1.00 10.00 O ATOM 633 CB GLU A 118 8.578 -5.743 2.109 1.00 10.00 C ATOM 634 CG GLU A 118 8.213 -6.778 1.047 1.00 10.00 C ATOM 635 CD GLU A 118 6.927 -6.414 0.317 1.00 10.00 C ATOM 636 OE1 GLU A 118 5.899 -6.308 1.022 1.00 10.00 O ATOM 637 OE2 GLU A 118 6.991 -6.253 -0.920 1.00 10.00 O ATOM 0 H GLU A 118 10.389 -4.559 3.275 1.00 10.00 H new ATOM 0 HA GLU A 118 9.572 -4.850 0.503 1.00 10.00 H new ATOM 0 HB2 GLU A 118 9.226 -6.202 2.856 1.00 10.00 H new ATOM 0 HB3 GLU A 118 7.675 -5.420 2.626 1.00 10.00 H new ATOM 0 HG2 GLU A 118 9.027 -6.862 0.327 1.00 10.00 H new ATOM 0 HG3 GLU A 118 8.100 -7.755 1.516 1.00 10.00 H new ATOM 644 N LEU A 119 8.240 -2.491 2.369 1.00 10.00 N ATOM 645 CA LEU A 119 7.657 -1.174 2.237 1.00 10.00 C ATOM 646 C LEU A 119 8.552 -0.230 1.434 1.00 10.00 C ATOM 647 O LEU A 119 8.017 0.445 0.573 1.00 10.00 O ATOM 648 CB LEU A 119 7.280 -0.572 3.593 1.00 10.00 C ATOM 649 CG LEU A 119 5.862 0.037 3.598 1.00 10.00 C ATOM 650 CD1 LEU A 119 5.450 0.898 2.403 1.00 10.00 C ATOM 651 CD2 LEU A 119 4.819 -1.066 3.677 1.00 10.00 C ATOM 0 H LEU A 119 8.485 -2.753 3.324 1.00 10.00 H new ATOM 0 HA LEU A 119 6.732 -1.299 1.674 1.00 10.00 H new ATOM 0 HB2 LEU A 119 7.342 -1.345 4.359 1.00 10.00 H new ATOM 0 HB3 LEU A 119 8.004 0.199 3.858 1.00 10.00 H new ATOM 0 HG LEU A 119 5.905 0.696 4.465 1.00 10.00 H new ATOM 0 HD11 LEU A 119 4.430 1.256 2.547 1.00 10.00 H new ATOM 0 HD12 LEU A 119 6.125 1.750 2.318 1.00 10.00 H new ATOM 0 HD13 LEU A 119 5.501 0.303 1.491 1.00 10.00 H new ATOM 0 HD21 LEU A 119 3.822 -0.625 3.680 1.00 10.00 H new ATOM 0 HD22 LEU A 119 4.921 -1.726 2.815 1.00 10.00 H new ATOM 0 HD23 LEU A 119 4.965 -1.639 4.592 1.00 10.00 H new ATOM 663 N ASP A 120 9.868 -0.134 1.671 1.00 10.00 N ATOM 664 CA ASP A 120 10.742 0.755 0.887 1.00 10.00 C ATOM 665 C ASP A 120 10.506 0.547 -0.609 1.00 10.00 C ATOM 666 O ASP A 120 10.258 1.480 -1.372 1.00 10.00 O ATOM 667 CB ASP A 120 12.225 0.550 1.206 1.00 10.00 C ATOM 668 CG ASP A 120 13.082 1.394 0.272 1.00 10.00 C ATOM 669 OD1 ASP A 120 13.242 2.594 0.583 1.00 10.00 O ATOM 670 OD2 ASP A 120 13.539 0.833 -0.747 1.00 10.00 O ATOM 0 H ASP A 120 10.352 -0.660 2.399 1.00 10.00 H new ATOM 0 HA ASP A 120 10.484 1.777 1.165 1.00 10.00 H new ATOM 0 HB2 ASP A 120 12.424 0.824 2.242 1.00 10.00 H new ATOM 0 HB3 ASP A 120 12.486 -0.503 1.100 1.00 10.00 H new ATOM 675 N ALA A 121 10.512 -0.724 -0.994 1.00 10.00 N ATOM 676 CA ALA A 121 10.250 -1.173 -2.342 1.00 10.00 C ATOM 677 C ALA A 121 8.944 -0.570 -2.898 1.00 10.00 C ATOM 678 O ALA A 121 8.894 -0.222 -4.077 1.00 10.00 O ATOM 679 CB ALA A 121 10.297 -2.704 -2.332 1.00 10.00 C ATOM 0 H ALA A 121 10.707 -1.490 -0.349 1.00 10.00 H new ATOM 0 HA ALA A 121 11.011 -0.816 -3.036 1.00 10.00 H new ATOM 0 HB1 ALA A 121 10.103 -3.081 -3.336 1.00 10.00 H new ATOM 0 HB2 ALA A 121 11.282 -3.036 -2.004 1.00 10.00 H new ATOM 0 HB3 ALA A 121 9.539 -3.087 -1.648 1.00 10.00 H new ATOM 685 N MET A 122 7.911 -0.388 -2.064 1.00 10.00 N ATOM 686 CA MET A 122 6.683 0.304 -2.406 1.00 10.00 C ATOM 687 C MET A 122 6.856 1.827 -2.356 1.00 10.00 C ATOM 688 O MET A 122 6.434 2.514 -3.282 1.00 10.00 O ATOM 689 CB MET A 122 5.599 -0.111 -1.414 1.00 10.00 C ATOM 690 CG MET A 122 5.351 -1.620 -1.365 1.00 10.00 C ATOM 691 SD MET A 122 3.913 -2.126 -0.388 1.00 10.00 S ATOM 692 CE MET A 122 4.493 -3.734 0.192 1.00 10.00 C ATOM 0 H MET A 122 7.918 -0.733 -1.104 1.00 10.00 H new ATOM 0 HA MET A 122 6.406 0.033 -3.425 1.00 10.00 H new ATOM 0 HB2 MET A 122 5.879 0.234 -0.419 1.00 10.00 H new ATOM 0 HB3 MET A 122 4.668 0.392 -1.676 1.00 10.00 H new ATOM 0 HG2 MET A 122 5.226 -1.986 -2.384 1.00 10.00 H new ATOM 0 HG3 MET A 122 6.238 -2.106 -0.958 1.00 10.00 H new ATOM 0 HE1 MET A 122 3.637 -4.370 0.417 1.00 10.00 H new ATOM 0 HE2 MET A 122 5.100 -4.203 -0.582 1.00 10.00 H new ATOM 0 HE3 MET A 122 5.093 -3.601 1.093 1.00 10.00 H new ATOM 702 N ILE A 123 7.445 2.365 -1.276 1.00 10.00 N ATOM 703 CA ILE A 123 7.734 3.775 -1.061 1.00 10.00 C ATOM 704 C ILE A 123 8.311 4.378 -2.337 1.00 10.00 C ATOM 705 O ILE A 123 7.895 5.443 -2.772 1.00 10.00 O ATOM 706 CB ILE A 123 8.609 3.987 0.202 1.00 10.00 C ATOM 707 CG1 ILE A 123 7.999 5.028 1.157 1.00 10.00 C ATOM 708 CG2 ILE A 123 10.022 4.488 -0.110 1.00 10.00 C ATOM 709 CD1 ILE A 123 7.407 4.397 2.415 1.00 10.00 C ATOM 0 H ILE A 123 7.746 1.788 -0.491 1.00 10.00 H new ATOM 0 HA ILE A 123 6.812 4.316 -0.850 1.00 10.00 H new ATOM 0 HB ILE A 123 8.652 2.997 0.656 1.00 10.00 H new ATOM 0 HG12 ILE A 123 8.767 5.747 1.443 1.00 10.00 H new ATOM 0 HG13 ILE A 123 7.221 5.584 0.633 1.00 10.00 H new ATOM 0 HG21 ILE A 123 10.577 4.614 0.820 1.00 10.00 H new ATOM 0 HG22 ILE A 123 10.534 3.763 -0.743 1.00 10.00 H new ATOM 0 HG23 ILE A 123 9.963 5.445 -0.629 1.00 10.00 H new ATOM 0 HD11 ILE A 123 6.991 5.177 3.052 1.00 10.00 H new ATOM 0 HD12 ILE A 123 6.619 3.698 2.135 1.00 10.00 H new ATOM 0 HD13 ILE A 123 8.188 3.864 2.957 1.00 10.00 H new ATOM 721 N ARG A 124 9.249 3.649 -2.938 1.00 10.00 N ATOM 722 CA ARG A 124 10.002 4.052 -4.107 1.00 10.00 C ATOM 723 C ARG A 124 9.140 4.176 -5.373 1.00 10.00 C ATOM 724 O ARG A 124 9.610 4.752 -6.354 1.00 10.00 O ATOM 725 CB ARG A 124 11.139 3.034 -4.252 1.00 10.00 C ATOM 726 CG ARG A 124 12.125 3.372 -5.371 1.00 10.00 C ATOM 727 CD ARG A 124 13.359 2.472 -5.226 1.00 10.00 C ATOM 728 NE ARG A 124 14.107 2.374 -6.487 1.00 10.00 N ATOM 729 CZ ARG A 124 13.730 1.618 -7.532 1.00 10.00 C ATOM 730 NH1 ARG A 124 12.587 0.925 -7.476 1.00 10.00 N ATOM 731 NH2 ARG A 124 14.498 1.563 -8.627 1.00 10.00 N ATOM 0 H ARG A 124 9.511 2.722 -2.603 1.00 10.00 H new ATOM 0 HA ARG A 124 10.399 5.059 -3.977 1.00 10.00 H new ATOM 0 HB2 ARG A 124 11.681 2.971 -3.308 1.00 10.00 H new ATOM 0 HB3 ARG A 124 10.712 2.049 -4.441 1.00 10.00 H new ATOM 0 HG2 ARG A 124 11.659 3.220 -6.344 1.00 10.00 H new ATOM 0 HG3 ARG A 124 12.414 4.422 -5.316 1.00 10.00 H new ATOM 0 HD2 ARG A 124 14.009 