USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 436 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 133 GLN : amide:sc= -0.0789 X(o=-0.39,f=-0.59) USER MOD Set 1.2: A 135 HIS : no HD1:sc= -0.315 X(o=-0.39,f=-0.22) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 MET CE :methyl -166:sc= -0.92 (180deg=-1.29) USER MOD Single : A 122 GLN : amide:sc=-0.00565 X(o=-0.0057,f=-0.004) USER MOD Single : A 123 HIS : no HD1:sc= -5.2! C(o=-5.2!,f=-6.2!) USER MOD Single : A 125 GLN : amide:sc= -0.0663 K(o=-0.066,f=-1.6!) USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD Single : A 151 THR OG1 : rot 180:sc= -0.0902 USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 154 MET CE :methyl -128:sc= -4.52! (180deg=-12!) USER MOD Single : A 159 THR OG1 : rot 180:sc= -0.105 USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 109 1.198 10.294 -2.557 1.00 0.00 N ATOM 67 CA ARG A 109 -0.069 9.654 -2.886 1.00 0.00 C ATOM 68 C ARG A 109 -0.521 8.729 -1.760 1.00 0.00 C ATOM 69 O ARG A 109 0.295 8.053 -1.134 1.00 0.00 O ATOM 70 CB ARG A 109 0.058 8.865 -4.190 1.00 0.00 C ATOM 71 CG ARG A 109 -0.095 9.719 -5.438 1.00 0.00 C ATOM 72 CD ARG A 109 -1.551 10.076 -5.693 1.00 0.00 C ATOM 73 NE ARG A 109 -1.756 10.614 -7.035 1.00 0.00 N ATOM 74 CZ ARG A 109 -2.954 10.826 -7.567 1.00 0.00 C ATOM 75 NH1 ARG A 109 -4.049 10.548 -6.874 1.00 0.00 N ATOM 76 NH2 ARG A 109 -3.058 11.319 -8.796 1.00 0.00 N ATOM 0 HA ARG A 109 -0.819 10.435 -3.013 1.00 0.00 H new ATOM 0 HB2 ARG A 109 1.031 8.374 -4.214 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -0.697 8.079 -4.204 1.00 0.00 H new ATOM 0 HG2 ARG A 109 0.491 10.632 -5.330 1.00 0.00 H new ATOM 0 HG3 ARG A 109 0.306 9.183 -6.298 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -2.170 9.189 -5.560 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -1.879 10.808 -4.955 1.00 0.00 H new ATOM 0 HE ARG A 109 -0.934 10.839 -7.595 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -3.973 10.170 -5.930 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -4.968 10.712 -7.285 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -2.217 11.535 -9.332 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -3.979 11.482 -9.204 1.00 0.00 H new ATOM 90 N ARG A 110 -1.826 8.705 -1.509 1.00 0.00 N ATOM 91 CA ARG A 110 -2.386 7.864 -0.457 1.00 0.00 C ATOM 92 C ARG A 110 -2.095 6.391 -0.726 1.00 0.00 C ATOM 93 O ARG A 110 -1.955 5.975 -1.878 1.00 0.00 O ATOM 94 CB ARG A 110 -3.896 8.086 -0.348 1.00 0.00 C ATOM 95 CG ARG A 110 -4.322 9.518 -0.624 1.00 0.00 C ATOM 96 CD ARG A 110 -5.677 9.824 -0.003 1.00 0.00 C ATOM 97 NE ARG A 110 -6.777 9.538 -0.919 1.00 0.00 N ATOM 98 CZ ARG A 110 -7.151 10.356 -1.897 1.00 0.00 C ATOM 99 NH1 ARG A 110 -6.515 11.505 -2.085 1.00 0.00 N ATOM 100 NH2 ARG A 110 -8.161 10.025 -2.691 1.00 0.00 N ATOM 0 H ARG A 110 -2.515 9.258 -2.019 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.916 8.142 0.486 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -4.404 7.423 -1.049 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -4.225 7.804 0.652 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -3.575 10.205 -0.226 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -4.367 9.685 -1.700 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -5.800 9.235 0.906 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -5.713 10.873 0.290 1.00 0.00 H new ATOM 0 HE ARG A 110 -7.286 8.662 -0.802 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -5.737 11.762 -1.478 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -6.804 12.131 -2.837 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -8.651 9.142 -2.551 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -8.447 10.654 -3.441 1.00 0.00 H new ATOM 114 N LEU A 111 -2.004 5.606 0.341 1.00 0.00 N ATOM 115 CA LEU A 111 -1.730 4.178 0.220 1.00 0.00 C ATOM 116 C LEU A 111 -2.837 3.475 -0.558 1.00 0.00 C ATOM 117 O LEU A 111 -2.585 2.615 -1.402 1.00 0.00 O ATOM 118 CB LEU A 111 -1.585 3.548 1.606 1.00 0.00 C ATOM 119 CG LEU A 111 -0.830 2.220 1.665 1.00 0.00 C ATOM 120 CD1 LEU A 111 0.603 2.400 1.183 1.00 0.00 C ATOM 121 CD2 LEU A 111 -0.852 1.655 3.077 1.00 0.00 C ATOM 0 H LEU A 111 -2.116 5.934 1.300 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.795 4.057 -0.327 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.077 4.261 2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -2.582 3.395 2.019 1.00 0.00 H new ATOM 0 HG LEU A 111 -1.329 1.511 1.004 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.126 1.445 1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.598 2.759 0.154 1.00 0.00 H new ATOM 0 HD13 LEU A 111 1.112 3.125 1.818 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -0.310 0.710 3.099 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -0.378 2.361 3.759 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -1.884 1.489 3.386 1.00 0.00 H new ATOM 133 N PRO A 112 -4.092 3.849 -0.269 1.00 0.00 N ATOM 134 CA PRO A 112 -5.263 3.267 -0.934 1.00 0.00 C ATOM 135 C PRO A 112 -5.193 3.397 -2.452 1.00 0.00 C ATOM 136 O PRO A 112 -5.517 2.461 -3.182 1.00 0.00 O ATOM 137 CB PRO A 112 -6.430 4.090 -0.380 1.00 0.00 C ATOM 138 CG PRO A 112 -5.943 4.602 0.932 1.00 0.00 C ATOM 139 CD PRO A 112 -4.466 4.866 0.726 1.00 0.00 C ATOM 0 HA PRO A 112 -5.349 2.197 -0.745 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -6.692 4.908 -1.052 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -7.324 3.478 -0.259 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -6.470 5.511 1.221 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -6.107 3.873 1.726 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -4.282 5.877 0.361 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -3.902 4.754 1.652 1.00 0.00 H new ATOM 147 N THR A 113 -4.766 4.566 -2.921 1.00 0.00 N ATOM 148 CA THR A 113 -4.654 4.819 -4.352 1.00 0.00 C ATOM 149 C THR A 113 -3.525 4.000 -4.969 1.00 0.00 C ATOM 150 O THR A 113 -3.685 3.409 -6.037 1.00 0.00 O ATOM 151 CB THR A 113 -4.407 6.312 -4.642 1.00 0.00 C ATOM 152 OG1 THR A 113 -5.442 7.103 -4.048 1.00 0.00 O ATOM 153 CG2 THR A 113 -4.359 6.571 -6.140 1.00 0.00 C ATOM 0 H THR A 113 -4.492 5.352 -2.331 1.00 0.00 H new ATOM 0 HA THR A 113 -5.602 4.522 -4.800 1.00 0.00 H new ATOM 0 HB THR A 113 -3.445 6.590 -4.211 1.00 0.00 H new ATOM 0 HG1 THR A 113 -5.277 8.051 -4.235 1.00 0.00 H new ATOM 0 HG21 THR A 113 -4.184 7.632 -6.320 1.00 0.00 H new ATOM 0 HG22 THR A 113 -3.552 5.989 -6.584 1.00 0.00 H new ATOM 0 HG23 THR A 113 -5.307 6.278 -6.590 1.00 0.00 H new ATOM 161 N VAL A 114 -2.383 3.968 -4.289 1.00 0.00 N ATOM 162 CA VAL A 114 -1.228 3.220 -4.768 1.00 0.00 C ATOM 163 C VAL A 114 -1.513 1.722 -4.789 1.00 0.00 C ATOM 164 O VAL A 114 -1.053 1.004 -5.678 1.00 0.00 O ATOM 165 CB VAL A 114 0.014 3.483 -3.896 1.00 0.00 C ATOM 166 CG1 VAL A 114 1.224 2.750 -4.453 1.00 0.00 C ATOM 167 CG2 VAL A 114 0.285 4.975 -3.792 1.00 0.00 C ATOM 0 H VAL A 114 -2.234 4.452 -3.404 1.00 0.00 H new ATOM 0 HA VAL A 114 -1.029 3.563 -5.783 1.00 0.00 H new ATOM 0 HB VAL A 114 -0.181 3.102 -2.894 1.00 0.00 H new ATOM 0 HG11 VAL A 114 2.091 2.948 -3.823 1.00 0.00 H new ATOM 0 HG12 VAL A 114 1.025 1.678 -4.469 1.00 0.00 H new ATOM 0 HG13 VAL A 114 1.425 3.097 -5.467 1.00 0.00 H new ATOM 0 HG21 VAL A 114 1.166 5.142 -3.172 1.00 0.00 H new ATOM 0 HG22 VAL A 114 0.459 5.384 -4.788 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -0.575 5.470 -3.341 1.00 0.00 H new ATOM 177 N LEU A 115 -2.275 1.257 -3.807 1.00 0.00 N ATOM 178 CA LEU A 115 -2.623 -0.156 -3.712 1.00 0.00 C ATOM 179 C LEU A 115 -3.525 -0.574 -4.869 1.00 0.00 C ATOM 180 O LEU A 115 -3.325 -1.625 -5.478 1.00 0.00 O ATOM 181 CB LEU A 115 -3.319 -0.442 -2.379 1.00 0.00 C ATOM 182 CG LEU A 115 -2.401 -0.719 -1.188 1.00 0.00 C ATOM 183 CD1 LEU A 115 -3.143 -0.499 0.120 1.00 0.00 C ATOM 184 CD2 LEU A 115 -1.847 -2.133 -1.259 1.00 0.00 C ATOM 0 H LEU A 115 -2.664 1.838 -3.064 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.702 -0.736 -3.766 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -3.953 0.410 -2.133 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -3.977 -1.301 -2.512 1.00 0.00 H new ATOM 0 HG LEU A 115 -1.565 -0.021 -1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -2.474 -0.701 0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -3.489 0.533 0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -3.999 -1.171 0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.196 -2.312 -0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -2.670 -2.847 -1.244 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -1.277 -2.255 -2.180 1.00 0.00 H new ATOM 196 N LEU A 116 -4.518 0.257 -5.169 1.00 0.00 N ATOM 197 CA LEU A 116 -5.450 -0.025 -6.255 1.00 0.00 C ATOM 198 C LEU A 116 -4.733 -0.021 -7.601 1.00 0.00 C ATOM 199 O LEU A 116 -5.061 -0.803 -8.493 1.00 0.00 O ATOM 200 CB LEU A 116 -6.581 1.007 -6.263 1.00 0.00 C ATOM 201 CG LEU A 116 -7.610 0.882 -5.139 1.00 0.00 C ATOM 202 CD1 LEU A 116 -8.582 2.050 -5.174 1.00 0.00 C ATOM 203 CD2 LEU A 116 -8.357 -0.440 -5.244 1.00 0.00 C ATOM 0 H LEU A 116 -4.698 1.131 -4.675 1.00 0.00 H new ATOM 0 HA LEU A 116 -5.872 -1.017 -6.092 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -6.139 2.002 -6.215 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -7.104 0.937 -7.217 1.00 0.00 H new ATOM 0 HG LEU A 116 -7.083 0.903 -4.185 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -9.307 1.944 -4.367 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -8.034 2.984 -5.049 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -9.103 2.061 -6.131 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -9.085 -0.512 -4.436 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -8.873 -0.491 -6.203 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -7.649 -1.265 -5.168 1.00 0.00 H new ATOM 215 N LYS A 117 -3.752 0.865 -7.742 1.00 0.00 N ATOM 216 CA LYS A 117 -2.986 0.970 -8.977 1.00 0.00 C ATOM 217 C LYS A 117 -1.909 -0.109 -9.043 1.00 0.00 C ATOM 218 O LYS A 117 -1.589 -0.616 -10.119 1.00 0.00 O ATOM 219 CB LYS A 117 -2.342 2.354 -9.087 1.00 0.00 C ATOM 220 CG LYS A 117 -1.324 2.464 -10.209 1.00 0.00 C ATOM 221 CD LYS A 117 0.075 2.122 -9.725 1.00 0.00 C ATOM 222 CE LYS A 117 1.073 2.105 -10.874 1.00 0.00 C ATOM 223 NZ LYS A 117 1.487 3.480 -11.269 1.00 0.00 N ATOM 0 H LYS A 117 -3.469 1.521 -7.014 1.00 0.00 H new ATOM 0 HA LYS A 117 -3.671 0.827 -9.812 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -3.123 3.098 -9.243 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -1.856 2.595 -8.142 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -1.603 1.794 -11.022 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -1.333 3.476 -10.613 1.00 0.00 H new ATOM 0 HD2 LYS A 117 0.391 2.850 -8.978 1.00 0.00 H new ATOM 0 HD3 LYS A 117 0.064 1.148 -9.236 1.00 0.00 H new ATOM 0 HE2 LYS A 117 1.952 1.530 -10.583 1.00 0.00 H new ATOM 0 HE3 LYS A 117 0.631 1.598 -11.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 2.167 3.426 -12.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 0.652 4.021 -11.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 1.932 3.955 -10.458 1.00 0.00 H new ATOM 237 N LEU A 118 -1.356 -0.458 -7.887 1.00 0.00 N ATOM 238 CA LEU A 118 -0.316 -1.479 -7.812 1.00 0.00 C ATOM 239 C LEU A 118 -0.925 -2.877 -7.830 1.00 0.00 C ATOM 240 O LEU A 118 -0.256 -3.859 -7.507 1.00 0.00 O ATOM 241 CB LEU A 118 0.522 -1.290 -6.546 1.00 0.00 C ATOM 242 CG LEU A 118 1.621 -0.230 -6.621 1.00 0.00 C ATOM 243 CD1 LEU A 118 2.477 -0.259 -5.363 1.00 0.00 C ATOM 244 CD2 LEU A 118 2.480 -0.438 -7.859 1.00 0.00 C ATOM 0 H LEU A 118 -1.610 -0.049 -6.988 1.00 0.00 H new ATOM 0 HA LEU A 118 0.328 -1.372 -8.685 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -0.148 -1.032 -5.726 1.00 0.00 H new ATOM 0 HB3 LEU A 118 0.983 -2.245 -6.293 1.00 0.00 H new ATOM 0 HG LEU A 118 1.150 0.750 -6.692 1.00 0.00 H new ATOM 0 HD11 LEU A 118 3.254 0.502 -5.434 1.00 0.00 H new ATOM 0 HD12 LEU A 118 1.852 -0.059 -4.493 1.00 0.00 H new ATOM 0 HD13 LEU A 118 2.939 -1.241 -5.260 1.00 0.00 H new ATOM 0 HD21 LEU A 118 3.257 0.326 -7.895 1.00 0.00 H new ATOM 0 HD22 LEU A 118 2.942 -1.424 -7.819 1.00 0.00 H new ATOM 0 HD23 LEU A 118 1.857 -0.365 -8.751 1.00 0.00 H new ATOM 256 N ARG A 119 -2.194 -2.960 -8.213 1.00 0.00 N ATOM 257 CA ARG A 119 -2.892 -4.238 -8.274 1.00 0.00 C ATOM 258 C ARG A 119 -2.796 -4.975 -6.941 1.00 0.00 C ATOM 259 O ARG A 119 -2.816 -6.204 -6.897 1.00 0.00 O ATOM 260 CB ARG A 119 -2.311 -5.108 -9.391 1.00 0.00 C ATOM 261 CG ARG A 119 -2.318 -4.433 -10.753 1.00 0.00 C ATOM 262 CD ARG A 119 -1.428 -5.168 -11.743 1.00 0.00 C ATOM 263 NE ARG A 119 -2.155 -6.208 -12.466 1.00 0.00 N ATOM 264 CZ ARG A 119 -1.622 -6.936 -13.442 1.00 0.00 C ATOM 265 NH1 ARG A 119 -0.363 -6.737 -13.808 1.00 0.00 N ATOM 266 NH2 ARG A 119 -2.348 -7.863 -14.052 1.00 0.00 N ATOM 0 H ARG A 119 -2.760 -2.157 -8.486 1.00 0.00 H new ATOM 0 HA ARG A 119 -3.943 -4.039 -8.485 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -1.287 -5.379 -9.134 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -2.880 -6.036 -9.451 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -3.338 -4.396 -11.137 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -1.978 -3.402 -10.651 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -1.012 -4.455 -12.455 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -0.588 -5.616 -11.212 1.00 0.00 H new ATOM 0 HE ARG A 119 -3.126 -6.386 -12.208 1.00 0.00 H new ATOM 0 HH11 ARG A 119 0.198 -6.025 -13.340 1.00 0.00 H new ATOM 0 HH12 ARG A 119 0.045 -7.296 -14.557 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -3.317 -8.018 -13.772 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -1.938 -8.421 -14.801 1.00 0.00 H new ATOM 280 N MET A 120 -2.693 -4.213 -5.856 1.00 0.00 N ATOM 281 CA MET A 120 -2.595 -4.793 -4.522 1.00 0.00 C ATOM 282 C MET A 120 -3.980 -5.011 -3.921 1.00 0.00 C ATOM 283 O MET A 120 -4.214 -5.995 -3.220 1.00 0.00 O ATOM 284 CB MET A 120 -1.767 -3.888 -3.608 1.00 0.00 C ATOM 285 CG MET A 120 -0.314 -3.759 -4.036 1.00 0.00 C ATOM 286 SD MET A 120 0.745 -5.011 -3.285 1.00 0.00 S ATOM 287 CE MET A 120 1.017 -4.296 -1.665 1.00 0.00 C ATOM 0 H MET A 120 -2.675 -3.193 -5.875 1.00 0.00 H new ATOM 0 HA MET A 120 -2.099 -5.760 -4.609 1.00 0.00 H new ATOM 0 HB2 MET A 120 -2.220 -2.897 -3.585 1.00 0.00 H new ATOM 0 HB3 MET A 120 -1.805 -4.280 -2.591 1.00 0.00 H new ATOM 0 HG2 MET A 120 -0.251 -3.838 -5.121 1.00 0.00 H new ATOM 0 HG3 MET A 120 0.054 -2.769 -3.767 1.00 0.00 H new ATOM 0 HE1 MET A 120 1.840 -4.813 -1.172 1.00 0.00 H new ATOM 0 HE2 MET A 120 1.264 -3.240 -1.770 1.00 0.00 H new ATOM 0 HE3 MET A 120 0.113 -4.399 -1.065 1.00 0.00 H new ATOM 297 N ALA A 121 -4.894 -4.088 -4.201 1.00 0.00 N ATOM 298 CA ALA A 121 -6.255 -4.181 -3.689 1.00 0.00 C ATOM 299 C ALA A 121 -7.261 -4.316 -4.827 1.00 0.00 C ATOM 300 O ALA A 121 -6.898 -4.237 -6.001 1.00 0.00 O ATOM 301 CB ALA A 121 -6.582 -2.965 -2.835 1.00 0.00 C ATOM 0 H ALA A 121 -4.716 -3.267 -4.780 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.324 -5.075 -3.070 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -7.602 -3.048 -2.459 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -5.889 -2.913 -1.995 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -6.490 -2.062 -3.438 1.00 0.00 H new ATOM 307 N GLN A 122 -8.526 -4.521 -4.472 1.00 0.00 N ATOM 308 CA GLN A 122 -9.583 -4.670 -5.465 1.00 0.00 C ATOM 309 C GLN A 122 -10.247 -3.327 -5.758 1.00 0.00 C ATOM 310 O GLN A 122 -10.132 -2.795 -6.862 1.00 0.00 O ATOM 311 CB GLN A 122 -10.630 -5.674 -4.980 1.00 0.00 C ATOM 312 CG GLN A 122 -11.704 -5.978 -6.012 1.00 0.00 C ATOM 313 CD GLN A 122 -11.192 -6.837 -7.152 1.00 0.00 C ATOM 314 OE1 GLN A 122 -11.091 -6.380 -8.291 1.00 0.00 O ATOM 315 NE2 GLN A 122 -10.863 -8.088 -6.850 1.00 0.00 N ATOM 0 H GLN A 122 -8.843 -4.588 -3.505 1.00 0.00 H new ATOM 0 HA GLN A 122 -9.133 -5.042 -6.385 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -10.130 -6.602 -4.703 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -11.104 -5.286 -4.078 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -12.537 -6.486 -5.525 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -12.092 -5.042 -6.413 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -10.963 -8.425 -5.892 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -10.510 -8.712 -7.576 1.00 0.00 H new ATOM 324 N HIS A 123 -10.940 -2.785 -4.762 1.00 0.00 N ATOM 325 CA HIS A 123 -11.621 -1.505 -4.913 1.00 0.00 C ATOM 326 C HIS A 123 -11.169 -0.518 -3.840 1.00 0.00 C ATOM 327 O HIS A 123 -10.400 -0.869 -2.944 1.00 0.00 O ATOM 328 CB HIS A 123 -13.136 -1.698 -4.840 1.00 0.00 C ATOM 329 CG HIS A 123 -13.567 -2.653 -3.770 1.00 0.00 C ATOM 330 ND1 HIS A 123 -14.196 -2.250 -2.610 1.00 0.00 N ATOM 331 CD2 HIS A 123 -13.458 -3.999 -3.689 1.00 0.00 C ATOM 332 CE1 HIS A 123 -14.453 -3.308 -1.861 1.00 0.00 C ATOM 333 NE2 HIS A 123 -14.016 -4.382 -2.493 1.00 0.00 N ATOM 0 H HIS A 123 -11.045 -3.212 -3.842 1.00 0.00 H new ATOM 0 HA HIS A 123 -11.361 -1.096 -5.889 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -13.609 -0.732 -4.665 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -13.495 -2.059 -5.804 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -13.015 -4.651 -4.427 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -14.938 -3.296 -0.896 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -14.082 -5.340 -2.149 1.00 0.00 H new ATOM 341 N LEU A 124 -11.652 0.715 -3.937 1.00 0.00 N ATOM 342 CA LEU A 124 -11.296 1.753 -2.974 1.00 0.00 C ATOM 343 C LEU A 124 -11.628 1.313 -1.553 1.00 0.00 C ATOM 344 O LEU A 124 -10.826 1.487 -0.636 1.00 0.00 O ATOM 345 CB LEU A 124 -12.031 3.053 -3.304 1.00 0.00 C ATOM 346 CG LEU A 124 -11.700 4.255 -2.417 1.00 0.00 C ATOM 347 CD1 LEU A 124 -10.218 4.588 -2.503 1.00 0.00 C ATOM 348 CD2 LEU A 124 -12.543 5.458 -2.812 1.00 0.00 C ATOM 0 H LEU A 124 -12.290 1.021 -4.671 1.00 0.00 H new ATOM 0 HA LEU A 124 -10.221 1.924 -3.039 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -11.812 3.319 -4.338 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -13.103 2.866 -3.243 1.00 0.00 H new ATOM 0 HG LEU A 124 -11.935 3.997 -1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -10.000 5.445 -1.866 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -9.633 3.731 -2.170 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -9.958 4.827 -3.534 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -12.294 6.303 -2.170 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -12.341 5.719 -3.851 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -13.599 5.215 -2.698 1.00 0.00 H new ATOM 360 N GLN A 125 -12.816 0.742 -1.377 1.00 0.00 N ATOM 361 CA GLN A 125 -13.251 0.275 -0.067 1.00 0.00 C ATOM 362 C GLN A 125 -12.366 -0.863 0.430 1.00 0.00 C ATOM 363 O GLN A 125 -12.080 -0.966 1.622 1.00 0.00 O ATOM 364 CB GLN A 125 -14.709 -0.186 -0.125 1.00 0.00 C ATOM 365 CG GLN A 125 -15.429 -0.097 1.211 1.00 0.00 C ATOM 366 CD GLN A 