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 151 THR OG1 : rot 115:sc= 0.422 USER MOD Set 1.2: A 153 SER OG : rot 74:sc= 1.32 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 -171:sc= -1.45 (180deg=-1.48) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 123 HIS : no HD1:sc= -3.82 K(o=-3.8,f=-4.7!) USER MOD Single : A 125 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 135 HIS :FLIP no HD1:sc= -1.12 F(o=-2.3!,f=-1.1) USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD Single : A 154 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 159 THR OG1 : rot 180:sc= -0.145 USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 109 1.139 10.024 -2.352 1.00 0.00 N ATOM 67 CA ARG A 109 -0.229 9.587 -2.599 1.00 0.00 C ATOM 68 C ARG A 109 -0.716 8.669 -1.481 1.00 0.00 C ATOM 69 O ARG A 109 0.083 8.021 -0.803 1.00 0.00 O ATOM 70 CB ARG A 109 -0.321 8.862 -3.943 1.00 0.00 C ATOM 71 CG ARG A 109 0.098 9.719 -5.126 1.00 0.00 C ATOM 72 CD ARG A 109 0.061 8.931 -6.426 1.00 0.00 C ATOM 73 NE ARG A 109 0.076 9.804 -7.597 1.00 0.00 N ATOM 74 CZ ARG A 109 0.487 9.415 -8.799 1.00 0.00 C ATOM 75 NH1 ARG A 109 0.913 8.174 -8.988 1.00 0.00 N ATOM 76 NH2 ARG A 109 0.470 10.268 -9.815 1.00 0.00 N ATOM 0 HA ARG A 109 -0.867 10.471 -2.626 1.00 0.00 H new ATOM 0 HB2 ARG A 109 0.307 7.971 -3.910 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -1.346 8.524 -4.095 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -0.563 10.582 -5.204 1.00 0.00 H new ATOM 0 HG3 ARG A 109 1.105 10.103 -4.960 1.00 0.00 H new ATOM 0 HD2 ARG A 109 0.917 8.257 -6.466 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -0.835 8.310 -6.448 1.00 0.00 H new ATOM 0 HE ARG A 109 -0.247 10.765 -7.486 1.00 0.00 H new ATOM 0 HH11 ARG A 109 0.926 7.515 -8.210 1.00 0.00 H new ATOM 0 HH12 ARG A 109 1.228 7.878 -9.912 1.00 0.00 H new ATOM 0 HH21 ARG A 109 0.141 11.223 -9.674 1.00 0.00 H new ATOM 0 HH22 ARG A 109 0.786 9.969 -10.738 1.00 0.00 H new ATOM 90 N ARG A 110 -2.031 8.621 -1.292 1.00 0.00 N ATOM 91 CA ARG A 110 -2.624 7.785 -0.255 1.00 0.00 C ATOM 92 C ARG A 110 -2.290 6.314 -0.486 1.00 0.00 C ATOM 93 O ARG A 110 -2.206 5.857 -1.628 1.00 0.00 O ATOM 94 CB ARG A 110 -4.141 7.976 -0.223 1.00 0.00 C ATOM 95 CG ARG A 110 -4.583 9.398 -0.529 1.00 0.00 C ATOM 96 CD ARG A 110 -5.976 9.678 0.014 1.00 0.00 C ATOM 97 NE ARG A 110 -7.021 9.217 -0.896 1.00 0.00 N ATOM 98 CZ ARG A 110 -8.319 9.378 -0.666 1.00 0.00 C ATOM 99 NH1 ARG A 110 -8.729 9.985 0.439 1.00 0.00 N ATOM 100 NH2 ARG A 110 -9.210 8.932 -1.542 1.00 0.00 N ATOM 0 H ARG A 110 -2.706 9.151 -1.843 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.206 8.088 0.705 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -4.599 7.299 -0.944 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -4.514 7.693 0.761 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -3.874 10.102 -0.094 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -4.572 9.559 -1.607 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -6.094 9.187 0.980 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -6.090 10.749 0.185 1.00 0.00 H new ATOM 0 HE ARG A 110 -6.738 8.746 -1.755 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -8.047 10.330 1.115 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -9.726 10.108 0.613 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -8.898 8.465 -2.393 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -10.207 9.056 -1.364 1.00 0.00 H new ATOM 114 N LEU A 111 -2.103 5.577 0.603 1.00 0.00 N ATOM 115 CA LEU A 111 -1.778 4.158 0.521 1.00 0.00 C ATOM 116 C LEU A 111 -2.820 3.409 -0.305 1.00 0.00 C ATOM 117 O LEU A 111 -2.496 2.552 -1.128 1.00 0.00 O ATOM 118 CB LEU A 111 -1.690 3.552 1.922 1.00 0.00 C ATOM 119 CG LEU A 111 -0.895 2.251 2.042 1.00 0.00 C ATOM 120 CD1 LEU A 111 0.580 2.500 1.765 1.00 0.00 C ATOM 121 CD2 LEU A 111 -1.084 1.637 3.422 1.00 0.00 C ATOM 0 H LEU A 111 -2.171 5.939 1.554 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.810 4.060 0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.243 4.290 2.588 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -2.703 3.370 2.282 1.00 0.00 H new ATOM 0 HG LEU A 111 -1.270 1.548 1.298 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.130 1.563 1.855 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.699 2.895 0.756 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.969 3.220 2.485 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -0.511 0.712 3.490 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -0.736 2.336 4.182 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -2.140 1.423 3.583 1.00 0.00 H new ATOM 133 N PRO A 112 -4.100 3.738 -0.083 1.00 0.00 N ATOM 134 CA PRO A 112 -5.216 3.111 -0.799 1.00 0.00 C ATOM 135 C PRO A 112 -5.035 3.161 -2.311 1.00 0.00 C ATOM 136 O PRO A 112 -5.296 2.182 -3.012 1.00 0.00 O ATOM 137 CB PRO A 112 -6.425 3.948 -0.375 1.00 0.00 C ATOM 138 CG PRO A 112 -6.050 4.511 0.952 1.00 0.00 C ATOM 139 CD PRO A 112 -4.559 4.751 0.883 1.00 0.00 C ATOM 0 HA PRO A 112 -5.310 2.052 -0.560 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -6.632 4.739 -1.096 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -7.325 3.337 -0.306 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -6.588 5.438 1.151 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -6.299 3.819 1.756 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -4.329 5.762 0.546 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -4.085 4.623 1.856 1.00 0.00 H new ATOM 147 N THR A 113 -4.588 4.309 -2.812 1.00 0.00 N ATOM 148 CA THR A 113 -4.373 4.488 -4.242 1.00 0.00 C ATOM 149 C THR A 113 -3.187 3.661 -4.728 1.00 0.00 C ATOM 150 O THR A 113 -3.256 3.012 -5.771 1.00 0.00 O ATOM 151 CB THR A 113 -4.131 5.968 -4.594 1.00 0.00 C ATOM 152 OG1 THR A 113 -5.216 6.769 -4.113 1.00 0.00 O ATOM 153 CG2 THR A 113 -3.985 6.151 -6.096 1.00 0.00 C ATOM 0 H THR A 113 -4.368 5.129 -2.247 1.00 0.00 H new ATOM 0 HA THR A 113 -5.280 4.147 -4.742 1.00 0.00 H new ATOM 0 HB THR A 113 -3.205 6.286 -4.115 1.00 0.00 H new ATOM 0 HG1 THR A 113 -5.054 7.709 -4.339 1.00 0.00 H new ATOM 0 HG21 THR A 113 -3.815 7.204 -6.319 1.00 0.00 H new ATOM 0 HG22 THR A 113 -3.140 5.563 -6.454 1.00 0.00 H new ATOM 0 HG23 THR A 113 -4.896 5.817 -6.593 1.00 0.00 H new ATOM 161 N VAL A 114 -2.100 