2.868 -4.446 1.00 10.00 H new ATOM 0 HD3 ARG A 124 13.049 1.477 -4.908 1.00 10.00 H new ATOM 0 HE ARG A 124 14.968 2.914 -6.575 1.00 10.00 H new ATOM 0 HH11 ARG A 124 12.003 0.971 -6.641 1.00 10.00 H new ATOM 0 HH12 ARG A 124 12.299 0.351 -8.268 1.00 10.00 H new ATOM 0 HH21 ARG A 124 15.368 2.094 -8.667 1.00 10.00 H new ATOM 0 HH22 ARG A 124 14.213 0.990 -9.421 1.00 10.00 H new ATOM 745 N GLU A 125 7.922 3.616 -5.382 1.00 10.00 N ATOM 746 CA GLU A 125 6.994 3.692 -6.508 1.00 10.00 C ATOM 747 C GLU A 125 5.660 4.357 -6.133 1.00 10.00 C ATOM 748 O GLU A 125 4.929 4.786 -7.025 1.00 10.00 O ATOM 749 CB GLU A 125 6.810 2.291 -7.119 1.00 10.00 C ATOM 750 CG GLU A 125 6.142 2.354 -8.505 1.00 10.00 C ATOM 751 CD GLU A 125 6.193 1.035 -9.268 1.00 10.00 C ATOM 752 OE1 GLU A 125 7.189 0.302 -9.085 1.00 10.00 O ATOM 753 OE2 GLU A 125 5.245 0.803 -10.049 1.00 10.00 O ATOM 0 H GLU A 125 7.552 3.089 -4.591 1.00 10.00 H new ATOM 0 HA GLU A 125 7.427 4.343 -7.267 1.00 10.00 H new ATOM 0 HB2 GLU A 125 7.780 1.802 -7.205 1.00 10.00 H new ATOM 0 HB3 GLU A 125 6.203 1.680 -6.451 1.00 10.00 H new ATOM 0 HG2 GLU A 125 5.101 2.654 -8.384 1.00 10.00 H new ATOM 0 HG3 GLU A 125 6.630 3.127 -9.099 1.00 10.00 H new ATOM 760 N ALA A 126 5.311 4.482 -4.845 1.00 10.00 N ATOM 761 CA ALA A 126 4.033 5.061 -4.425 1.00 10.00 C ATOM 762 C ALA A 126 3.972 6.590 -4.586 1.00 10.00 C ATOM 763 O ALA A 126 3.381 7.273 -3.750 1.00 10.00 O ATOM 764 CB ALA A 126 3.703 4.649 -2.980 1.00 10.00 C ATOM 0 H ALA A 126 5.905 4.185 -4.071 1.00 10.00 H new ATOM 0 HA ALA A 126 3.275 4.656 -5.096 1.00 10.00 H new ATOM 0 HB1 ALA A 126 2.750 5.088 -2.685 1.00 10.00 H new ATOM 0 HB2 ALA A 126 3.637 3.563 -2.917 1.00 10.00 H new ATOM 0 HB3 ALA A 126 4.488 5.004 -2.312 1.00 10.00 H new ATOM 770 N ASP A 127 4.505 7.129 -5.685 1.00 10.00 N ATOM 771 CA ASP A 127 4.561 8.558 -5.954 1.00 10.00 C ATOM 772 C ASP A 127 3.453 8.896 -6.955 1.00 10.00 C ATOM 773 O ASP A 127 3.706 9.547 -7.967 1.00 10.00 O ATOM 774 CB ASP A 127 5.934 8.938 -6.547 1.00 10.00 C ATOM 775 CG ASP A 127 7.103 8.866 -5.573 1.00 10.00 C ATOM 776 OD1 ASP A 127 7.382 7.745 -5.100 1.00 10.00 O ATOM 777 OD2 ASP A 127 7.739 9.925 -5.380 1.00 10.00 O ATOM 0 H ASP A 127 4.918 6.565 -6.428 1.00 10.00 H new ATOM 0 HA ASP A 127 4.423 9.117 -5.028 1.00 10.00 H new ATOM 0 HB2 ASP A 127 6.143 8.279 -7.390 1.00 10.00 H new ATOM 0 HB3 ASP A 127 5.873 9.952 -6.942 1.00 10.00 H new ATOM 782 N VAL A 128 2.222 8.423 -6.725 1.00 10.00 N ATOM 783 CA VAL A 128 1.186 8.549 -7.745 1.00 10.00 C ATOM 784 C VAL A 128 0.795 10.012 -7.915 1.00 10.00 C ATOM 785 O VAL A 128 0.783 10.516 -9.036 1.00 10.00 O ATOM 786 CB VAL A 128 -0.033 7.666 -7.444 1.00 10.00 C ATOM 787 CG1 VAL A 128 -1.199 7.955 -8.400 1.00 10.00 C ATOM 788 CG2 VAL A 128 0.355 6.188 -7.562 1.00 10.00 C ATOM 0 H VAL A 128 1.928 7.962 -5.864 1.00 10.00 H new ATOM 0 HA VAL A 128 1.596 8.190 -8.689 1.00 10.00 H new ATOM 0 HB VAL A 128 -0.359 7.894 -6.429 