125 -16.601 -1.054 1.307 1.00 0.00 C ATOM 367 OE1 GLN A 125 -16.942 -1.735 0.339 1.00 0.00 O ATOM 368 NE2 GLN A 125 -17.224 -1.112 2.478 1.00 0.00 N ATOM 0 H GLN A 125 -13.493 0.592 -2.125 1.00 0.00 H new ATOM 0 HA GLN A 125 -13.166 1.107 0.632 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -15.244 0.419 -0.857 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -14.742 -1.217 -0.478 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -14.724 -0.310 2.014 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -15.784 0.923 1.361 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -16.908 -0.530 3.253 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -18.019 -1.739 2.602 1.00 0.00 H new ATOM 377 N ALA A 126 -11.935 -1.716 -0.494 1.00 0.00 N ATOM 378 CA ALA A 126 -11.080 -2.846 -0.151 1.00 0.00 C ATOM 379 C ALA A 126 -9.701 -2.374 0.300 1.00 0.00 C ATOM 380 O ALA A 126 -9.195 -2.807 1.334 1.00 0.00 O ATOM 381 CB ALA A 126 -10.956 -3.793 -1.335 1.00 0.00 C ATOM 0 H ALA A 126 -12.164 -1.646 -1.486 1.00 0.00 H new ATOM 0 HA ALA A 126 -11.541 -3.380 0.680 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -10.315 -4.632 -1.064 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -11.943 -4.165 -1.609 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -10.521 -3.262 -2.182 1.00 0.00 H new ATOM 387 N ALA A 127 -9.100 -1.486 -0.485 1.00 0.00 N ATOM 388 CA ALA A 127 -7.781 -0.955 -0.166 1.00 0.00 C ATOM 389 C ALA A 127 -7.809 -0.159 1.135 1.00 0.00 C ATOM 390 O ALA A 127 -6.913 -0.284 1.970 1.00 0.00 O ATOM 391 CB ALA A 127 -7.271 -0.089 -1.307 1.00 0.00 C ATOM 0 H ALA A 127 -9.506 -1.119 -1.346 1.00 0.00 H new ATOM 0 HA ALA A 127 -7.101 -1.796 -0.031 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -6.285 0.301 -1.055 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -7.203 -0.687 -2.216 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -7.959 0.741 -1.469 1.00 0.00 H new ATOM 397 N VAL A 128 -8.842 0.660 1.298 1.00 0.00 N ATOM 398 CA VAL A 128 -8.987 1.477 2.498 1.00 0.00 C ATOM 399 C VAL A 128 -9.203 0.609 3.731 1.00 0.00 C ATOM 400 O VAL A 128 -8.569 0.813 4.766 1.00 0.00 O ATOM 401 CB VAL A 128 -10.162 2.464 2.366 1.00 0.00 C ATOM 402 CG1 VAL A 128 -10.311 3.291 3.633 1.00 0.00 C ATOM 403 CG2 VAL A 128 -9.970 3.362 1.153 1.00 0.00 C ATOM 0 H VAL A 128 -9.591 0.776 0.615 1.00 0.00 H new ATOM 0 HA VAL A 128 -8.060 2.040 2.612 1.00 0.00 H new ATOM 0 HB VAL A 128 -11.079 1.892 2.225 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -11.146 3.982 3.520 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -10.499 2.630 4.479 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -9.395 3.855 3.809 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -10.809 4.053 1.075 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -9.044 3.927 1.261 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -9.919 2.751 0.252 1.00 0.00 H new ATOM 413 N ALA A 129 -10.103 -0.363 3.615 1.00 0.00 N ATOM 414 CA ALA A 129 -10.400 -1.265 4.721 1.00 0.00 C ATOM 415 C ALA A 129 -9.164 -2.056 5.133 1.00 0.00 C ATOM 416 O ALA A 129 -8.929 -2.287 6.319 1.00 0.00 O ATOM 417 CB ALA A 129 -11.532 -2.210 4.340 1.00 0.00 C ATOM 0 H ALA A 129 -10.639 -0.545 2.766 1.00 0.00 H new ATOM 0 HA ALA A 129 -10.714 -0.663 5.574 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -11.744 -2.879 5.174 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -12.425 -1.631 4.102 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -11.238 -2.797 3.470 1.00 0.00 H new ATOM 423 N PHE A 130 -8.375 -2.469 4.146 1.00 0.00 N ATOM 424 CA PHE A 130 -7.163 -3.236 4.405 1.00 0.00 C ATOM 425 C PHE A 130 -6.148 -2.403 5.183 1.00 0.00 C ATOM 426 O PHE A 130 -5.485 -2.901 6.093 1.00 0.00 O ATOM 427 CB PHE A 130 -6.545 -3.716 3.090 1.00 0.00 C ATOM 428 CG PHE A 130 -7.311 -4.834 2.441 1.00 0.00 C ATOM 429 CD1 PHE A 130 -7.736 -5.923 3.184 1.00 0.00 C ATOM 430 CD2 PHE A 130 -7.605 -4.795 1.088 1.00 0.00 C ATOM 431 CE1 PHE A 130 -8.440 -6.953 2.590 1.00 0.00 C ATOM 432 CE2 PHE A 130 -8.310 -5.821 0.489 1.00 0.00 C ATOM 433 CZ PHE A 130 -8.727 -6.902 1.240 1.00 0.00 C ATOM 0 H PHE A 130 -8.554 -2.285 3.159 1.00 0.00 H new ATOM 0 HA PHE A 130 -7.434 -4.103 5.008 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -6.486 -2.876 2.397 1.00 0.00 H new ATOM 0 HB3 PHE A 130 -5.523 -4.047 3.277 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -7.515 -5.968 4.240 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -7.280 -3.953 0.495 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -8.765 -7.797 3.181 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -8.535 -5.778 -0.566 1.00 0.00 H new ATOM 0 HZ PHE A 130 -9.276 -7.706 0.773 1.00 0.00 H new ATOM 443 N VAL A 131 -6.033 -1.130 4.817 1.00 0.00 N ATOM 444 CA VAL A 131 -5.100 -0.226 5.478 1.00 0.00 C ATOM 445 C VAL A 131 -5.435 -0.077 6.958 1.00 0.00 C ATOM 446 O VAL A 131 -4.580 -0.276 7.820 1.00 0.00 O ATOM 447 CB VAL A 131 -5.105 1.167 4.820 1.00 0.00 C ATOM 448 CG1 VAL A 131 -4.035 2.053 5.438 1.00 0.00 C ATOM 449 CG2 VAL A 131 -4.907 1.046 3.316 1.00 0.00 C ATOM 0 H VAL A 131 -6.575 -0.702 4.066 1.00 0.00 H new ATOM 0 HA VAL A 131 -4.108 -0.665 5.374 1.00 0.00 H new ATOM 0 HB VAL A 131 -6.075 1.631 4.999 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -4.054 3.033 4.961 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -4.227 2.165 6.505 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -3.056 1.597 5.292 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -4.913 2.039 2.867 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -3.952 0.562 3.113 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -5.714 0.450 2.890 1.00 0.00 H new ATOM 459 N GLU A 132 -6.685 0.271 7.245 1.00 0.00 N ATOM 460 CA GLU A 132 -7.133 0.447 8.621 1.00 0.00 C ATOM 461 C GLU A 132 -7.026 -0.862 9.399 1.00 0.00 C ATOM 462 O GLU A 132 -6.849 -0.859 10.616 1.00 0.00 O ATOM 463 CB GLU A 132 -8.576 0.955 8.651 1.00 0.00 C ATOM 464 CG GLU A 132 -8.725 2.394 8.189 1.00 0.00 C ATOM 465 CD GLU A 132 -10.131 2.926 8.382 1.00 0.00 C ATOM 466 OE1 GLU A 132 -10.439 3.401 9.495 1.00 0.00 O ATOM 467 OE2 GLU A 132 -10.924 2.867 7.418 1.00 0.00 O ATOM 0 H GLU A 132 -7.406 0.437 6.543 1.00 0.00 H new ATOM 0 HA GLU A 132 -6.486 1.186 9.095 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -9.191 0.314 8.019 