3.690 -3.964 1.00 0.00 N ATOM 162 CA VAL A 114 -0.899 2.941 -4.317 1.00 0.00 C ATOM 163 C VAL A 114 -1.188 1.447 -4.401 1.00 0.00 C ATOM 164 O VAL A 114 -0.616 0.739 -5.231 1.00 0.00 O ATOM 165 CB VAL A 114 0.229 3.178 -3.294 1.00 0.00 C ATOM 166 CG1 VAL A 114 1.499 2.460 -3.726 1.00 0.00 C ATOM 167 CG2 VAL A 114 0.483 4.666 -3.116 1.00 0.00 C ATOM 0 H VAL A 114 -2.026 4.223 -3.098 1.00 0.00 H new ATOM 0 HA VAL A 114 -0.576 3.301 -5.294 1.00 0.00 H new ATOM 0 HB VAL A 114 -0.083 2.769 -2.333 1.00 0.00 H new ATOM 0 HG11 VAL A 114 2.285 2.638 -2.992 1.00 0.00 H new ATOM 0 HG12 VAL A 114 1.305 1.390 -3.798 1.00 0.00 H new ATOM 0 HG13 VAL A 114 1.818 2.837 -4.698 1.00 0.00 H new ATOM 0 HG21 VAL A 114 1.283 4.814 -2.390 1.00 0.00 H new ATOM 0 HG22 VAL A 114 0.775 5.102 -4.071 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -0.426 5.150 -2.759 1.00 0.00 H new ATOM 177 N LEU A 115 -2.081 0.973 -3.539 1.00 0.00 N ATOM 178 CA LEU A 115 -2.446 -0.439 -3.516 1.00 0.00 C ATOM 179 C LEU A 115 -3.275 -0.807 -4.743 1.00 0.00 C ATOM 180 O LEU A 115 -3.023 -1.820 -5.395 1.00 0.00 O ATOM 181 CB LEU A 115 -3.229 -0.763 -2.243 1.00 0.00 C ATOM 182 CG LEU A 115 -2.394 -1.137 -1.018 1.00 0.00 C ATOM 183 CD1 LEU A 115 -3.203 -0.953 0.256 1.00 0.00 C ATOM 184 CD2 LEU A 115 -1.893 -2.569 -1.132 1.00 0.00 C ATOM 0 H LEU A 115 -2.565 1.545 -2.847 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.528 -1.026 -3.530 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -3.844 0.101 -1.989 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -3.910 -1.586 -2.459 1.00 0.00 H new ATOM 0 HG LEU A 115 -1.530 -0.473 -0.974 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -2.592 -1.224 1.117 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -3.512 0.089 0.344 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -4.086 -1.592 0.222 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.301 -2.818 -0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -2.743 -3.248 -1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -1.276 -2.669 -2.025 1.00 0.00 H new ATOM 196 N LEU A 116 -4.264 0.025 -5.053 1.00 0.00 N ATOM 197 CA LEU A 116 -5.129 -0.210 -6.204 1.00 0.00 C ATOM 198 C LEU A 116 -4.326 -0.193 -7.501 1.00 0.00 C ATOM 199 O LEU A 116 -4.641 -0.915 -8.448 1.00 0.00 O ATOM 200 CB LEU A 116 -6.234 0.846 -6.261 1.00 0.00 C ATOM 201 CG LEU A 116 -7.328 0.730 -5.199 1.00 0.00 C ATOM 202 CD1 LEU A 116 -8.181 1.989 -5.173 1.00 0.00 C ATOM 203 CD2 LEU A 116 -8.191 -0.497 -5.454 1.00 0.00 C ATOM 0 H LEU A 116 -4.487 0.868 -4.523 1.00 0.00 H new ATOM 0 HA LEU A 116 -5.582 -1.195 -6.092 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -5.773 1.830 -6.174 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -6.703 0.800 -7.244 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.852 0.618 -4.225 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -8.954 1.889 -4.411 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -7.553 2.849 -4.941 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -8.648 2.132 -6.147 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -8.964 -0.564 -4.689 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -8.658 -0.416 -6.435 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -7.570 -1.392 -5.421 1.00 0.00 H new ATOM 215 N LYS A 117 -3.287 0.634 -7.537 1.00 0.00 N ATOM 216 CA LYS A 117 -2.436 0.742 -8.716 1.00 0.00 C ATOM 217 C LYS A 117 -1.505 -0.461 -8.828 1.00 0.00 C ATOM 218 O LYS A 117 -1.243 -0.956 -9.925 1.00 0.00 O ATOM 219 CB LYS A 117 -1.615 2.032 -8.660 1.00 0.00 C ATOM 220 CG LYS A 117 -0.572 2.139 -9.758 1.00 0.00 C ATOM 221 CD LYS A 117 0.752 1.528 -9.332 1.00 0.00 C ATOM 222 CE LYS A 117 1.924 2.187 -10.044 1.00 0.00 C ATOM 223 NZ LYS A 117 3.231 1.760 -9.472 1.00 0.00 N ATOM 0 H LYS A 117 -3.014 1.240 -6.763 1.00 0.00 H new ATOM 0 HA LYS A 117 -3.078 0.764 -9.596 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -2.290 2.885 -8.728 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -1.118 2.095 -7.692 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -0.934 1.636 -10.655 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -0.423 3.187 -10.018 1.00 0.00 H new ATOM 0 HD2 LYS A 117 0.873 1.635 -8.254 1.00 0.00 H new ATOM 0 HD3 LYS A 117 0.747 0.460 -9.548 1.00 0.00 H new ATOM 0 HE2 LYS A 117 1.892 1.936 -11.104 1.00 0.00 H new ATOM 0 HE3 LYS A 117 1.832 3.271 -9.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 4.004 2.231 -9.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 3.272 2.022 -8.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 3.331 0.729 -9.566 1.00 0.00 H new ATOM 237 N LEU A 118 -1.008 -0.927 -7.688 1.00 0.00 N ATOM 238 CA LEU A 118 -0.106 -2.074 -7.658 1.00 0.00 C ATOM 239 C LEU A 118 -0.890 -3.382 -7.670 1.00 0.00 C ATOM 240 O LEU A 118 -0.388 -4.422 -7.241 1.00 0.00 O ATOM 241 CB LEU A 118 0.787 -2.012 -6.418 1.00 0.00 C ATOM 242 CG LEU A 118 1.918 -0.984 -6.456 1.00 0.00 C ATOM 243 CD1 LEU A 118 2.658 -0.954 -5.128 1.00 0.00 C ATOM 244 CD2 LEU A 118 2.878 -1.289 -7.597 1.00 0.00 C ATOM 0 H LEU A 118 -1.214 -0.529 -6.772 1.00 0.00 H new ATOM 0 HA LEU A 118 0.519 -2.038 -8.550 1.00 0.00 H new ATOM 0 HB2 LEU A 118 0.159 -1.800 -5.553 1.00 0.00 H new ATOM 0 HB3 LEU A 118 1.224 -2.998 -6.260 1.00 0.00 H new ATOM 0 HG LEU A 118 1.482 0.000 -6.627 1.00 0.00 H new ATOM 0 HD11 LEU A 118 3.459 -0.216 -5.175 1.00 0.00 H new ATOM 0 HD12 LEU A 118 1.964 -0.686 -4.331 1.00 0.00 H new ATOM 0 HD13 LEU A 118 3.082 -1.938 -4.925 1.00 0.00 H new ATOM 0 HD21 LEU A 118 3.677 -0.547 -7.609 1.00 0.00 H new ATOM 0 HD22 LEU A 118 3.307 -2.281 -7.456 1.00 0.00 H new ATOM 0 HD23 LEU A 118 2.339 -1.257 -8.544 1.00 0.00 H new ATOM 256 N ARG A 119 -2.123 -3.323 -8.165 1.00 0.00 N ATOM 257 CA ARG A 119 -2.975 -4.504 -8.233 1.00 0.00 C ATOM 258 C ARG A 119 -3.004 -5.233 -6.893 1.00 0.00 C ATOM 259 O ARG A 119 -3.222 -6.443 -6.838 1.00 0.00 O ATOM 260 CB ARG A 119 -2.484 -5.451 -9.330 1.00 0.00 C ATOM 261 CG ARG A 119 -2.851 -5.000 -10.734 1.00 0.00 C ATOM 262 CD ARG A 119 -4.296 -5.337 -11.067 1.00 0.00 C ATOM 263 NE ARG A 119 -4.733 -4.705 -12.309 1.00 0.00 N ATOM 264 CZ ARG A 119 -6.009 -4.536 -12.638 1.00 0.00 C ATOM 265 NH1 ARG A 119 -6.968 -4.950 -11.822 1.00 0.00 N ATOM 266 NH2 ARG A 119 -6.327 -3.951 -13.786 1.00 0.00 N ATOM 0 H