1.00 10.00 H new ATOM 0 HG11 VAL A 128 -2.041 7.309 -8.152 1.00 10.00 H new ATOM 0 HG12 VAL A 128 -1.500 8.998 -8.301 1.00 10.00 H new ATOM 0 HG13 VAL A 128 -0.884 7.764 -9.426 1.00 10.00 H new ATOM 0 HG21 VAL A 128 -0.514 5.566 -7.347 1.00 10.00 H new ATOM 0 HG22 VAL A 128 0.707 5.984 -8.573 1.00 10.00 H new ATOM 0 HG23 VAL A 128 1.148 5.962 -6.849 1.00 10.00 H new ATOM 798 N ASP A 129 0.436 10.670 -6.808 1.00 10.00 N ATOM 799 CA ASP A 129 -0.023 12.051 -6.859 1.00 10.00 C ATOM 800 C ASP A 129 1.146 12.973 -7.233 1.00 10.00 C ATOM 801 O ASP A 129 1.268 13.373 -8.388 1.00 10.00 O ATOM 802 CB ASP A 129 -0.697 12.404 -5.529 1.00 10.00 C ATOM 803 CG ASP A 129 -1.358 13.772 -5.552 1.00 10.00 C ATOM 804 OD1 ASP A 129 -2.193 13.987 -6.454 1.00 10.00 O ATOM 805 OD2 ASP A 129 -1.040 14.559 -4.634 1.00 10.00 O ATOM 0 H ASP A 129 0.456 10.266 -5.872 1.00 10.00 H new ATOM 0 HA ASP A 129 -0.774 12.189 -7.637 1.00 10.00 H new ATOM 0 HB2 ASP A 129 -1.445 11.647 -5.293 1.00 10.00 H new ATOM 0 HB3 ASP A 129 0.046 12.377 -4.732 1.00 10.00 H new ATOM 810 N GLN A 130 2.033 13.265 -6.272 1.00 10.00 N ATOM 811 CA GLN A 130 3.293 13.984 -6.467 1.00 10.00 C ATOM 812 C GLN A 130 4.117 13.937 -5.165 1.00 10.00 C ATOM 813 O GLN A 130 4.766 14.918 -4.812 1.00 10.00 O ATOM 814 CB GLN A 130 3.007 15.433 -6.937 1.00 10.00 C ATOM 815 CG GLN A 130 4.263 16.233 -7.324 1.00 10.00 C ATOM 816 CD GLN A 130 3.955 17.418 -8.238 1.00 10.00 C ATOM 817 OE1 GLN A 130 2.850 17.950 -8.253 1.00 10.00 O ATOM 818 NE2 GLN A 130 4.945 17.857 -9.011 1.00 10.00 N ATOM 0 H GLN A 130 1.884 12.995 -5.300 1.00 10.00 H new ATOM 0 HA GLN A 130 3.884 13.506 -7.248 1.00 10.00 H new ATOM 0 HB2 GLN A 130 2.334 15.398 -7.794 1.00 10.00 H new ATOM 0 HB3 GLN A 130 2.483 15.964 -6.142 1.00 10.00 H new ATOM 0 HG2 GLN A 130 4.750 16.596 -6.419 1.00 10.00 H new ATOM 0 HG3 GLN A 130 4.970 15.570 -7.823 1.00 10.00 H new ATOM 0 HE21 GLN A 130 5.856 17.399 -8.982 1.00 10.00 H new ATOM 0 HE22 GLN A 130 4.793 18.651 -9.632 1.00 10.00 H new ATOM 827 N ASP A 131 4.070 12.823 -4.419 1.00 10.00 N ATOM 828 CA ASP A 131 4.625 12.765 -3.063 1.00 10.00 C ATOM 829 C ASP A 131 4.656 11.315 -2.537 1.00 10.00 C ATOM 830 O ASP A 131 5.635 10.613 -2.756 1.00 10.00 O ATOM 831 CB ASP A 131 3.877 13.798 -2.185 1.00 10.00 C ATOM 832 CG ASP A 131 3.723 13.446 -0.719 1.00 10.00 C ATOM 833 OD1 ASP A 131 4.615 13.784 0.082 1.00 10.00 O ATOM 834 OD2 ASP A 131 2.666 12.833 -0.436 1.00 10.00 O ATOM 0 H ASP A 131 3.651 11.948 -4.736 1.00 10.00 H new ATOM 0 HA ASP A 131 5.675 13.056 -3.042 1.00 10.00 H new ATOM 0 HB2 ASP A 131 4.402 14.751 -2.255 1.00 10.00 H new ATOM 0 HB3 ASP A 131 2.883 13.950 -2.607 1.00 10.00 H new ATOM 839 N GLY A 132 3.601 10.846 -1.870 1.00 10.00 N ATOM 840 CA GLY A 132 3.532 9.536 -1.229 1.00 10.00 C ATOM 841 C GLY A 132 2.072 9.124 -1.032 1.00 10.00 C ATOM 842 O GLY A 132 1.736 8.349 -0.131 1.00 10.00 O ATOM 0 H GLY A 132 2.743 11.387 -1.758 1.00 10.00 H new