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -8.962 0.867 9.666 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -8.024 3.022 8.739 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -8.456 2.463 7.135 1.00 0.00 H new ATOM 474 N GLN A 133 -7.136 -1.978 8.685 1.00 0.00 N ATOM 475 CA GLN A 133 -7.052 -3.294 9.308 1.00 0.00 C ATOM 476 C GLN A 133 -5.598 -3.710 9.510 1.00 0.00 C ATOM 477 O GLN A 133 -5.312 -4.860 9.837 1.00 0.00 O ATOM 478 CB GLN A 133 -7.778 -4.333 8.452 1.00 0.00 C ATOM 479 CG GLN A 133 -9.292 -4.197 8.485 1.00 0.00 C ATOM 480 CD GLN A 133 -9.978 -5.064 7.447 1.00 0.00 C ATOM 481 OE1 GLN A 133 -9.440 -6.086 7.021 1.00 0.00 O ATOM 482 NE2 GLN A 133 -11.174 -4.660 7.034 1.00 0.00 N ATOM 0 H GLN A 133 -7.283 -1.997 7.676 1.00 0.00 H new ATOM 0 HA GLN A 133 -7.533 -3.237 10.285 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -7.436 -4.245 7.421 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -7.503 -5.330 8.795 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -9.656 -4.467 9.476 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -9.563 -3.154 8.319 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -11.583 -3.806 7.414 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -11.683 -5.204 6.337 1.00 0.00 H new ATOM 491 N GLY A 134 -4.685 -2.765 9.312 1.00 0.00 N ATOM 492 CA GLY A 134 -3.272 -3.053 9.476 1.00 0.00 C ATOM 493 C GLY A 134 -2.835 -4.275 8.694 1.00 0.00 C ATOM 494 O GLY A 134 -2.023 -5.069 9.170 1.00 0.00 O ATOM 0 H GLY A 134 -4.898 -1.805 9.041 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -2.689 -2.191 9.153 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -3.056 -3.206 10.533 1.00 0.00 H new ATOM 498 N HIS A 135 -3.375 -4.430 7.488 1.00 0.00 N ATOM 499 CA HIS A 135 -3.037 -5.566 6.638 1.00 0.00 C ATOM 500 C HIS A 135 -1.857 -5.233 5.730 1.00 0.00 C ATOM 501 O HIS A 135 -1.162 -6.125 5.245 1.00 0.00 O ATOM 502 CB HIS A 135 -4.244 -5.976 5.795 1.00 0.00 C ATOM 503 CG HIS A 135 -5.133 -6.976 6.469 1.00 0.00 C ATOM 504 ND1 HIS A 135 -4.690 -8.211 6.893 1.00 0.00 N ATOM 505 CD2 HIS A 135 -6.446 -6.918 6.792 1.00 0.00 C ATOM 506 CE1 HIS A 135 -5.692 -8.869 7.446 1.00 0.00 C ATOM 507 NE2 HIS A 135 -6.769 -8.107 7.399 1.00 0.00 N ATOM 0 H HIS A 135 -4.048 -3.783 7.078 1.00 0.00 H new ATOM 0 HA HIS A 135 -2.754 -6.398 7.282 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -4.827 -5.087 5.554 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -3.893 -6.392 4.851 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -7.115 -6.091 6.607 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -5.640 -9.863 7.866 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -7.691 -8.360 7.755 1.00 0.00 H new ATOM 515 N VAL A 136 -1.637 -3.941 5.504 1.00 0.00 N ATOM 516 CA VAL A 136 -0.540 -3.490 4.655 1.00 0.00 C ATOM 517 C VAL A 136 0.414 -2.584 5.425 1.00 0.00 C ATOM 518 O VAL A 136 -0.015 -1.697 6.163 1.00 0.00 O ATOM 519 CB VAL A 136 -1.063 -2.735 3.419 1.00 0.00 C ATOM 520 CG1 VAL A 136 0.075 -2.436 2.455 1.00 0.00 C ATOM 521 CG2 VAL A 136 -2.160 -3.533 2.732 1.00 0.00 C ATOM 0 H VAL A 136 -2.203 -3.189 5.897 1.00 0.00 H new ATOM 0 HA VAL A 136 -0.004 -4.381 4.328 1.00 0.00 H new ATOM 0 HB VAL A 136 -1.488 -1.786 3.747 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -0.314 -1.902 1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 136 0.823 -1.820 2.955 1.00 0.00 H new ATOM 0 HG13 VAL A 136 0.532 -3.371 2.131 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -2.518 -2.984 1.861 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -1.764 -4.498 2.416 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -2.985 -3.689 3.426 1.00 0.00 H new ATOM 531 N ARG A 137 1.711 -2.813 5.246 1.00 0.00 N ATOM 532 CA ARG A 137 2.727 -2.018 5.924 1.00 0.00 C ATOM 533 C ARG A 137 3.704 -1.412 4.920 1.00 0.00 C ATOM 534 O ARG A 137 3.860 -1.917 3.808 1.00 0.00 O ATOM 535 CB ARG A 137 3.488 -2.878 6.935 1.00 0.00 C ATOM 536 CG ARG A 137 4.423 -3.890 6.293 1.00 0.00 C ATOM 537 CD ARG A 137 5.622 -4.182 7.182 1.00 0.00 C ATOM 538 NE ARG A 137 6.208 -5.489 6.897 1.00 0.00 N ATOM 539 CZ ARG A 137 7.445 -5.830 7.242 1.00 0.00 C ATOM 540 NH1 ARG A 137 8.220 -4.966 7.881 1.00 0.00 N ATOM 541 NH2 ARG A 137 7.908 -7.038 6.945 1.00 0.00 N ATOM 0 H ARG A 137 2.082 -3.542 4.637 1.00 0.00 H new ATOM 0 HA ARG A 137 2.225 -1.207 6.451 1.00 0.00 H new ATOM 0 HB2 ARG A 137 4.066 -2.227 7.591 1.00 0.00 H new ATOM 0 HB3 ARG A 137 2.770 -3.406 7.563 1.00 0.00 H new ATOM 0 HG2 ARG A 137 3.881 -4.815 6.096 1.00 0.00 H new ATOM 0 HG3 ARG A 137 4.766 -3.511 5.330 1.00 0.00 H new ATOM 0 HD2 ARG A 137 6.376 -3.408 7.040 1.00 0.00 H new ATOM 0 HD3 ARG A 137 5.317 -4.142 8.228 1.00 0.00 H new ATOM 0 HE ARG A 137 5.637 -6.177 6.407 1.00 0.00 H new ATOM 0 HH11 ARG A 137 7.867 -4.036 8.109 1.00 0.00 H new ATOM 0 HH12 ARG A 137 9.169 -5.230 8.145 1.00 0.00 H new ATOM 0 HH21 ARG A 137 7.314 -7.705 6.452 1.00 0.00 H new ATOM 0 HH22 ARG A 137 8.858 -7.300 7.210 1.00 0.00 H new ATOM 555 N VAL A 138 4.357 -0.326 5.319 1.00 0.00 N ATOM 556 CA VAL A 138 5.319 0.349 4.455 1.00 0.00 C ATOM 557 C VAL A 138 6.706 0.372 5.089 1.00 0.00 C ATOM 558 O VAL A 138 6.928 1.044 6.096 1.00 0.00 O ATOM 559 CB VAL A 138 4.881 1.793 4.149 1.00 0.00 C ATOM 560 CG1 VAL A 138 5.914 2.491 3.279 1.00 0.00 C ATOM 561 CG2 VAL A 138 3.513 1.806 3.484 1.00 0.00 C ATOM 0 H VAL A 138 4.238 0.106 6.235 1.00 0.00 H new ATOM 0 HA VAL A 138 5.359 -0.215 3.523 1.00 0.00 H new ATOM 0 HB VAL A 138 4.806 2.339 5.090 1.00 0.00 H new ATOM 0 HG11 VAL A 138 5.587 3.510 3.073 1.00 0.00 H new ATOM 0 HG12 VAL A 138 6.872 2.515 3.799 1.00 0.00 H new ATOM 0 HG13 VAL A 138 6.025 1.949 2.340 1.00 0.00 H new ATOM 0 HG21 VAL A 138 3.220 2.835 3.275 1.00 0.00 H new ATOM 0 HG22 VAL A 138 3.557 1.245 2.551 1.00 0.00 H new ATOM 0 HG23 VAL A 138 2.781 1.348 4.149 1.00 0.00 H new ATOM 571 N GLY A 139 7.636 -0.366 4.491 1.00 0.00 N ATOM 572 CA GLY A 139 8.990 -0.416 5.010 1.00 0.00 C ATOM 573 C GLY A 139 9.038 -0.838 6.466 1.00 0.00 C ATOM 574 O GLY A 139 8.200 -1.606 6.940 1.00 0.00 O ATOM 0 H GLY A 139 7.476 -0.930 3.656 1.00 0.00 H new ATOM 0 HA2 GLY A 139 9.579 -1.113 4.413 1.00 0.00 H new ATOM 0 HA3 GLY A 139 9.453 0.565 4.904 1.00 0.00 H new ATOM 578 N PRO A 140 10.039 -0.332 7.200 1.00 0.00 N ATOM 579 CA PRO A 140 10.218 -0.649 