USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=8 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 122 GLN : amide:sc= -4.26! C(o=-8!,f=-10!) USER MOD Set 1.2: A 123 HIS : no HD1:sc= -3.71 X(o=-8,f=-7.8!) 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 -131:sc= -2.44! (180deg=-5.6!) USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 133 GLN : amide:sc= -0.0238 X(o=-0.024,f=0) USER MOD Single : A 135 HIS :FLIP no HD1:sc= -0.884 F(o=-2.4!,f=-0.88) USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD Single : A 151 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 153 SER OG : rot -14:sc= 0.0731! USER MOD Single : A 154 MET CE :methyl 156:sc= 0 (180deg=-0.0459) USER MOD Single : A 159 THR OG1 : rot 180:sc= -0.114 USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 109 1.265 10.032 -2.371 1.00 0.00 N ATOM 67 CA ARG A 109 -0.055 9.498 -2.681 1.00 0.00 C ATOM 68 C ARG A 109 -0.547 8.583 -1.563 1.00 0.00 C ATOM 69 O ARG A 109 0.245 7.904 -0.908 1.00 0.00 O ATOM 70 CB ARG A 109 -0.022 8.731 -4.004 1.00 0.00 C ATOM 71 CG ARG A 109 0.290 9.606 -5.207 1.00 0.00 C ATOM 72 CD ARG A 109 0.113 8.845 -6.510 1.00 0.00 C ATOM 73 NE ARG A 109 0.696 9.557 -7.644 1.00 0.00 N ATOM 74 CZ ARG A 109 0.953 8.988 -8.816 1.00 0.00 C ATOM 75 NH1 ARG A 109 0.680 7.704 -9.008 1.00 0.00 N ATOM 76 NH2 ARG A 109 1.484 9.702 -9.801 1.00 0.00 N ATOM 0 HA ARG A 109 -0.746 10.336 -2.773 1.00 0.00 H new ATOM 0 HB2 ARG A 109 0.725 7.940 -3.937 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -0.986 8.247 -4.158 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -0.363 10.479 -5.203 1.00 0.00 H new ATOM 0 HG3 ARG A 109 1.314 9.973 -5.135 1.00 0.00 H new ATOM 0 HD2 ARG A 109 0.577 7.863 -6.422 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -0.949 8.681 -6.692 1.00 0.00 H new ATOM 0 HE ARG A 109 0.918 10.546 -7.529 1.00 0.00 H new ATOM 0 HH11 ARG A 109 0.272 7.151 -8.254 1.00 0.00 H new ATOM 0 HH12 ARG A 109 0.878 7.270 -9.909 1.00 0.00 H new ATOM 0 HH21 ARG A 109 1.695 10.690 -9.658 1.00 0.00 H new ATOM 0 HH22 ARG A 109 1.681 9.263 -10.700 1.00 0.00 H new ATOM 90 N ARG A 110 -1.859 8.570 -1.349 1.00 0.00 N ATOM 91 CA ARG A 110 -2.456 7.740 -0.310 1.00 0.00 C ATOM 92 C ARG A 110 -2.170 6.262 -0.563 1.00 0.00 C ATOM 93 O ARG A 110 -2.079 5.824 -1.710 1.00 0.00 O ATOM 94 CB ARG A 110 -3.966 7.974 -0.246 1.00 0.00 C ATOM 95 CG ARG A 110 -4.374 9.408 -0.543 1.00 0.00 C ATOM 96 CD ARG A 110 -5.634 9.798 0.212 1.00 0.00 C ATOM 97 NE ARG A 110 -6.414 10.804 -0.506 1.00 0.00 N ATOM 98 CZ ARG A 110 -7.622 11.204 -0.128 1.00 0.00 C ATOM 99 NH1 ARG A 110 -8.188 10.688 0.955 1.00 0.00 N ATOM 100 NH2 ARG A 110 -8.269 12.124 -0.832 1.00 0.00 N ATOM 0 H ARG A 110 -2.529 9.125 -1.882 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.011 8.020 0.644 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -4.458 7.311 -0.957 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -4.326 7.701 0.746 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -3.562 10.082 -0.270 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -4.540 9.526 -1.614 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -6.248 8.912 0.375 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -5.363 10.183 1.195 1.00 0.00 H new ATOM 0 HE ARG A 110 -6.008 11.222 -1.343 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -7.695 9.981 1.501 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -9.116 10.998 1.242 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -7.838 12.525 -1.665 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -9.197 12.430 -0.540 1.00 0.00 H new ATOM 114 N LEU A 111 -2.029 5.500 0.515 1.00 0.00 N ATOM 115 CA LEU A 111 -1.752 4.071 0.412 1.00 0.00 C ATOM 116 C LEU A 111 -2.826 3.368 -0.414 1.00 0.00 C ATOM 117 O LEU A 111 -2.539 2.512 -1.251 1.00 0.00 O ATOM 118 CB LEU A 111 -1.672 3.445 1.804 1.00 0.00 C ATOM 119 CG LEU A 111 -0.920 2.116 1.900 1.00 0.00 C ATOM 120 CD1 LEU A 111 0.529 2.291 1.475 1.00 0.00 C ATOM 121 CD2 LEU A 111 -1.000 1.559 3.314 1.00 0.00 C ATOM 0 H LEU A 111 -2.102 5.847 1.471 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.793 3.947 -0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.194 4.159 2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -2.687 3.293 2.171 1.00 0.00 H new ATOM 0 HG LEU A 111 -1.392 1.404 1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.048 1.335 1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.566 2.644 0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 111 1.014 3.019 2.126 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -0.460 0.614 3.364 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -0.554 2.269 4.010 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -2.044 1.395 3.582 1.00 0.00 H new ATOM 133 N PRO A 112 -4.092 3.738 -0.176 1.00 0.00 N ATOM 134 CA PRO A 112 -5.235 3.156 -0.889 1.00 0.00 C ATOM 135 C PRO A 112 -5.072 3.233 -2.403 1.00 0.00 C ATOM 136 O PRO A 112 -5.370 2.276 -3.118 1.00 0.00 O ATOM 137 CB PRO A 112 -6.413 4.021 -0.433 1.00 0.00 C ATOM 138 CG PRO A 112 -6.004 4.549 0.898 1.00 0.00 C ATOM 139 CD PRO A 112 -4.508 4.752 0.808 1.00 0.00 C ATOM 0 HA PRO A 112 -5.357 2.095 -0.670 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -6.606 4.830 -1.137 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -7.330 3.435 -0.362 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -6.515 5.485 1.123 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -6.258 3.848 1.693 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -4.257 5.760 0.478 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -4.022 4.602 1.772 1.00 0.00 H new ATOM 147 N THR A 113 -4.597 4.377 -2.886 1.00 0.00 N ATOM 148 CA THR A 113 -4.396 4.577 -4.315 1.00 0.00 C ATOM 149 C THR A 113 -3.240 3.728 -4.832 1.00 0.00 C ATOM 150 O THR A 113 -3.333 3.116 -5.897 1.00 0.00 O ATOM 151 CB THR A 113 -4.116 6.057 -4.641 1.00 0.00 C ATOM 152 OG1 THR A 113 -5.211 6.869 -4.209 1.00 0.00 O ATOM 153 CG2 THR A 113 -3.891 6.249 -6.133 1.00 0.00 C ATOM 0 H THR A 113 -4.345 5.179 -2.308 1.00 0.00 H new ATOM 0 HA THR A 113 -5.318 4.271 -4.810 1.00 0.00 H new ATOM 0 HB THR A 113 -3.212 6.358 -4.112 1.00 0.00 H new ATOM 0 HG1 THR A 113 -5.024 7.808 -4.418 1.00 0.00 H new ATOM 0 HG21 THR A 113 -3.695 7.301 -6.339 1.00 0.00 H new ATOM 0 HG22 THR A 113 -3.037 5.652 -6.452 1.00 0.00 H new ATOM 0 HG23 THR A 113 -4.780 5.932 -6.679 1.00 0.00 H new ATOM 161 N VAL A 114 -2.151 3.692 -4.072 1.00 0.00 N ATOM 162 CA VAL A 114 -0.977 2.915 -4.452 1.00 0.00 C ATOM 163 C VAL A 114 -1.319 1.435 -4.590 1.00 0.00 C ATOM 164 O VAL A 114 -0.795 0.746 -5.466 1.00 0.00 O ATOM 165 CB VAL A 114 0.160 3.075 -3.424 1.00 0.00 C ATOM 166 CG1 VAL A 114 1.366 2.244 -3.831 1.00 0.00 C ATOM 167 CG2 VAL A 114 0.537 4.541 -3.273 1.00 0.00 C ATOM 0 H VAL A 114 -2.057 4.192 -3.188 1.00 0.00 H new ATOM 0 HA VAL A 114 -0.641 3.299 -5.415 1.00 0.00 H new ATOM 0 HB VAL A 114 -0.191 2.713 -2.458 1.00 0.00 H new ATOM 0 HG11 VAL A 114 2.159 2.369 -3.094 1.00 0.00 H new ATOM 0 HG12 VAL A 114 1.082 1.193 -3.884 1.00 0.00 H new ATOM 0 HG13 VAL A 114 1.722 2.574 -4.807 1.00 0.00 H new ATOM 0 HG21 VAL A 114 1.341 4.637 -2.543 1.00 0.00 H new ATOM 0 HG22 VAL A 114 0.871 4.932 -4.234 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -0.330 5.107 -2.933 1.00 0.00 H new ATOM 177 N LEU A 115 -2.200 0.955 -3.721 1.00 0.00 N ATOM 178 CA LEU A 115 -2.614 -0.444 -3.746 1.00 0.00 C ATOM 179 C LEU A 115 -3.465 -0.739 -4.976 1.00 0.00 C ATOM 180 O LEU A 115 -3.244 -1.728 -5.675 1.00 0.00 O ATOM 181 CB LEU A 115 -3.395 -0.788 -2.476 1.00 0.00 C ATOM 182 CG LEU A 115 -2.561 -1.238 -1.276 1.00 0.00 C ATOM 183 CD1 LEU A 115 -3.348 -1.070 0.014 1.00 0.00 C ATOM 184 CD2 LEU A 115 -2.117 -2.684 -1.448 1.00 0.00 C ATOM 0 H LEU A 115 -2.642 1.513 -2.990 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.717 -1.062 -3.792 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -3.975 0.087 -2.182 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -4.108 -1.578 -2.714 1.00 0.00 H new ATOM 0 HG LEU A 115 -1.672 -0.610 -1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -2.738 -1.395 0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -3.616 -0.021 0.143 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -4.255 -1.673 -0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.525 -2.988 -0.585 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -2.994 -3.326 -1.531 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -1.514 -2.775 -2.352 1.00 0.00 H new ATOM 196 N LEU A 116 -4.439 0.127 -5.235 1.00 0.00 N ATOM 197 CA LEU A 116 -5.324 -0.039 -6.384 1.00 0.00 C ATOM 198 C LEU A 116 -4.540 0.029 -7.690 1.00 0.00 C ATOM 199 O LEU A 116 -4.861 -0.663 -8.656 1.00 0.00 O ATOM 200 CB LEU A 116 -6.413 1.036 -6.373 1.00 0.00 C ATOM 201 CG LEU A 116 -7.605 0.774 -5.454 1.00 0.00 C ATOM 202 CD1 LEU A 116 -8.712 1.784 -5.714 1.00 0.00 C ATOM 203 CD2 LEU A 116 -8.121 -0.646 -5.640 1.00 0.00 C ATOM 0 H LEU A 116 -4.636 0.950 -4.666 1.00 0.00 H new ATOM 0 HA LEU A 116 -5.791 -1.022 -6.313 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -5.958 1.983 -6.083 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -6.784 1.159 -7.390 1.00 0.00 H new ATOM 0 HG LEU A 116 -7.274 0.886 -4.421 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -9.553 1.581 -5.050 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -8.337 2.791 -5.528 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -9.041 1.705 -6.750 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -8.970 -0.814 -4.977 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -8.435 -0.787 -6.674 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -7.328 -1.355 -5.402 1.00 0.00 H new ATOM 215 N LYS A 117 -3.507 0.865 -7.712 1.00 0.00 N ATOM 216 CA LYS A 117 -2.673 1.021 -8.898 1.00 0.00 C ATOM 217 C LYS A 117 -1.702 -0.147 -9.037 1.00 0.00 C ATOM 218 O LYS A 117 -1.432 -0.614 -10.145 1.00 0.00 O ATOM 219 CB LYS A 117 -1.897 2.338 -8.831 1.00 0.00 C ATOM 220 CG LYS A 117 -0.774 2.436 -9.849 1.00 0.00 C ATOM 221 CD LYS A 117 0.485 1.741 -9.358 1.00 0.00 C ATOM 222 CE LYS A 117 1.734 2.350 -9.976 1.00 0.00 C ATOM 223 NZ LYS A 117 1.825 2.067 -11.436 1.00 0.00 N ATOM 0 H LYS A 117 -3.227 1.445 -6.921 1.00 0.00 H new ATOM 0 HA LYS A 117 -3.325 1.035 -9.771 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -2.589 3.166 -8.985 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -1.480 2.454 -7.831 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -1.094 1.989 -10.790 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -0.556 3.485 -10.052 1.00 0.00 H new ATOM 0 HD2 LYS A 117 0.542 1.814 -8.272 1.00 0.00 H new ATOM 0 HD3 LYS A 117 0.436 0.680 -9.604 1.00 0.00 H new ATOM 0 HE2 LYS A 117 1.731 3.428 -9.815 1.00 0.00 H new ATOM 0 HE3 LYS A 117 2.617 1.955 -9.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 2.690 2.499 -11.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 1.854 1.039 -11.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 0.995 2.466 -11.919 1.00 0.00 H new ATOM 237 N LEU A 118 -1.180 -0.614 -7.909 1.00 0.00 N ATOM 238 CA LEU A 118 -0.240 -1.730 -7.905 1.00 0.00 C ATOM 239 C LEU A 118 -0.977 -3.063 -7.972 1.00 0.00 C ATOM 240 O LEU A 118 -0.412 -4.112 -7.660 1.00 0.00 O ATOM 241 CB LEU A 118 0.636 -1.680 -6.652 1.00 0.00 C ATOM 242 CG LEU A 118 1.765 -0.650 -6.662 1.00 0.00 C ATOM 243 CD1 LEU A 118 2.678 -0.846 -5.462 1.00 0.00 C ATOM 244 CD2 LEU A 118 2.558 -0.740 -7.958 1.00 0.00 C ATOM 0 H LEU A 118 -1.391 -0.238 -6.985 1.00 0.00 H new ATOM 0 HA LEU A 118 0.394 -1.642 -8.787 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -0.005 -1.479 -5.793 1.00 0.00 H new ATOM 0 HB3 LEU A 118 1.073 -2.667 -6.499 1.00 0.00 H new ATOM 0 HG LEU A 118 1.323 0.344 -6.598 1.00 0.00 H new ATOM 0 HD11 LEU A 118 3.476 -0.103 -5.487 1.00 0.00 H new ATOM 0 HD12 LEU A 118 2.102 -0.730 -4.544 1.00 0.00 H new ATOM 0 HD13 LEU A 118 3.112 -1.845 -5.494 1.00 0.00 H new ATOM 0 HD21 LEU A 118 3.358 0.001 -7.947 1.00 0.00 H new ATOM 0 HD22 LEU A 118 2.988 -1.737 -8.053 1.00 0.00 H new ATOM 0 HD23 LEU A 118 1.897 -0.548 -8.803 1.00 0.00 H new ATOM 256 N ARG A 119 -2.240 -3.016 -8.384 1.00 0.00 N ATOM 257 CA ARG A 119 -3.053 -4.221 -8.493 1.00 0.00 C ATOM 258 C ARG A 119 -2.953 -5.061 -7.223 1.00 0.00 C ATOM 259 O ARG A 119 -3.115 -6.281 -7.261 1.00 0.00 O ATOM 260 CB ARG A 119 -2.615 -5.050 -9.702 1.00 0.00 C ATOM 261 CG ARG A 119 -2.685 -4.292 -11.018 1.00 0.00 C ATOM 262 CD ARG A 119 -4.123 -3.984 -11.407 1.00 0.00 C ATOM 263 NE ARG A 119 -4.850 -5.184 -11.813 1.00 0.00 N ATOM 264 CZ ARG A 119 -6.161 -5.214 -12.024 1.00 0.00 C ATOM 265 NH1 ARG