ATOM 0 HA2 GLY A 132 4.048 8.796 -1.841 1.00 10.00 H new ATOM 0 HA3 GLY A 132 4.043 9.566 -0.266 1.00 10.00 H new ATOM 846 N ARG A 133 1.208 9.684 -1.884 1.00 10.00 N ATOM 847 CA ARG A 133 -0.212 9.411 -1.978 1.00 10.00 C ATOM 848 C ARG A 133 -0.387 8.461 -3.155 1.00 10.00 C ATOM 849 O ARG A 133 0.198 8.701 -4.215 1.00 10.00 O ATOM 850 CB ARG A 133 -0.955 10.722 -2.235 1.00 10.00 C ATOM 851 CG ARG A 133 -0.960 11.652 -1.020 1.00 10.00 C ATOM 852 CD ARG A 133 -0.698 13.096 -1.465 1.00 10.00 C ATOM 853 NE ARG A 133 -1.038 14.062 -0.407 1.00 10.00 N ATOM 854 CZ ARG A 133 -0.451 14.175 0.796 1.00 10.00 C ATOM 855 NH1 ARG A 133 0.695 13.553 1.070 1.00 10.00 N ATOM 856 NH2 ARG A 133 -1.031 14.916 1.747 1.00 10.00 N ATOM 0 H ARG A 133 1.509 10.382 -2.564 1.00 10.00 H new ATOM 0 HA ARG A 133 -0.608 8.970 -1.063 1.00 10.00 H new ATOM 0 HB2 ARG A 133 -0.493 11.236 -3.078 1.00 10.00 H new ATOM 0 HB3 ARG A 133 -1.983 10.501 -2.521 1.00 10.00 H new ATOM 0 HG2 ARG A 133 -1.920 11.589 -0.507 1.00 10.00 H new ATOM 0 HG3 ARG A 133 -0.197 11.338 -0.308 1.00 10.00 H new ATOM 0 HD2 ARG A 133 0.352 13.208 -1.737 1.00 10.00 H new ATOM 0 HD3 ARG A 133 -1.284 13.313 -2.358 1.00 10.00 H new ATOM 0 HE ARG A 133 -1.798 14.712 -0.608 1.00 10.00 H new ATOM 0 HH11 ARG A 133 1.145 12.976 0.359 1.00 10.00 H new ATOM 0 HH12 ARG A 133 1.122 13.654 1.991 1.00 10.00 H new ATOM 0 HH21 ARG A 133 -1.913 15.391 1.556 1.00 10.00 H new ATOM 0 HH22 ARG A 133 -0.591 15.006 2.663 1.00 10.00 H new ATOM 870 N VAL A 134 -1.136 7.376 -2.942 1.00 10.00 N ATOM 871 CA VAL A 134 -1.218 6.258 -3.869 1.00 10.00 C ATOM 872 C VAL A 134 -2.671 5.869 -4.127 1.00 10.00 C ATOM 873 O VAL A 134 -3.416 5.574 -3.192 1.00 10.00 O ATOM 874 CB VAL A 134 -0.366 5.069 -3.370 1.00 10.00 C ATOM 875 CG1 VAL A 134 0.714 4.774 -4.398 1.00 10.00 C ATOM 876 CG2 VAL A 134 0.310 5.340 -2.016 1.00 10.00 C ATOM 0 H VAL A 134 -1.709 7.253 -2.107 1.00 10.00 H new ATOM 0 HA VAL A 134 -0.801 6.568 -4.827 1.00 10.00 H new ATOM 0 HB VAL A 134 -1.040 4.223 -3.237 1.00 10.00 H new ATOM 0 HG11 VAL A 134 1.322 3.936 -4.057 1.00 10.00 H new ATOM 0 HG12 VAL A 134 0.250 4.521 -5.351 1.00 10.00 H new ATOM 0 HG13 VAL A 134 1.346 5.653 -4.524 1.00 10.00 H new ATOM 0 HG21 VAL A 134 0.893 4.468 -1.720 1.00 10.00 H new ATOM 0 HG22 VAL A 134 0.968 6.204 -2.105 1.00 10.00 H new ATOM 0 HG23 VAL A 134 -0.452 5.540 -1.263 1.00 10.00 H new ATOM 886 N ASN A 135 -3.069 5.839 -5.403 1.00 10.00 N ATOM 887 CA ASN A 135 -4.321 5.223 -5.816 1.00 10.00 C ATOM 888 C ASN A 135 -4.301 3.773 -5.344 1.00 10.00 C ATOM 889 O ASN A 135 -3.432 3.009 -5.756 1.00 10.00 O ATOM 890 CB ASN A 135 -4.470 5.247 -7.348 1.00 10.00 C ATOM 891 CG ASN A 135 -5.489 6.246 -7.891 1.00 10.00 C ATOM 892 OD1 ASN A 135 -6.306 6.798 -7.159 1.00 10.00 O ATOM 893 ND2 ASN A 135 -5.467 6.462 -9.201 1.00 10.00 N ATOM 0 H ASN A 135 -2.531 6.241 -6.171 1.00 10.00 H new ATOM 0 HA ASN A 135 -5.156 5.774 -5.384 1.00 10.00 H new ATOM 0 HB2 ASN