USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=9 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 Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 174:sc= -0.199 (180deg=-0.229) USER MOD Single : A 120 MET CE :methyl -175:sc= -2.87 (180deg=-3.02) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 123 HIS : no HD1:sc= -3.62 K(o=-3.6,f=-5.1!) USER MOD Single : A 125 GLN : amide:sc=-0.000467 X(o=-0.00047,f=-0.033) USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 135 HIS :FLIP no HD1:sc= -0.644 F(o=-1.9,f=-0.64) USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD Single : A 151 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 154 MET CE :methyl -160:sc= -1.36 (180deg=-1.6) USER MOD Single : A 159 THR OG1 : rot 180:sc= -0.0842 USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 109 1.310 10.162 -2.161 1.00 0.00 N ATOM 67 CA ARG A 109 -0.028 9.697 -2.510 1.00 0.00 C ATOM 68 C ARG A 109 -0.569 8.752 -1.441 1.00 0.00 C ATOM 69 O ARG A 109 0.193 8.068 -0.758 1.00 0.00 O ATOM 70 CB ARG A 109 -0.007 8.991 -3.866 1.00 0.00 C ATOM 71 CG ARG A 109 0.477 9.875 -5.005 1.00 0.00 C ATOM 72 CD ARG A 109 1.010 9.047 -6.164 1.00 0.00 C ATOM 73 NE ARG A 109 1.357 9.876 -7.315 1.00 0.00 N ATOM 74 CZ ARG A 109 0.457 10.424 -8.124 1.00 0.00 C ATOM 75 NH1 ARG A 109 -0.837 10.232 -7.909 1.00 0.00 N ATOM 76 NH2 ARG A 109 0.851 11.166 -9.150 1.00 0.00 N ATOM 0 HA ARG A 109 -0.684 10.565 -2.570 1.00 0.00 H new ATOM 0 HB2 ARG A 109 0.636 8.114 -3.800 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -1.011 8.634 -4.096 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -0.342 10.504 -5.352 1.00 0.00 H new ATOM 0 HG3 ARG A 109 1.259 10.542 -4.643 1.00 0.00 H new ATOM 0 HD2 ARG A 109 1.890 8.492 -5.839 1.00 0.00 H new ATOM 0 HD3 ARG A 109 0.261 8.312 -6.459 1.00 0.00 H new ATOM 0 HE ARG A 109 2.344 10.043 -7.508 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -1.144 9.662 -7.121 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -1.526 10.654 -8.532 1.00 0.00 H new ATOM 0 HH21 ARG A 109 1.846 11.316 -9.318 1.00 0.00 H new ATOM 0 HH22 ARG A 109 0.159 11.586 -9.771 1.00 0.00 H new ATOM 90 N ARG A 110 -1.891 8.719 -1.302 1.00 0.00 N ATOM 91 CA ARG A 110 -2.534 7.859 -0.317 1.00 0.00 C ATOM 92 C ARG A 110 -2.218 6.391 -0.586 1.00 0.00 C ATOM 93 O ARG A 110 -2.188 5.953 -1.736 1.00 0.00 O ATOM 94 CB ARG A 110 -4.048 8.077 -0.330 1.00 0.00 C ATOM 95 CG ARG A 110 -4.455 9.507 -0.648 1.00 0.00 C ATOM 96 CD ARG A 110 -5.870 9.801 -0.174 1.00 0.00 C ATOM 97 NE ARG A 110 -6.870 9.434 -1.173 1.00 0.00 N ATOM 98 CZ ARG A 110 -7.214 10.217 -2.190 1.00 0.00 C ATOM 99 NH1 ARG A 110 -6.644 11.404 -2.340 1.00 0.00 N ATOM 100 NH2 ARG A 110 -8.133 9.811 -3.058 1.00 0.00 N ATOM 0 H ARG A 110 -2.537 9.278 -1.859 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.144 8.121 0.666 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -4.496 7.409 -1.065 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -4.455 7.800 0.643 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -3.760 10.199 -0.173 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -4.388 9.675 -1.723 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -6.063 9.256 0.750 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -5.961 10.862 0.057 1.00 0.00 H new ATOM 0 HE ARG A 110 -7.329 8.527 -1.085 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -5.939 11.719 -1.674 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -6.910 12.003 -3.122 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -8.574 8.899 -2.944 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -8.398 10.412 -3.839 1.00 0.00 H new ATOM 114 N LEU A 111 -1.984 5.636 0.481 1.00 0.00 N ATOM 115 CA LEU A 111 -1.670 4.216 0.361 1.00 0.00 C ATOM 116 C LEU A 111 -2.751 3.485 -0.428 1.00 0.00 C ATOM 117 O LEU A 111 -2.470 2.629 -1.267 1.00 0.00 O ATOM 118 CB LEU A 111 -1.518 3.588 1.747 1.00 0.00 C ATOM 119 CG LEU A 111 -0.730 2.280 1.809 1.00 0.00 C ATOM 120 CD1 LEU A 111 0.727 2.517 1.439 1.00 0.00 C ATOM 121 CD2 LEU A 111 -0.836 1.657 3.193 1.00 0.00 C ATOM 0 H LEU A 111 -2.006 5.983 1.440 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.727 4.121 -0.178 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.032 4.313 2.401 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -2.513 3.409 2.154 1.00 0.00 H new ATOM 0 HG LEU A 111 -1.159 1.585 1.087 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.273 1.575 1.489 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.785 2.917 0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 111 1.168 3.229 2.136 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -0.269 0.727 3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -0.434 2.347 3.934 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -1.882 1.450 3.420 1.00 0.00 H new ATOM 133 N PRO A 112 -4.018 3.829 -0.155 1.00 0.00 N ATOM 134 CA PRO A 112 -5.167 3.218 -0.828 1.00 0.00 C ATOM 135 C PRO A 112 -5.061 3.306 -2.347 1.00 0.00 C ATOM 136 O PRO A 112 -5.361 2.346 -3.058 1.00 0.00 O ATOM 137 CB PRO A 112 -6.353 4.045 -0.326 1.00 0.00 C ATOM 138 CG PRO A 112 -5.909 4.585 0.989 1.00 0.00 C ATOM 139 CD PRO A 112 -4.427 4.840 0.835 1.00 0.00 C ATOM 0 HA PRO A 112 -5.250 2.153 -0.609 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -6.598 4.848 -1.021 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -7.247 3.431 -0.220 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -6.442 5.502 1.238 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -6.105 3.875 1.792 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -4.226 5.852 0.485 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -3.896 4.718 1.779 1.00 0.00 H new ATOM 147 N THR A 113 -4.635 4.465 -2.840 1.00 0.00 N ATOM 148 CA THR A 113 -4.490 4.678 -4.275 1.00 0.00 C ATOM 149 C THR A 113 -3.339 3.853 -4.840 1.00 0.00 C ATOM 150 O THR A 113 -3.467 3.234 -5.896 1.00 0.00 O ATOM 151 CB THR A 113 -4.249 6.165 -4.599 1.00 0.00 C ATOM 152 OG1 THR A 113 -5.288 6.965 -4.024 1.00 0.00 O ATOM 153 CG2 THR A 113 -4.203 6.389 -6.104 1.00 0.00 C ATOM 0 H THR A 113 -4.384 5.270 -2.267 1.00 0.00 H new ATOM 0 HA THR A 113 -5.423 4.359 -4.739 1.00 0.00 H new ATOM 0 HB THR A 113 -3.289 6.457 -4.174 1.00 0.00 H new ATOM 0 HG1 THR A 113 -5.127 7.909 -4.233 1.00 0.00 H new ATOM 0 HG21 THR A 113 -4.032 