A 119 -6.885 -4.115 -11.868 1.00 0.00 N ATOM 266 NH2 ARG A 119 -6.749 -6.345 -12.391 1.00 0.00 N ATOM 0 H ARG A 119 -2.722 -2.157 -8.648 1.00 0.00 H new ATOM 0 HA ARG A 119 -4.091 -3.918 -8.626 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -1.593 -5.394 -9.545 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -3.244 -5.938 -9.770 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -2.122 -3.362 -10.934 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -2.212 -4.881 -11.804 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -4.634 -3.518 -10.565 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -4.131 -3.262 -12.224 1.00 0.00 H new ATOM 0 HE ARG A 119 -4.322 -6.047 -11.942 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -6.436 -3.244 -11.585 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -7.892 -4.140 -12.031 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -6.194 -7.192 -12.511 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -7.756 -6.367 -12.553 1.00 0.00 H new ATOM 280 N MET A 120 -2.684 -4.401 -6.102 1.00 0.00 N ATOM 281 CA MET A 120 -2.563 -5.087 -4.821 1.00 0.00 C ATOM 282 C MET A 120 -3.927 -5.237 -4.153 1.00 0.00 C ATOM 283 O MET A 120 -4.168 -6.196 -3.422 1.00 0.00 O ATOM 284 CB MET A 120 -1.611 -4.326 -3.898 1.00 0.00 C ATOM 285 CG MET A 120 -0.146 -4.477 -4.276 1.00 0.00 C ATOM 286 SD MET A 120 0.923 -3.331 -3.386 1.00 0.00 S ATOM 287 CE MET A 120 0.979 -4.105 -1.771 1.00 0.00 C ATOM 0 H MET A 120 -2.546 -3.392 -6.054 1.00 0.00 H new ATOM 0 HA MET A 120 -2.158 -6.082 -5.007 1.00 0.00 H new ATOM 0 HB2 MET A 120 -1.874 -3.268 -3.911 1.00 0.00 H new ATOM 0 HB3 MET A 120 -1.752 -4.677 -2.876 1.00 0.00 H new ATOM 0 HG2 MET A 120 0.174 -5.499 -4.072 1.00 0.00 H new ATOM 0 HG3 MET A 120 -0.033 -4.315 -5.348 1.00 0.00 H new ATOM 0 HE1 MET A 120 0.772 -3.360 -1.003 1.00 0.00 H new ATOM 0 HE2 MET A 120 0.230 -4.896 -1.720 1.00 0.00 H new ATOM 0 HE3 MET A 120 1.969 -4.531 -1.606 1.00 0.00 H new ATOM 297 N ALA A 121 -4.814 -4.282 -4.411 1.00 0.00 N ATOM 298 CA ALA A 121 -6.154 -4.309 -3.836 1.00 0.00 C ATOM 299 C ALA A 121 -7.216 -4.406 -4.925 1.00 0.00 C ATOM 300 O ALA A 121 -6.909 -4.317 -6.113 1.00 0.00 O ATOM 301 CB ALA A 121 -6.384 -3.073 -2.978 1.00 0.00 C ATOM 0 H ALA A 121 -4.630 -3.480 -5.014 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.236 -5.195 -3.206 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -7.388 -3.106 -2.555 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -5.651 -3.048 -2.172 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -6.278 -2.179 -3.592 1.00 0.00 H new ATOM 307 N GLN A 122 -8.466 -4.588 -4.511 1.00 0.00 N ATOM 308 CA GLN A 122 -9.574 -4.697 -5.453 1.00 0.00 C ATOM 309 C GLN A 122 -10.169 -3.326 -5.755 1.00 0.00 C ATOM 310 O GLN A 122 -10.011 -2.800 -6.858 1.00 0.00 O ATOM 311 CB GLN A 122 -10.656 -5.624 -4.894 1.00 0.00 C ATOM 312 CG GLN A 122 -11.453 -6.346 -5.969 1.00 0.00 C ATOM 313 CD GLN A 122 -12.352 -5.413 -6.755 1.00 0.00 C ATOM 314 OE1 GLN A 122 -11.888 -4.442 -7.352 1.00 0.00 O ATOM 315 NE2 GLN A 122 -13.648 -5.704 -6.758 1.00 0.00 N ATOM 0 H GLN A 122 -8.737 -4.663 -3.530 1.00 0.00 H new ATOM 0 HA GLN A 122 -9.189 -5.118 -6.382 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -10.189 -6.362 -4.242 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -11.339 -5.041 -4.277 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -10.765 -6.844 -6.653 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -12.060 -7.124 -5.505 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -13.989 -6.520 -6.249 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -14.302 -5.112 -7.269 1.00 0.00 H new ATOM 324 N HIS A 123 -10.853 -2.753 -4.771 1.00 0.00 N ATOM 325 CA HIS A 123 -11.473 -1.442 -4.933 1.00 0.00 C ATOM 326 C HIS A 123 -11.016 -0.487 -3.835 1.00 0.00 C ATOM 327 O HIS A 123 -10.280 -0.875 -2.926 1.00 0.00 O ATOM 328 CB HIS A 123 -12.996 -1.569 -4.913 1.00 0.00 C ATOM 329 CG HIS A 123 -13.503 -2.557 -3.908 1.00 0.00 C ATOM 330 ND1 HIS A 123 -13.920 -2.198 -2.643 1.00 0.00 N ATOM 331 CD2 HIS A 123 -13.659 -3.899 -3.987 1.00 0.00 C ATOM 332 CE1 HIS A 123 -14.310 -3.277 -1.988 1.00 0.00 C ATOM 333 NE2 HIS A 123 -14.162 -4.323 -2.782 1.00 0.00 N ATOM 0 H HIS A 123 -10.992 -3.175 -3.853 1.00 0.00 H new ATOM 0 HA HIS A 123 -11.163 -1.036 -5.896 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -13.431 -0.592 -4.701 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -13.341 -1.863 -5.904 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -13.430 -4.521 -4.840 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -14.686 -3.300 -0.976 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -14.385 -5.288 -2.539 1.00 0.00 H new ATOM 341 N LEU A 124 -11.454 0.764 -3.925 1.00 0.00 N ATOM 342 CA LEU A 124 -11.090 1.776 -2.940 1.00 0.00 C ATOM 343 C LEU A 124 -11.488 1.337 -1.535 1.00 0.00 C ATOM 344 O LEU A 124 -10.707 1.460 -0.591 1.00 0.00 O ATOM 345 CB LEU A 124 -11.758 3.110 -3.279 1.00 0.00 C ATOM 346 CG LEU A 124 -11.379 4.295 -2.390 1.00 0.00 C ATOM 347 CD1 LEU A 124 -9.886 4.569 -2.475 1.00 0.00 C ATOM 348 CD2 LEU A 124 -12.173 5.532 -2.783 1.00 0.00 C ATOM 0 H LEU A 124 -12.062 1.102 -4.671 1.00 0.00 H new ATOM 0 HA LEU A 124 -10.008 1.902 -2.968 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -11.515 3.363 -4.311 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -12.839 2.975 -3.230 1.00 0.00 H new ATOM 0 HG LEU A 124 -11.624 4.043 -1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -9.634 5.415 -1.836 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -9.335 3.688 -2.144 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -9.617 4.800 -3.506 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -11.890 6.365 -2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -11.960 5.786 -3.821 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -13.238 5.332 -2.670 1.00 0.00 H new ATOM 360 N GLN A 125 -12.706 0.822 -1.405 1.00 0.00 N ATOM 361 CA GLN A 125 -13.207 0.363 -0.114 1.00 0.00 C ATOM 362 C GLN A 125 -12.356 -0.783 0.423 1.00 0.00 C ATOM 363 O GLN A 125 -12.125 -0.887 1.628 1.00 0.00 O ATOM 364 CB GLN A 125 -14.664 -0.084 -0.238 1.00 0.00 C ATOM 365 CG GLN A 125 -15.471 0.110 1.035 1.00 0.00 C ATOM 366 CD GLN A 125 -16.784 -0.646 1.015 1.00 0.00 C ATOM 367 OE1 GLN A 