ARG A 119 -2.553 -2.471 -8.524 1.00 0.00 H new ATOM 0 HA ARG A 119 -3.987 -4.177 -8.471 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -1.400 -5.544 -9.259 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -2.901 -6.443 -9.156 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -2.697 -3.925 -10.824 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -2.189 -5.478 -11.456 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -4.406 -6.418 -11.152 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -4.941 -5.015 -10.250 1.00 0.00 H new ATOM 0 HE ARG A 119 -4.020 -4.375 -12.959 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -6.727 -5.400 -10.939 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -7.947 -4.819 -12.077 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -5.592 -3.631 -14.416 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -7.307 -3.821 -14.038 1.00 0.00 H new ATOM 280 N MET A 120 -2.782 -4.488 -5.815 1.00 0.00 N ATOM 281 CA MET A 120 -2.784 -5.063 -4.475 1.00 0.00 C ATOM 282 C MET A 120 -4.207 -5.202 -3.945 1.00 0.00 C ATOM 283 O MET A 120 -4.526 -6.160 -3.241 1.00 0.00 O ATOM 284 CB MET A 120 -1.956 -4.195 -3.524 1.00 0.00 C ATOM 285 CG MET A 120 -0.520 -3.996 -3.979 1.00 0.00 C ATOM 286 SD MET A 120 0.576 -5.313 -3.417 1.00 0.00 S ATOM 287 CE MET A 120 1.102 -4.664 -1.832 1.00 0.00 C ATOM 0 H MET A 120 -2.598 -3.485 -5.843 1.00 0.00 H new ATOM 0 HA MET A 120 -2.338 -6.056 -4.532 1.00 0.00 H new ATOM 0 HB2 MET A 120 -2.435 -3.221 -3.424 1.00 0.00 H new ATOM 0 HB3 MET A 120 -1.955 -4.653 -2.535 1.00 0.00 H new ATOM 0 HG2 MET A 120 -0.492 -3.945 -5.067 1.00 0.00 H new ATOM 0 HG3 MET A 120 -0.154 -3.040 -3.605 1.00 0.00 H new ATOM 0 HE1 MET A 120 1.904 -5.285 -1.433 1.00 0.00 H new ATOM 0 HE2 MET A 120 1.462 -3.643 -1.958 1.00 0.00 H new ATOM 0 HE3 MET A 120 0.260 -4.669 -1.139 1.00 0.00 H new ATOM 297 N ALA A 121 -5.059 -4.241 -4.288 1.00 0.00 N ATOM 298 CA ALA A 121 -6.448 -4.260 -3.849 1.00 0.00 C ATOM 299 C ALA A 121 -7.401 -4.245 -5.039 1.00 0.00 C ATOM 300 O ALA A 121 -6.973 -4.125 -6.187 1.00 0.00 O ATOM 301 CB ALA A 121 -6.727 -3.077 -2.933 1.00 0.00 C ATOM 0 H ALA A 121 -4.811 -3.440 -4.869 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.615 -5.184 -3.295 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -7.768 -3.103 -2.612 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -6.077 -3.132 -2.060 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -6.536 -2.148 -3.470 1.00 0.00 H new ATOM 307 N GLN A 122 -8.694 -4.370 -4.758 1.00 0.00 N ATOM 308 CA GLN A 122 -9.707 -4.373 -5.807 1.00 0.00 C ATOM 309 C GLN A 122 -10.289 -2.978 -6.005 1.00 0.00 C ATOM 310 O GLN A 122 -10.140 -2.377 -7.070 1.00 0.00 O ATOM 311 CB GLN A 122 -10.824 -5.362 -5.464 1.00 0.00 C ATOM 312 CG GLN A 122 -11.894 -5.467 -6.539 1.00 0.00 C ATOM 313 CD GLN A 122 -11.493 -6.392 -7.672 1.00 0.00 C ATOM 314 OE1 GLN A 122 -11.294 -7.589 -7.470 1.00 0.00 O ATOM 315 NE2 GLN A 122 -11.375 -5.838 -8.873 1.00 0.00 N ATOM 0 H GLN A 122 -9.065 -4.470 -3.813 1.00 0.00 H new ATOM 0 HA GLN A 122 -9.231 -4.683 -6.737 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -10.388 -6.347 -5.300 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -11.291 -5.060 -4.527 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -12.820 -5.827 -6.091 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -12.099 -4.475 -6.940 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -11.550 -4.840 -8.994 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -11.110 -6.410 -9.675 1.00 0.00 H new ATOM 324 N HIS A 123 -10.955 -2.468 -4.974 1.00 0.00 N ATOM 325 CA HIS A 123 -11.561 -1.142 -5.035 1.00 0.00 C ATOM 326 C HIS A 123 -11.077 -0.271 -3.880 1.00 0.00 C ATOM 327 O HIS A 123 -10.362 -0.737 -2.993 1.00 0.00 O ATOM 328 CB HIS A 123 -13.085 -1.253 -5.002 1.00 0.00 C ATOM 329 CG HIS A 123 -13.590 -2.288 -4.045 1.00 0.00 C ATOM 330 ND1 HIS A 123 -14.201 -1.974 -2.850 1.00 0.00 N ATOM 331 CD2 HIS A 123 -13.574 -3.640 -4.115 1.00 0.00 C ATOM 332 CE1 HIS A 123 -14.537 -3.088 -2.224 1.00 0.00 C ATOM 333 NE2 HIS A 123 -14.168 -4.113 -2.970 1.00 0.00 N ATOM 0 H HIS A 123 -11.089 -2.952 -4.086 1.00 0.00 H new ATOM 0 HA HIS A 123 -11.259 -0.674 -5.972 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -13.506 -0.284 -4.732 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -13.446 -1.489 -6.003 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -13.170 -4.235 -4.920 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -15.030 -3.150 -1.265 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -14.302 -5.096 -2.734 1.00 0.00 H new ATOM 341 N LEU A 124 -11.470 0.998 -3.899 1.00 0.00 N ATOM 342 CA LEU A 124 -11.076 1.937 -2.853 1.00 0.00 C ATOM 343 C LEU A 124 -11.510 1.434 -1.479 1.00 0.00 C ATOM 344 O LEU A 124 -10.751 1.513 -0.513 1.00 0.00 O ATOM 345 CB LEU A 124 -11.686 3.314 -3.121 1.00 0.00 C ATOM 346 CG LEU A 124 -11.304 4.420 -2.136 1.00 0.00 C ATOM 347 CD1 LEU A 124 -9.815 4.717 -2.218 1.00 0.00 C ATOM 348 CD2 LEU A 124 -12.116 5.678 -2.406 1.00 0.00 C ATOM 0 H LEU A 124 -12.061 1.401 -4.626 1.00 0.00 H new ATOM 0 HA LEU A 124 -9.989 2.020 -2.863 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -11.394 3.630 -4.122 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -12.771 3.215 -3.122 1.00 0.00 H new ATOM 0 HG LEU A 124 -11.530 4.075 -1.127 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -9.562 5.506 -1.510 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -9.251 3.817 -1.975 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -9.564 5.041 -3.228 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -11.831 6.454 -1.696 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -11.922 6.025 -3.421 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -13.178 5.457 -2.295 1.00 0.00 H new ATOM 360 N GLN A 125 -12.731 0.917 -1.402 1.00 0.00 N ATOM 361 CA GLN A 125 -13.265 0.401 -0.147 1.00 0.00 C ATOM 362 C GLN A 125 -12.433 -0.775 0.355 1.00 0.00 C ATOM 363 O GLN A 125 -12.190 -0.909 1.553 1.00 0.00 O ATOM 364 CB GLN A 125 -14.721 -0.029 -0.325 1.00 0.00 C ATOM 365 CG GLN A 125 -15.549 0.088 0.944 1.00 0.00 C ATOM 366 CD GLN A 125 -16.988 -0.348 0.744 1.00 0.00 C ATOM 367 OE1 GLN A 125 -17.507 -0.323 -0.371 1.00 0.00 O ATOM 368 NE2 GLN A 125 -17.639 -0.752 1.829 