7.446 -6.310 1.00 0.00 H new ATOM 0 HG22 THR A 113 -3.394 5.800 -6.535 1.00 0.00 H new ATOM 0 HG23 THR A 113 -5.151 6.082 -6.547 1.00 0.00 H new ATOM 161 N VAL A 114 -2.215 3.850 -4.131 1.00 0.00 N ATOM 162 CA VAL A 114 -1.042 3.099 -4.561 1.00 0.00 C ATOM 163 C VAL A 114 -1.322 1.601 -4.573 1.00 0.00 C ATOM 164 O VAL A 114 -0.819 0.870 -5.429 1.00 0.00 O ATOM 165 CB VAL A 114 0.168 3.377 -3.650 1.00 0.00 C ATOM 166 CG1 VAL A 114 1.357 2.525 -4.066 1.00 0.00 C ATOM 167 CG2 VAL A 114 0.526 4.855 -3.676 1.00 0.00 C ATOM 0 H VAL A 114 -2.092 4.359 -3.256 1.00 0.00 H new ATOM 0 HA VAL A 114 -0.809 3.430 -5.573 1.00 0.00 H new ATOM 0 HB VAL A 114 -0.100 3.109 -2.628 1.00 0.00 H new ATOM 0 HG11 VAL A 114 2.202 2.735 -3.411 1.00 0.00 H new ATOM 0 HG12 VAL A 114 1.093 1.470 -3.990 1.00 0.00 H new ATOM 0 HG13 VAL A 114 1.629 2.758 -5.095 1.00 0.00 H new ATOM 0 HG21 VAL A 114 1.383 5.033 -3.027 1.00 0.00 H new ATOM 0 HG22 VAL A 114 0.775 5.151 -4.695 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -0.323 5.441 -3.325 1.00 0.00 H new ATOM 177 N LEU A 115 -2.126 1.148 -3.619 1.00 0.00 N ATOM 178 CA LEU A 115 -2.475 -0.265 -3.519 1.00 0.00 C ATOM 179 C LEU A 115 -3.331 -0.700 -4.704 1.00 0.00 C ATOM 180 O LEU A 115 -3.081 -1.739 -5.316 1.00 0.00 O ATOM 181 CB LEU A 115 -3.220 -0.536 -2.210 1.00 0.00 C ATOM 182 CG LEU A 115 -2.352 -0.914 -1.010 1.00 0.00 C ATOM 183 CD1 LEU A 115 -3.105 -0.674 0.289 1.00 0.00 C ATOM 184 CD2 LEU A 115 -1.906 -2.364 -1.110 1.00 0.00 C ATOM 0 H LEU A 115 -2.549 1.738 -2.903 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.551 -0.843 -3.530 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -3.795 0.353 -1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -3.936 -1.339 -2.382 1.00 0.00 H new ATOM 0 HG LEU A 115 -1.464 -0.281 -1.014 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -2.472 -0.949 1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -3.373 0.380 0.365 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -4.010 -1.281 0.302 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.289 -2.615 -0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -2.781 -3.013 -1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -1.327 -2.505 -2.023 1.00 0.00 H new ATOM 196 N LEU A 116 -4.341 0.102 -5.024 1.00 0.00 N ATOM 197 CA LEU A 116 -5.234 -0.199 -6.138 1.00 0.00 C ATOM 198 C LEU A 116 -4.486 -0.141 -7.465 1.00 0.00 C ATOM 199 O LEU A 116 -4.696 -0.975 -8.346 1.00 0.00 O ATOM 200 CB LEU A 116 -6.406 0.783 -6.156 1.00 0.00 C ATOM 201 CG LEU A 116 -7.397 0.668 -4.996 1.00 0.00 C ATOM 202 CD1 LEU A 116 -8.314 1.880 -4.956 1.00 0.00 C ATOM 203 CD2 LEU A 116 -8.208 -0.614 -5.113 1.00 0.00 C ATOM 0 H LEU A 116 -4.562 0.965 -4.528 1.00 0.00 H new ATOM 0 HA LEU A 116 -5.618 -1.210 -6.002 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -6.005 1.796 -6.165 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -6.953 0.648 -7.089 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.834 0.634 -4.063 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -9.012 1.781 -4.125 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -7.718 2.783 -4.824 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -8.870 1.946 -5.891 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -8.908 -0.679 -4.280 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -8.761 -0.610 -6.052 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -7.537 -1.472 -5.091 1.00 0.00 H new ATOM 215 N LYS A 117 -3.609 0.848 -7.602 1.00 0.00 N ATOM 216 CA LYS A 117 -2.826 1.014 -8.821 1.00 0.00 C ATOM 217 C LYS A 117 -1.767 -0.076 -8.940 1.00 0.00 C ATOM 218 O LYS A 117 -1.460 -0.541 -10.038 1.00 0.00 O ATOM 219 CB LYS A 117 -2.160 2.391 -8.839 1.00 0.00 C ATOM 220 CG LYS A 117 -1.136 2.557 -9.949 1.00 0.00 C ATOM 221 CD LYS A 117 0.230 2.042 -9.529 1.00 0.00 C ATOM 222 CE LYS A 117 1.333 2.600 -10.415 1.00 0.00 C ATOM 223 NZ LYS A 117 2.682 2.399 -9.816 1.00 0.00 N ATOM 0 H LYS A 117 -3.423 1.547 -6.883 1.00 0.00 H new ATOM 0 HA LYS A 117 -3.502 0.933 -9.672 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -2.929 3.156 -8.948 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -1.674 2.563 -7.879 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -1.471 2.021 -10.837 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -1.061 3.610 -10.222 1.00 0.00 H new ATOM 0 HD2 LYS A 117 0.421 2.318 -8.492 1.00 0.00 H new ATOM 0 HD3 LYS A 117 0.240 0.953 -9.576 1.00 0.00 H new ATOM 0 HE2 LYS A 117 1.294 2.117 -11.391 1.00 0.00 H new ATOM 0 HE3 LYS A 117 1.163 3.664 -10.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 3.411 2.700 -10.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 2.763 2.964 -8.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 2.815 1.393 -9.589 1.00 0.00 H new ATOM 237 N LEU A 118 -1.211 -0.481 -7.803 1.00 0.00 N ATOM 238 CA LEU A 118 -0.186 -1.518 -7.779 1.00 0.00 C ATOM 239 C LEU A 118 -0.816 -2.907 -7.790 1.00 0.00 C ATOM 240 O LEU A 118 -0.191 -3.887 -7.386 1.00 0.00 O ATOM 241 CB LEU A 118 0.702 -1.359 -6.543 1.00 0.00 C ATOM 242 CG LEU A 118 1.712 -0.212 -6.586 1.00 0.00 C ATOM 243 CD1 LEU A 118 2.441 -0.093 -5.256 1.00 0.00 C ATOM 244 CD2 LEU A 118 2.703 -0.418 -7.722 1.00 0.00 C ATOM 0 H LEU A 118 -1.453 -0.107 -6.886 1.00 0.00 H new ATOM 0 HA LEU A 118 0.426 -1.409 -8.675 1.00 0.00 H new ATOM 0 HB2 LEU A 118 0.059 -1.218 -5.674 1.00 0.00 H new ATOM 0 HB3 LEU A 118 1.247 -2.291 -6.389 1.00 0.00 H new ATOM 0 HG LEU A 118 1.171 0.717 -6.765 1.00 0.00 H new ATOM 0 HD11 LEU A 118 3.156 0.728 -5.305 1.00 0.00 H new ATOM 0 HD12 LEU A 118 1.720 0.100 -4.462 1.00 0.00 H new ATOM 0 HD13 LEU A 118 2.970 -1.023 -5.047 1.00 0.00 H new ATOM 0 HD21 LEU A 118 3.415 0.407 -7.738 1.00 0.00 H new ATOM 0 HD22 LEU A 118 3.238 -1.356 -7.572 1.00 0.00 H new ATOM 0 HD23 LEU A 118 2.167 -0.454 -8.670 1.00 0.00 H new ATOM 256 N ARG A 119 -2.058 -2.983 -8.259 1.00 0.00 N ATOM 257 CA ARG A 119 -2.773 -4.252 -8.324 1.00 0.00 C ATOM 258 C ARG A 119 -2.677 -5.000 -6.997 1.00 0.00 C ATOM 259 O ARG A 119 -2.787 -6.224 -6.954 1.00 0.00 O ATOM 260 CB ARG A 119 -2.213 -5.121 -9.453 1.00 0.00 C ATOM 261 CG ARG A 119 -2.411 -4.522 -10.835 1.00 0.00 C ATOM 262 CD ARG A 119 -1.373 -5.040 -11.820 1.00 0.00 C ATOM 263 NE ARG A 119 -1.385 -4.291 -13.073 1.00 0.00 N ATOM 264 CZ ARG A 119 -0.341 -4.205 -13.889 1.00 0.00 C ATOM 265 NH1 ARG A 119 0.794 -4.822 -13.585 1.00 0.00 N ATOM 266 NH2 ARG A 119 -0.430 -3.504 -15.012 1.00 0.00 N ATOM 0 H ARG A 119 -2.589 -2.181 -8.599 1.00 0.00 H new ATOM 0 HA ARG A 119 -3.823 -4.038 -8.526 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -1.148 -5.280 -9.284 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -2.691 -6.100 -9.418 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -3.410 -4.763 -11.197 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -2.347 -3.436 -10.775 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -0.383 -4.977 -11.369 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -1.563 -6.093 -12.026 1.00 0.00 H new ATOM 0 HE ARG A 119 -2.243 -3.807 -13.336 1.00 0.00 H new ATOM 0 HH11 ARG A 119 0.865 -5.363 -12.723 1.00 0.00 H new ATOM 0 HH12 ARG A 119 1.595 -4.755 -14.213 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -1.301 -3.030 -15.250 1.00 0.00 H new ATOM 0 HH22 ARG A 119 0.373 -3.439 -15.638 1.00 0.00 H new ATOM 280 N MET A 120 -2.469 -4.254 -5.917 1.00 0.00 N ATOM 281 CA MET A 120 -2.358 -4.846 -4.589 1.00 0.00 C ATOM 282 C MET A 120 -3.736 -5.057 -3.971 1.00 0.00 C ATOM 283 O MET A 120 -3.934 -5.969 -3.170 1.00 0.00 O ATOM 284 CB MET A 120 -1.510 -3.955 -3.679 1.00 0.00 C ATOM 285 CG MET A 120 -0.057 -3.851 -4.115 1.00 0.00 C ATOM 286 SD MET A 120 0.968 -5.170 -3.433 1.00 0.00 S ATOM 287 CE MET A 120 1.288 -4.533 -1.789 1.00 0.00 C ATOM 0 H MET A 120 -2.374 -3.239 -5.935 1.00 0.00 H new ATOM 0 HA MET A 120 -1.872 -5.816 -4.691 1.00 0.00 H new ATOM 0 HB2 MET A 120 -1.946 -2.956 -3.653 1.00 0.00 H new ATOM 0 HB3 MET A 120 -1.549 -4.346 -2.662 1.00 0.00 H new ATOM 0 HG2 MET A 120 -0.005 -3.881 -5.203 1.00 0.00 H new ATOM 0 HG3 MET A 120 0.344 -2.886 -3.804 1.00 0.00 H new ATOM 0 HE1 MET A 120 1.983 -5.194 -1.272 1.00 0.00 H new ATOM 0 HE2 MET A 120 1.722 -3.536 -1.863 1.00 0.00 H new ATOM 0 HE3 MET A 120 0.353 -4.481 -1.231 1.00 0.00 H new ATOM 297 N ALA A 121 -4.686 -4.207 -4.349 1.00 0.00 N ATOM 298 CA ALA A 121 -6.046 -4.303 -3.833 1.00 0.00 C ATOM 299 C ALA A 121 -7.061 -4.364 -4.969 1.00 0.00 C ATOM 300 O ALA A 121 -6.691 -4.405 -6.142 1.00 0.00 O ATOM 301 CB ALA A 121 -6.347 -3.126 -2.916 1.00 0.00 C ATOM 0 H ALA A 121 -4.539 -3.445 -5.010 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.126 -5.226 -3.259 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -7.366 -3.211 -2.538 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -5.648 -3.128 -2.079 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -6.243 -2.195 -3.473 1.00 0.00 H new ATOM 307 N GLN A 122 -8.341 -4.370 -4.612 1.00 0.00 N ATOM 308 CA GLN A 122 -9.410 -4.428 -5.604 1.00 0.00 C ATOM 309 C GLN A 122 -10.007 -3.046 -5.841 1.00 0.00 C ATOM 310 O GLN A 122 -9.758 -2.419 -6.872 1.00 0.00 O ATOM 311 CB GLN A 122 -10.502 -5.398 -5.151 1.00 0.00 C ATOM 312 CG GLN A 122 -10.036 -6.842 -5.065 1.00 0.00 C ATOM 313 CD GLN A 122 -11.031 -7.735 -4.349 1.00 0.00 C ATOM 314 OE1 GLN A 122 -11.458 -7.438 -3.234 1.00 0.00 O ATOM 315 NE2 GLN A 122 -11.406 -8.836 -4.990 1.00 0.00 N ATOM 0 H GLN A 122 -8.664 -4.335 -3.645 1.00 0.00 H new ATOM 0 HA GLN A 122 -8.983 -4.785 -6.541 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -10.871 -5.086 -4.174 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -11.341 -5.336 -5.844 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -9.868 -7.226 -6.071 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -9.079 -6.881 -4.545 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -11.026 -9.043 -5.914 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -12.074 -9.475 -4.559 1.00 0.00 H new ATOM 324 N HIS A 123 -10.797 -2.574 -4.881 1.00 0.00 N ATOM 325 CA HIS A 123 -11.430 -1.264 -4.986 1.00 0.00 C ATOM 326 C HIS A 123 -10.996 -0.358 -3.839 1.00 0.00 C ATOM 327 O HIS A 123 -10.323 -0.798 -2.906 1.00 0.00 O ATOM 328 CB HIS A 123 -12.952 -1.409 -4.989 1.00 0.00 C ATOM 329 CG HIS A 123 -13.461 -2.412 -3.998 1.00 0.00 C ATOM 330 ND1 HIS A 123 -14.149 -2.058 -2.857 1.00 0.00 N ATOM 331 CD2 HIS A 123 -13.378 -3.762 -3.982 1.00 0.00 C ATOM 332 CE1 HIS A 123 -14.468 -3.148 -2.182 1.00 0.00 C ATOM 333 NE2 HIS A 123 -14.012 -4.195 -2.844 1.00 0.00 N ATOM 0 H HIS A 123 -11.014 -3.079 -4.022 1.00 0.00 H new ATOM 0 HA HIS A 123 -11.114 -0.809 -5.925 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -13.401 -0.439 -4.775 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -13.279 -1.699 -5.988 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -12.902 -4.383 -4.726 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -15.009 -3.177 -1.248 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -14.114 -5.168 -2.557 1.00 0.00 H new ATOM 341 N LEU A 124 -11.384 0.911 -3.914 1.00 0.00 N ATOM 342 CA LEU A 124 -11.035 1.881 -2.882 1.00 0.00 C ATOM 343 C LEU A 124 -11.445 1.378 -1.502 1.00 0.00 C ATOM 344 O LEU A 124 -10.658 1.424 -0.556 1.00 0.00 O ATOM 345 CB LEU A 124 -11.707 3.224 -3.169 1.00 0.00 C ATOM 346 CG LEU A 124 -11.384 4.358 -2.195 1.00 0.00 C ATOM 347 CD1 LEU A 124 -9.914 4.735 -2.283 1.00 0.00 C ATOM 348 CD2 LEU A 124 -12.264 5.567 -2.472 1.00 0.00 C ATOM 0 H LEU A 124 -11.941 1.292 -4.679 1.00 0.00 H new ATOM 0 HA LEU A 124 -9.953 2.014 -2.893 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -11.424 3.542 -4.172 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -12.787 3.073 -3.175 1.00 0.00 H new ATOM 0 HG LEU A 124 -11.589 4.010 -1.183 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -9.703 5.543 -1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -9.301 3.869 -2.033 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -9.683 5.063 -3.296 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -12.020 6.364 -1.769 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -12.092 5.916 -3.490 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -13.311 5.289 -2.355 1.00 0.00 H new ATOM 360 N GLN A 125 -12.678 0.898 -1.395 1.00 0.00 N ATOM 361 CA GLN A 125 -13.191 0.385 -0.129 1.00 0.00 C ATOM 362 C GLN A 125 -12.348 -0.785 0.365 1.00 0.00 C ATOM 363 O GLN A 125 -12.111 -0.928 1.565 1.00 0.00 O ATOM 364 CB GLN A 125 -14.649 -0.051 -0.285 1.00 0.00 C ATOM 365 CG GLN A 125 -15.429 -0.043 1.020 1.00 0.00 C ATOM 366 CD GLN A 125 -16.635 -0.961 0.984 1.00 0.00 C ATOM 367 OE1 GLN A 125 -16.500 -2.177 0.841 1.00 0.00 O ATOM 368 NE2 GLN A 125 -17.823 -0.384 1.116 1.00 0.00 N ATOM 0 H GLN A 125 -13.341 0.853 -2.169 1.00 0.00 H new ATOM 0 HA GLN A 125 -13.136 1.186 0.608 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -15.143 0.609 -0.998 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -14.676 -1.055 -0.709 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -14.771 -0.346 1.834 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -15.757 0.974 1.237 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -17.889 0.627 1.232 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -18.670 -0.952 1.101 1.00 0.00 H new ATOM 377 N ALA A 126 -11.898 -1.620 -0.566 1.00 0.00 N ATOM 378 CA ALA A 126 -11.079 -2.777 -0.223 1.00 0.00 C ATOM 379 C ALA A 126 -9.694 -2.349 0.248 1.00 0.00 C ATOM 380 O ALA A 126 -9.192 -2.841 1.258 1.00 0.00 O ATOM 381 CB ALA A 126 -10.968 -3.715 -1.416 1.00 0.00 C ATOM 0 H ALA A 126 -12.087 -1.517 -1.563 1.00 0.00 H new ATOM 0 HA ALA A 126 -11.564 -3.306 0.597 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -10.354 -4.575 -1.147 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -11.962 -4.055 -1.705 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -10.508 -3.188 -2.252 1.00 0.00 H new ATOM 387 N ALA A 127 -9.081 -1.429 -0.490 1.00 0.00 N ATOM 388 CA ALA A 127 -7.754 -0.934 -0.147 1.00 0.00 C ATOM 389 C ALA A 127 -7.780 -0.159 1.166 1.00 0.00 C ATOM 390 O ALA A 127 -6.898 -0.317 2.010 1.00 0.00 O ATOM 391 CB ALA A 127 -7.209 -0.061 -1.267 1.00 0.00 C ATOM 0 H ALA A 127 -9.483 -1.012 -1.329 1.00 0.00 H new ATOM 0 HA ALA A 127 -7.095 -1.793 -0.019 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -6.217 0.301 -0.996 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -7.144 -0.645 -2.185 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -7.875 0.788 -1.424 1.00 0.00 H new ATOM 397 N VAL A 128 -8.797 0.681 1.333 1.00 0.00 N ATOM 398 CA VAL A 128 -8.938 1.481 2.543 1.00 0.00 C ATOM 399 C VAL A 128 -9.158 0.596 3.764 1.00 0.00 C ATOM 400 O VAL A 128 -8.553 0.808 4.814 1.00 0.00 O ATOM 401 CB VAL A 128 -10.109 2.475 2.425 1.00 0.00 C ATOM 402 CG1 VAL A 128 -10.291 3.243 3.726 1.00 0.00 C ATOM 403 CG2 VAL A 128 -9.884 3.427 1.261 1.00 0.00 C ATOM 0 H VAL A 128 -9.536 0.825 0.644 1.00 0.00 H new ATOM 0 HA VAL A 128 -8.009 2.038 2.665 1.00 0.00 H new ATOM 0 HB VAL A 128 -11.023 1.912 2.233 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -11.123 3.940 3.624 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -10.501 2.544 4.535 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -9.380 3.796 3.953 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -10.721 4.122 1.192 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -8.961 3.985 1.420 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -9.809 2.858 0.335 1.00 0.00 H new ATOM 413 N ALA A 129 -10.028 -0.398 3.619 1.00 0.00 N ATOM 414 CA ALA A 129 -10.326 -1.318 4.710 1.00 0.00 C ATOM 415 C ALA A 129 -9.094 -2.128 5.097 1.00 0.00 C ATOM 416 O ALA A 129 -8.877 -2.425 6.272 1.00 0.00 O ATOM 417 CB ALA A 129 -11.469 -2.244 4.321 1.00 0.00 C ATOM 0 H ALA A 129 -10.539 -0.587 2.757 1.00 0.00 H new ATOM 0 HA ALA A 129 -10.628 -0.730 5.577 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -11.681 -2.926 5.145 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -12.358 -1.652 4.101 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -11.188 -2.818 3.438 1.00 0.00 H new ATOM 423 N PHE A 130 -8.289 -2.484 4.101 1.00 0.00 N ATOM 424 CA PHE A 130 -7.079 -3.263 4.338 1.00 0.00 C ATOM 425 C PHE A 130 -6.079 -2.471 5.177 1.00 0.00 C ATOM 426 O PHE A 130 -5.473 -3.005 6.107 1.00 0.00 O ATOM 427 CB PHE A 130 -6.438 -3.665 3.008 1.00 0.00 C ATOM 428 CG PHE A 130 -7.020 -4.918 2.418 1.00 0.00 C ATOM 429 CD1 PHE A 130 -7.218 -6.042 3.204 1.00 0.00 C ATOM 430 CD2 PHE A 130 -7.367 -4.973 1.078 1.00 0.00 C ATOM 431 CE1 PHE A 130 -7.753 -7.196 2.664 1.00 0.00 C ATOM 432 CE2 PHE A 130 -7.903 -6.124 0.533 1.00 0.00 C ATOM 433 CZ PHE A 130 -8.095 -7.238 1.328 1.00 0.00 C ATOM 0 H PHE A 130 -8.453 -2.246 3.123 1.00 0.00 H new ATOM 0 HA PHE A 130 -7.357 -4.163 4.887 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -6.555 -2.849 2.295 1.00 0.00 H new ATOM 0 HB3 PHE A 130 -5.368 -3.806 3.157 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -6.951 -6.016 4.250 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -7.217 -4.106 0.452 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -7.903 -8.065 3.288 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -8.172 -6.153 -0.513 1.00 0.00 H new ATOM 0 HZ PHE A 130 -8.512 -8.140 0.904 1.00 0.00 H new ATOM 443 N VAL A 131 -5.912 -1.196 4.843 1.00 0.00 N ATOM 444 CA VAL A 131 -4.987 -0.331 5.565 1.00 0.00 C ATOM 445 C VAL A 131 -5.413 -0.164 7.019 1.00 0.00 C ATOM 446 O VAL A 131 -4.592 -0.258 7.931 1.00 0.00 O ATOM 447 CB VAL A 131 -4.889 1.059 4.908 1.00 0.00 C ATOM 448 CG1 VAL A 131 -3.950 1.958 5.698 1.00 0.00 C ATOM 449 CG2 VAL A 131 -4.431 0.933 3.462 1.00 0.00 C ATOM 0 H VAL A 131 -6.406 -0.739 4.076 1.00 0.00 H new ATOM 0 HA VAL A 131 -4.010 -0.812 5.528 1.00 0.00 H new ATOM 0 HB VAL A 131 -5.879 1.515 4.913 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -3.893 2.935 5.219 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -4.326 2.073 6.715 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -2.957 1.510 5.727 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -4.367 1.924 3.013 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -3.451 0.457 3.431 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -5.146 0.328 2.905 1.00 0.00 H new ATOM 459 N GLU A 132 -6.702 0.084 7.229 1.00 0.00 N ATOM 460 CA GLU A 132 -7.237 0.265 8.573 1.00 0.00 C ATOM 461 C GLU A 132 -7.205 -1.047 9.352 1.00 0.00 C ATOM 462 O GLU A 132 -7.152 -1.050 10.581 1.00 0.00 O ATOM 463 CB GLU A 132 -8.669 0.798 8.509 1.00 0.00 C ATOM 464 CG GLU A 132 -8.788 2.141 7.809 1.00 0.00 C ATOM 465 CD GLU A 132 -10.192 2.711 7.874 1.00 0.00 C ATOM 466 OE1 GLU A 132 -10.995 2.412 6.966 1.00 0.00 O ATOM 467 OE2 GLU A 132 -10.488 3.455 8.832 1.00 0.00 O ATOM 0 H GLU A 132 -7.395 0.164 6.485 1.00 0.00 H new ATOM 0 HA GLU A 132 -6.610 0.991 9.091 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -9.295 0.071 7.991 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -9.059 