125 -17.705 -0.297 0.276 1.00 0.00 O ATOM 368 NE2 GLN A 125 -16.879 -1.692 1.829 1.00 0.00 N ATOM 0 H GLN A 125 -13.364 0.712 -2.177 1.00 0.00 H new ATOM 0 HA GLN A 125 -13.148 1.196 0.587 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -15.138 0.472 -1.047 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -14.690 -1.137 -0.517 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -14.880 -0.220 1.889 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -15.670 1.172 1.176 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -16.092 -1.947 2.425 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -17.739 -2.240 1.858 1.00 0.00 H new ATOM 377 N ALA A 126 -11.892 -1.643 -0.478 1.00 0.00 N ATOM 378 CA ALA A 126 -11.065 -2.781 -0.094 1.00 0.00 C ATOM 379 C ALA A 126 -9.692 -2.323 0.387 1.00 0.00 C ATOM 380 O ALA A 126 -9.192 -2.796 1.407 1.00 0.00 O ATOM 381 CB ALA A 126 -10.923 -3.747 -1.261 1.00 0.00 C ATOM 0 H ALA A 126 -12.075 -1.573 -1.479 1.00 0.00 H new ATOM 0 HA ALA A 126 -11.557 -3.296 0.731 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -10.303 -4.592 -0.961 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -11.908 -4.107 -1.557 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -10.456 -3.235 -2.102 1.00 0.00 H new ATOM 387 N ALA A 127 -9.087 -1.402 -0.356 1.00 0.00 N ATOM 388 CA ALA A 127 -7.772 -0.881 -0.004 1.00 0.00 C ATOM 389 C ALA A 127 -7.824 -0.094 1.301 1.00 0.00 C ATOM 390 O ALA A 127 -6.947 -0.229 2.154 1.00 0.00 O ATOM 391 CB ALA A 127 -7.232 -0.008 -1.128 1.00 0.00 C ATOM 0 H ALA A 127 -9.486 -1.002 -1.205 1.00 0.00 H new ATOM 0 HA ALA A 127 -7.100 -1.727 0.139 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -6.249 0.374 -0.852 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -7.148 -0.599 -2.040 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -7.911 0.827 -1.299 1.00 0.00 H new ATOM 397 N VAL A 128 -8.858 0.729 1.449 1.00 0.00 N ATOM 398 CA VAL A 128 -9.024 1.538 2.650 1.00 0.00 C ATOM 399 C VAL A 128 -9.207 0.660 3.884 1.00 0.00 C ATOM 400 O VAL A 128 -8.548 0.857 4.903 1.00 0.00 O ATOM 401 CB VAL A 128 -10.233 2.486 2.526 1.00 0.00 C ATOM 402 CG1 VAL A 128 -10.423 3.281 3.809 1.00 0.00 C ATOM 403 CG2 VAL A 128 -10.058 3.416 1.334 1.00 0.00 C ATOM 0 H VAL A 128 -9.593 0.853 0.752 1.00 0.00 H new ATOM 0 HA VAL A 128 -8.116 2.130 2.760 1.00 0.00 H new ATOM 0 HB VAL A 128 -11.129 1.886 2.363 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -11.281 3.945 3.702 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -10.595 2.596 4.639 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -9.529 3.873 4.006 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -10.920 4.079 1.260 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -9.154 4.010 1.466 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -9.975 2.826 0.421 1.00 0.00 H new ATOM 413 N ALA A 129 -10.109 -0.313 3.782 1.00 0.00 N ATOM 414 CA ALA A 129 -10.377 -1.225 4.888 1.00 0.00 C ATOM 415 C ALA A 129 -9.119 -1.987 5.288 1.00 0.00 C ATOM 416 O ALA A 129 -8.835 -2.158 6.473 1.00 0.00 O ATOM 417 CB ALA A 129 -11.488 -2.193 4.514 1.00 0.00 C ATOM 0 H ALA A 129 -10.665 -0.489 2.945 1.00 0.00 H new ATOM 0 HA ALA A 129 -10.699 -0.634 5.746 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -11.678 -2.868 5.348 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -12.396 -1.634 4.285 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -11.188 -2.771 3.640 1.00 0.00 H new ATOM 423 N PHE A 130 -8.368 -2.445 4.291 1.00 0.00 N ATOM 424 CA PHE A 130 -7.140 -3.192 4.539 1.00 0.00 C ATOM 425 C PHE A 130 -6.150 -2.358 5.346 1.00 0.00 C ATOM 426 O PHE A 130 -5.504 -2.859 6.267 1.00 0.00 O ATOM 427 CB PHE A 130 -6.504 -3.623 3.216 1.00 0.00 C ATOM 428 CG PHE A 130 -7.158 -4.827 2.600 1.00 0.00 C ATOM 429 CD1 PHE A 130 -7.419 -5.955 3.361 1.00 0.00 C ATOM 430 CD2 PHE A 130 -7.509 -4.832 1.260 1.00 0.00 C ATOM 431 CE1 PHE A 130 -8.020 -7.065 2.799 1.00 0.00 C ATOM 432 CE2 PHE A 130 -8.111 -5.938 0.692 1.00 0.00 C ATOM 433 CZ PHE A 130 -8.366 -7.057 1.461 1.00 0.00 C ATOM 0 H PHE A 130 -8.588 -2.312 3.304 1.00 0.00 H new ATOM 0 HA PHE A 130 -7.395 -4.080 5.117 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -6.553 -2.793 2.511 1.00 0.00 H new ATOM 0 HB3 PHE A 130 -5.449 -3.838 3.383 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -7.149 -5.967 4.407 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -7.310 -3.962 0.653 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -8.219 -7.937 3.404 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -8.382 -5.928 -0.353 1.00 0.00 H new ATOM 0 HZ PHE A 130 -8.835 -7.923 1.018 1.00 0.00 H new ATOM 443 N VAL A 131 -6.034 -1.082 4.992 1.00 0.00 N ATOM 444 CA VAL A 131 -5.122 -0.177 5.682 1.00 0.00 C ATOM 445 C VAL A 131 -5.479 -0.061 7.160 1.00 0.00 C ATOM 446 O VAL A 131 -4.620 -0.210 8.028 1.00 0.00 O ATOM 447 CB VAL A 131 -5.140 1.227 5.049 1.00 0.00 C ATOM 448 CG1 VAL A 131 -4.102 2.123 5.709 1.00 0.00 C ATOM 449 CG2 VAL A 131 -4.902 1.137 3.549 1.00 0.00 C ATOM 0 H VAL A 131 -6.560 -0.652 4.232 1.00 0.00 H new ATOM 0 HA VAL A 131 -4.122 -0.599 5.584 1.00 0.00 H new ATOM 0 HB VAL A 131 -6.123 1.669 5.212 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -4.129 3.111 5.249 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -4.322 2.212 6.773 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -3.111 1.689 5.578 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -4.918 2.138 3.117 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -3.932 0.676 3.361 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -5.685 0.532 3.092 1.00 0.00 H new ATOM 459 N GLU A 132 -6.751 0.206 7.437 1.00 0.00 N ATOM 460 CA GLU A 132 -7.220 0.343 8.811 1.00 0.00 C ATOM 461 C GLU A 132 -7.132 -0.988 9.552 1.00 0.00 C ATOM 462 O GLU A 132 -6.984 -1.022 10.773 1.00 0.00 O ATOM 463 CB GLU A 132 -8.662 0.856 8.833 1.00 0.00 C ATOM 464 CG GLU A 132 -8.832 2.220 8.185 1.00 0.00 C ATOM 465 CD GLU A 132 -10.052 2.961 8.695 1.00 0.00 C ATOM 466 OE1 GLU A 132 -11.176 2.608 8.281 1.00 0.00 O ATOM 467 OE2 GLU A 132 -9.884 3.894 9.509 1.00 0.00 O ATOM 0 H GLU A 132 -7.475 0.332 6.729 1.00 0.00 H new ATOM 0 HA GLU A 132 -6.577 1.064 9.316 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -9.302 0.138 8.321 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -9.004 