A 135 -3.498 5.470 -7.787 1.00 10.00 H new ATOM 0 HB3 ASN A 135 -4.750 4.249 -7.685 1.00 10.00 H new ATOM 0 HD21 ASN A 135 -6.140 7.101 -9.624 1.00 10.00 H new ATOM 0 HD22 ASN A 135 -4.777 5.989 -9.784 1.00 10.00 H new ATOM 900 N TYR A 136 -5.251 3.401 -4.488 1.00 10.00 N ATOM 901 CA TYR A 136 -5.393 2.070 -3.920 1.00 10.00 C ATOM 902 C TYR A 136 -5.280 0.968 -4.991 1.00 10.00 C ATOM 903 O TYR A 136 -4.321 0.192 -5.002 1.00 10.00 O ATOM 904 CB TYR A 136 -6.715 2.062 -3.145 1.00 10.00 C ATOM 905 CG TYR A 136 -7.435 0.739 -3.107 1.00 10.00 C ATOM 906 CD1 TYR A 136 -6.880 -0.314 -2.386 1.00 10.00 C ATOM 907 CD2 TYR A 136 -8.672 0.565 -3.742 1.00 10.00 C ATOM 908 CE1 TYR A 136 -7.638 -1.466 -2.135 1.00 10.00 C ATOM 909 CE2 TYR A 136 -9.482 -0.521 -3.402 1.00 10.00 C ATOM 910 CZ TYR A 136 -8.977 -1.525 -2.560 1.00 10.00 C ATOM 911 OH TYR A 136 -9.769 -2.563 -2.171 1.00 10.00 O ATOM 0 H TYR A 136 -5.969 4.047 -4.161 1.00 10.00 H new ATOM 0 HA TYR A 136 -4.577 1.840 -3.235 1.00 10.00 H new ATOM 0 HB2 TYR A 136 -6.518 2.378 -2.121 1.00 10.00 H new ATOM 0 HB3 TYR A 136 -7.379 2.805 -3.586 1.00 10.00 H new ATOM 0 HD1 TYR A 136 -5.866 -0.244 -2.020 1.00 10.00 H new ATOM 0 HD2 TYR A 136 -8.998 1.269 -4.493 1.00 10.00 H new ATOM 0 HE1 TYR A 136 -7.196 -2.304 -1.618 1.00 10.00 H new ATOM 0 HE2 TYR A 136 -10.490 -0.588 -3.784 1.00 10.00 H new ATOM 0 HH TYR A 136 -10.665 -2.451 -2.551 1.00 10.00 H new ATOM 921 N GLU A 137 -6.270 0.898 -5.885 1.00 10.00 N ATOM 922 CA GLU A 137 -6.378 -0.165 -6.877 1.00 10.00 C ATOM 923 C GLU A 137 -5.151 -0.140 -7.790 1.00 10.00 C ATOM 924 O GLU A 137 -4.414 -1.121 -7.886 1.00 10.00 O ATOM 925 CB GLU A 137 -7.713 -0.013 -7.627 1.00 10.00 C ATOM 926 CG GLU A 137 -7.954 -1.104 -8.683 1.00 10.00 C ATOM 927 CD GLU A 137 -7.162 -0.883 -9.969 1.00 10.00 C ATOM 928 OE1 GLU A 137 -7.145 0.280 -10.426 1.00 10.00 O ATOM 929 OE2 GLU A 137 -6.575 -1.870 -10.461 1.00 10.00 O ATOM 0 H GLU A 137 -7.023 1.584 -5.938 1.00 10.00 H new ATOM 0 HA GLU A 137 -6.388 -1.148 -6.407 1.00 10.00 H new ATOM 0 HB2 GLU A 137 -8.530 -0.031 -6.905 1.00 10.00 H new ATOM 0 HB3 GLU A 137 -7.738 0.963 -8.112 1.00 10.00 H new ATOM 0 HG2 GLU A 137 -7.687 -2.073 -8.262 1.00 10.00 H new ATOM 0 HG3 GLU A 137 -9.017 -1.142 -8.921 1.00 10.00 H new ATOM 936 N GLU A 138 -4.911 1.015 -8.415 1.00 10.00 N ATOM 937 CA GLU A 138 -3.795 1.221 -9.323 1.00 10.00 C ATOM 938 C GLU A 138 -2.499 0.722 -8.677 1.00 10.00 C ATOM 939 O GLU A 138 -1.771 -0.073 -9.265 1.00 10.00 O ATOM 940 CB GLU A 138 -3.732 2.707 -9.700 1.00 10.00 C ATOM 941 CG GLU A 138 -3.027 2.964 -11.038 1.00 10.00 C ATOM 942 CD GLU A 138 -3.071 4.437 -11.429 1.00 10.00 C ATOM 943 OE1 GLU A 138 -3.499 5.248 -10.576 1.00 10.00 O ATOM 944 OE2 GLU A 138 -2.688 4.723 -12.583 1.00 10.00 O ATOM 0 H GLU A 138 -5.498 1.841 -8.299 1.00 10.00 H new ATOM 0 HA GLU A 138 -3.932 0.647 -10.240 1.00 10.00 H new ATOM 0 HB2 GLU A 138 -4.745 3.106 -9.749 1.00 10.00 H new ATOM 0 