0.890 9.523 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -8.092 2.846 8.264 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -8.493 2.030 6.766 1.00 0.00 H new ATOM 474 N GLN A 133 -7.238 -2.160 8.626 1.00 0.00 N ATOM 475 CA GLN A 133 -7.214 -3.479 9.248 1.00 0.00 C ATOM 476 C GLN A 133 -5.783 -3.971 9.426 1.00 0.00 C ATOM 477 O GLN A 133 -5.534 -5.174 9.503 1.00 0.00 O ATOM 478 CB GLN A 133 -8.009 -4.478 8.405 1.00 0.00 C ATOM 479 CG GLN A 133 -9.486 -4.536 8.762 1.00 0.00 C ATOM 480 CD GLN A 133 -10.171 -5.770 8.210 1.00 0.00 C ATOM 481 OE1 GLN A 133 -10.212 -6.815 8.860 1.00 0.00 O ATOM 482 NE2 GLN A 133 -10.716 -5.657 7.004 1.00 0.00 N ATOM 0 H GLN A 133 -7.281 -2.175 7.607 1.00 0.00 H new ATOM 0 HA GLN A 133 -7.675 -3.397 10.232 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -7.908 -4.214 7.352 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -7.575 -5.470 8.527 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -9.595 -4.519 9.846 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -9.984 -3.646 8.378 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -10.659 -4.772 6.500 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -11.191 -6.455 6.582 1.00 0.00 H new ATOM 491 N GLY A 134 -4.842 -3.033 9.489 1.00 0.00 N ATOM 492 CA GLY A 134 -3.446 -3.391 9.657 1.00 0.00 C ATOM 493 C GLY A 134 -3.053 -4.595 8.824 1.00 0.00 C ATOM 494 O GLY A 134 -2.508 -5.570 9.345 1.00 0.00 O ATOM 0 H GLY A 134 -5.022 -2.031 9.427 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -2.820 -2.542 9.381 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -3.252 -3.601 10.709 1.00 0.00 H new ATOM 498 N HIS A 135 -3.330 -4.531 7.525 1.00 0.00 N ATOM 499 CA HIS A 135 -3.001 -5.625 6.618 1.00 0.00 C ATOM 500 C HIS A 135 -1.827 -5.250 5.718 1.00 0.00 C ATOM 501 O HIS A 135 -1.066 -6.115 5.282 1.00 0.00 O ATOM 502 CB HIS A 135 -4.216 -5.989 5.766 1.00 0.00 C ATOM 503 CG HIS A 135 -5.151 -6.950 6.434 1.00 0.00 C ATOM 504 ND1 HIS A 135 -6.449 -6.820 6.790 1.00 0.00 N flip ATOM 505 CD2 HIS A 135 -4.776 -8.222 6.815 1.00 0.00 C flip ATOM 506 CE1 HIS A 135 -6.833 -8.002 7.372 1.00 0.00 C flip ATOM 507 NE2 HIS A 135 -5.805 -8.832 7.375 1.00 0.00 N flip ATOM 0 H HIS A 135 -3.781 -3.733 7.077 1.00 0.00 H new ATOM 0 HA HIS A 135 -2.714 -6.489 7.217 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -4.761 -5.078 5.517 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -3.874 -6.422 4.826 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -3.795 -8.652 6.677 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -7.816 -8.219 7.764 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -5.806 -9.782 7.746 1.00 0.00 H new ATOM 515 N VAL A 136 -1.686 -3.957 5.444 1.00 0.00 N ATOM 516 CA VAL A 136 -0.604 -3.469 4.596 1.00 0.00 C ATOM 517 C VAL A 136 0.342 -2.566 5.380 1.00 0.00 C ATOM 518 O VAL A 136 -0.093 -1.651 6.079 1.00 0.00 O ATOM 519 CB VAL A 136 -1.149 -2.695 3.383 1.00 0.00 C ATOM 520 CG1 VAL A 136 -0.010 -2.259 2.472 1.00 0.00 C ATOM 521 CG2 VAL A 136 -2.158 -3.540 2.620 1.00 0.00 C ATOM 0 H VAL A 136 -2.307 -3.229 5.797 1.00 0.00 H new ATOM 0 HA VAL A 136 -0.057 -4.343 4.243 1.00 0.00 H new ATOM 0 HB VAL A 136 -1.658 -1.801 3.744 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -0.414 -1.713 1.620 1.00 0.00 H new ATOM 0 HG12 VAL A 136 0.672 -1.614 3.026 1.00 0.00 H new ATOM 0 HG13 VAL A 136 0.529 -3.138 2.118 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -2.533 -2.976 1.766 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -1.677 -4.453 2.269 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -2.989 -3.797 3.277 1.00 0.00 H new ATOM 531 N ARG A 137 1.639 -2.828 5.255 1.00 0.00 N ATOM 532 CA ARG A 137 2.648 -2.038 5.952 1.00 0.00 C ATOM 533 C ARG A 137 3.585 -1.356 4.960 1.00 0.00 C ATOM 534 O ARG A 137 3.815 -1.860 3.861 1.00 0.00 O ATOM 535 CB ARG A 137 3.453 -2.925 6.904 1.00 0.00 C ATOM 536 CG ARG A 137 4.288 -3.979 6.194 1.00 0.00 C ATOM 537 CD ARG A 137 5.548 -4.311 6.978 1.00 0.00 C ATOM 538 NE ARG A 137 5.262 -5.129 8.154 1.00 0.00 N ATOM 539 CZ ARG A 137 6.197 -5.746 8.867 1.00 0.00 C ATOM 540 NH1 ARG A 137 7.473 -5.640 8.523 1.00 0.00 N ATOM 541 NH2 ARG A 137 5.857 -6.472 9.924 1.00 0.00 N ATOM 0 H ARG A 137 2.016 -3.580 4.678 1.00 0.00 H new ATOM 0 HA ARG A 137 2.136 -1.268 6.529 1.00 0.00 H new ATOM 0 HB2 ARG A 137 4.111 -2.296 7.504 1.00 0.00 H new ATOM 0 HB3 ARG A 137 2.768 -3.419 7.593 1.00 0.00 H new ATOM 0 HG2 ARG A 137 3.695 -4.883 6.056 1.00 0.00 H new ATOM 0 HG3 ARG A 137 4.560 -3.622 5.201 1.00 0.00 H new ATOM 0 HD2 ARG A 137 6.249 -4.839 6.331 1.00 0.00 H new ATOM 0 HD3 ARG A 137 6.035 -3.387 7.289 1.00 0.00 H new ATOM 0 HE ARG A 137 4.289 -5.232 8.444 1.00 0.00 H new ATOM 0 HH11 ARG A 137 7.737 -5.084 7.710 1.00 0.00 H new ATOM 0 HH12 ARG A 137 8.190 -6.114 9.072 1.00 0.00 H new ATOM 0 HH21 ARG A 137 4.876 -6.557 10.190 1.00 0.00 H new ATOM 0 HH22 ARG A 137 6.577 -6.945 10.470 1.00 0.00 H new ATOM 555 N VAL A 138 4.122 -0.208 5.356 1.00 0.00 N ATOM 556 CA VAL A 138 5.035 0.544 4.501 1.00 0.00 C ATOM 557 C VAL A 138 6.447 0.546 5.076 1.00 0.00 C ATOM 558 O VAL A 138 6.709 1.163 6.107 1.00 0.00 O ATOM 559 CB VAL A 138 4.564 1.999 4.320 1.00 0.00 C ATOM 560 CG1 VAL A 138 5.552 2.777 3.465 1.00 0.00 C ATOM 561 CG2 VAL A 138 3.172 2.036 3.708 1.00 0.00 C ATOM 0 H VAL A 138 3.942 0.223 6.263 1.00 0.00 H new ATOM 0 HA VAL A 138 5.041 0.049 3.530 1.00 0.00 H new ATOM 0 HB VAL A 138 4.517 2.472 5.301 1.00 0.00 H new ATOM 0 HG11 VAL A 138 5.203 3.803 3.348 1.00 0.00 H new ATOM 0 HG12 VAL A 138 6.529 2.779 3.949 1.00 0.00 H new ATOM 0 HG13 VAL A 138 5.634 2.307 2.485 1.00 0.00 H new ATOM 0 HG21 VAL A 138 2.855 3.072 3.587 1.00 0.00 H new ATOM 0 HG22 VAL A 138 3.189 1.546 2.734 1.00 0.00 H new ATOM 0 HG23 VAL A 138 2.473 1.517 4.363 1.00 0.00 H new ATOM 571 N GLY A 139 7.357 -0.148 4.398 1.00 0.00 N ATOM 572 CA GLY A 139 8.733 -0.212 4.855 1.00 0.00 C ATOM 573 C GLY A 139 8.849 -0.740 6.271 1.00 0.00 C ATOM 574 O GLY A 139 8.057 -1.573 6.713 1.00 0.00 O ATOM 0 H GLY A 139 7.166 -0.667 3.541 1.00 0.00 H new ATOM 0 HA2 GLY A 139 9.306 -0.852 4.184 1.00 0.00 H new ATOM 0 HA3 GLY A 139 9.176 0.782 4.804 1.00 0.00 H new ATOM 578 N PRO A 140 9.859 -0.253 7.007 1.00 0.00 N ATOM 579 CA PRO A 140 10.101 -0.668 8.392 1.00 0.00 C ATOM 580 C PRO A 140 9.028 -0.155 