0.909 9.866 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -7.942 2.821 8.373 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -8.911 2.097 7.105 1.00 0.00 H new ATOM 474 N GLN A 133 -7.223 -2.083 8.803 1.00 0.00 N ATOM 475 CA GLN A 133 -7.155 -3.416 9.388 1.00 0.00 C ATOM 476 C GLN A 133 -5.707 -3.864 9.554 1.00 0.00 C ATOM 477 O GLN A 133 -5.430 -5.049 9.737 1.00 0.00 O ATOM 478 CB GLN A 133 -7.914 -4.418 8.516 1.00 0.00 C ATOM 479 CG GLN A 133 -9.415 -4.420 8.759 1.00 0.00 C ATOM 480 CD GLN A 133 -10.139 -5.457 7.923 1.00 0.00 C ATOM 481 OE1 GLN A 133 -10.439 -6.553 8.397 1.00 0.00 O ATOM 482 NE2 GLN A 133 -10.426 -5.115 6.672 1.00 0.00 N ATOM 0 H GLN A 133 -7.344 -2.072 7.790 1.00 0.00 H new ATOM 0 HA GLN A 133 -7.620 -3.377 10.373 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -7.724 -4.191 7.467 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -7.523 -5.418 8.702 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -9.608 -4.610 9.815 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -9.817 -3.432 8.534 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -10.158 -4.196 6.320 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -10.914 -5.772 6.063 1.00 0.00 H new ATOM 491 N GLY A 134 -4.785 -2.908 9.488 1.00 0.00 N ATOM 492 CA GLY A 134 -3.375 -3.225 9.632 1.00 0.00 C ATOM 493 C GLY A 134 -2.976 -4.459 8.848 1.00 0.00 C ATOM 494 O GLY A 134 -2.255 -5.319 9.355 1.00 0.00 O ATOM 0 H GLY A 134 -4.989 -1.920 9.337 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -2.779 -2.376 9.296 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -3.146 -3.378 10.687 1.00 0.00 H new ATOM 498 N HIS A 135 -3.445 -4.547 7.607 1.00 0.00 N ATOM 499 CA HIS A 135 -3.132 -5.686 6.750 1.00 0.00 C ATOM 500 C HIS A 135 -1.960 -5.366 5.828 1.00 0.00 C ATOM 501 O HIS A 135 -1.299 -6.267 5.311 1.00 0.00 O ATOM 502 CB HIS A 135 -4.355 -6.079 5.923 1.00 0.00 C ATOM 503 CG HIS A 135 -5.291 -7.003 6.640 1.00 0.00 C ATOM 504 ND1 HIS A 135 -6.596 -6.861 6.971 1.00 0.00 N flip ATOM 505 CD2 HIS A 135 -4.913 -8.245 7.107 1.00 0.00 C flip ATOM 506 CE1 HIS A 135 -6.979 -8.006 7.625 1.00 0.00 C flip ATOM 507 NE2 HIS A 135 -5.944 -8.825 7.692 1.00 0.00 N flip ATOM 0 H HIS A 135 -4.043 -3.844 7.172 1.00 0.00 H new ATOM 0 HA HIS A 135 -2.850 -6.524 7.388 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -4.896 -5.177 5.638 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -4.022 -6.556 5.001 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -3.927 -8.675 7.009 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -7.964 -8.205 8.020 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -5.942 -9.749 8.123 1.00 0.00 H new ATOM 515 N VAL A 136 -1.708 -4.077 5.623 1.00 0.00 N ATOM 516 CA VAL A 136 -0.617 -3.637 4.763 1.00 0.00 C ATOM 517 C VAL A 136 0.335 -2.711 5.512 1.00 0.00 C ATOM 518 O VAL A 136 -0.093 -1.894 6.328 1.00 0.00 O ATOM 519 CB VAL A 136 -1.146 -2.910 3.512 1.00 0.00 C ATOM 520 CG1 VAL A 136 -0.033 -2.725 2.491 1.00 0.00 C ATOM 521 CG2 VAL A 136 -2.313 -3.674 2.906 1.00 0.00 C ATOM 0 H VAL A 136 -2.246 -3.318 6.042 1.00 0.00 H new ATOM 0 HA VAL A 136 -0.078 -4.532 4.453 1.00 0.00 H new ATOM 0 HB VAL A 136 -1.502 -1.924 3.810 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -0.425 -2.210 1.614 1.00 0.00 H new ATOM 0 HG12 VAL A 136 0.770 -2.133 2.931 1.00 0.00 H new ATOM 0 HG13 VAL A 136 0.355 -3.700 2.195 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -2.674 -3.146 2.023 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -1.985 -4.674 2.622 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -3.117 -3.750 3.638 1.00 0.00 H new ATOM 531 N ARG A 137 1.626 -2.842 5.226 1.00 0.00 N ATOM 532 CA ARG A 137 2.639 -2.016 5.874 1.00 0.00 C ATOM 533 C ARG A 137 3.598 -1.426 4.845 1.00 0.00 C ATOM 534 O ARG A 137 3.737 -1.948 3.739 1.00 0.00 O ATOM 535 CB ARG A 137 3.419 -2.840 6.901 1.00 0.00 C ATOM 536 CG ARG A 137 4.433 -3.785 6.278 1.00 0.00 C ATOM 537 CD ARG A 137 5.530 -4.153 7.265 1.00 0.00 C ATOM 538 NE ARG A 137 6.257 -5.352 6.854 1.00 0.00 N ATOM 539 CZ ARG A 137 7.327 -5.816 7.490 1.00 0.00 C ATOM 540 NH1 ARG A 137 7.790 -5.189 8.562 1.00 0.00 N ATOM 541 NH2 ARG A 137 7.933 -6.913 7.054 1.00 0.00 N ATOM 0 H ARG A 137 1.996 -3.511 4.551 1.00 0.00 H new ATOM 0 HA ARG A 137 2.132 -1.197 6.385 1.00 0.00 H new ATOM 0 HB2 ARG A 137 3.936 -2.163 7.581 1.00 0.00 H new ATOM 0 HB3 ARG A 137 2.716 -3.418 7.500 1.00 0.00 H new ATOM 0 HG2 ARG A 137 3.929 -4.690 5.939 1.00 0.00 H new ATOM 0 HG3 ARG A 137 4.875 -3.318 5.398 1.00 0.00 H new ATOM 0 HD2 ARG A 137 6.227 -3.321 7.359 1.00 0.00 H new ATOM 0 HD3 ARG A 137 5.092 -4.314 8.250 1.00 0.00 H new ATOM 0 HE ARG A 137 5.925 -5.860 6.034 1.00 0.00 H new ATOM 0 HH11 ARG A 137 7.324 -4.347 8.901 1.00 0.00 H new ATOM 0 HH12 ARG A 137 8.612 -5.548 9.048 1.00 0.00 H new ATOM 0 HH21 ARG A 137 7.577 -7.399 6.231 1.00 0.00 H new ATOM 0 HH22 ARG A 137 8.755 -7.270 7.542 1.00 0.00 H new ATOM 555 N VAL A 138 4.256 -0.332 5.216 1.00 0.00 N ATOM 556 CA VAL A 138 5.203 0.329 4.326 1.00 0.00 C ATOM 557 C VAL A 138 6.599 0.368 4.938 1.00 0.00 C ATOM 558 O VAL A 138 6.837 1.068 5.920 1.00 0.00 O ATOM 559 CB VAL A 138 4.757 1.767 4.000 1.00 0.00 C ATOM 560 CG1 VAL A 138 5.722 2.416 3.020 1.00 0.00 C ATOM 561 CG2 VAL A 138 3.339 1.772 3.449 1.00 0.00 C ATOM 0 H VAL A 138 4.151 0.115 6.127 1.00 0.00 H new ATOM 0 HA VAL A 138 5.230 -0.253 3.405 1.00 0.00 H new ATOM 0 HB VAL A 138 4.766 2.350 4.921 1.00 0.00 H new ATOM 0 HG11 VAL A 138 5.391 3.431 2.802 1.00 0.00 H new ATOM 0 HG12 VAL A 138 6.720 2.446 3.458 1.00 0.00 H new ATOM 0 HG13 VAL A 138 5.748 1.836 2.097 1.00 0.00 H new ATOM 0 HG21 VAL A 138 3.040 2.796 3.224 1.00 0.00 H new ATOM 0 HG22 VAL A 138 3.300 1.174 2.538 1.00 0.00 H new ATOM 0 HG23 VAL A 138 2.659 1.350 4.189 1.00 0.00 H new ATOM 571 N GLY A 139 7.519 -0.391 4.350 1.00 0.00 N ATOM 572 CA GLY A 139 8.880 -0.428 4.851 1.00 0.00 C ATOM 573 C GLY A 139 8.948 -0.805 6.318 1.00 0.00 C ATOM 574 O GLY A 139 8.116 -1.555 6.827 1.00 0.00 O ATOM 0 H GLY A 139 7.346 -0.981 3.536 1.00 0.00 H new ATOM 0 HA2 GLY A 139 9.459 -1.144 4.268 1.00 0.00 H new ATOM 0 HA3 GLY A 139 9.343 0.548 4.708 1.00 0.00 H new ATOM 578 N PRO A 140 9.960 -0.277 7.022 1.00 0.00 N ATOM 579 CA PRO A 140 10.158 -0.549 8.449 1.00 0.00 C ATOM 580 C PRO A 