HB3 GLU A 138 -3.212 3.253 -8.913 1.00 10.00 H new ATOM 0 HG2 GLU A 138 -1.989 2.637 -10.971 1.00 10.00 H new ATOM 0 HG3 GLU A 138 -3.499 2.367 -11.818 1.00 10.00 H new ATOM 951 N PHE A 139 -2.233 1.133 -7.433 1.00 10.00 N ATOM 952 CA PHE A 139 -1.059 0.674 -6.709 1.00 10.00 C ATOM 953 C PHE A 139 -1.020 -0.840 -6.582 1.00 10.00 C ATOM 954 O PHE A 139 0.013 -1.449 -6.842 1.00 10.00 O ATOM 955 CB PHE A 139 -0.937 1.346 -5.340 1.00 10.00 C ATOM 956 CG PHE A 139 0.284 0.873 -4.579 1.00 10.00 C ATOM 957 CD1 PHE A 139 0.204 -0.325 -3.848 1.00 10.00 C ATOM 958 CD2 PHE A 139 1.547 1.445 -4.823 1.00 10.00 C ATOM 959 CE1 PHE A 139 1.355 -0.903 -3.302 1.00 10.00 C ATOM 960 CE2 PHE A 139 2.693 0.910 -4.210 1.00 10.00 C ATOM 961 CZ PHE A 139 2.586 -0.257 -3.436 1.00 10.00 C ATOM 0 H PHE A 139 -2.820 1.784 -6.912 1.00 10.00 H new ATOM 0 HA PHE A 139 -0.193 0.971 -7.301 1.00 10.00 H new ATOM 0 HB2 PHE A 139 -0.886 2.427 -5.471 1.00 10.00 H new ATOM 0 HB3 PHE A 139 -1.832 1.138 -4.754 1.00 10.00 H new ATOM 0 HD1 PHE A 139 -0.754 -0.803 -3.707 1.00 10.00 H new ATOM 0 HD2 PHE A 139 1.635 2.296 -5.482 1.00 10.00 H new ATOM 0 HE1 PHE A 139 1.292 -1.846 -2.779 1.00 10.00 H new ATOM 0 HE2 PHE A 139 3.651 1.394 -4.333 1.00 10.00 H new ATOM 0 HZ PHE A 139 3.459 -0.657 -2.942 1.00 10.00 H new ATOM 971 N ALA A 140 -2.124 -1.458 -6.161 1.00 10.00 N ATOM 972 CA ALA A 140 -2.191 -2.909 -6.079 1.00 10.00 C ATOM 973 C ALA A 140 -1.746 -3.533 -7.404 1.00 10.00 C ATOM 974 O ALA A 140 -0.919 -4.445 -7.432 1.00 10.00 O ATOM 975 CB ALA A 140 -3.619 -3.315 -5.730 1.00 10.00 C ATOM 0 H ALA A 140 -2.976 -0.976 -5.874 1.00 10.00 H new ATOM 0 HA ALA A 140 -1.519 -3.272 -5.302 1.00 10.00 H new ATOM 0 HB1 ALA A 140 -3.683 -4.401 -5.665 1.00 10.00 H new ATOM 0 HB2 ALA A 140 -3.898 -2.877 -4.771 1.00 10.00 H new ATOM 0 HB3 ALA A 140 -4.298 -2.957 -6.503 1.00 10.00 H new ATOM 981 N ARG A 141 -2.284 -2.996 -8.500 1.00 10.00 N ATOM 982 CA ARG A 141 -1.963 -3.398 -9.859 1.00 10.00 C ATOM 983 C ARG A 141 -0.462 -3.233 -10.139 1.00 10.00 C ATOM 984 O ARG A 141 0.179 -4.151 -10.653 1.00 10.00 O ATOM 985 CB ARG A 141 -2.854 -2.589 -10.815 1.00 10.00 C ATOM 986 CG ARG A 141 -3.270 -3.357 -12.069 1.00 10.00 C ATOM 987 CD ARG A 141 -2.178 -3.348 -13.144 1.00 10.00 C ATOM 988 NE ARG A 141 -2.729 -3.773 -14.438 1.00 10.00 N ATOM 989 CZ ARG A 141 -3.560 -3.067 -15.216 1.00 10.00 C ATOM 990 NH1 ARG A 141 -3.912 -1.820 -14.876 1.00 10.00 N ATOM 991 NH2 ARG A 141 -4.032 -3.644 -16.321 1.00 10.00 N ATOM 0 H ARG A 141 -2.975 -2.247 -8.459 1.00 10.00 H new ATOM 0 HA ARG A 141 -2.169 -4.458 -10.011 1.00 10.00 H new ATOM 0 HB2 ARG A 141 -3.750 -2.272 -10.281 1.00 10.00 H new ATOM 0 HB3 ARG A 141 -2.324 -1.685 -11.113 1.00 10.00 H new ATOM 0 HG2 ARG A 141 -3.504 -4.387 -11.801 1.00 10.00 H new ATOM 0 HG3 ARG A 141 -4.181 -2.918 -12.476 1.00 10.00 H new ATOM 0 HD2 ARG A 141 -1.755 -2.348 -13.233 1.00 10.00 H new ATOM 0 HD3 ARG A 141 -1.365 -4.013 -12.852 