1.00 0.00 N ATOM 0 H GLN A 125 -13.370 0.844 -2.194 1.00 0.00 H new ATOM 0 HA GLN A 125 -13.218 1.199 0.594 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -15.178 0.580 -1.105 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -14.746 -1.062 -0.672 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -15.095 -0.519 1.727 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -15.531 1.121 1.291 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -17.169 -0.756 2.734 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -18.609 -1.058 1.757 1.00 0.00 H new ATOM 377 N ALA A 126 -11.998 -1.623 -0.571 1.00 0.00 N ATOM 378 CA ALA A 126 -11.192 -2.787 -0.223 1.00 0.00 C ATOM 379 C ALA A 126 -9.813 -2.370 0.275 1.00 0.00 C ATOM 380 O ALA A 126 -9.341 -2.858 1.302 1.00 0.00 O ATOM 381 CB ALA A 126 -11.064 -3.718 -1.420 1.00 0.00 C ATOM 0 H ALA A 126 -12.190 -1.526 -1.568 1.00 0.00 H new ATOM 0 HA ALA A 126 -11.696 -3.319 0.584 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -10.460 -4.583 -1.145 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -12.055 -4.051 -1.729 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -10.586 -3.188 -2.244 1.00 0.00 H new ATOM 387 N ALA A 127 -9.172 -1.466 -0.458 1.00 0.00 N ATOM 388 CA ALA A 127 -7.847 -0.983 -0.089 1.00 0.00 C ATOM 389 C ALA A 127 -7.893 -0.203 1.221 1.00 0.00 C ATOM 390 O ALA A 127 -7.021 -0.355 2.077 1.00 0.00 O ATOM 391 CB ALA A 127 -7.272 -0.119 -1.201 1.00 0.00 C ATOM 0 H ALA A 127 -9.549 -1.053 -1.311 1.00 0.00 H new ATOM 0 HA ALA A 127 -7.199 -1.847 0.056 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -6.282 0.235 -0.912 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -7.194 -0.707 -2.115 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -7.927 0.735 -1.374 1.00 0.00 H new ATOM 397 N VAL A 128 -8.914 0.634 1.370 1.00 0.00 N ATOM 398 CA VAL A 128 -9.073 1.439 2.575 1.00 0.00 C ATOM 399 C VAL A 128 -9.241 0.555 3.808 1.00 0.00 C ATOM 400 O VAL A 128 -8.615 0.789 4.841 1.00 0.00 O ATOM 401 CB VAL A 128 -10.286 2.382 2.466 1.00 0.00 C ATOM 402 CG1 VAL A 128 -10.529 3.096 3.786 1.00 0.00 C ATOM 403 CG2 VAL A 128 -10.081 3.383 1.339 1.00 0.00 C ATOM 0 H VAL A 128 -9.644 0.772 0.671 1.00 0.00 H new ATOM 0 HA VAL A 128 -8.167 2.036 2.678 1.00 0.00 H new ATOM 0 HB VAL A 128 -11.169 1.785 2.237 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -11.390 3.757 3.689 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -10.723 2.361 4.567 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -9.649 3.682 4.050 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -10.947 4.042 1.275 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -9.188 3.976 1.537 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -9.961 2.850 0.396 1.00 0.00 H new ATOM 413 N ALA A 129 -10.088 -0.462 3.689 1.00 0.00 N ATOM 414 CA ALA A 129 -10.336 -1.382 4.792 1.00 0.00 C ATOM 415 C ALA A 129 -9.056 -2.100 5.205 1.00 0.00 C ATOM 416 O ALA A 129 -8.779 -2.263 6.394 1.00 0.00 O ATOM 417 CB ALA A 129 -11.408 -2.390 4.407 1.00 0.00 C ATOM 0 H ALA A 129 -10.614 -0.670 2.840 1.00 0.00 H new ATOM 0 HA ALA A 129 -10.688 -0.802 5.645 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -11.583 -3.071 5.240 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -12.332 -1.864 4.167 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -11.078 -2.958 3.537 1.00 0.00 H new ATOM 423 N PHE A 130 -8.279 -2.529 4.217 1.00 0.00 N ATOM 424 CA PHE A 130 -7.028 -3.234 4.478 1.00 0.00 C ATOM 425 C PHE A 130 -6.061 -2.350 5.261 1.00 0.00 C ATOM 426 O PHE A 130 -5.396 -2.809 6.189 1.00 0.00 O ATOM 427 CB PHE A 130 -6.383 -3.676 3.163 1.00 0.00 C ATOM 428 CG PHE A 130 -7.090 -4.827 2.507 1.00 0.00 C ATOM 429 CD1 PHE A 130 -7.457 -5.943 3.242 1.00 0.00 C ATOM 430 CD2 PHE A 130 -7.386 -4.795 1.154 1.00 0.00 C ATOM 431 CE1 PHE A 130 -8.107 -7.003 2.641 1.00 0.00 C ATOM 432 CE2 PHE A 130 -8.037 -5.852 0.547 1.00 0.00 C ATOM 433 CZ PHE A 130 -8.397 -6.959 1.291 1.00 0.00 C ATOM 0 H PHE A 130 -8.493 -2.401 3.228 1.00 0.00 H new ATOM 0 HA PHE A 130 -7.254 -4.116 5.077 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -6.364 -2.831 2.475 1.00 0.00 H new ATOM 0 HB3 PHE A 130 -5.347 -3.956 3.352 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -7.232 -5.984 4.297 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -7.105 -3.934 0.567 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -8.388 -7.866 3.226 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -8.264 -5.813 -0.508 1.00 0.00 H new ATOM 0 HZ PHE A 130 -8.904 -7.788 0.819 1.00 0.00 H new ATOM 443 N VAL A 131 -5.988 -1.079 4.878 1.00 0.00 N ATOM 444 CA VAL A 131 -5.103 -0.130 5.543 1.00 0.00 C ATOM 445 C VAL A 131 -5.444 -0.003 7.023 1.00 0.00 C ATOM 446 O VAL A 131 -4.582 -0.165 7.885 1.00 0.00 O ATOM 447 CB VAL A 131 -5.179 1.263 4.889 1.00 0.00 C ATOM 448 CG1 VAL A 131 -4.212 2.223 5.563 1.00 0.00 C ATOM 449 CG2 VAL A 131 -4.895 1.166 3.397 1.00 0.00 C ATOM 0 H VAL A 131 -6.531 -0.683 4.111 1.00 0.00 H new ATOM 0 HA VAL A 131 -4.090 -0.518 5.439 1.00 0.00 H new ATOM 0 HB VAL A 131 -6.189 1.652 5.019 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -4.280 3.201 5.087 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -4.467 2.314 6.619 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -3.195 1.843 5.467 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -4.953 2.159 2.950 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -3.897 0.756 3.243 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -5.632 0.514 2.928 1.00 0.00 H new ATOM 459 N GLU A 132 -6.710 0.287 7.310 1.00 0.00 N ATOM 460 CA GLU A 132 -7.166 0.435 8.687 1.00 0.00 C ATOM 461 C GLU A 132 -7.102 -0.897 9.427 1.00 0.00 C ATOM 462 O GLU A 132 -7.096 -0.935 10.658 1.00 0.00 O ATOM 463 CB GLU A 132 -8.596 0.981 8.719 1.00 0.00 C ATOM 464 CG GLU A 132 -8.731 2.364 8.103 1.00 0.00 C ATOM 465 CD GLU A 132 -10.007 3.067 8.527 1.00 0.00 C ATOM 466 OE1 GLU A 132 -11.011 2.371 8.781 1.00 0.00 O ATOM 467 OE2 GLU A 132 -10.000 4.313 8.602 1.00 0.00 O ATOM 0 H GLU A 132 -7.437 0.424 6.608 1.00 0.00 H new ATOM 0 HA GLU A 132 -6.504 1.141 9.188 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -9.252 0.290 8.189 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -8.940 1.017 9.753 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -7.873 