8.620 1.00 0.00 C ATOM 580 C PRO A 140 9.134 -0.027 9.494 1.00 0.00 C ATOM 581 O PRO A 140 9.169 -0.143 10.719 1.00 0.00 O ATOM 582 CB PRO A 140 11.583 -0.041 8.951 1.00 0.00 C ATOM 583 CG PRO A 140 11.761 1.054 7.956 1.00 0.00 C ATOM 584 CD PRO A 140 11.075 0.588 6.702 1.00 0.00 C ATOM 0 HA PRO A 140 10.156 -1.721 8.808 1.00 0.00 H new ATOM 0 HB2 PRO A 140 11.609 0.343 9.971 1.00 0.00 H new ATOM 0 HB3 PRO A 140 12.377 -0.783 8.870 1.00 0.00 H new ATOM 0 HG2 PRO A 140 11.324 1.985 8.317 1.00 0.00 H new ATOM 0 HG3 PRO A 140 12.818 1.248 7.774 1.00 0.00 H new ATOM 0 HD2 PRO A 140 10.640 1.421 6.149 1.00 0.00 H new ATOM 0 HD3 PRO A 140 11.768 0.085 6.028 1.00 0.00 H new ATOM 592 N ASP A 141 8.171 0.629 8.856 1.00 0.00 N ATOM 593 CA ASP A 141 7.074 1.267 9.575 1.00 0.00 C ATOM 594 C ASP A 141 5.730 0.705 9.125 1.00 0.00 C ATOM 595 O ASP A 141 5.440 0.639 7.931 1.00 0.00 O ATOM 596 CB ASP A 141 7.107 2.780 9.359 1.00 0.00 C ATOM 597 CG ASP A 141 8.343 3.425 9.954 1.00 0.00 C ATOM 598 OD1 ASP A 141 8.492 3.388 11.193 1.00 0.00 O ATOM 599 OD2 ASP A 141 9.161 3.964 9.181 1.00 0.00 O ATOM 0 H ASP A 141 8.128 0.733 7.842 1.00 0.00 H new ATOM 0 HA ASP A 141 7.197 1.057 10.637 1.00 0.00 H new ATOM 0 HB2 ASP A 141 7.069 2.992 8.290 1.00 0.00 H new ATOM 0 HB3 ASP A 141 6.218 3.227 9.804 1.00 0.00 H new ATOM 604 N VAL A 142 4.910 0.299 10.091 1.00 0.00 N ATOM 605 CA VAL A 142 3.596 -0.258 9.795 1.00 0.00 C ATOM 606 C VAL A 142 2.531 0.831 9.772 1.00 0.00 C ATOM 607 O VAL A 142 2.179 1.394 10.810 1.00 0.00 O ATOM 608 CB VAL A 142 3.196 -1.331 10.824 1.00 0.00 C ATOM 609 CG1 VAL A 142 1.752 -1.761 10.615 1.00 0.00 C ATOM 610 CG2 VAL A 142 4.134 -2.526 10.740 1.00 0.00 C ATOM 0 H VAL A 142 5.134 0.346 11.085 1.00 0.00 H new ATOM 0 HA VAL A 142 3.662 -0.718 8.809 1.00 0.00 H new ATOM 0 HB VAL A 142 3.281 -0.901 11.822 1.00 0.00 H new ATOM 0 HG11 VAL A 142 1.488 -2.520 11.352 1.00 0.00 H new ATOM 0 HG12 VAL A 142 1.095 -0.899 10.731 1.00 0.00 H new ATOM 0 HG13 VAL A 142 1.637 -2.173 9.613 1.00 0.00 H new ATOM 0 HG21 VAL A 142 3.836 -3.274 11.474 1.00 0.00 H new ATOM 0 HG22 VAL A 142 4.084 -2.958 9.741 1.00 0.00 H new ATOM 0 HG23 VAL A 142 5.155 -2.203 10.945 1.00 0.00 H new ATOM 620 N VAL A 143 2.017 1.125 8.582 1.00 0.00 N ATOM 621 CA VAL A 143 0.988 2.146 8.423 1.00 0.00 C ATOM 622 C VAL A 143 -0.398 1.579 8.701 1.00 0.00 C ATOM 623 O VAL A 143 -0.763 0.520 8.186 1.00 0.00 O ATOM 624 CB VAL A 143 1.010 2.750 7.006 1.00 0.00 C ATOM 625 CG1 VAL A 143 0.000 3.881 6.892 1.00 0.00 C ATOM 626 CG2 VAL A 143 2.408 3.236 6.656 1.00 0.00 C ATOM 0 H VAL A 143 2.297 0.670 7.713 1.00 0.00 H new ATOM 0 HA VAL A 143 1.207 2.930 9.147 1.00 0.00 H new ATOM 0 HB VAL A 143 0.731 1.973 6.294 1.00 0.00 H new ATOM 0 HG11 VAL A 143 0.030 4.295 5.884 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -1.000 3.498 7.097 1.00 0.00 H new ATOM 0 HG13 VAL A 143 0.245 4.661 7.613 1.00 0.00 H new ATOM 0 HG21 VAL A 143 2.405 3.660 5.652 1.00 0.00 H new ATOM 0 HG22 VAL A 143 2.718 3.999 7.371 1.00 0.00 H new ATOM 0 HG23 VAL A 143 3.105 2.399 6.695 1.00 0.00 H new ATOM 636 N THR A 144 -1.170 2.288 9.518 1.00 0.00 N ATOM 637 CA THR A 144 -2.518 1.854 9.865 1.00 0.00 C ATOM 638 C THR A 144 -3.549 2.913 9.492 1.00 0.00 C ATOM 639 O THR A 144 -4.507 3.147 10.230 1.00 0.00 O ATOM 640 CB THR A 144 -2.638 1.543 11.369 1.00 0.00 C ATOM 641 OG1 THR A 144 -1.984 2.562 12.133 1.00 0.00 O ATOM 642 CG2 THR A 144 -2.028 0.188 11.692 1.00 0.00 C ATOM 0 H THR A 144 -0.885 3.166 9.952 1.00 0.00 H new ATOM 0 HA THR A 144 -2.714 0.944 9.297 1.00 0.00 H new ATOM 0 HB THR A 144 -3.696 1.517 11.629 1.00 0.00 H new ATOM 0 HG1 THR A 144 -2.066 2.358 13.088 1.00 0.00 H new ATOM 0 HG21 THR A 144 -2.125 -0.009 12.760 1.00 0.00 H new ATOM 0 HG22 THR A 144 -2.548 -0.588 11.131 1.00 0.00 H new ATOM 0 HG23 THR A 144 -0.973 0.189 11.417 1.00 0.00 H new ATOM 650 N ASP A 145 -3.348 3.550 8.345 1.00 0.00 N ATOM 651 CA ASP A 145 -4.263 4.584 7.873 1.00 0.00 C ATOM 652 C ASP A 145 -4.139 4.771 6.364 1.00 0.00 C ATOM 653 O ASP A 145 -3.042 4.839 5.810 1.00 0.00 O ATOM 654 CB ASP A 145 -3.983 5.907 8.588 1.00 0.00 C ATOM 655 CG ASP A 145 -5.218 6.779 8.694 1.00 0.00 C ATOM 656 OD1 ASP A 145 -5.514 7.510 7.726 1.00 0.00 O ATOM 657 OD2 ASP A 145 -5.888 6.732 9.746 1.00 0.00 O ATOM 0 H ASP A 145 -2.560 3.369 7.724 1.00 0.00 H new ATOM 0 HA ASP A 145 -5.281 4.266 8.099 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -3.599 5.703 9.587 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -3.204 6.449 8.052 1.00 0.00 H new ATOM 662 N PRO A 146 -5.292 4.856 5.682 1.00 0.00 N ATOM 663 CA PRO A 146 -5.339 5.036 4.228 1.00 0.00 C ATOM 664 C PRO A 146 -4.870 6.423 3.800 1.00 0.00 C ATOM 665 O PRO A 146 -4.436 6.618 2.665 1.00 0.00 O ATOM 666 CB PRO A 146 -6.821 4.848 3.896 1.00 0.00 C ATOM 667 CG PRO A 146 -7.539 5.204 5.152 1.00 0.00 C ATOM 668 CD PRO A 146 -6.636 4.784 6.279 1.00 0.00 C ATOM 0 HA PRO A 146 -4.679 4.340 3.710 1.00 0.00 H new ATOM 0 HB2 PRO A 146 -7.126 5.490 3.070 1.00 0.00 H new ATOM 0 HB3 PRO A 146 -7.032 3.822 3.597 1.00 0.00 H new ATOM 0 HG2 PRO A 146 -7.744 6.274 5.194 1.00 0.00 H new ATOM 0 HG3 PRO A 146 -8.500 4.693 5.211 1.00 0.00 H new ATOM 0 HD2 PRO A 146 -6.730 5.448 7.139 1.00 0.00 H new ATOM 0 HD3 PRO A 146 -6.868 3.777 6.627 1.00 0.00 H new ATOM 676 N ALA A 147 -4.958 7.381 4.715 1.00 0.00 N ATOM 677 CA ALA A 147 -4.541 8.749 4.433 1.00 0.00 C ATOM 678 C ALA A 147 -3.020 8.866 4.418 1.00 0.00 C ATOM 679 O ALA A 147 -2.474 9.963 4.299 1.00 0.00 O ATOM 680 CB ALA A 147 -5.137 9.705 5.455 1.00 0.00 C ATOM 0 H ALA A 147 -5.315 7.235 5.659 1.00 0.00 H new ATOM 0 HA ALA A 147 -4.910 9.019 3.444 1.00 0.00 H new ATOM 0 HB1 ALA A 147 -4.817 10.723 5.231 1.00 0.00 H new ATOM 0 HB2 ALA A 147 -6.225 9.650 5.414 1.00 0.00 H new ATOM 0 HB3 ALA A 147 -4.797 9.429 6.453 1.00 0.00 H new ATOM 686 N PHE A 148 -2.343 7.729 4.542 1.00 0.00 N ATOM 687 CA PHE A 148 -0.885 7.705 4.545 1.00 0.00 C ATOM 688 C PHE A 148 -0.332 8.032 3.161 1.00 0.00 C ATOM 689 O PHE A 148 -0.719 7.419 2.165 1.00 0.00 O ATOM 690 CB PHE A 148 -0.377 6.335 4.999 1.00 0.00 C ATOM 691 CG PHE A 148 1.117 6.200 4.940 1.00 0.00 C ATOM 692 CD1 PHE A 148 1.919 6.810 5.892 1.00 0.00 C ATOM 693 CD2 PHE A 148 1.721 5.462 3.935 1.00 0.00 C ATOM 694 CE1 PHE A 148 3.294 6.688 5.840 1.00 0.00 C ATOM 