140 9.088 0.101 9.317 1.00 0.00 C ATOM 581 O PRO A 140 9.141 0.029 10.545 1.00 0.00 O ATOM 582 CB PRO A 140 11.530 0.067 8.740 1.00 0.00 C ATOM 583 CG PRO A 140 11.695 1.129 7.708 1.00 0.00 C ATOM 584 CD PRO A 140 10.990 0.625 6.480 1.00 0.00 C ATOM 0 HA PRO A 140 10.097 -1.614 8.673 1.00 0.00 H new ATOM 0 HB2 PRO A 140 11.572 0.483 9.747 1.00 0.00 H new ATOM 0 HB3 PRO A 140 12.322 -0.679 8.671 1.00 0.00 H new ATOM 0 HG2 PRO A 140 11.265 2.072 8.046 1.00 0.00 H new ATOM 0 HG3 PRO A 140 12.750 1.315 7.504 1.00 0.00 H new ATOM 0 HD2 PRO A 140 10.548 1.441 5.907 1.00 0.00 H new ATOM 0 HD3 PRO A 140 11.673 0.100 5.812 1.00 0.00 H new ATOM 592 N ASP A 141 8.116 0.738 8.672 1.00 0.00 N ATOM 593 CA ASP A 141 7.031 1.400 9.385 1.00 0.00 C ATOM 594 C ASP A 141 5.678 0.825 8.975 1.00 0.00 C ATOM 595 O ASP A 141 5.377 0.706 7.786 1.00 0.00 O ATOM 596 CB ASP A 141 7.060 2.906 9.118 1.00 0.00 C ATOM 597 CG ASP A 141 8.420 3.516 9.397 1.00 0.00 C ATOM 598 OD1 ASP A 141 8.711 3.804 10.576 1.00 0.00 O ATOM 599 OD2 ASP A 141 9.192 3.705 8.434 1.00 0.00 O ATOM 0 H ASP A 141 8.058 0.809 7.656 1.00 0.00 H new ATOM 0 HA ASP A 141 7.172 1.224 10.452 1.00 0.00 H new ATOM 0 HB2 ASP A 141 6.787 3.094 8.080 1.00 0.00 H new ATOM 0 HB3 ASP A 141 6.310 3.397 9.739 1.00 0.00 H new ATOM 604 N VAL A 142 4.867 0.467 9.965 1.00 0.00 N ATOM 605 CA VAL A 142 3.548 -0.096 9.707 1.00 0.00 C ATOM 606 C VAL A 142 2.486 0.996 9.648 1.00 0.00 C ATOM 607 O VAL A 142 2.277 1.727 10.618 1.00 0.00 O ATOM 608 CB VAL A 142 3.154 -1.122 10.786 1.00 0.00 C ATOM 609 CG1 VAL A 142 1.688 -1.503 10.652 1.00 0.00 C ATOM 610 CG2 VAL A 142 4.043 -2.353 10.699 1.00 0.00 C ATOM 0 H VAL A 142 5.101 0.557 10.954 1.00 0.00 H new ATOM 0 HA VAL A 142 3.602 -0.599 8.741 1.00 0.00 H new ATOM 0 HB VAL A 142 3.297 -0.666 11.766 1.00 0.00 H new ATOM 0 HG11 VAL A 142 1.429 -2.229 11.423 1.00 0.00 H new ATOM 0 HG12 VAL A 142 1.069 -0.613 10.768 1.00 0.00 H new ATOM 0 HG13 VAL A 142 1.514 -1.940 9.669 1.00 0.00 H new ATOM 0 HG21 VAL A 142 3.751 -3.068 11.468 1.00 0.00 H new ATOM 0 HG22 VAL A 142 3.933 -2.812 9.717 1.00 0.00 H new ATOM 0 HG23 VAL A 142 5.083 -2.062 10.850 1.00 0.00 H new ATOM 620 N VAL A 143 1.815 1.102 8.506 1.00 0.00 N ATOM 621 CA VAL A 143 0.773 2.105 8.320 1.00 0.00 C ATOM 622 C VAL A 143 -0.608 1.520 8.599 1.00 0.00 C ATOM 623 O VAL A 143 -0.980 0.487 8.043 1.00 0.00 O ATOM 624 CB VAL A 143 0.796 2.681 6.892 1.00 0.00 C ATOM 625 CG1 VAL A 143 -0.407 3.585 6.662 1.00 0.00 C ATOM 626 CG2 VAL A 143 2.094 3.434 6.643 1.00 0.00 C ATOM 0 H VAL A 143 1.974 0.505 7.695 1.00 0.00 H new ATOM 0 HA VAL A 143 0.975 2.907 9.030 1.00 0.00 H new ATOM 0 HB VAL A 143 0.740 1.854 6.184 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -0.374 3.983 5.648 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -1.324 3.012 6.797 1.00 0.00 H new ATOM 0 HG13 VAL A 143 -0.385 4.408 7.376 1.00 0.00 H new ATOM 0 HG21 VAL A 143 2.094 3.834 5.629 1.00 0.00 H new ATOM 0 HG22 VAL A 143 2.182 4.253 7.357 1.00 0.00 H new ATOM 0 HG23 VAL A 143 2.938 2.755 6.764 1.00 0.00 H new ATOM 636 N THR A 144 -1.364 2.189 9.464 1.00 0.00 N ATOM 637 CA THR A 144 -2.703 1.736 9.817 1.00 0.00 C ATOM 638 C THR A 144 -3.763 2.711 9.319 1.00 0.00 C ATOM 639 O THR A 144 -4.943 2.582 9.647 1.00 0.00 O ATOM 640 CB THR A 144 -2.855 1.565 11.341 1.00 0.00 C ATOM 641 OG1 THR A 144 -2.225 2.656 12.021 1.00 0.00 O ATOM 642 CG2 THR A 144 -2.242 0.251 11.801 1.00 0.00 C ATOM 0 H THR A 144 -1.071 3.046 9.933 1.00 0.00 H new ATOM 0 HA THR A 144 -2.847 0.770 9.334 1.00 0.00 H new ATOM 0 HB THR A 144 -3.918 1.555 11.580 1.00 0.00 H new ATOM 0 HG1 THR A 144 -2.327 2.541 12.989 1.00 0.00 H new ATOM 0 HG21 THR A 144 -2.361 0.152 12.880 1.00 0.00 H new ATOM 0 HG22 THR A 144 -2.744 -0.579 11.303 1.00 0.00 H new ATOM 0 HG23 THR A 144 -1.181 0.237 11.550 1.00 0.00 H new ATOM 650 N ASP A 145 -3.336 3.687 8.524 1.00 0.00 N ATOM 651 CA ASP A 145 -4.249 4.684 7.979 1.00 0.00 C ATOM 652 C ASP A 145 -4.052 4.835 6.473 1.00 0.00 C ATOM 653 O ASP A 145 -2.931 4.827 5.964 1.00 0.00 O ATOM 654 CB ASP A 145 -4.039 6.032 8.671 1.00 0.00 C ATOM 655 CG ASP A 145 -5.279 6.902 8.631 1.00 0.00 C ATOM 656 OD1 ASP A 145 -5.523 7.542 7.586 1.00 0.00 O ATOM 657 OD2 ASP A 145 -6.008 6.943 9.644 1.00 0.00 O ATOM 0 H ASP A 145 -2.363 3.808 8.243 1.00 0.00 H new ATOM 0 HA ASP A 145 -5.269 4.346 8.162 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -3.750 5.864 9.708 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -3.214 6.559 8.192 1.00 0.00 H new ATOM 662 N PRO A 146 -5.168 4.975 5.742 1.00 0.00 N ATOM 663 CA PRO A 146 -5.144 5.130 4.284 1.00 0.00 C ATOM 664 C PRO A 146 -4.576 6.478 3.853 1.00 0.00 C ATOM 665 O PRO A 146 -3.869 6.571 2.850 1.00 0.00 O ATOM 666 CB PRO A 146 -6.620 5.022 3.892 1.00 0.00 C ATOM 667 CG PRO A 146 -7.367 5.444 5.110 1.00 0.00 C ATOM 668 CD PRO A 146 -6.538 4.994 6.281 1.00 0.00 C ATOM 0 HA PRO A 146 -4.506 4.387 3.806 1.00 0.00 H new ATOM 0 HB2 PRO A 146 -6.852 5.665 3.043 1.00 0.00 H new ATOM 0 HB3 PRO A 146 -6.879 4.004 3.602 1.00 0.00 H new ATOM 0 HG2 PRO A 146 -7.510 6.524 5.125 1.00 0.00 H new ATOM 0 HG3 PRO A 146 -8.358 4.991 5.136 1.00 0.00 H new ATOM 0 HD2 PRO A 146 -6.629 5.679 7.124 1.00 0.00 H new ATOM 0 HD3 PRO A 146 -6.844 4.010 6.635 1.00 0.00 H new ATOM 676 N ALA A 147 -4.887 7.517 4.618 1.00 0.00 N ATOM 677 CA ALA A 147 -4.404 8.860 4.317 1.00 0.00 C ATOM 678 C ALA A 147 -2.883 8.884 4.208 1.00 0.00 C ATOM 679 O ALA A 147 -2.302 9.854 3.719 1.00 0.00 O ATOM 680 CB ALA A 147 -4.875 9.841 5.379 1.00 0.00 C ATOM 0 H ALA A 147 -5.472 7.456 5.452 1.00 0.00 H new ATOM 0 HA ALA A 147 -4.816 9.160 3.354 1.00 0.00 H new ATOM 0 HB1 ALA A 147 -4.507 10.839 5.141 1.00 0.00 H new ATOM 0 HB2 ALA A 147 -5.965 9.853 5.406 1.00 0.00 H new ATOM 0 HB3 ALA A 147 -4.492 9.535 6.352 1.00 0.00 H new ATOM 686 N PHE A 148 -2.245 7.813 4.666 1.00 0.00 N ATOM 687 CA PHE A 148 -0.790 7.713 4.622 1.00 0.00 C ATOM 688 C PHE A 148 -0.268 7.999 3.217 1.00 0.00 C ATOM 689 O PHE A 148 -0.678 7.357 2.247 1.00 0.00 O ATOM 690 CB PHE A 148 -0.340 6.323 5.072 1.00 0.00 C ATOM 691 CG PHE A 148 1.145 6.116 4.986 1.00 0.00 C ATOM 692 CD1 PHE A 148 2.003 6.796 5.834 1.00 0.00 C ATOM 693 CD2 PHE A 148 1.683 5.241 4.056 1.00 0.00 C ATOM 694 CE1 PHE A 148 3.371 6.609 5.757 1.00 0.00 C ATOM 695 CE2 PHE A 148 