2.971 8.390 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -8.711 2.278 7.017 1.00 0.00 H new ATOM 474 N GLN A 133 -7.058 -1.988 8.669 1.00 0.00 N ATOM 475 CA GLN A 133 -6.997 -3.323 9.253 1.00 0.00 C ATOM 476 C GLN A 133 -5.552 -3.785 9.403 1.00 0.00 C ATOM 477 O GLN A 133 -5.279 -4.980 9.505 1.00 0.00 O ATOM 478 CB GLN A 133 -7.776 -4.317 8.391 1.00 0.00 C ATOM 479 CG GLN A 133 -9.255 -4.391 8.733 1.00 0.00 C ATOM 480 CD GLN A 133 -9.917 -5.642 8.191 1.00 0.00 C ATOM 481 OE1 GLN A 133 -10.242 -6.561 8.944 1.00 0.00 O ATOM 482 NE2 GLN A 133 -10.120 -5.686 6.880 1.00 0.00 N ATOM 0 H GLN A 133 -7.063 -1.974 7.649 1.00 0.00 H new ATOM 0 HA GLN A 133 -7.451 -3.280 10.243 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -7.668 -4.039 7.343 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -7.335 -5.307 8.505 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -9.376 -4.361 9.816 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -9.761 -3.513 8.331 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -9.835 -4.902 6.293 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -10.561 -6.504 6.459 1.00 0.00 H new ATOM 491 N GLY A 134 -4.627 -2.829 9.417 1.00 0.00 N ATOM 492 CA GLY A 134 -3.221 -3.158 9.554 1.00 0.00 C ATOM 493 C GLY A 134 -2.833 -4.391 8.759 1.00 0.00 C ATOM 494 O GLY A 134 -2.090 -5.243 9.245 1.00 0.00 O ATOM 0 H GLY A 134 -4.827 -1.832 9.336 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -2.619 -2.312 9.223 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -2.990 -3.321 10.607 1.00 0.00 H new ATOM 498 N HIS A 135 -3.339 -4.485 7.534 1.00 0.00 N ATOM 499 CA HIS A 135 -3.043 -5.622 6.670 1.00 0.00 C ATOM 500 C HIS A 135 -1.877 -5.306 5.738 1.00 0.00 C ATOM 501 O HIS A 135 -1.203 -6.210 5.242 1.00 0.00 O ATOM 502 CB HIS A 135 -4.277 -6.004 5.851 1.00 0.00 C ATOM 503 CG HIS A 135 -5.204 -6.939 6.566 1.00 0.00 C ATOM 504 ND1 HIS A 135 -6.523 -6.833 6.849 1.00 0.00 N flip ATOM 505 CD2 HIS A 135 -4.798 -8.150 7.083 1.00 0.00 C flip ATOM 506 CE1 HIS A 135 -6.887 -7.971 7.524 1.00 0.00 C flip ATOM 507 NE2 HIS A 135 -5.829 -8.750 7.653 1.00 0.00 N flip ATOM 0 H HIS A 135 -3.956 -3.788 7.117 1.00 0.00 H new ATOM 0 HA HIS A 135 -2.762 -6.464 7.303 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -4.822 -5.098 5.585 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -3.955 -6.467 4.918 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -3.795 -8.547 7.031 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -7.878 -8.193 7.890 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -5.810 -9.660 8.114 1.00 0.00 H new ATOM 515 N VAL A 136 -1.644 -4.019 5.503 1.00 0.00 N ATOM 516 CA VAL A 136 -0.560 -3.584 4.631 1.00 0.00 C ATOM 517 C VAL A 136 0.413 -2.676 5.375 1.00 0.00 C ATOM 518 O VAL A 136 0.009 -1.866 6.208 1.00 0.00 O ATOM 519 CB VAL A 136 -1.099 -2.838 3.396 1.00 0.00 C ATOM 520 CG1 VAL A 136 0.018 -2.590 2.393 1.00 0.00 C ATOM 521 CG2 VAL A 136 -2.237 -3.619 2.756 1.00 0.00 C ATOM 0 H VAL A 136 -2.192 -3.259 5.905 1.00 0.00 H new ATOM 0 HA VAL A 136 -0.036 -4.482 4.304 1.00 0.00 H new ATOM 0 HB VAL A 136 -1.488 -1.872 3.718 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -0.381 -2.062 1.527 1.00 0.00 H new ATOM 0 HG12 VAL A 136 0.797 -1.987 2.858 1.00 0.00 H new ATOM 0 HG13 VAL A 136 0.439 -3.544 2.074 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -2.606 -3.077 1.885 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -1.876 -4.600 2.447 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -3.046 -3.740 3.477 1.00 0.00 H new ATOM 531 N ARG A 137 1.698 -2.818 5.068 1.00 0.00 N ATOM 532 CA ARG A 137 2.730 -2.012 5.707 1.00 0.00 C ATOM 533 C ARG A 137 3.686 -1.429 4.670 1.00 0.00 C ATOM 534 O ARG A 137 3.823 -1.960 3.568 1.00 0.00 O ATOM 535 CB ARG A 137 3.510 -2.853 6.719 1.00 0.00 C ATOM 536 CG ARG A 137 4.461 -3.851 6.078 1.00 0.00 C ATOM 537 CD ARG A 137 5.657 -4.135 6.972 1.00 0.00 C ATOM 538 NE ARG A 137 6.240 -5.447 6.706 1.00 0.00 N ATOM 539 CZ ARG A 137 7.309 -5.918 7.339 1.00 0.00 C ATOM 540 NH1 ARG A 137 7.907 -5.189 8.270 1.00 0.00 N ATOM 541 NH2 ARG A 137 7.780 -7.123 7.041 1.00 0.00 N ATOM 0 H ARG A 137 2.049 -3.484 4.380 1.00 0.00 H new ATOM 0 HA ARG A 137 2.241 -1.189 6.228 1.00 0.00 H new ATOM 0 HB2 ARG A 137 4.079 -2.188 7.369 1.00 0.00 H new ATOM 0 HB3 ARG A 137 2.804 -3.391 7.352 1.00 0.00 H new ATOM 0 HG2 ARG A 137 3.930 -4.781 5.873 1.00 0.00 H new ATOM 0 HG3 ARG A 137 4.806 -3.463 5.120 1.00 0.00 H new ATOM 0 HD2 ARG A 137 6.413 -3.365 6.821 1.00 0.00 H new ATOM 0 HD3 ARG A 137 5.350 -4.080 8.016 1.00 0.00 H new ATOM 0 HE ARG A 137 5.803 -6.034 5.996 1.00 0.00 H new ATOM 0 HH11 ARG A 137 7.547 -4.263 8.502 1.00 0.00 H new ATOM 0 HH12 ARG A 137 8.727 -5.553 8.754 1.00 0.00 H new ATOM 0 HH21 ARG A 137 7.321 -7.687 6.326 1.00 0.00 H new ATOM 0 HH22 ARG A 137 8.601 -7.484 7.527 1.00 0.00 H new ATOM 555 N VAL A 138 4.345 -0.332 5.030 1.00 0.00 N ATOM 556 CA VAL A 138 5.288 0.323 4.132 1.00 0.00 C ATOM 557 C VAL A 138 6.685 0.368 4.740 1.00 0.00 C ATOM 558 O VAL A 138 6.920 1.057 5.731 1.00 0.00 O ATOM 559 CB VAL A 138 4.839 1.758 3.796 1.00 0.00 C ATOM 560 CG1 VAL A 138 5.722 2.354 2.710 1.00 0.00 C ATOM 561 CG2 VAL A 138 3.377 1.774 3.375 1.00 0.00 C ATOM 0 H VAL A 138 4.243 0.122 5.938 1.00 0.00 H new ATOM 0 HA VAL A 138 5.313 -0.266 3.215 1.00 0.00 H new ATOM 0 HB VAL A 138 4.942 2.371 4.691 1.00 0.00 H new ATOM 0 HG11 VAL A 138 5.389 3.368 2.486 1.00 0.00 H new ATOM 0 HG12 VAL A 138 6.756 2.379 3.055 1.00 0.00 H new ATOM 0 HG13 VAL A 138 5.654 1.743 1.810 1.00 0.00 H new ATOM 0 HG21 VAL A 138 3.077 2.795 3.141 1.00 0.00 H new ATOM 0 HG22 VAL A 138 3.245 1.146 2.494 1.00 0.00 H new ATOM 0 HG23 VAL A 138 2.760 1.391 4.188 1.00 0.00 H new ATOM 571 N GLY A 139 7.611 -0.371 4.137 1.00 0.00 N ATOM 572 CA GLY A 139 8.974 -0.401 4.632 1.00 0.00 C ATOM 573 C GLY A 139 9.051 -0.791 6.095 1.00 0.00 C ATOM 574 O GLY A 139 8.226 -1.552 6.601 1.00 0.00 O ATOM 0 H GLY A 139 7.441 -0.949 3.314 1.00 0.00 H new ATOM 0 HA2 GLY A 139 9.557 -1.107 4.040 1.00 0.00 H new ATOM 0 HA3 GLY A 139 9.428 0.581 4.496 1.00 0.00 H new ATOM 578 N PRO A 140 10.064 -0.264 6.799 1.00 0.00 N ATOM 579 CA PRO A 140 10.270 -0.547 8.222 1.00 0.00 C ATOM 580 C PRO A 140 9.198 0.087 9.101 1.00 0.00 C ATOM 581 O PRO