695 CE2 PHE A 148 3.096 5.336 3.878 1.00 0.00 C ATOM 696 CZ PHE A 148 3.884 5.949 4.833 1.00 0.00 C ATOM 0 H PHE A 148 -2.780 6.813 4.642 1.00 0.00 H new ATOM 0 HA PHE A 148 -0.536 8.464 5.245 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -0.710 6.153 6.021 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -0.828 5.564 4.375 1.00 0.00 H new ATOM 0 HD1 PHE A 148 1.464 7.387 6.683 1.00 0.00 H new ATOM 0 HD2 PHE A 148 1.110 4.979 3.187 1.00 0.00 H new ATOM 0 HE1 PHE A 148 3.908 7.170 6.586 1.00 0.00 H new ATOM 0 HE2 PHE A 148 3.554 4.759 3.088 1.00 0.00 H new ATOM 0 HZ PHE A 148 4.959 5.851 4.792 1.00 0.00 H new ATOM 706 N LEU A 149 0.573 9.002 3.105 1.00 0.00 N ATOM 707 CA LEU A 149 1.180 9.412 1.844 1.00 0.00 C ATOM 708 C LEU A 149 2.406 8.562 1.527 1.00 0.00 C ATOM 709 O LEU A 149 3.205 8.253 2.412 1.00 0.00 O ATOM 710 CB LEU A 149 1.569 10.890 1.899 1.00 0.00 C ATOM 711 CG LEU A 149 0.423 11.879 2.112 1.00 0.00 C ATOM 712 CD1 LEU A 149 0.963 13.288 2.304 1.00 0.00 C ATOM 713 CD2 LEU A 149 -0.546 11.832 0.940 1.00 0.00 C ATOM 0 H LEU A 149 0.903 9.520 3.919 1.00 0.00 H new ATOM 0 HA LEU A 149 0.446 9.266 1.052 1.00 0.00 H new ATOM 0 HB2 LEU A 149 2.293 11.025 2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 149 2.075 11.147 0.968 1.00 0.00 H new ATOM 0 HG LEU A 149 -0.116 11.593 3.015 1.00 0.00 H new ATOM 0 HD11 LEU A 149 0.133 13.978 2.454 1.00 0.00 H new ATOM 0 HD12 LEU A 149 1.617 13.311 3.176 1.00 0.00 H new ATOM 0 HD13 LEU A 149 1.527 13.585 1.420 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -1.355 12.542 1.108 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -0.020 12.093 0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -0.958 10.827 0.849 1.00 0.00 H new ATOM 725 N VAL A 150 2.551 8.188 0.260 1.00 0.00 N ATOM 726 CA VAL A 150 3.682 7.377 -0.174 1.00 0.00 C ATOM 727 C VAL A 150 4.351 7.980 -1.405 1.00 0.00 C ATOM 728 O VAL A 150 3.679 8.466 -2.315 1.00 0.00 O ATOM 729 CB VAL A 150 3.248 5.935 -0.494 1.00 0.00 C ATOM 730 CG1 VAL A 150 4.354 5.196 -1.233 1.00 0.00 C ATOM 731 CG2 VAL A 150 2.864 5.200 0.781 1.00 0.00 C ATOM 0 H VAL A 150 1.899 8.434 -0.485 1.00 0.00 H new ATOM 0 HA VAL A 150 4.394 7.360 0.651 1.00 0.00 H new ATOM 0 HB VAL A 150 2.373 5.972 -1.143 1.00 0.00 H new ATOM 0 HG11 VAL A 150 4.029 4.179 -1.451 1.00 0.00 H new ATOM 0 HG12 VAL A 150 4.577 5.713 -2.166 1.00 0.00 H new ATOM 0 HG13 VAL A 150 5.249 5.166 -0.612 1.00 0.00 H new ATOM 0 HG21 VAL A 150 2.560 4.182 0.537 1.00 0.00 H new ATOM 0 HG22 VAL A 150 3.719 5.171 1.456 1.00 0.00 H new ATOM 0 HG23 VAL A 150 2.037 5.719 1.265 1.00 0.00 H new ATOM 741 N THR A 151 5.680 7.946 -1.426 1.00 0.00 N ATOM 742 CA THR A 151 6.441 8.489 -2.544 1.00 0.00 C ATOM 743 C THR A 151 6.913 7.380 -3.478 1.00 0.00 C ATOM 744 O THR A 151 6.938 6.208 -3.102 1.00 0.00 O ATOM 745 CB THR A 151 7.662 9.290 -2.056 1.00 0.00 C ATOM 746 OG1 THR A 151 8.287 9.953 -3.161 1.00 0.00 O ATOM 747 CG2 THR A 151 8.669 8.377 -1.372 1.00 0.00 C ATOM 0 H THR A 151 6.251 7.548 -0.681 1.00 0.00 H new ATOM 0 HA THR A 151 5.772 9.157 -3.087 1.00 0.00 H new ATOM 0 HB THR A 151 7.318 10.032 -1.335 1.00 0.00 H new ATOM 0 HG1 THR A 151 9.062 10.462 -2.842 1.00 0.00 H new ATOM 0 HG21 THR A 151 9.523 8.965 -1.036 1.00 0.00 H new ATOM 0 HG22 THR A 151 8.199 7.895 -0.514 1.00 0.00 H new ATOM 0 HG23 THR A 151 9.007 7.616 -2.076 1.00 0.00 H new ATOM 755 N ARG A 152 7.289 7.758 -4.695 1.00 0.00 N ATOM 756 CA ARG A 152 7.761 6.795 -5.683 1.00 0.00 C ATOM 757 C ARG A 152 8.880 5.932 -5.107 1.00 0.00 C ATOM 758 O ARG A 152 9.010 4.757 -5.453 1.00 0.00 O ATOM 759 CB ARG A 152 8.253 7.519 -6.937 1.00 0.00 C ATOM 760 CG ARG A 152 8.404 6.609 -8.145 1.00 0.00 C ATOM 761 CD ARG A 152 7.105 6.500 -8.927 1.00 0.00 C ATOM 762 NE ARG A 152 7.327 6.050 -10.298 1.00 0.00 N ATOM 763 CZ ARG A 152 7.475 4.775 -10.638 1.00 0.00 C ATOM 764 NH1 ARG A 152 7.423 3.828 -9.711 1.00 0.00 N ATOM 765 NH2 ARG A 152 7.674 4.443 -11.908 1.00 0.00 N ATOM 0 H ARG A 152 7.276 8.724 -5.021 1.00 0.00 H new ATOM 0 HA ARG A 152 6.927 6.147 -5.951 1.00 0.00 H new ATOM 0 HB2 ARG A 152 7.555 8.320 -7.181 1.00 0.00 H new ATOM 0 HB3 ARG A 152 9.214 7.987 -6.723 1.00 0.00 H new ATOM 0 HG2 ARG A 152 9.190 6.993 -8.795 1.00 0.00 H new ATOM 0 HG3 ARG A 152 8.717 5.618 -7.818 1.00 0.00 H new ATOM 0 HD2 ARG A 152 6.435 5.805 -8.421 1.00 0.00 H new ATOM 0 HD3 ARG A 152 6.607 7.470 -8.940 1.00 0.00 H new ATOM 0 HE ARG A 152 7.371 6.754 -11.035 1.00 0.00 H new ATOM 0 HH11 ARG A 152 7.269 4.078 -8.734 1.00 0.00 H new ATOM 0 HH12 ARG A 152 7.537 2.849 -9.975 1.00 0.00 H new ATOM 0 HH21 ARG A 152 7.713 5.168 -12.624 1.00 0.00 H new ATOM 0 HH22 ARG A 152 7.787 3.463 -12.167 1.00 0.00 H new ATOM 779 N SER A 153 9.684 6.522 -4.231 1.00 0.00 N ATOM 780 CA SER A 153 10.795 5.808 -3.611 1.00 0.00 C ATOM 781 C SER A 153 10.295 4.868 -2.519 1.00 0.00 C ATOM 782 O SER A 153 10.841 3.783 -2.320 1.00 0.00 O ATOM 783 CB SER A 153 11.802 6.800 -3.025 1.00 0.00 C ATOM 784 OG SER A 153 12.861 6.123 -2.368 1.00 0.00 O ATOM 0 H SER A 153 9.588 7.493 -3.933 1.00 0.00 H new ATOM 0 HA SER A 153 11.287 5.213 -4.380 1.00 0.00 H new ATOM 0 HB2 SER A 153 12.205 7.427 -3.820 1.00 0.00 H new ATOM 0 HB3 SER A 153 11.298 7.462 -2.322 1.00 0.00 H new ATOM 0 HG SER A 153 13.492 6.778 -2.003 1.00 0.00 H new ATOM 790 N MET A 154 9.253 5.294 -1.812 1.00 0.00 N ATOM 791 CA MET A 154 8.677 4.490 -0.740 1.00 0.00 C ATOM 792 C MET A 154 7.735 3.429 -1.301 1.00 0.00 C ATOM 793 O MET A 154 7.364 2.485 -0.604 1.00 0.00 O ATOM 794 CB MET A 154 7.927 5.384 0.250 1.00 0.00 C ATOM 795 CG MET A 154 7.497 4.660 1.516 1.00 0.00 C ATOM 796 SD MET A 154 8.741 4.739 2.819 1.00 0.00 S ATOM 797 CE MET A 154 9.065 2.998 3.084 1.00 0.00 C ATOM 0 H MET A 154 8.791 6.191 -1.962 1.00 0.00 H new ATOM 0 HA MET A 154 9.492 3.987 -0.219 1.00 0.00 H new ATOM 0 HB2 MET A 154 8.564 6.226 0.521 1.00 0.00 H new ATOM 0 HB3 MET A 154 7.045 5.796 -0.241 1.00 0.00 H new ATOM 0 HG2 MET A 154 6.567 5.095 1.881 1.00 0.00 H new ATOM 0 HG3 MET A 154 7.289 3.616 1.280 1.00 0.00 H new ATOM 0 HE1 MET A 154 8.968 2.767 4.145 1.00 0.00 H new ATOM 0 HE2 MET A 154 8.348 2.404 2.517 1.00 0.00 H new ATOM 0 HE3 MET A 154 10.076 2.761 2.752 1.00 0.00 H new ATOM 807 N GLU A 155 7.352 3.593 -2.564 1.00 0.00 N ATOM 808 CA GLU A 155 6.452 2.649 -3.215 1.00 0.00 C ATOM 809 