9.347 1.00 0.00 C ATOM 581 O PRO A 140 9.114 -0.357 10.558 1.00 0.00 O ATOM 582 CB PRO A 140 11.455 -0.034 8.721 1.00 0.00 C ATOM 583 CG PRO A 140 11.557 1.137 7.807 1.00 0.00 C ATOM 584 CD PRO A 140 10.842 0.741 6.545 1.00 0.00 C ATOM 0 HA PRO A 140 10.084 -1.752 8.501 1.00 0.00 H new ATOM 0 HB2 PRO A 140 11.505 0.274 9.766 1.00 0.00 H new ATOM 0 HB3 PRO A 140 12.272 -0.737 8.556 1.00 0.00 H new ATOM 0 HG2 PRO A 140 11.101 2.021 8.253 1.00 0.00 H new ATOM 0 HG3 PRO A 140 12.599 1.384 7.604 1.00 0.00 H new ATOM 0 HD2 PRO A 140 10.358 1.596 6.073 1.00 0.00 H new ATOM 0 HD3 PRO A 140 11.527 0.317 5.811 1.00 0.00 H new ATOM 592 N ASP A 141 8.018 0.507 8.793 1.00 0.00 N ATOM 593 CA ASP A 141 6.927 1.047 9.596 1.00 0.00 C ATOM 594 C ASP A 141 5.582 0.507 9.119 1.00 0.00 C ATOM 595 O ASP A 141 5.312 0.458 7.919 1.00 0.00 O ATOM 596 CB ASP A 141 6.927 2.576 9.534 1.00 0.00 C ATOM 597 CG ASP A 141 8.010 3.189 10.401 1.00 0.00 C ATOM 598 OD1 ASP A 141 7.890 3.115 11.641 1.00 0.00 O ATOM 599 OD2 ASP A 141 8.977 3.743 9.838 1.00 0.00 O ATOM 0 H ASP A 141 7.932 0.682 7.792 1.00 0.00 H new ATOM 0 HA ASP A 141 7.079 0.733 10.629 1.00 0.00 H new ATOM 0 HB2 ASP A 141 7.068 2.895 8.501 1.00 0.00 H new ATOM 0 HB3 ASP A 141 5.954 2.950 9.853 1.00 0.00 H new ATOM 604 N VAL A 142 4.743 0.101 10.066 1.00 0.00 N ATOM 605 CA VAL A 142 3.427 -0.435 9.743 1.00 0.00 C ATOM 606 C VAL A 142 2.375 0.667 9.718 1.00 0.00 C ATOM 607 O VAL A 142 2.014 1.220 10.757 1.00 0.00 O ATOM 608 CB VAL A 142 2.997 -1.516 10.753 1.00 0.00 C ATOM 609 CG1 VAL A 142 1.536 -1.886 10.550 1.00 0.00 C ATOM 610 CG2 VAL A 142 3.889 -2.743 10.631 1.00 0.00 C ATOM 0 H VAL A 142 4.952 0.133 11.064 1.00 0.00 H new ATOM 0 HA VAL A 142 3.503 -0.883 8.752 1.00 0.00 H new ATOM 0 HB VAL A 142 3.108 -1.113 11.760 1.00 0.00 H new ATOM 0 HG11 VAL A 142 1.251 -2.651 11.272 1.00 0.00 H new ATOM 0 HG12 VAL A 142 0.914 -1.002 10.692 1.00 0.00 H new ATOM 0 HG13 VAL A 142 1.395 -2.270 9.540 1.00 0.00 H new ATOM 0 HG21 VAL A 142 3.571 -3.497 11.352 1.00 0.00 H new ATOM 0 HG22 VAL A 142 3.812 -3.150 9.623 1.00 0.00 H new ATOM 0 HG23 VAL A 142 4.923 -2.462 10.831 1.00 0.00 H new ATOM 620 N VAL A 143 1.884 0.984 8.523 1.00 0.00 N ATOM 621 CA VAL A 143 0.872 2.020 8.362 1.00 0.00 C ATOM 622 C VAL A 143 -0.532 1.447 8.526 1.00 0.00 C ATOM 623 O VAL A 143 -0.872 0.424 7.931 1.00 0.00 O ATOM 624 CB VAL A 143 0.978 2.699 6.984 1.00 0.00 C ATOM 625 CG1 VAL A 143 -0.112 3.748 6.819 1.00 0.00 C ATOM 626 CG2 VAL A 143 2.356 3.318 6.801 1.00 0.00 C ATOM 0 H VAL A 143 2.172 0.537 7.652 1.00 0.00 H new ATOM 0 HA VAL A 143 1.053 2.762 9.140 1.00 0.00 H new ATOM 0 HB VAL A 143 0.839 1.941 6.213 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -0.021 4.217 5.839 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -1.090 3.273 6.904 1.00 0.00 H new ATOM 0 HG13 VAL A 143 -0.008 4.506 7.595 1.00 0.00 H new ATOM 0 HG21 VAL A 143 2.414 3.794 5.822 1.00 0.00 H new ATOM 0 HG22 VAL A 143 2.526 4.064 7.578 1.00 0.00 H new ATOM 0 HG23 VAL A 143 3.117 2.540 6.872 1.00 0.00 H new ATOM 636 N THR A 144 -1.345 2.114 9.339 1.00 0.00 N ATOM 637 CA THR A 144 -2.713 1.671 9.583 1.00 0.00 C ATOM 638 C THR A 144 -3.721 2.666 9.020 1.00 0.00 C ATOM 639 O THR A 144 -4.912 2.368 8.921 1.00 0.00 O ATOM 640 CB THR A 144 -2.981 1.482 11.089 1.00 0.00 C ATOM 641 OG1 THR A 144 -2.558 2.642 11.812 1.00 0.00 O ATOM 642 CG2 THR A 144 -2.253 0.254 11.617 1.00 0.00 C ATOM 0 H THR A 144 -1.080 2.962 9.840 1.00 0.00 H new ATOM 0 HA THR A 144 -2.831 0.713 9.077 1.00 0.00 H new ATOM 0 HB THR A 144 -4.052 1.339 11.230 1.00 0.00 H new ATOM 0 HG1 THR A 144 -2.734 2.514 12.768 1.00 0.00 H new ATOM 0 HG21 THR A 144 -2.456 0.140 12.682 1.00 0.00 H new ATOM 0 HG22 THR A 144 -2.600 -0.632 11.085 1.00 0.00 H new ATOM 0 HG23 THR A 144 -1.180 0.373 11.463 1.00 0.00 H new ATOM 650 N ASP A 145 -3.238 3.847 8.652 1.00 0.00 N ATOM 651 CA ASP A 145 -4.098 4.886 8.097 1.00 0.00 C ATOM 652 C ASP A 145 -3.923 4.985 6.584 1.00 0.00 C ATOM 653 O ASP A 145 -2.808 4.986 6.062 1.00 0.00 O ATOM 654 CB ASP A 145 -3.789 6.235 8.747 1.00 0.00 C ATOM 655 CG ASP A 145 -4.829 7.288 8.418 1.00 0.00 C ATOM 656 OD1 ASP A 145 -5.104 7.495 7.218 1.00 0.00 O ATOM 657 OD2 ASP A 145 -5.369 7.903 9.361 1.00 0.00 O ATOM 0 H ASP A 145 -2.255 4.109 8.728 1.00 0.00 H new ATOM 0 HA ASP A 145 -5.133 4.618 8.309 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -3.733 6.110 9.828 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -2.810 6.579 8.415 1.00 0.00 H new ATOM 662 N PRO A 146 -5.050 5.069 5.862 1.00 0.00 N ATOM 663 CA PRO A 146 -5.047 5.169 4.400 1.00 0.00 C ATOM 664 C PRO A 146 -4.519 6.513 3.911 1.00 0.00 C ATOM 665 O PRO A 146 -3.748 6.576 2.954 1.00 0.00 O ATOM 666 CB PRO A 146 -6.525 5.009 4.030 1.00 0.00 C ATOM 667 CG PRO A 146 -7.268 5.458 5.241 1.00 0.00 C ATOM 668 CD PRO A 146 -6.414 5.073 6.417 1.00 0.00 C ATOM 0 HA PRO A 146 -4.395 4.424 3.943 1.00 0.00 H new ATOM 0 HB2 PRO A 146 -6.783 5.613 3.160 1.00 0.00 H new ATOM 0 HB3 PRO A 146 -6.761 3.974 3.781 1.00 0.00 H new ATOM 0 HG2 PRO A 146 -7.438 6.534 5.218 1.00 0.00 H new ATOM 0 HG3 PRO A 146 -8.247 4.982 5.297 1.00 0.00 H new ATOM 0 HD2 PRO A 146 -6.513 5.786 7.236 1.00 0.00 H new ATOM 0 HD3 PRO A 146 -6.690 4.095 6.811 1.00 0.00 H new ATOM 676 N ALA A 147 -4.938 7.585 4.576 1.00 0.00 N ATOM 677 CA ALA A 147 -4.504 8.927 4.211 1.00 0.00 C ATOM 678 C ALA A 147 -2.985 9.001 4.094 1.00 0.00 C ATOM 679 O ALA A 147 -2.443 9.918 3.476 1.00 0.00 O ATOM 680 CB ALA A 147 -5.007 9.940 5.228 1.00 0.00 C ATOM 0 H ALA A 147 -5.577 7.550 5.370 1.00 0.00 H new ATOM 0 HA ALA A 147 -4.929 9.166 3.236 1.00 0.00 H new ATOM 0 HB1 ALA A 147 -4.675 10.938 4.942 1.00 0.00 H new ATOM 0 HB2 ALA A 147 -6.096 9.915 5.259 1.00 0.00 H new ATOM 0 HB3 ALA A 147 -4.611 9.694 6.213 1.00 0.00 H new ATOM 686 N PHE A 148 -2.303 8.031 4.693 1.00 0.00 N ATOM 687 CA PHE A 148 -0.846 7.987 4.658 1.00 0.00 C ATOM 688 C PHE A 148 -0.327 8.245 3.247 1.00 0.00 C ATOM 689 O PHE A 148 -0.736 7.583 2.292 1.00 0.00 O ATOM 690 CB PHE A 148 -0.343 6.631 5.158 1.00 0.00 C ATOM 691 CG PHE A 148 1.150 6.484 5.093 1.00 0.00 C ATOM 692 CD1 PHE A 148 1.968 7.209 5.944 1.00 0.00 C ATOM 693 CD2 PHE A 148 1.736 5.620 4.182 1.00 0.00 C ATOM 694 CE1 PHE A 148 3.343 7.076 5.887 1.00 0.00 C ATOM 695 CE2 PHE A 148 3.110 5.483 