A 140 9.257 0.002 10.329 1.00 0.00 O ATOM 582 CB PRO A 140 11.638 0.075 8.514 1.00 0.00 C ATOM 583 CG PRO A 140 11.792 1.147 7.492 1.00 0.00 C ATOM 584 CD PRO A 140 11.084 0.651 6.261 1.00 0.00 C ATOM 0 HA PRO A 140 10.218 -1.614 8.436 1.00 0.00 H new ATOM 0 HB2 PRO A 140 11.680 0.482 9.524 1.00 0.00 H new ATOM 0 HB3 PRO A 140 12.434 -0.665 8.435 1.00 0.00 H new ATOM 0 HG2 PRO A 140 11.358 2.084 7.841 1.00 0.00 H new ATOM 0 HG3 PRO A 140 12.845 1.341 7.285 1.00 0.00 H new ATOM 0 HD2 PRO A 140 10.633 1.469 5.699 1.00 0.00 H new ATOM 0 HD3 PRO A 140 11.767 0.138 5.584 1.00 0.00 H new ATOM 592 N ASP A 141 8.220 0.724 8.467 1.00 0.00 N ATOM 593 CA ASP A 141 7.133 1.373 9.192 1.00 0.00 C ATOM 594 C ASP A 141 5.785 0.783 8.791 1.00 0.00 C ATOM 595 O ASP A 141 5.477 0.659 7.605 1.00 0.00 O ATOM 596 CB ASP A 141 7.144 2.879 8.929 1.00 0.00 C ATOM 597 CG ASP A 141 8.396 3.550 9.458 1.00 0.00 C ATOM 598 OD1 ASP A 141 9.491 3.266 8.927 1.00 0.00 O ATOM 599 OD2 ASP A 141 8.282 4.360 10.402 1.00 0.00 O ATOM 0 H ASP A 141 8.157 0.805 7.452 1.00 0.00 H new ATOM 0 HA ASP A 141 7.283 1.198 10.257 1.00 0.00 H new ATOM 0 HB2 ASP A 141 7.065 3.058 7.857 1.00 0.00 H new ATOM 0 HB3 ASP A 141 6.268 3.332 9.394 1.00 0.00 H new ATOM 604 N VAL A 142 4.984 0.419 9.788 1.00 0.00 N ATOM 605 CA VAL A 142 3.668 -0.158 9.539 1.00 0.00 C ATOM 606 C VAL A 142 2.595 0.925 9.484 1.00 0.00 C ATOM 607 O VAL A 142 2.265 1.540 10.498 1.00 0.00 O ATOM 608 CB VAL A 142 3.291 -1.183 10.625 1.00 0.00 C ATOM 609 CG1 VAL A 142 1.830 -1.585 10.496 1.00 0.00 C ATOM 610 CG2 VAL A 142 4.197 -2.403 10.543 1.00 0.00 C ATOM 0 H VAL A 142 5.223 0.513 10.775 1.00 0.00 H new ATOM 0 HA VAL A 142 3.721 -0.663 8.575 1.00 0.00 H new ATOM 0 HB VAL A 142 3.431 -0.719 11.602 1.00 0.00 H new ATOM 0 HG11 VAL A 142 1.582 -2.310 11.272 1.00 0.00 H new ATOM 0 HG12 VAL A 142 1.199 -0.703 10.608 1.00 0.00 H new ATOM 0 HG13 VAL A 142 1.660 -2.030 9.516 1.00 0.00 H new ATOM 0 HG21 VAL A 142 3.917 -3.117 11.317 1.00 0.00 H new ATOM 0 HG22 VAL A 142 4.091 -2.870 9.564 1.00 0.00 H new ATOM 0 HG23 VAL A 142 5.233 -2.097 10.689 1.00 0.00 H new ATOM 620 N VAL A 143 2.053 1.152 8.292 1.00 0.00 N ATOM 621 CA VAL A 143 1.016 2.159 8.103 1.00 0.00 C ATOM 622 C VAL A 143 -0.375 1.542 8.212 1.00 0.00 C ATOM 623 O VAL A 143 -0.654 0.502 7.615 1.00 0.00 O ATOM 624 CB VAL A 143 1.151 2.855 6.736 1.00 0.00 C ATOM 625 CG1 VAL A 143 0.078 3.921 6.571 1.00 0.00 C ATOM 626 CG2 VAL A 143 2.540 3.455 6.580 1.00 0.00 C ATOM 0 H VAL A 143 2.315 0.652 7.442 1.00 0.00 H new ATOM 0 HA VAL A 143 1.146 2.899 8.893 1.00 0.00 H new ATOM 0 HB VAL A 143 1.012 2.110 5.952 1.00 0.00 H new ATOM 0 HG11 VAL A 143 0.189 4.402 5.599 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -0.907 3.459 6.636 1.00 0.00 H new ATOM 0 HG13 VAL A 143 0.182 4.667 7.359 1.00 0.00 H new ATOM 0 HG21 VAL A 143 2.619 3.943 5.609 1.00 0.00 H new ATOM 0 HG22 VAL A 143 2.711 4.188 7.369 1.00 0.00 H new ATOM 0 HG23 VAL A 143 3.288 2.665 6.651 1.00 0.00 H new ATOM 636 N THR A 144 -1.245 2.191 8.979 1.00 0.00 N ATOM 637 CA THR A 144 -2.607 1.707 9.167 1.00 0.00 C ATOM 638 C THR A 144 -3.628 2.758 8.746 1.00 0.00 C ATOM 639 O THR A 144 -4.831 2.499 8.732 1.00 0.00 O ATOM 640 CB THR A 144 -2.866 1.316 10.634 1.00 0.00 C ATOM 641 OG1 THR A 144 -2.767 2.470 11.475 1.00 0.00 O ATOM 642 CG2 THR A 144 -1.875 0.258 11.095 1.00 0.00 C ATOM 0 H THR A 144 -1.031 3.053 9.480 1.00 0.00 H new ATOM 0 HA THR A 144 -2.718 0.824 8.537 1.00 0.00 H new ATOM 0 HB THR A 144 -3.872 0.903 10.704 1.00 0.00 H new ATOM 0 HG1 THR A 144 -2.935 2.212 12.405 1.00 0.00 H new ATOM 0 HG21 THR A 144 -2.078 -0.002 12.134 1.00 0.00 H new ATOM 0 HG22 THR A 144 -1.976 -0.631 10.472 1.00 0.00 H new ATOM 0 HG23 THR A 144 -0.861 0.648 11.010 1.00 0.00 H new ATOM 650 N ASP A 145 -3.140 3.945 8.403 1.00 0.00 N ATOM 651 CA ASP A 145 -4.010 5.036 7.978 1.00 0.00 C ATOM 652 C ASP A 145 -4.077 5.118 6.456 1.00 0.00 C ATOM 653 O ASP A 145 -3.059 5.125 5.765 1.00 0.00 O ATOM 654 CB ASP A 145 -3.514 6.365 8.551 1.00 0.00 C ATOM 655 CG ASP A 145 -4.543 7.470 8.425 1.00 0.00 C ATOM 656 OD1 ASP A 145 -4.554 8.156 7.382 1.00 0.00 O ATOM 657 OD2 ASP A 145 -5.340 7.649 9.370 1.00 0.00 O ATOM 0 H ASP A 145 -2.147 4.176 8.411 1.00 0.00 H new ATOM 0 HA ASP A 145 -5.012 4.837 8.357 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -3.256 6.231 9.602 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -2.601 6.662 8.034 1.00 0.00 H new ATOM 662 N PRO A 146 -5.305 5.180 5.921 1.00 0.00 N ATOM 663 CA PRO A 146 -5.535 5.261 4.475 1.00 0.00 C ATOM 664 C PRO A 146 -5.107 6.605 3.895 1.00 0.00 C ATOM 665 O PRO A 146 -4.938 6.743 2.684 1.00 0.00 O ATOM 666 CB PRO A 146 -7.049 5.080 4.347 1.00 0.00 C ATOM 667 CG PRO A 146 -7.598 5.536 5.654 1.00 0.00 C ATOM 668 CD PRO A 146 -6.564 5.176 6.684 1.00 0.00 C ATOM 0 HA PRO A 146 -4.956 4.518 3.927 1.00 0.00 H new ATOM 0 HB2 PRO A 146 -7.450 5.669 3.522 1.00 0.00 H new ATOM 0 HB3 PRO A 146 -7.308 4.040 4.150 1.00 0.00 H new ATOM 0 HG2 PRO A 146 -7.784 6.610 5.646 1.00 0.00 H new ATOM 0 HG3 PRO A 146 -8.549 5.049 5.869 1.00 0.00 H new ATOM 0 HD2 PRO A 146 -6.541 5.898 7.500 1.00 0.00 H new ATOM 0 HD3 PRO A 146 -6.762 4.200 7.128 1.00 0.00 H new ATOM 676 N ALA A 147 -4.933 7.593 4.767 1.00 0.00 N ATOM 677 CA ALA A 147 -4.523 8.925 4.341 1.00 0.00 C ATOM 678 C ALA A 147 -3.004 9.047 4.309 1.00 0.00 C ATOM 679 O ALA A 147 -2.462 10.136 4.116 1.00 0.00 O ATOM 680 CB ALA A 147 -5.121 9.980 5.260 1.00 0.00 C ATOM 0 H ALA A 147 -5.070 7.496 5.773 1.00 0.00 H new ATOM 0 HA ALA A 147 -4.895 9.087 3.330 1.00 0.00 H new ATOM 0 HB1 ALA A 147 -4.807 10.970 4.930 1.00 0.00 H new ATOM 0 HB2 ALA A 147 -6.209 9.915 5.229 1.00 0.00 H new ATOM 0 HB3 ALA A 147 -4.777 9.811 6.280 1.00 0.00 H new ATOM 686 N PHE A 148 -2.320 7.924 4.502 1.00 0.00 N ATOM 687 CA PHE A 148 -0.862 7.906 4.497 1.00 0.00 C ATOM 688 C PHE A 148 -0.320 8.161 3.093 1.00 0.00 C ATOM 689 O PHE A 148 -0.677 7.468 2.141 1.00 0.00 O ATOM 690 CB PHE A 148 -0.346 6.563 5.018 1.00 0.00 C ATOM 691 CG PHE A 148 1.149 6.429 4.952 1.00 0.00 C ATOM 692 CD1 PHE A 148 1.958 7.098 5.857 1.00 0.00 C ATOM 693 CD2 PHE A 148 1.745 5.634 3.986 1.00 0.00 C ATOM 694 CE1 PHE A 148 3.334 6.978 5.797 1.00 0.00 C ATOM 695 CE2 PHE A 148 3.120 5.509 3.923 1.00 0.00 C ATOM 696 CZ PHE A 