1.00 10.00 H new ATOM 0 HE ARG A 141 -2.452 -4.694 -14.777 1.00 10.00 H new ATOM 0 HH11 ARG A 141 -3.547 -1.402 -14.020 1.00 10.00 H new ATOM 0 HH12 ARG A 141 -4.545 -1.288 -15.473 1.00 10.00 H new ATOM 0 HH21 ARG A 141 -3.759 -4.598 -16.555 1.00 10.00 H new ATOM 0 HH22 ARG A 141 -4.667 -3.131 -16.933 1.00 10.00 H new ATOM 1005 N MET A 142 0.117 -2.079 -9.790 1.00 10.00 N ATOM 1006 CA MET A 142 1.548 -1.856 -9.950 1.00 10.00 C ATOM 1007 C MET A 142 2.359 -2.856 -9.129 1.00 10.00 C ATOM 1008 O MET A 142 3.254 -3.479 -9.686 1.00 10.00 O ATOM 1009 CB MET A 142 1.967 -0.429 -9.585 1.00 10.00 C ATOM 1010 CG MET A 142 1.842 0.575 -10.737 1.00 10.00 C ATOM 1011 SD MET A 142 0.201 0.736 -11.486 1.00 10.00 S ATOM 1012 CE MET A 142 0.581 1.805 -12.890 1.00 10.00 C ATOM 0 H MET A 142 -0.389 -1.287 -9.395 1.00 10.00 H new ATOM 0 HA MET A 142 1.760 -2.004 -11.009 1.00 10.00 H new ATOM 0 HB2 MET A 142 1.357 -0.085 -8.750 1.00 10.00 H new ATOM 0 HB3 MET A 142 3.001 -0.443 -9.240 1.00 10.00 H new ATOM 0 HG2 MET A 142 2.149 1.555 -10.372 1.00 10.00 H new ATOM 0 HG3 MET A 142 2.548 0.290 -11.517 1.00 10.00 H new ATOM 0 HE1 MET A 142 -0.330 2.000 -13.456 1.00 10.00 H new ATOM 0 HE2 MET A 142 0.992 2.748 -12.529 1.00 10.00 H new ATOM 0 HE3 MET A 142 1.310 1.314 -13.534 1.00 10.00 H new ATOM 1022 N LEU A 143 2.092 -3.027 -7.825 1.00 10.00 N ATOM 1023 CA LEU A 143 2.902 -3.920 -7.026 1.00 10.00 C ATOM 1024 C LEU A 143 2.779 -5.355 -7.555 1.00 10.00 C ATOM 1025 O LEU A 143 3.771 -6.074 -7.628 1.00 10.00 O ATOM 1026 CB LEU A 143 2.543 -3.817 -5.536 1.00 10.00 C ATOM 1027 CG LEU A 143 3.785 -3.859 -4.631 1.00 10.00 C ATOM 1028 CD1 LEU A 143 3.338 -4.444 -3.307 1.00 10.00 C ATOM 1029 CD2 LEU A 143 4.947 -4.747 -5.072 1.00 10.00 C ATOM 0 H LEU A 143 1.335 -2.564 -7.322 1.00 10.00 H new ATOM 0 HA LEU A 143 3.946 -3.620 -7.113 1.00 10.00 H new ATOM 0 HB2 LEU A 143 1.999 -2.889 -5.359 1.00 10.00 H new ATOM 0 HB3 LEU A 143 1.874 -4.635 -5.269 1.00 10.00 H new ATOM 0 HG LEU A 143 4.158 -2.835 -4.627 1.00 10.00 H new ATOM 0 HD11 LEU A 143 4.188 -4.495 -2.626 1.00 10.00 H new ATOM 0 HD12 LEU A 143 2.563 -3.812 -2.873 1.00 10.00 H new ATOM 0 HD13 LEU A 143 2.941 -5.446 -3.468 1.00 10.00 H new ATOM 0 HD21 LEU A 143 5.753 -4.680 -4.342 1.00 10.00 H new ATOM 0 HD22 LEU A 143 4.608 -5.780 -5.145 1.00 10.00 H new ATOM 0 HD23 LEU A 143 5.310 -4.415 -6.045 1.00 10.00 H new ATOM 1041 N ALA A 144 1.568 -5.775 -7.950 1.00 10.00 N ATOM 1042 CA ALA A 144 1.391 -7.022 -8.684 1.00 10.00 C ATOM 1043 C ALA A 144 2.319 -7.080 -9.901 1.00 10.00 C ATOM 1044 O ALA A 144 2.927 -8.115 -10.166 1.00 10.00 O ATOM 1045 CB ALA A 144 -0.065 -7.158 -9.136 1.00 10.00 C ATOM 0 H ALA A 144 0.703 -5.266 -7.771 1.00 10.00 H new ATOM 0 HA ALA A 144 1.645 -7.848 -8.019 1.00 10.00 H new ATOM 0 HB1 ALA A 144 -0.190 -8.092 -9.684 1.00 10.00 H new ATOM 0 HB2 ALA A 144 -0.718 -7.159 -8.263 1.00 10.00 H new ATOM 0 HB3 ALA A 144 -0.325 -6.320 -9.783 1.00 10.00 H new