4.119 1.00 0.00 C ATOM 696 CZ PHE A 148 3.914 6.211 4.974 1.00 0.00 C ATOM 0 H PHE A 148 -2.736 7.265 5.209 1.00 0.00 H new ATOM 0 HA PHE A 148 -0.469 8.772 5.314 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -0.669 6.489 6.188 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -0.804 5.841 4.566 1.00 0.00 H new ATOM 0 HD1 PHE A 148 1.527 7.886 6.660 1.00 0.00 H new ATOM 0 HD2 PHE A 148 1.112 5.047 3.513 1.00 0.00 H new ATOM 0 HE1 PHE A 148 3.970 7.648 6.555 1.00 0.00 H new ATOM 0 HE2 PHE A 148 3.554 4.808 3.402 1.00 0.00 H new ATOM 0 HZ PHE A 148 4.988 6.104 4.929 1.00 0.00 H new ATOM 706 N LEU A 149 0.574 9.212 3.122 1.00 0.00 N ATOM 707 CA LEU A 149 1.149 9.561 1.827 1.00 0.00 C ATOM 708 C LEU A 149 2.450 8.801 1.587 1.00 0.00 C ATOM 709 O LEU A 149 3.294 8.697 2.478 1.00 0.00 O ATOM 710 CB LEU A 149 1.403 11.067 1.748 1.00 0.00 C ATOM 711 CG LEU A 149 0.160 11.957 1.717 1.00 0.00 C ATOM 712 CD1 LEU A 149 0.542 13.415 1.909 1.00 0.00 C ATOM 713 CD2 LEU A 149 -0.598 11.769 0.411 1.00 0.00 C ATOM 0 H LEU A 149 0.923 9.769 3.902 1.00 0.00 H new ATOM 0 HA LEU A 149 0.436 9.279 1.053 1.00 0.00 H new ATOM 0 HB2 LEU A 149 2.012 11.358 2.604 1.00 0.00 H new ATOM 0 HB3 LEU A 149 1.992 11.269 0.854 1.00 0.00 H new ATOM 0 HG LEU A 149 -0.494 11.664 2.539 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -0.356 14.033 1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 149 1.040 13.537 2.871 1.00 0.00 H new ATOM 0 HD13 LEU A 149 1.216 13.723 1.110 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -1.480 12.410 0.406 1.00 0.00 H new ATOM 0 HD22 LEU A 149 0.048 12.034 -0.426 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -0.906 10.728 0.316 1.00 0.00 H new ATOM 725 N VAL A 150 2.606 8.273 0.377 1.00 0.00 N ATOM 726 CA VAL A 150 3.805 7.525 0.019 1.00 0.00 C ATOM 727 C VAL A 150 4.364 7.992 -1.320 1.00 0.00 C ATOM 728 O VAL A 150 3.616 8.245 -2.265 1.00 0.00 O ATOM 729 CB VAL A 150 3.523 6.013 -0.055 1.00 0.00 C ATOM 730 CG1 VAL A 150 4.824 5.225 -0.045 1.00 0.00 C ATOM 731 CG2 VAL A 150 2.620 5.583 1.091 1.00 0.00 C ATOM 0 H VAL A 150 1.917 8.350 -0.371 1.00 0.00 H new ATOM 0 HA VAL A 150 4.540 7.712 0.802 1.00 0.00 H new ATOM 0 HB VAL A 150 3.007 5.803 -0.992 1.00 0.00 H new ATOM 0 HG11 VAL A 150 4.604 4.159 -0.098 1.00 0.00 H new ATOM 0 HG12 VAL A 150 5.431 5.513 -0.903 1.00 0.00 H new ATOM 0 HG13 VAL A 150 5.371 5.437 0.874 1.00 0.00 H new ATOM 0 HG21 VAL A 150 2.431 4.512 1.023 1.00 0.00 H new ATOM 0 HG22 VAL A 150 3.106 5.806 2.041 1.00 0.00 H new ATOM 0 HG23 VAL A 150 1.675 6.123 1.032 1.00 0.00 H new ATOM 741 N THR A 151 5.686 8.107 -1.396 1.00 0.00 N ATOM 742 CA THR A 151 6.347 8.544 -2.619 1.00 0.00 C ATOM 743 C THR A 151 6.742 7.355 -3.487 1.00 0.00 C ATOM 744 O THR A 151 7.088 6.290 -2.976 1.00 0.00 O ATOM 745 CB THR A 151 7.604 9.381 -2.310 1.00 0.00 C ATOM 746 OG1 THR A 151 8.535 8.602 -1.551 1.00 0.00 O ATOM 747 CG2 THR A 151 7.240 10.640 -1.540 1.00 0.00 C ATOM 0 H THR A 151 6.321 7.903 -0.624 1.00 0.00 H new ATOM 0 HA THR A 151 5.632 9.163 -3.161 1.00 0.00 H new ATOM 0 HB THR A 151 8.061 9.674 -3.255 1.00 0.00 H new ATOM 0 HG1 THR A 151 9.332 9.139 -1.360 1.00 0.00 H new ATOM 0 HG21 THR A 151 8.143 11.214 -1.334 1.00 0.00 H new ATOM 0 HG22 THR A 151 6.554 11.244 -2.134 1.00 0.00 H new ATOM 0 HG23 THR A 151 6.762 10.366 -0.600 1.00 0.00 H new ATOM 755 N ARG A 152 6.689 7.544 -4.801 1.00 0.00 N ATOM 756 CA ARG A 152 7.041 6.486 -5.740 1.00 0.00 C ATOM 757 C ARG A 152 8.162 5.615 -5.182 1.00 0.00 C ATOM 758 O ARG A 152 7.943 4.455 -4.828 1.00 0.00 O ATOM 759 CB ARG A 152 7.468 7.086 -7.081 1.00 0.00 C ATOM 760 CG ARG A 152 7.304 6.133 -8.254 1.00 0.00 C ATOM 761 CD ARG A 152 5.856 6.055 -8.710 1.00 0.00 C ATOM 762 NE ARG A 152 5.712 5.288 -9.945 1.00 0.00 N ATOM 763 CZ ARG A 152 4.572 5.190 -10.621 1.00 0.00 C ATOM 764 NH1 ARG A 152 3.483 5.807 -10.184 1.00 0.00 N ATOM 765 NH2 ARG A 152 4.520 4.474 -11.736 1.00 0.00 N ATOM 0 H ARG A 152 6.406 8.420 -5.240 1.00 0.00 H new ATOM 0 HA ARG A 152 6.160 5.862 -5.892 1.00 0.00 H new ATOM 0 HB2 ARG A 152 6.882 7.986 -7.270 1.00 0.00 H new ATOM 0 HB3 ARG A 152 8.512 7.393 -7.016 1.00 0.00 H new ATOM 0 HG2 ARG A 152 7.930 6.463 -9.083 1.00 0.00 H new ATOM 0 HG3 ARG A 152 7.651 5.140 -7.969 1.00 0.00 H new ATOM 0 HD2 ARG A 152 5.253 5.597 -7.926 1.00 0.00 H new ATOM 0 HD3 ARG A 152 5.469 7.063 -8.862 1.00 0.00 H new ATOM 0 HE ARG A 152 6.531 4.801 -10.308 1.00 0.00 H new ATOM 0 HH11 ARG A 152 3.519 6.359 -9.327 1.00 0.00 H new ATOM 0 HH12 ARG A 152 2.609 5.730 -10.705 1.00 0.00 H new ATOM 0 HH21 ARG A 152 5.356 3.998 -12.076 1.00 0.00 H new ATOM 0 HH22 ARG A 152 3.644 4.400 -12.254 1.00 0.00 H new ATOM 779 N SER A 153 9.362 6.179 -5.104 1.00 0.00 N ATOM 780 CA SER A 153 10.518 5.452 -4.593 1.00 0.00 C ATOM 781 C SER A 153 10.154 4.666 -3.337 1.00 0.00 C ATOM 782 O SER A 153 10.639 3.556 -3.125 1.00 0.00 O ATOM 783 CB SER A 153 11.662 6.421 -4.287 1.00 0.00 C ATOM 784 OG SER A 153 12.915 5.760 -4.328 1.00 0.00 O ATOM 0 H SER A 153 9.560 7.138 -5.388 1.00 0.00 H new ATOM 0 HA SER A 153 10.842 4.749 -5.360 1.00 0.00 H new ATOM 0 HB2 SER A 153 11.654 7.237 -5.009 1.00 0.00 H new ATOM 0 HB3 SER A 153 11.513 6.865 -3.303 1.00 0.00 H new ATOM 0 HG SER A 153 13.630 6.401 -4.131 1.00 0.00 H new ATOM 790 N MET A 154 9.294 5.252 -2.510 1.00 0.00 N ATOM 791 CA MET A 154 8.863 4.605 -1.275 1.00 0.00 C ATOM 792 C MET A 154 7.900 3.460 -1.568 1.00 0.00 C ATOM 793 O MET A 154 7.926 2.428 -0.899 1.00 0.00 O ATOM 794 CB MET A 154 8.196 5.624 -0.348 1.00 0.00 C ATOM 795 CG MET A 154 8.373 5.308 1.128 1.00 0.00 C ATOM 796 SD MET A 154 7.694 3.700 1.582 1.00 0.00 S ATOM 797 CE MET A 154 8.772 3.248 2.939 1.00 0.00 C ATOM 0 H MET A 154 8.883 6.171 -2.672 1.00 0.00 H new ATOM 0 HA MET A 154 9.744 4.196 -0.781 1.00 0.00 H new ATOM 0 HB2 MET A 154 8.608 6.613 -0.552 1.00 0.00 H new ATOM 0 HB3 MET A 154 7.131 5.669 -0.577 1.00 0.00 H new ATOM 0 HG2 MET A 154 9.434 5.333 1.376 1.00 0.00 H new ATOM 0 HG3 MET A 154 7.889 6.083 1.722 1.00 0.00 H new ATOM 0 HE1 MET A 154 8.728 2.170 3.095 1.00 0.00 H new ATOM 0 HE2 MET A 154 9.796 3.539 2.703 1.00 0.00 H new ATOM 0 HE3 MET A 154 8.449 3.759 3.846 1.00 0.00 H new ATOM 807 N GLU A 155 7.050 3.650 -2.574 1.00 0.00 N ATOM 808 CA GLU A 155 6.078 2.631 -2.954 1.00 0.00 C ATOM 809 C GLU A 155 6.738 