148 3.915 6.181 4.831 1.00 0.00 C ATOM 0 H PHE A 148 -2.752 7.014 4.664 1.00 0.00 H new ATOM 0 HA PHE A 148 -0.511 8.702 5.154 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -0.669 6.435 6.051 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -0.801 5.759 4.440 1.00 0.00 H new ATOM 0 HD1 PHE A 148 1.509 7.720 6.617 1.00 0.00 H new ATOM 0 HD2 PHE A 148 1.128 5.106 3.274 1.00 0.00 H new ATOM 0 HE1 PHE A 148 3.954 7.507 6.505 1.00 0.00 H new ATOM 0 HE2 PHE A 148 3.572 4.887 3.165 1.00 0.00 H new ATOM 0 HZ PHE A 148 4.990 6.083 4.785 1.00 0.00 H new ATOM 706 N LEU A 149 0.545 9.163 2.974 1.00 0.00 N ATOM 707 CA LEU A 149 1.137 9.513 1.688 1.00 0.00 C ATOM 708 C LEU A 149 2.354 8.640 1.392 1.00 0.00 C ATOM 709 O LEU A 149 3.161 8.363 2.279 1.00 0.00 O ATOM 710 CB LEU A 149 1.539 10.988 1.673 1.00 0.00 C ATOM 711 CG LEU A 149 0.402 11.996 1.847 1.00 0.00 C ATOM 712 CD1 LEU A 149 0.938 13.418 1.804 1.00 0.00 C ATOM 713 CD2 LEU A 149 -0.659 11.791 0.775 1.00 0.00 C ATOM 0 H LEU A 149 0.851 9.747 3.752 1.00 0.00 H new ATOM 0 HA LEU A 149 0.390 9.338 0.914 1.00 0.00 H new ATOM 0 HB2 LEU A 149 2.268 11.153 2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 149 2.042 11.197 0.729 1.00 0.00 H new ATOM 0 HG LEU A 149 -0.058 11.833 2.822 1.00 0.00 H new ATOM 0 HD11 LEU A 149 0.115 14.121 1.929 1.00 0.00 H new ATOM 0 HD12 LEU A 149 1.661 13.559 2.607 1.00 0.00 H new ATOM 0 HD13 LEU A 149 1.423 13.595 0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -1.461 12.516 0.913 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -0.212 11.927 -0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -1.065 10.782 0.853 1.00 0.00 H new ATOM 725 N VAL A 150 2.478 8.210 0.141 1.00 0.00 N ATOM 726 CA VAL A 150 3.596 7.372 -0.272 1.00 0.00 C ATOM 727 C VAL A 150 4.390 8.029 -1.396 1.00 0.00 C ATOM 728 O VAL A 150 3.821 8.494 -2.384 1.00 0.00 O ATOM 729 CB VAL A 150 3.116 5.986 -0.740 1.00 0.00 C ATOM 730 CG1 VAL A 150 4.270 5.191 -1.332 1.00 0.00 C ATOM 731 CG2 VAL A 150 2.472 5.229 0.412 1.00 0.00 C ATOM 0 H VAL A 150 1.817 8.429 -0.605 1.00 0.00 H new ATOM 0 HA VAL A 150 4.239 7.250 0.600 1.00 0.00 H new ATOM 0 HB VAL A 150 2.366 6.125 -1.519 1.00 0.00 H new ATOM 0 HG11 VAL A 150 3.910 4.215 -1.657 1.00 0.00 H new ATOM 0 HG12 VAL A 150 4.682 5.729 -2.186 1.00 0.00 H new ATOM 0 HG13 VAL A 150 5.046 5.059 -0.578 1.00 0.00 H new ATOM 0 HG21 VAL A 150 2.138 4.252 0.064 1.00 0.00 H new ATOM 0 HG22 VAL A 150 3.199 5.100 1.214 1.00 0.00 H new ATOM 0 HG23 VAL A 150 1.617 5.793 0.785 1.00 0.00 H new ATOM 741 N THR A 151 5.709 8.063 -1.240 1.00 0.00 N ATOM 742 CA THR A 151 6.582 8.664 -2.241 1.00 0.00 C ATOM 743 C THR A 151 7.172 7.603 -3.163 1.00 0.00 C ATOM 744 O THR A 151 7.012 6.405 -2.930 1.00 0.00 O ATOM 745 CB THR A 151 7.731 9.452 -1.584 1.00 0.00 C ATOM 746 OG1 THR A 151 8.572 8.565 -0.840 1.00 0.00 O ATOM 747 CG2 THR A 151 7.187 10.535 -0.664 1.00 0.00 C ATOM 0 H THR A 151 6.197 7.681 -0.430 1.00 0.00 H new ATOM 0 HA THR A 151 5.968 9.350 -2.825 1.00 0.00 H new ATOM 0 HB THR A 151 8.314 9.927 -2.373 1.00 0.00 H new ATOM 0 HG1 THR A 151 9.462 8.538 -1.249 1.00 0.00 H new ATOM 0 HG21 THR A 151 8.016 11.078 -0.211 1.00 0.00 H new ATOM 0 HG22 THR A 151 6.572 11.226 -1.240 1.00 0.00 H new ATOM 0 HG23 THR A 151 6.583 10.077 0.119 1.00 0.00 H new ATOM 755 N ARG A 152 7.855 8.051 -4.212 1.00 0.00 N ATOM 756 CA ARG A 152 8.469 7.139 -5.170 1.00 0.00 C ATOM 757 C ARG A 152 9.375 6.136 -4.463 1.00 0.00 C ATOM 758 O ARG A 152 9.719 5.094 -5.021 1.00 0.00 O ATOM 759 CB ARG A 152 9.272 7.922 -6.210 1.00 0.00 C ATOM 760 CG ARG A 152 9.535 7.145 -7.488 1.00 0.00 C ATOM 761 CD ARG A 152 8.386 7.287 -8.474 1.00 0.00 C ATOM 762 NE ARG A 152 8.342 8.616 -9.076 1.00 0.00 N ATOM 763 CZ ARG A 152 7.359 9.033 -9.867 1.00 0.00 C ATOM 764 NH1 ARG A 152 6.344 8.228 -10.148 1.00 0.00 N ATOM 765 NH2 ARG A 152 7.390 10.258 -10.377 1.00 0.00 N ATOM 0 H ARG A 152 7.997 9.039 -4.420 1.00 0.00 H new ATOM 0 HA ARG A 152 7.672 6.591 -5.673 1.00 0.00 H new ATOM 0 HB2 ARG A 152 8.735 8.838 -6.456 1.00 0.00 H new ATOM 0 HB3 ARG A 152 10.225 8.218 -5.772 1.00 0.00 H new ATOM 0 HG2 ARG A 152 10.457 7.501 -7.948 1.00 0.00 H new ATOM 0 HG3 ARG A 152 9.684 6.092 -7.250 1.00 0.00 H new ATOM 0 HD2 ARG A 152 8.487 6.537 -9.258 1.00 0.00 H new ATOM 0 HD3 ARG A 152 7.444 7.089 -7.963 1.00 0.00 H new ATOM 0 HE ARG A 152 9.108 9.260 -8.879 1.00 0.00 H new ATOM 0 HH11 ARG A 152 6.316 7.286 -9.757 1.00 0.00 H new ATOM 0 HH12 ARG A 152 5.591 8.550 -10.755 1.00 0.00 H new ATOM 0 HH21 ARG A 152 8.169 10.880 -10.162 1.00 0.00 H new ATOM 0 HH22 ARG A 152 6.635 10.577 -10.984 1.00 0.00 H new ATOM 779 N SER A 153 9.756 6.457 -3.231 1.00 0.00 N ATOM 780 CA SER A 153 10.626 5.586 -2.448 1.00 0.00 C ATOM 781 C SER A 153 9.808 4.568 -1.659 1.00 0.00 C ATOM 782 O SER A 153 10.191 3.405 -1.541 1.00 0.00 O ATOM 783 CB SER A 153 11.488 6.415 -1.494 1.00 0.00 C ATOM 784 OG SER A 153 10.684 7.218 -0.647 1.00 0.00 O ATOM 0 H SER A 153 9.476 7.314 -2.753 1.00 0.00 H new ATOM 0 HA SER A 153 11.276 5.047 -3.138 1.00 0.00 H new ATOM 0 HB2 SER A 153 12.108 5.752 -0.891 1.00 0.00 H new ATOM 0 HB3 SER A 153 12.164 7.049 -2.068 1.00 0.00 H new ATOM 0 HG SER A 153 10.262 6.654 0.034 1.00 0.00 H new ATOM 790 N MET A 154 8.679 5.017 -1.120 1.00 0.00 N ATOM 791 CA MET A 154 7.805 4.146 -0.342 1.00 0.00 C ATOM 792 C MET A 154 7.019 3.210 -1.255 1.00 0.00 C ATOM 793 O MET A 154 6.574 2.144 -0.831 1.00 0.00 O ATOM 794 CB MET A 154 6.842 4.979 0.506 1.00 0.00 C ATOM 795 CG MET A 154 7.388 5.326 1.881 1.00 0.00 C ATOM 796 SD MET A 154 9.074 5.963 1.819 1.00 0.00 S ATOM 797 CE MET A 154 9.697 5.427 3.410 1.00 0.00 C ATOM 0 H MET A 154 8.348 5.978 -1.207 1.00 0.00 H new ATOM 0 HA MET A 154 8.428 3.543 0.318 1.00 0.00 H new ATOM 0 HB2 MET A 154 6.607 5.901 -0.026 1.00 0.00 H new ATOM 0 HB3 MET A 154 5.907 4.431 0.623 1.00 0.00 H new ATOM 0 HG2 MET A 154 6.740 6.068 2.348 1.00 0.00 H new ATOM 0 HG3 MET A 154 7.362 4.438 2.512 1.00 0.00 H new ATOM 0 HE1 MET A 154 10.733 5.747 3.522 1.00 0.00 H new ATOM 0 HE2 MET A 154 9.094 5.867 4.204 1.00 0.00 H new ATOM 0 HE3 MET A 154 9.644 4.340 3.474 1.00 0.00 H new ATOM 807 N GLU A 155 6.851 3.617 -2.509 1.00 0.00 N ATOM 808 CA GLU A 155 6.118 2.814 -3.481 1.00 0.00 C ATOM 809 C GLU A 155 6.725 1.419 -3.604 1.00 0.00 C