3.050 5.049 3.974 1.00 0.00 C ATOM 696 CZ PHE A 148 3.894 5.734 4.825 1.00 0.00 C ATOM 0 H PHE A 148 -2.712 7.002 5.072 1.00 0.00 H new ATOM 0 HA PHE A 148 -0.378 8.458 5.302 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -0.662 6.161 6.101 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -0.839 5.572 4.459 1.00 0.00 H new ATOM 0 HD1 PHE A 148 1.599 7.481 6.565 1.00 0.00 H new ATOM 0 HD2 PHE A 148 1.027 4.703 3.388 1.00 0.00 H new ATOM 0 HE1 PHE A 148 4.029 7.146 6.424 1.00 0.00 H new ATOM 0 HE2 PHE A 148 3.457 4.364 3.245 1.00 0.00 H new ATOM 0 HZ PHE A 148 4.962 5.586 4.762 1.00 0.00 H new ATOM 706 N LEU A 149 0.636 8.966 3.113 1.00 0.00 N ATOM 707 CA LEU A 149 1.215 9.338 1.827 1.00 0.00 C ATOM 708 C LEU A 149 2.454 8.501 1.524 1.00 0.00 C ATOM 709 O LEU A 149 3.272 8.241 2.407 1.00 0.00 O ATOM 710 CB LEU A 149 1.575 10.824 1.819 1.00 0.00 C ATOM 711 CG LEU A 149 0.418 11.797 2.046 1.00 0.00 C ATOM 712 CD1 LEU A 149 0.890 13.234 1.894 1.00 0.00 C ATOM 713 CD2 LEU A 149 -0.722 11.503 1.082 1.00 0.00 C ATOM 0 H LEU A 149 0.984 9.507 3.904 1.00 0.00 H new ATOM 0 HA LEU A 149 0.472 9.146 1.053 1.00 0.00 H new ATOM 0 HB2 LEU A 149 2.327 10.999 2.589 1.00 0.00 H new ATOM 0 HB3 LEU A 149 2.039 11.060 0.861 1.00 0.00 H new ATOM 0 HG LEU A 149 0.051 11.664 3.064 1.00 0.00 H new ATOM 0 HD11 LEU A 149 0.052 13.912 2.059 1.00 0.00 H new ATOM 0 HD12 LEU A 149 1.672 13.439 2.625 1.00 0.00 H new ATOM 0 HD13 LEU A 149 1.284 13.383 0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -1.537 12.205 1.258 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -0.368 11.608 0.057 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -1.079 10.485 1.240 1.00 0.00 H new ATOM 725 N VAL A 150 2.588 8.083 0.270 1.00 0.00 N ATOM 726 CA VAL A 150 3.729 7.278 -0.150 1.00 0.00 C ATOM 727 C VAL A 150 4.416 7.893 -1.365 1.00 0.00 C ATOM 728 O VAL A 150 3.764 8.259 -2.343 1.00 0.00 O ATOM 729 CB VAL A 150 3.305 5.837 -0.488 1.00 0.00 C ATOM 730 CG1 VAL A 150 4.415 5.114 -1.234 1.00 0.00 C ATOM 731 CG2 VAL A 150 2.923 5.084 0.777 1.00 0.00 C ATOM 0 H VAL A 150 1.920 8.288 -0.473 1.00 0.00 H new ATOM 0 HA VAL A 150 4.427 7.256 0.687 1.00 0.00 H new ATOM 0 HB VAL A 150 2.431 5.877 -1.138 1.00 0.00 H new ATOM 0 HG11 VAL A 150 4.096 4.097 -1.464 1.00 0.00 H new ATOM 0 HG12 VAL A 150 4.635 5.644 -2.161 1.00 0.00 H new ATOM 0 HG13 VAL A 150 5.310 5.082 -0.613 1.00 0.00 H new ATOM 0 HG21 VAL A 150 2.626 4.067 0.520 1.00 0.00 H new ATOM 0 HG22 VAL A 150 3.777 5.052 1.453 1.00 0.00 H new ATOM 0 HG23 VAL A 150 2.092 5.592 1.266 1.00 0.00 H new ATOM 741 N THR A 151 5.739 8.001 -1.297 1.00 0.00 N ATOM 742 CA THR A 151 6.517 8.571 -2.390 1.00 0.00 C ATOM 743 C THR A 151 7.076 7.478 -3.295 1.00 0.00 C ATOM 744 O THR A 151 7.116 6.308 -2.918 1.00 0.00 O ATOM 745 CB THR A 151 7.681 9.431 -1.863 1.00 0.00 C ATOM 746 OG1 THR A 151 8.307 10.125 -2.948 1.00 0.00 O ATOM 747 CG2 THR A 151 8.709 8.569 -1.145 1.00 0.00 C ATOM 0 H THR A 151 6.295 7.701 -0.496 1.00 0.00 H new ATOM 0 HA THR A 151 5.840 9.203 -2.964 1.00 0.00 H new ATOM 0 HB THR A 151 7.278 10.154 -1.154 1.00 0.00 H new ATOM 0 HG1 THR A 151 9.045 10.671 -2.605 1.00 0.00 H new ATOM 0 HG21 THR A 151 9.521 9.198 -0.782 1.00 0.00 H new ATOM 0 HG22 THR A 151 8.236 8.065 -0.302 1.00 0.00 H new ATOM 0 HG23 THR A 151 9.107 7.826 -1.836 1.00 0.00 H new ATOM 755 N ARG A 152 7.508 7.870 -4.489 1.00 0.00 N ATOM 756 CA ARG A 152 8.065 6.923 -5.448 1.00 0.00 C ATOM 757 C ARG A 152 9.075 5.997 -4.774 1.00 0.00 C ATOM 758 O ARG A 152 8.940 4.775 -4.823 1.00 0.00 O ATOM 759 CB ARG A 152 8.732 7.668 -6.604 1.00 0.00 C ATOM 760 CG ARG A 152 7.757 8.449 -7.470 1.00 0.00 C ATOM 761 CD ARG A 152 6.892 7.522 -8.310 1.00 0.00 C ATOM 762 NE ARG A 152 7.593 7.048 -9.500 1.00 0.00 N ATOM 763 CZ ARG A 152 7.032 6.277 -10.425 1.00 0.00 C ATOM 764 NH1 ARG A 152 5.768 5.896 -10.297 1.00 0.00 N ATOM 765 NH2 ARG A 152 7.736 5.887 -11.480 1.00 0.00 N ATOM 0 H ARG A 152 7.483 8.836 -4.815 1.00 0.00 H new ATOM 0 HA ARG A 152 7.248 6.317 -5.839 1.00 0.00 H new ATOM 0 HB2 ARG A 152 9.477 8.354 -6.201 1.00 0.00 H new ATOM 0 HB3 ARG A 152 9.265 6.950 -7.228 1.00 0.00 H new ATOM 0 HG2 ARG A 152 7.121 9.067 -6.837 1.00 0.00 H new ATOM 0 HG3 ARG A 152 8.309 9.124 -8.123 1.00 0.00 H new ATOM 0 HD2 ARG A 152 6.584 6.668 -7.707 1.00 0.00 H new ATOM 0 HD3 ARG A 152 5.984 8.045 -8.609 1.00 0.00 H new ATOM 0 HE ARG A 152 8.567 7.324 -9.628 1.00 0.00 H new ATOM 0 HH11 ARG A 152 5.225 6.195 -9.487 1.00 0.00 H new ATOM 0 HH12 ARG A 152 5.339 5.304 -11.008 1.00 0.00 H new ATOM 0 HH21 ARG A 152 8.708 6.179 -11.581 1.00 0.00 H new ATOM 0 HH22 ARG A 152 7.305 5.295 -12.190 1.00 0.00 H new ATOM 779 N SER A 153 10.086 6.590 -4.148 1.00 0.00 N ATOM 780 CA SER A 153 11.121 5.820 -3.468 1.00 0.00 C ATOM 781 C SER A 153 10.514 4.925 -2.393 1.00 0.00 C ATOM 782 O SER A 153 11.152 3.986 -1.918 1.00 0.00 O ATOM 783 CB SER A 153 12.157 6.757 -2.844 1.00 0.00 C ATOM 784 OG SER A 153 13.023 6.050 -1.973 1.00 0.00 O ATOM 0 H SER A 153 10.211 7.601 -4.097 1.00 0.00 H new ATOM 0 HA SER A 153 11.613 5.187 -4.207 1.00 0.00 H new ATOM 0 HB2 SER A 153 12.739 7.237 -3.631 1.00 0.00 H new ATOM 0 HB3 SER A 153 11.650 7.550 -2.294 1.00 0.00 H new ATOM 0 HG SER A 153 12.640 5.170 -1.774 1.00 0.00 H new ATOM 790 N MET A 154 9.275 5.222 -2.013 1.00 0.00 N ATOM 791 CA MET A 154 8.580 4.444 -0.994 1.00 0.00 C ATOM 792 C MET A 154 7.590 3.474 -1.632 1.00 0.00 C ATOM 793 O MET A 154 7.171 2.501 -1.006 1.00 0.00 O ATOM 794 CB MET A 154 7.849 5.373 -0.024 1.00 0.00 C ATOM 795 CG MET A 154 7.040 4.635 1.031 1.00 0.00 C ATOM 796 SD MET A 154 6.707 5.646 2.485 1.00 0.00 S ATOM 797 CE MET A 154 8.132 5.258 3.500 1.00 0.00 C ATOM 0 H MET A 154 8.732 5.996 -2.396 1.00 0.00 H new ATOM 0 HA MET A 154 9.323 3.867 -0.443 1.00 0.00 H new ATOM 0 HB2 MET A 154 8.578 6.014 0.472 1.00 0.00 H new ATOM 0 HB3 MET A 154 7.184 6.025 -0.590 1.00 0.00 H new ATOM 0 HG2 MET A 154 6.095 4.309 0.596 1.00 0.00 H new ATOM 0 HG3 MET A 154 7.579 3.737 1.334 1.00 0.00 H new ATOM 0 HE1 MET A 154 8.311 6.072 4.202 1.00 0.00 H new ATOM 0 HE2 MET A 154 7.946 4.337 4.052 1.00 0.00 H new ATOM 0 HE3 MET A 154 9.008 5.129 2.864 1.00 0.00 H new ATOM 807 N GLU A 155 7.223 3.746 -2.880 1.00 0.00 N ATOM 808 CA GLU A 155 6.281 2.897 -3.600 1.00 0.00 C ATOM 809 C GLU A 155 6.759 1.448 -3.617 1.00 0.00 C ATOM 810 O GLU A 155 5.957 0.518 -3.529 1.00 0.00 O ATOM 811 CB GLU A 155 6.097 3.402 -5.033 1.00 0.00 C ATOM 812 CG GLU A 155 5.162 4.594 -5.144 1.00 0.00 C ATOM 813 CD GLU A 155 3.723 4.187 -5.387 1.00 0.00 C ATOM 814 OE1 GLU A 155 3.500 3.053 -5.861 1.00 0.00 O ATOM 815 OE2 GLU A 155 2.818 5.000 -5.104 1.00 0.00 O ATOM 0 H GLU A 155 7.563 4.546 -3.413 1.00 0.00 H new ATOM 0 HA GLU A 155 5.323 2.940 -3.082 1.00 0.00 H new ATOM 0 HB2 GLU A 155 7.070 3.676 -5.440 1.00 0.00 H new ATOM 0 HB3 GLU A 155 5.711 2.590 -5.649 1.00 0.00 H new ATOM 0 HG2 GLU A 155 5.219 5.182 -4.228 1.00 0.00 H new ATOM 0 HG3 GLU A 155 5.496 5.238 -5.958 1.00 0.00 H new ATOM 822 N ASP A 156 8.069 1.265 -3.733 1.00 0.00 N ATOM 823 CA ASP A 156 8.654 -0.070 -3.761 1.00 0.00 C ATOM 824 C ASP A 156 8.745 -0.654 -2.355 1.00 0.00 C ATOM 825 O ASP A 156 8.842 -1.868 -2.180 1.00 0.00 O ATOM 826 CB ASP A 156 10.044 -0.028 -4.400 1.00 0.00 C ATOM 827 CG ASP A 156 10.794 -1.336 -4.242 1.00 0.00 C ATOM 828 OD1 ASP A 156 10.382 -2.335 -4.869 1.00 0.00 O ATOM 829 OD2 ASP A 156 11.793 -1.360 -3.494 1.00 0.00 O ATOM 0 H ASP A 156 8.746 2.024 -3.809 1.00 0.00 H new ATOM 0 HA ASP A 156 8.006 -0.711 -4.360 1.00 0.00 H new ATOM 0 HB2 ASP A 156 9.946 0.206 -5.460 1.00 0.00 H new ATOM 0 HB3 ASP A 156 10.624 0.777 -3.948 1.00 0.00 H new ATOM 834 N PHE A 157 8.716 0.220 -1.354 1.00 0.00 N ATOM 835 CA PHE A 157 8.797 -0.208 0.038 1.00 0.00 C ATOM 836 C PHE A 157 7.427 -0.630 0.558 1.00 0.00 C ATOM 837 O PHE A 157 7.190 -0.658 1.766 1.00 0.00 O ATOM 838 CB PHE A 157 9.362 0.918 0.908 1.00 0.00 C ATOM 839 CG PHE A 157 10.863 0.960 0.933 1.00 0.00 C ATOM 840 CD1 PHE A 157 11.589 -0.079 1.492 1.00 0.00 C ATOM 841 CD2 PHE A 157 11.548 2.039 0.397 1.00 0.00 C ATOM 842 CE1 PHE A 157 12.970 -0.042 1.517 1.00 0.00 C ATOM 843 CE2 PHE A 157 12.929 2.081 0.419 1.00 0.00 C ATOM 844 CZ PHE A 157 13.641 1.039 0.980 1.00 0.00 C ATOM 0 H PHE A 157 8.637 1.229 -1.481 1.00 0.00 H new ATOM 0 HA PHE A 157 9.465 -1.067 0.090 1.00 0.00 H new ATOM 0 HB2 PHE A 157 8.986 1.873 0.542 1.00 0.00 H new ATOM 0 HB3 PHE A 157 8.993 0.800 1.927 1.00 0.00 H new ATOM 0 HD1 PHE A 157 11.070 -0.927 1.913 1.00 0.00 H new ATOM 0 HD2 PHE A 157 10.996 2.856 -0.043 1.00 0.00 H new ATOM 0 HE1 PHE A 157 13.524 -0.858 1.956 1.00 0.00 H new ATOM 0 HE2 PHE A 157 13.451 2.928 -0.002 1.00 0.00 H new ATOM 0 HZ PHE A 157 14.720 1.069 0.999 1.00 0.00 H new ATOM 854 N VAL A 158 6.525 -0.956 -0.363 1.00 0.00 N ATOM 855 CA VAL A 158 5.178 -1.376 0.001 1.00 0.00 C ATOM 856 C VAL A 158 5.074 -2.897 0.062 1.00 0.00 C ATOM 857 O VAL A 158 5.333 -3.588 -0.923 1.00 0.00 O ATOM 858 CB VAL A 158 4.134 -0.842 -0.997 1.00 0.00 C ATOM 859 CG1 VAL A 158 2.754 -1.398 -0.677 1.00 0.00 C ATOM 860 CG2 VAL A 158 4.119 0.679 -0.989 1.00 0.00 C ATOM 0 H VAL A 158 6.704 -0.937 -1.367 1.00 0.00 H new ATOM 0 HA VAL A 158 4.973 -0.960 0.987 1.00 0.00 H new ATOM 0 HB VAL A 158 4.410 -1.175 -1.997 1.00 0.00 H new ATOM 0 HG11 VAL A 158 2.030 -1.009 -1.393 1.00 0.00 H new ATOM 0 HG12 VAL A 158 2.777 -2.486 -0.739 1.00 0.00 H new ATOM 0 HG13 VAL A 158 2.465 -1.098 0.330 1.00 0.00 H new ATOM 0 HG21 VAL A 158 3.376 1.039 -1.700 1.00 0.00 H new ATOM 0 HG22 VAL A 158 3.868 1.035 0.010 1.00 0.00 H new ATOM 0 HG23 VAL A 158 5.103 1.054 -1.271 1.00 0.00 H new ATOM 870 N THR A 159 4.694 -3.412 1.227 1.00 0.00 N ATOM 871 CA THR A 159 4.556 -4.850 1.418 1.00 0.00 C ATOM 872 C THR A 159 3.332 -5.178 2.266 1.00 0.00 C ATOM 873 O THR A 159 2.843 -4.335 3.018 1.00 0.00 O ATOM 874 CB THR A 159 5.806 -5.450 2.089 1.00 0.00 C ATOM 875 OG1 THR A 159 5.611 -6.848 2.328 1.00 0.00 O ATOM 876 CG2 THR A 159 6.109 -4.742 3.401 1.00 0.00 C ATOM 0 H THR A 159 4.476 -2.854 2.053 1.00 0.00 H new ATOM 0 HA THR A 159 4.437 -5.290 0.428 1.00 0.00 H new ATOM 0 HB THR A 159 6.653 -5.312 1.417 1.00 0.00 H new ATOM 0 HG1 THR A 159 6.411 -7.222 2.753 1.00 0.00 H new ATOM 0 HG21 THR A 159 6.996 -5.183 3.856 1.00 0.00 H new ATOM 0 HG22 THR A 159 6.287 -3.684 3.211 1.00 0.00 H new ATOM 0 HG23 THR A 159 5.261 -4.851 4.078 1.00 0.00 H new ATOM 884 N TRP A 160 2.844 -6.406 2.142 1.00 0.00 N ATOM 885 CA TRP A 160 1.676 -6.844 2.899 1.00 0.00 C ATOM 886 C TRP A 160 2.077 -7.317 4.293 1.00 0.00 C ATOM 887 O TRP A 160 3.030 -8.079 4.450 1.00 0.00 O ATOM 888 CB TRP A 160 0.954 -7.968 2.155 1.00 0.00 C ATOM 889 CG TRP A 160 0.103 -7.479 1.021 1.00 0.00 C ATOM 890 CD1 TRP A 160 0.450 -7.424 -0.299 1.00 0.00 C ATOM 891 CD2 TRP A 160 -1.234 -6.975 1.109 1.00 0.00 C ATOM 892 NE1 TRP A 160 -0.591 -6.916 -1.038 1.00 0.00 N ATOM 893 CE2 TRP A 160 -1.636 -6.633 -0.198 1.00 0.00 C ATOM 894 CE3 TRP A 160 -2.131 -6.780 2.162 1.00 0.00 C ATOM 895 CZ2 TRP A 160 -2.895 -6.108 -0.475 1.00 0.00 C ATOM 896 CZ3 TRP A 160 -3.380 -6.259 1.885 1.00 0.00 C ATOM 897 CH2 TRP A 160 -3.754 -5.928 0.575 1.00 0.00 C ATOM 0 H TRP A 160 3.238 -7.116 1.525 1.00 0.00 H new ATOM 0 HA TRP A 160 1.002 -5.994 3.004 1.00 0.00 H new ATOM 0 HB2 TRP A 160 1.692 -8.671 1.769 1.00 0.00 H new ATOM 0 HB3 TRP A 160 0.328 -8.517 2.859 1.00 0.00 H new ATOM 0 HD1 TRP A 160 1.403 -7.734 -0.702 1.00 0.00 H new ATOM 0 HE1 TRP A 160 -0.587 -6.773 -2.048 1.00 0.00 H new ATOM 0 HE3 TRP A 160 -1.853 -7.032 3.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 160 -3.184 -5.852 -1.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 160 -4.081 -6.104 2.692 1.00 0.00 H new ATOM 0 HH2 TRP A 160 -4.738 -5.523 0.391 1.00 0.00 H new ATOM 908 N VAL A 161 1.342 -6.859 5.302 1.00 0.00 N ATOM 909 CA VAL A 161 1.622 -7.235 6.682 1.00 0.00 C ATOM 910 C VAL A 161 1.812 -8.743 6.813 1.00 0.00 C ATOM 911 O VAL A 161 2.685 -9.207 7.545 1.00 0.00 O ATOM 912 CB VAL A 161 0.488 -6.789 7.625 1.00 0.00 C ATOM 913 CG1 VAL A 161 0.737 -7.297 9.037 1.00 0.00 C ATOM 914 CG2 VAL A 161 0.349 -5.275 7.610 1.00 0.00 C ATOM 0 H VAL A 161 0.549 -6.228 5.189 1.00 0.00 H new ATOM 0 HA VAL A 161 2.544 -6.729 6.968 1.00 0.00 H new ATOM 0 HB VAL A 161 -0.448 -7.220 7.270 1.00 0.00 H new ATOM 0 HG11 VAL A 161 -0.074 -6.972 9.689 1.00 0.00 H new ATOM 0 HG12 VAL A 161 0.782 -8.386 9.029 1.00 0.00 H new ATOM 0 HG13 VAL A 161 1.681 -6.897 9.406 1.00 0.00 H new ATOM 0 HG21 VAL A 161 -0.456 -4.977 8.281 1.00 0.00 H new ATOM 0 HG22 VAL A 161 1.283 -4.821 7.940 1.00 0.00 H new ATOM 0 HG23 VAL A 161 0.120 -4.941 6.598 1.00 0.00 H new