1.259 -3.052 1.00 0.00 C ATOM 810 O GLU A 155 6.157 0.250 -2.650 1.00 0.00 O ATOM 811 CB GLU A 155 5.426 2.991 -4.290 1.00 0.00 C ATOM 812 CG GLU A 155 4.836 4.392 -4.322 1.00 0.00 C ATOM 813 CD GLU A 155 3.738 4.586 -3.294 1.00 0.00 C ATOM 814 OE1 GLU A 155 3.407 3.609 -2.589 1.00 0.00 O ATOM 815 OE2 GLU A 155 3.211 5.714 -3.195 1.00 0.00 O ATOM 0 H GLU A 155 7.015 4.499 -3.139 1.00 0.00 H new ATOM 0 HA GLU A 155 5.310 2.591 -2.181 1.00 0.00 H new ATOM 0 HB2 GLU A 155 6.168 2.900 -5.083 1.00 0.00 H new ATOM 0 HB3 GLU A 155 4.638 2.269 -4.507 1.00 0.00 H new ATOM 0 HG2 GLU A 155 5.628 5.120 -4.144 1.00 0.00 H new ATOM 0 HG3 GLU A 155 4.437 4.592 -5.316 1.00 0.00 H new ATOM 822 N ASP A 156 7.953 1.230 -3.587 1.00 0.00 N ATOM 823 CA ASP A 156 8.693 -0.018 -3.737 1.00 0.00 C ATOM 824 C ASP A 156 8.829 -0.733 -2.396 1.00 0.00 C ATOM 825 O ASP A 156 8.845 -1.964 -2.336 1.00 0.00 O ATOM 826 CB ASP A 156 10.077 0.253 -4.326 1.00 0.00 C ATOM 827 CG ASP A 156 10.015 0.672 -5.782 1.00 0.00 C ATOM 828 OD1 ASP A 156 9.131 0.169 -6.506 1.00 0.00 O ATOM 829 OD2 ASP A 156 10.851 1.501 -6.198 1.00 0.00 O ATOM 0 H ASP A 156 8.447 2.056 -3.924 1.00 0.00 H new ATOM 0 HA ASP A 156 8.137 -0.662 -4.418 1.00 0.00 H new ATOM 0 HB2 ASP A 156 10.568 1.035 -3.747 1.00 0.00 H new ATOM 0 HB3 ASP A 156 10.689 -0.644 -4.235 1.00 0.00 H new ATOM 834 N PHE A 157 8.926 0.044 -1.323 1.00 0.00 N ATOM 835 CA PHE A 157 9.062 -0.515 0.017 1.00 0.00 C ATOM 836 C PHE A 157 7.694 -0.818 0.622 1.00 0.00 C ATOM 837 O PHE A 157 7.497 -0.696 1.830 1.00 0.00 O ATOM 838 CB PHE A 157 9.830 0.451 0.921 1.00 0.00 C ATOM 839 CG PHE A 157 11.274 0.611 0.539 1.00 0.00 C ATOM 840 CD1 PHE A 157 12.229 -0.276 1.009 1.00 0.00 C ATOM 841 CD2 PHE A 157 11.676 1.645 -0.290 1.00 0.00 C ATOM 842 CE1 PHE A 157 13.559 -0.133 0.660 1.00 0.00 C ATOM 843 CE2 PHE A 157 13.004 1.794 -0.642 1.00 0.00 C ATOM 844 CZ PHE A 157 13.946 0.904 -0.167 1.00 0.00 C ATOM 0 H PHE A 157 8.913 1.063 -1.355 1.00 0.00 H new ATOM 0 HA PHE A 157 9.620 -1.448 -0.061 1.00 0.00 H new ATOM 0 HB2 PHE A 157 9.345 1.427 0.892 1.00 0.00 H new ATOM 0 HB3 PHE A 157 9.772 0.097 1.950 1.00 0.00 H new ATOM 0 HD1 PHE A 157 11.931 -1.088 1.655 1.00 0.00 H new ATOM 0 HD2 PHE A 157 10.943 2.343 -0.666 1.00 0.00 H new ATOM 0 HE1 PHE A 157 14.294 -0.831 1.033 1.00 0.00 H new ATOM 0 HE2 PHE A 157 13.304 2.606 -1.288 1.00 0.00 H new ATOM 0 HZ PHE A 157 14.984 1.018 -0.441 1.00 0.00 H new ATOM 854 N VAL A 158 6.752 -1.212 -0.228 1.00 0.00 N ATOM 855 CA VAL A 158 5.402 -1.532 0.220 1.00 0.00 C ATOM 856 C VAL A 158 5.177 -3.040 0.253 1.00 0.00 C ATOM 857 O VAL A 158 5.301 -3.720 -0.766 1.00 0.00 O ATOM 858 CB VAL A 158 4.340 -0.885 -0.687 1.00 0.00 C ATOM 859 CG1 VAL A 158 2.963 -1.461 -0.393 1.00 0.00 C ATOM 860 CG2 VAL A 158 4.342 0.626 -0.516 1.00 0.00 C ATOM 0 H VAL A 158 6.899 -1.317 -1.232 1.00 0.00 H new ATOM 0 HA VAL A 158 5.300 -1.130 1.228 1.00 0.00 H new ATOM 0 HB VAL A 158 4.588 -1.111 -1.724 1.00 0.00 H new ATOM 0 HG11 VAL A 158 2.226 -0.991 -1.044 1.00 0.00 H new ATOM 0 HG12 VAL A 158 2.973 -2.536 -0.572 1.00 0.00 H new ATOM 0 HG13 VAL A 158 2.703 -1.269 0.648 1.00 0.00 H new ATOM 0 HG21 VAL A 158 3.585 1.067 -1.165 1.00 0.00 H new ATOM 0 HG22 VAL A 158 4.120 0.875 0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 158 5.322 1.021 -0.782 1.00 0.00 H new ATOM 870 N THR A 159 4.845 -3.558 1.432 1.00 0.00 N ATOM 871 CA THR A 159 4.603 -4.986 1.598 1.00 0.00 C ATOM 872 C THR A 159 3.451 -5.239 2.564 1.00 0.00 C ATOM 873 O THR A 159 3.119 -4.385 3.386 1.00 0.00 O ATOM 874 CB THR A 159 5.859 -5.713 2.113 1.00 0.00 C ATOM 875 OG1 THR A 159 5.590 -7.111 2.264 1.00 0.00 O ATOM 876 CG2 THR A 159 6.313 -5.132 3.445 1.00 0.00 C ATOM 0 H THR A 159 4.738 -3.010 2.285 1.00 0.00 H new ATOM 0 HA THR A 159 4.343 -5.379 0.615 1.00 0.00 H new ATOM 0 HB THR A 159 6.656 -5.574 1.383 1.00 0.00 H new ATOM 0 HG1 THR A 159 6.395 -7.566 2.590 1.00 0.00 H new ATOM 0 HG21 THR A 159 7.202 -5.661 3.789 1.00 0.00 H new ATOM 0 HG22 THR A 159 6.546 -4.075 3.320 1.00 0.00 H new ATOM 0 HG23 THR A 159 5.517 -5.243 4.181 1.00 0.00 H new ATOM 884 N TRP A 160 2.846 -6.417 2.460 1.00 0.00 N ATOM 885 CA TRP A 160 1.731 -6.783 3.326 1.00 0.00 C ATOM 886 C TRP A 160 2.233 -7.336 4.655 1.00 0.00 C ATOM 887 O TRP A 160 3.290 -7.963 4.718 1.00 0.00 O ATOM 888 CB TRP A 160 0.838 -7.814 2.634 1.00 0.00 C ATOM 889 CG TRP A 160 0.115 -7.268 1.440 1.00 0.00 C ATOM 890 CD1 TRP A 160 0.584 -7.199 0.159 1.00 0.00 C ATOM 891 CD2 TRP A 160 -1.204 -6.714 1.416 1.00 0.00 C ATOM 892 NE1 TRP A 160 -0.365 -6.635 -0.660 1.00 0.00 N ATOM 893 CE2 TRP A 160 -1.471 -6.329 0.088 1.00 0.00 C ATOM 894 CE3 TRP A 160 -2.187 -6.505 2.388 1.00 0.00 C ATOM 895 CZ2 TRP A 160 -2.679 -5.749 -0.290 1.00 0.00 C ATOM 896 CZ3 TRP A 160 -3.385 -5.929 2.011 1.00 0.00 C ATOM 897 CH2 TRP A 160 -3.623 -5.557 0.682 1.00 0.00 C ATOM 0 H TRP A 160 3.109 -7.135 1.785 1.00 0.00 H new ATOM 0 HA TRP A 160 1.148 -5.884 3.526 1.00 0.00 H new ATOM 0 HB2 TRP A 160 1.448 -8.662 2.324 1.00 0.00 H new ATOM 0 HB3 TRP A 160 0.108 -8.191 3.350 1.00 0.00 H new ATOM 0 HD1 TRP A 160 1.558 -7.538 -0.163 1.00 0.00 H new ATOM 0 HE1 TRP A 160 -0.262 -6.471 -1.661 1.00 0.00 H new ATOM 0 HE3 TRP A 160 -2.013 -6.789 3.415 1.00 0.00 H new ATOM 0 HZ2 TRP A 160 -2.864 -5.461 -1.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 160 -4.151 -5.763 2.754 1.00 0.00 H new ATOM 0 HH2 TRP A 160 -4.570 -5.110 0.419 1.00 0.00 H new ATOM 908 N VAL A 161 1.468 -7.100 5.716 1.00 0.00 N ATOM 909 CA VAL A 161 1.835 -7.577 7.044 1.00 0.00 C ATOM 910 C VAL A 161 1.894 -9.099 7.084 1.00 0.00 C ATOM 911 O VAL A 161 2.922 -9.682 7.434 1.00 0.00 O ATOM 912 CB VAL A 161 0.839 -7.086 8.111 1.00 0.00 C ATOM 913 CG1 VAL A 161 1.240 -7.592 9.489 1.00 0.00 C ATOM 914 CG2 VAL A 161 0.750 -5.567 8.096 1.00 0.00 C ATOM 0 H VAL A 161 0.590 -6.581 5.682 1.00 0.00 H new ATOM 0 HA VAL A 161 2.823 -7.172 7.264 1.00 0.00 H new ATOM 0 HB VAL A 161 -0.147 -7.487 7.876 1.00 0.00 H new ATOM 0 HG11 VAL A 161 0.525 -7.235 10.230 1.00 0.00 H new ATOM 0 HG12 VAL A 161 1.248 -8.682 9.488 1.00 0.00 H new ATOM 0 HG13 VAL A 161 2.235 -7.222 9.737 1.00 0.00 H new ATOM 0 HG21 VAL A 161 0.042 -5.236 8.856 1.00 0.00 H new ATOM 0 HG22 VAL A 161 1.732 -5.143 8.306 1.00 0.00 H new ATOM 0 HG23 VAL A 161 0.412 -5.232 7.115 1.00 0.00 H new