ATOM 810 O GLU A 155 6.033 0.414 -3.445 1.00 0.00 O ATOM 811 CB GLU A 155 6.113 3.503 -4.847 1.00 0.00 C ATOM 812 CG GLU A 155 5.218 4.729 -4.907 1.00 0.00 C ATOM 813 CD GLU A 155 3.805 4.398 -5.350 1.00 0.00 C ATOM 814 OE1 GLU A 155 3.609 3.321 -5.949 1.00 0.00 O ATOM 815 OE2 GLU A 155 2.897 5.217 -5.097 1.00 0.00 O ATOM 0 H GLU A 155 7.212 4.498 -2.876 1.00 0.00 H new ATOM 0 HA GLU A 155 5.091 2.714 -3.130 1.00 0.00 H new ATOM 0 HB2 GLU A 155 7.132 3.795 -5.101 1.00 0.00 H new ATOM 0 HB3 GLU A 155 5.788 2.789 -5.604 1.00 0.00 H new ATOM 0 HG2 GLU A 155 5.186 5.200 -3.924 1.00 0.00 H new ATOM 0 HG3 GLU A 155 5.650 5.456 -5.595 1.00 0.00 H new ATOM 822 N ASP A 156 8.021 1.368 -3.887 1.00 0.00 N ATOM 823 CA ASP A 156 8.723 0.099 -4.031 1.00 0.00 C ATOM 824 C ASP A 156 8.967 -0.546 -2.670 1.00 0.00 C ATOM 825 O ASP A 156 9.555 -1.623 -2.578 1.00 0.00 O ATOM 826 CB ASP A 156 10.054 0.306 -4.756 1.00 0.00 C ATOM 827 CG ASP A 156 10.976 -0.891 -4.630 1.00 0.00 C ATOM 828 OD1 ASP A 156 10.590 -1.989 -5.087 1.00 0.00 O ATOM 829 OD2 ASP A 156 12.081 -0.732 -4.074 1.00 0.00 O ATOM 0 H ASP A 156 8.607 2.192 -4.021 1.00 0.00 H new ATOM 0 HA ASP A 156 8.096 -0.568 -4.622 1.00 0.00 H new ATOM 0 HB2 ASP A 156 9.863 0.504 -5.811 1.00 0.00 H new ATOM 0 HB3 ASP A 156 10.551 1.188 -4.351 1.00 0.00 H new ATOM 834 N PHE A 157 8.511 0.122 -1.615 1.00 0.00 N ATOM 835 CA PHE A 157 8.681 -0.384 -0.258 1.00 0.00 C ATOM 836 C PHE A 157 7.340 -0.800 0.339 1.00 0.00 C ATOM 837 O PHE A 157 7.174 -0.832 1.558 1.00 0.00 O ATOM 838 CB PHE A 157 9.338 0.677 0.626 1.00 0.00 C ATOM 839 CG PHE A 157 10.838 0.610 0.629 1.00 0.00 C ATOM 840 CD1 PHE A 157 11.565 0.985 -0.489 1.00 0.00 C ATOM 841 CD2 PHE A 157 11.523 0.171 1.751 1.00 0.00 C ATOM 842 CE1 PHE A 157 12.946 0.924 -0.489 1.00 0.00 C ATOM 843 CE2 PHE A 157 12.904 0.108 1.756 1.00 0.00 C ATOM 844 CZ PHE A 157 13.616 0.484 0.634 1.00 0.00 C ATOM 0 H PHE A 157 8.021 1.015 -1.674 1.00 0.00 H new ATOM 0 HA PHE A 157 9.327 -1.261 -0.302 1.00 0.00 H new ATOM 0 HB2 PHE A 157 9.027 1.665 0.286 1.00 0.00 H new ATOM 0 HB3 PHE A 157 8.975 0.563 1.647 1.00 0.00 H new ATOM 0 HD1 PHE A 157 11.046 1.329 -1.372 1.00 0.00 H new ATOM 0 HD2 PHE A 157 10.972 -0.125 2.631 1.00 0.00 H new ATOM 0 HE1 PHE A 157 13.500 1.221 -1.367 1.00 0.00 H new ATOM 0 HE2 PHE A 157 13.426 -0.235 2.637 1.00 0.00 H new ATOM 0 HZ PHE A 157 14.695 0.434 0.636 1.00 0.00 H new ATOM 854 N VAL A 158 6.385 -1.119 -0.530 1.00 0.00 N ATOM 855 CA VAL A 158 5.059 -1.534 -0.089 1.00 0.00 C ATOM 856 C VAL A 158 4.953 -3.053 -0.018 1.00 0.00 C ATOM 857 O VAL A 158 5.146 -3.748 -1.017 1.00 0.00 O ATOM 858 CB VAL A 158 3.962 -0.998 -1.029 1.00 0.00 C ATOM 859 CG1 VAL A 158 2.594 -1.504 -0.597 1.00 0.00 C ATOM 860 CG2 VAL A 158 3.990 0.522 -1.066 1.00 0.00 C ATOM 0 H VAL A 158 6.505 -1.098 -1.543 1.00 0.00 H new ATOM 0 HA VAL A 158 4.912 -1.116 0.907 1.00 0.00 H new ATOM 0 HB VAL A 158 4.158 -1.367 -2.036 1.00 0.00 H new ATOM 0 HG11 VAL A 158 1.832 -1.115 -1.273 1.00 0.00 H new ATOM 0 HG12 VAL A 158 2.583 -2.594 -0.627 1.00 0.00 H new ATOM 0 HG13 VAL A 158 2.385 -1.166 0.418 1.00 0.00 H new ATOM 0 HG21 VAL A 158 3.209 0.884 -1.735 1.00 0.00 H new ATOM 0 HG22 VAL A 158 3.820 0.914 -0.063 1.00 0.00 H new ATOM 0 HG23 VAL A 158 4.962 0.859 -1.427 1.00 0.00 H new ATOM 870 N THR A 159 4.646 -3.565 1.169 1.00 0.00 N ATOM 871 CA THR A 159 4.515 -5.002 1.372 1.00 0.00 C ATOM 872 C THR A 159 3.361 -5.322 2.316 1.00 0.00 C ATOM 873 O THR A 159 2.940 -4.476 3.105 1.00 0.00 O ATOM 874 CB THR A 159 5.812 -5.609 1.941 1.00 0.00 C ATOM 875 OG1 THR A 159 5.633 -7.009 2.181 1.00 0.00 O ATOM 876 CG2 THR A 159 6.214 -4.914 3.233 1.00 0.00 C ATOM 0 H THR A 159 4.483 -3.005 2.006 1.00 0.00 H new ATOM 0 HA THR A 159 4.314 -5.442 0.395 1.00 0.00 H new ATOM 0 HB THR A 159 6.606 -5.465 1.209 1.00 0.00 H new ATOM 0 HG1 THR A 159 6.462 -7.388 2.541 1.00 0.00 H new ATOM 0 HG21 THR A 159 7.132 -5.360 3.616 1.00 0.00 H new ATOM 0 HG22 THR A 159 6.378 -3.854 3.040 1.00 0.00 H new ATOM 0 HG23 THR A 159 5.420 -5.030 3.971 1.00 0.00 H new ATOM 884 N TRP A 160 2.856 -6.547 2.229 1.00 0.00 N ATOM 885 CA TRP A 160 1.750 -6.978 3.077 1.00 0.00 C ATOM 886 C TRP A 160 2.258 -7.462 4.431 1.00 0.00 C ATOM 887 O TRP A 160 3.195 -8.257 4.505 1.00 0.00 O ATOM 888 CB TRP A 160 0.956 -8.090 2.389 1.00 0.00 C ATOM 889 CG TRP A 160 0.152 -7.608 1.220 1.00 0.00 C ATOM 890 CD1 TRP A 160 0.536 -7.598 -0.091 1.00 0.00 C ATOM 891 CD2 TRP A 160 -1.174 -7.067 1.256 1.00 0.00 C ATOM 892 NE1 TRP A 160 -0.470 -7.082 -0.871 1.00 0.00 N ATOM 893 CE2 TRP A 160 -1.530 -6.750 -0.070 1.00 0.00 C ATOM 894 CE3 TRP A 160 -2.094 -6.823 2.278 1.00 0.00 C ATOM 895 CZ2 TRP A 160 -2.766 -6.200 -0.396 1.00 0.00 C ATOM 896 CZ3 TRP A 160 -3.320 -6.276 1.953 1.00 0.00 C ATOM 897 CH2 TRP A 160 -3.649 -5.970 0.625 1.00 0.00 C ATOM 0 H TRP A 160 3.194 -7.259 1.581 1.00 0.00 H new ATOM 0 HA TRP A 160 1.096 -6.122 3.241 1.00 0.00 H new ATOM 0 HB2 TRP A 160 1.645 -8.864 2.052 1.00 0.00 H new ATOM 0 HB3 TRP A 160 0.287 -8.552 3.115 1.00 0.00 H new ATOM 0 HD1 TRP A 160 1.490 -7.945 -0.460 1.00 0.00 H new ATOM 0 HE1 TRP A 160 -0.433 -6.965 -1.884 1.00 0.00 H new ATOM 0 HE3 TRP A 160 -1.851 -7.058 3.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 160 -3.020 -5.963 -1.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 160 -4.038 -6.081 2.736 1.00 0.00 H new ATOM 0 HH2 TRP A 160 -4.617 -5.545 0.403 1.00 0.00 H new ATOM 908 N VAL A 161 1.635 -6.978 5.501 1.00 0.00 N ATOM 909 CA VAL A 161 2.024 -7.363 6.851 1.00 0.00 C ATOM 910 C VAL A 161 2.423 -8.833 6.911 1.00 0.00 C ATOM 911 O VAL A 161 3.468 -9.181 7.460 1.00 0.00 O ATOM 912 CB VAL A 161 0.884 -7.111 7.857 1.00 0.00 C ATOM 913 CG1 VAL A 161 1.206 -7.749 9.199 1.00 0.00 C ATOM 914 CG2 VAL A 161 0.631 -5.620 8.012 1.00 0.00 C ATOM 0 H VAL A 161 0.858 -6.318 5.458 1.00 0.00 H new ATOM 0 HA VAL A 161 2.881 -6.746 7.121 1.00 0.00 H new ATOM 0 HB VAL A 161 -0.026 -7.572 7.472 1.00 0.00 H new ATOM 0 HG11 VAL A 161 0.390 -7.561 9.897 1.00 0.00 H new ATOM 0 HG12 VAL A 161 1.332 -8.824 9.070 1.00 0.00 H new ATOM 0 HG13 VAL A 161 2.127 -7.320 9.594 1.00 0.00 H new ATOM 0 HG21 VAL A 161 -0.177 -5.460 8.726 1.00 0.00 H new ATOM 0 HG22 VAL A 161 1.537 -5.133 8.374 1.00 0.00 H new ATOM 0 HG23 VAL A 161 0.352 -5.196 7.047 1.00 0.00 H new