C GLU A 155 7.072 1.257 -3.275 1.00 0.00 C ATOM 810 O GLU A 155 6.395 0.254 -3.049 1.00 0.00 O ATOM 811 CB GLU A 155 6.112 3.129 -4.629 1.00 0.00 C ATOM 812 CG GLU A 155 5.054 4.218 -4.664 1.00 0.00 C ATOM 813 CD GLU A 155 4.386 4.340 -6.021 1.00 0.00 C ATOM 814 OE1 GLU A 155 3.925 3.308 -6.549 1.00 0.00 O ATOM 815 OE2 GLU A 155 4.327 5.468 -6.553 1.00 0.00 O ATOM 0 H GLU A 155 7.650 4.369 -3.155 1.00 0.00 H new ATOM 0 HA GLU A 155 5.537 2.594 -2.626 1.00 0.00 H new ATOM 0 HB2 GLU A 155 7.019 3.500 -5.106 1.00 0.00 H new ATOM 0 HB3 GLU A 155 5.767 2.280 -5.219 1.00 0.00 H new ATOM 0 HG2 GLU A 155 4.297 4.008 -3.908 1.00 0.00 H new ATOM 0 HG3 GLU A 155 5.511 5.172 -4.401 1.00 0.00 H new ATOM 822 N ASP A 156 8.364 1.204 -3.580 1.00 0.00 N ATOM 823 CA ASP A 156 9.078 -0.064 -3.668 1.00 0.00 C ATOM 824 C ASP A 156 9.272 -0.677 -2.284 1.00 0.00 C ATOM 825 O ASP A 156 9.849 -1.755 -2.146 1.00 0.00 O ATOM 826 CB ASP A 156 10.434 0.135 -4.346 1.00 0.00 C ATOM 827 CG ASP A 156 11.060 -1.175 -4.785 1.00 0.00 C ATOM 828 OD1 ASP A 156 10.402 -1.925 -5.536 1.00 0.00 O ATOM 829 OD2 ASP A 156 12.208 -1.449 -4.378 1.00 0.00 O ATOM 0 H ASP A 156 8.938 2.025 -3.771 1.00 0.00 H new ATOM 0 HA ASP A 156 8.478 -0.749 -4.268 1.00 0.00 H new ATOM 0 HB2 ASP A 156 10.312 0.784 -5.213 1.00 0.00 H new ATOM 0 HB3 ASP A 156 11.109 0.645 -3.659 1.00 0.00 H new ATOM 834 N PHE A 157 8.787 0.020 -1.261 1.00 0.00 N ATOM 835 CA PHE A 157 8.909 -0.454 0.112 1.00 0.00 C ATOM 836 C PHE A 157 7.545 -0.844 0.677 1.00 0.00 C ATOM 837 O PHE A 157 7.343 -0.851 1.890 1.00 0.00 O ATOM 838 CB PHE A 157 9.548 0.624 0.992 1.00 0.00 C ATOM 839 CG PHE A 157 11.049 0.620 0.949 1.00 0.00 C ATOM 840 CD1 PHE A 157 11.776 -0.202 1.794 1.00 0.00 C ATOM 841 CD2 PHE A 157 11.733 1.437 0.063 1.00 0.00 C ATOM 842 CE1 PHE A 157 13.158 -0.208 1.759 1.00 0.00 C ATOM 843 CE2 PHE A 157 13.115 1.436 0.022 1.00 0.00 C ATOM 844 CZ PHE A 157 13.828 0.611 0.871 1.00 0.00 C ATOM 0 H PHE A 157 8.306 0.914 -1.357 1.00 0.00 H new ATOM 0 HA PHE A 157 9.548 -1.337 0.109 1.00 0.00 H new ATOM 0 HB2 PHE A 157 9.186 1.602 0.675 1.00 0.00 H new ATOM 0 HB3 PHE A 157 9.222 0.482 2.022 1.00 0.00 H new ATOM 0 HD1 PHE A 157 11.257 -0.846 2.489 1.00 0.00 H new ATOM 0 HD2 PHE A 157 11.180 2.082 -0.603 1.00 0.00 H new ATOM 0 HE1 PHE A 157 13.713 -0.852 2.425 1.00 0.00 H new ATOM 0 HE2 PHE A 157 13.636 2.079 -0.672 1.00 0.00 H new ATOM 0 HZ PHE A 157 14.908 0.607 0.840 1.00 0.00 H new ATOM 854 N VAL A 158 6.614 -1.166 -0.214 1.00 0.00 N ATOM 855 CA VAL A 158 5.270 -1.558 0.192 1.00 0.00 C ATOM 856 C VAL A 158 5.113 -3.074 0.186 1.00 0.00 C ATOM 857 O VAL A 158 5.293 -3.724 -0.844 1.00 0.00 O ATOM 858 CB VAL A 158 4.201 -0.938 -0.728 1.00 0.00 C ATOM 859 CG1 VAL A 158 2.812 -1.415 -0.331 1.00 0.00 C ATOM 860 CG2 VAL A 158 4.284 0.580 -0.693 1.00 0.00 C ATOM 0 H VAL A 158 6.766 -1.163 -1.223 1.00 0.00 H new ATOM 0 HA VAL A 158 5.126 -1.185 1.206 1.00 0.00 H new ATOM 0 HB VAL A 158 4.392 -1.265 -1.750 1.00 0.00 H new ATOM 0 HG11 VAL A 158 2.070 -0.966 -0.992 1.00 0.00 H new ATOM 0 HG12 VAL A 158 2.763 -2.501 -0.414 1.00 0.00 H new ATOM 0 HG13 VAL A 158 2.606 -1.120 0.698 1.00 0.00 H new ATOM 0 HG21 VAL A 158 3.522 1.001 -1.349 1.00 0.00 H new ATOM 0 HG22 VAL A 158 4.120 0.930 0.326 1.00 0.00 H new ATOM 0 HG23 VAL A 158 5.270 0.898 -1.032 1.00 0.00 H new ATOM 870 N THR A 159 4.776 -3.634 1.344 1.00 0.00 N ATOM 871 CA THR A 159 4.596 -5.075 1.472 1.00 0.00 C ATOM 872 C THR A 159 3.429 -5.402 2.398 1.00 0.00 C ATOM 873 O THR A 159 3.035 -4.583 3.229 1.00 0.00 O ATOM 874 CB THR A 159 5.869 -5.754 2.009 1.00 0.00 C ATOM 875 OG1 THR A 159 5.655 -7.165 2.135 1.00 0.00 O ATOM 876 CG2 THR A 159 6.266 -5.174 3.357 1.00 0.00 C ATOM 0 H THR A 159 4.622 -3.111 2.206 1.00 0.00 H new ATOM 0 HA THR A 159 4.383 -5.458 0.474 1.00 0.00 H new ATOM 0 HB THR A 159 6.678 -5.571 1.301 1.00 0.00 H new ATOM 0 HG1 THR A 159 6.470 -7.590 2.475 1.00 0.00 H new ATOM 0 HG21 THR A 159 7.168 -5.670 3.715 1.00 0.00 H new ATOM 0 HG22 THR A 159 6.457 -4.106 3.252 1.00 0.00 H new ATOM 0 HG23 THR A 159 5.458 -5.329 4.072 1.00 0.00 H new ATOM 884 N TRP A 160 2.883 -6.603 2.251 1.00 0.00 N ATOM 885 CA TRP A 160 1.762 -7.039 3.077 1.00 0.00 C ATOM 886 C TRP A 160 2.251 -7.599 4.407 1.00 0.00 C ATOM 887 O TRP A 160 3.300 -8.239 4.474 1.00 0.00 O ATOM 888 CB TRP A 160 0.937 -8.094 2.336 1.00 0.00 C ATOM 889 CG TRP A 160 0.179 -7.542 1.168 1.00 0.00 C ATOM 890 CD1 TRP A 160 0.589 -7.513 -0.135 1.00 0.00 C ATOM 891 CD2 TRP A 160 -1.119 -6.939 1.195 1.00 0.00 C ATOM 892 NE1 TRP A 160 -0.376 -6.927 -0.919 1.00 0.00 N ATOM 893 CE2 TRP A 160 -1.434 -6.568 -0.127 1.00 0.00 C ATOM 894 CE3 TRP A 160 -2.047 -6.679 2.207 1.00 0.00 C ATOM 895 CZ2 TRP A 160 -2.637 -5.950 -0.459 1.00 0.00 C ATOM 896 CZ3 TRP A 160 -3.240 -6.065 1.876 1.00 0.00 C ATOM 897 CH2 TRP A 160 -3.527 -5.707 0.552 1.00 0.00 C ATOM 0 H TRP A 160 3.197 -7.293 1.568 1.00 0.00 H new ATOM 0 HA TRP A 160 1.133 -6.172 3.280 1.00 0.00 H new ATOM 0 HB2 TRP A 160 1.601 -8.885 1.988 1.00 0.00 H new ATOM 0 HB3 TRP A 160 0.234 -8.551 3.033 1.00 0.00 H new ATOM 0 HD1 TRP A 160 1.533 -7.894 -0.496 1.00 0.00 H new ATOM 0 HE1 TRP A 160 -0.314 -6.783 -1.927 1.00 0.00 H new ATOM 0 HE3 TRP A 160 -1.836 -6.953 3.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 160 -2.860 -5.672 -1.479 1.00 0.00 H new ATOM 0 HZ3 TRP A 160 -3.963 -5.858 2.651 1.00 0.00 H new ATOM 0 HH2 TRP A 160 -4.469 -5.230 0.325 1.00 0.00 H new ATOM 908 N VAL A 161 1.484 -7.356 5.465 1.00 0.00 N ATOM 909 CA VAL A 161 1.839 -7.838 6.794 1.00 0.00 C ATOM 910 C VAL A 161 2.046 -9.349 6.794 1.00 0.00 C ATOM 911 O VAL A 161 2.966 -9.860 7.433 1.00 0.00 O ATOM 912 CB VAL A 161 0.756 -7.480 7.829 1.00 0.00 C ATOM 913 CG1 VAL A 161 1.050 -8.148 9.164 1.00 0.00 C ATOM 914 CG2 VAL A 161 0.653 -5.971 7.991 1.00 0.00 C ATOM 0 H VAL A 161 0.612 -6.828 5.427 1.00 0.00 H new ATOM 0 HA VAL A 161 2.772 -7.346 7.070 1.00 0.00 H new ATOM 0 HB VAL A 161 -0.203 -7.851 7.468 1.00 0.00 H new ATOM 0 HG11 VAL A 161 0.274 -7.883 9.882 1.00 0.00 H new ATOM 0 HG12 VAL A 161 1.069 -9.230 9.033 1.00 0.00 H new ATOM 0 HG13 VAL A 161 2.018 -7.810 9.535 1.00 0.00 H new ATOM 0 HG21 VAL A 161 -0.117 -5.736 8.726 1.00 0.00 H new ATOM 0 HG22 VAL A 161 1.611 -5.575 8.329 1.00 0.00 H new ATOM 0 HG23 VAL A 161 0.391 -5.519 7.034 1.00 0.00 H new