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 Set 1.1: A 123 HIS : no HD1:sc= -1.66 K(o=-1.7,f=-3.7) USER MOD Set 1.2: A 125 GLN : amide:sc= -0.0138 K(o=-1.7,f=-3!) 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 -159:sc= -1.71 (180deg=-2.86!) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 133 GLN :FLIP amide:sc= -0.73 F(o=-2.4!,f=-0.73) USER MOD Single : A 135 HIS :FLIP no HD1:sc= -0.214 F(o=-0.78,f=-0.21) USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD Single : A 151 THR OG1 : rot 180:sc= -0.0943 USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 154 MET CE :methyl -141:sc= -1.18 (180deg=-2.23) USER MOD Single : A 159 THR OG1 : rot 180:sc= -0.107 USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 109 1.140 10.165 -2.436 1.00 0.00 N ATOM 67 CA ARG A 109 -0.257 9.800 -2.636 1.00 0.00 C ATOM 68 C ARG A 109 -0.734 8.852 -1.539 1.00 0.00 C ATOM 69 O ARG A 109 0.070 8.188 -0.886 1.00 0.00 O ATOM 70 CB ARG A 109 -0.443 9.146 -4.007 1.00 0.00 C ATOM 71 CG ARG A 109 0.058 9.997 -5.161 1.00 0.00 C ATOM 72 CD ARG A 109 0.227 9.174 -6.429 1.00 0.00 C ATOM 73 NE ARG A 109 -1.010 9.100 -7.203 1.00 0.00 N ATOM 74 CZ ARG A 109 -1.526 10.131 -7.862 1.00 0.00 C ATOM 75 NH1 ARG A 109 -0.916 11.308 -7.843 1.00 0.00 N ATOM 76 NH2 ARG A 109 -2.655 9.985 -8.544 1.00 0.00 N ATOM 0 HA ARG A 109 -0.855 10.710 -2.590 1.00 0.00 H new ATOM 0 HB2 ARG A 109 0.080 8.190 -4.018 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -1.501 8.932 -4.157 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -0.643 10.811 -5.345 1.00 0.00 H new ATOM 0 HG3 ARG A 109 1.011 10.452 -4.892 1.00 0.00 H new ATOM 0 HD2 ARG A 109 1.013 9.612 -7.043 1.00 0.00 H new ATOM 0 HD3 ARG A 109 0.551 8.167 -6.167 1.00 0.00 H new ATOM 0 HE ARG A 109 -1.504 8.208 -7.239 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -0.047 11.424 -7.321 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -1.315 12.098 -8.350 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -3.127 9.081 -8.562 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -3.051 10.777 -9.050 1.00 0.00 H new ATOM 90 N ARG A 110 -2.047 8.796 -1.343 1.00 0.00 N ATOM 91 CA ARG A 110 -2.631 7.931 -0.325 1.00 0.00 C ATOM 92 C ARG A 110 -2.298 6.467 -0.598 1.00 0.00 C ATOM 93 O ARG A 110 -2.231 6.039 -1.750 1.00 0.00 O ATOM 94 CB ARG A 110 -4.149 8.119 -0.275 1.00 0.00 C ATOM 95 CG ARG A 110 -4.597 9.539 -0.575 1.00 0.00 C ATOM 96 CD ARG A 110 -5.939 9.849 0.070 1.00 0.00 C ATOM 97 NE ARG A 110 -7.057 9.525 -0.811 1.00 0.00 N ATOM 98 CZ ARG A 110 -8.330 9.587 -0.435 1.00 0.00 C ATOM 99 NH1 ARG A 110 -8.644 9.960 0.799 1.00 0.00 N ATOM 100 NH2 ARG A 110 -9.293 9.278 -1.294 1.00 0.00 N ATOM 0 H ARG A 110 -2.727 9.339 -1.876 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.205 8.209 0.639 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -4.614 7.441 -0.991 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -4.509 7.835 0.714 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -3.847 10.242 -0.213 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -4.670 9.678 -1.654 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -6.034 9.286 0.998 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -5.979 10.906 0.333 1.00 0.00 H new ATOM 0 HE ARG A 110 -6.850 9.235 -1.767 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -7.907 10.200 1.462 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -9.622 10.007 1.084 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -9.056 8.992 -2.244 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -10.270 9.326 -1.004 1.00 0.00 H new ATOM 114 N LEU A 111 -2.087 5.705 0.470 1.00 0.00 N ATOM 115 CA LEU A 111 -1.760 4.289 0.347 1.00 0.00 C ATOM 116 C LEU A 111 -2.840 3.545 -0.431 1.00 0.00 C ATOM 117 O LEU A 111 -2.559 2.696 -1.277 1.00 0.00 O ATOM 118 CB LEU A 111 -1.590 3.662 1.731 1.00 0.00 C ATOM 119 CG LEU A 111 -0.785 2.363 1.785 1.00 0.00 C ATOM 120 CD1 LEU A 111 0.652 2.605 1.349 1.00 0.00 C ATOM 121 CD2 LEU A 111 -0.825 1.769 3.186 1.00 0.00 C ATOM 0 H LEU A 111 -2.137 6.044 1.431 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.821 4.206 -0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.108 4.392 2.382 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -2.580 3.470 2.145 1.00 0.00 H new ATOM 0 HG LEU A 111 -1.237 1.650 1.095 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.209 1.669 1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.663 2.985 0.327 1.00 0.00 H new ATOM 0 HD13 LEU A 111 1.116 3.335 2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -0.247 0.845 3.206 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -0.399 2.479 3.895 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -1.858 1.557 3.462 1.00 0.00 H new ATOM 133 N PRO A 112 -4.109 3.873 -0.142 1.00 0.00 N ATOM 134 CA PRO A 112 -5.259 3.250 -0.805 1.00 0.00 C ATOM 135 C PRO A 112 -5.167 3.335 -2.325 1.00 0.00 C ATOM 136 O PRO A 112 -5.459 2.369 -3.030 1.00 0.00 O ATOM 137 CB PRO A 112 -6.448 4.067 -0.294 1.00 0.00 C ATOM 138 CG PRO A 112 -5.998 4.612 1.018 1.00 0.00 C ATOM 139 CD PRO A 112 -4.518 4.877 0.854 1.00 0.00 C ATOM 0 HA PRO A 112 -5.330 2.185 -0.584 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -6.706 4.867 -0.988 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -7.336 3.445 -0.181 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -6.536 5.526 1.269 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -6.183 3.901 1.823 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -4.326 5.892 0.506 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -3.980 4.755 1.794 1.00 0.00 H new ATOM 147 N THR A 113 -4.760 4.498 -2.824 1.00 0.00 N ATOM 148 CA THR A 113 -4.631 4.709 -4.261 1.00 0.00 C ATOM 149 C THR A 113 -3.470 3.905 -4.833 1.00 0.00 C ATOM 150 O THR A 113 -3.595 3.278 -5.885 1.00 0.00 O ATOM 151 CB THR A 113 -4.420 6.199 -4.592 1.00 0.00 C ATOM 152 OG1 THR A 113 -5.559 6.960 -4.174 1.00 0.00 O ATOM 153 CG2 THR A 113 -4.193 6.395 -6.084 1.00 0.00 C ATOM 0 H THR A 113 -4.514 5.308 -2.255 1.00 0.00 H new ATOM 0 HA THR A 113 -5.562 4.370 -4.715 1.00 0.00 H new ATOM 0 HB THR A 113 -3.536 6.546 -4.057 1.00 0.00 H new ATOM 0 HG1 THR A 113 -5.416 7.906 -4.386 1.00 0.00 H new ATOM 0 HG21 THR A 113 -4.047 7.455 -6.294 1.00 0.00 H new ATOM 0 HG22 THR A 113 -3.309 5.838 -6.394 1.00 0.00 H new ATOM 0 HG23 THR A 113 -5.061 6.033 -6.635 1.00 0.00 H new ATOM 161 N VAL A 114 -2.340 3.925 -4.134 1.00 0.00 N ATOM 162 CA VAL A 114 -1.156 3.195 -4.571 1.00 0.00 C ATOM 163 C VAL A 114 -1.414 1.692 -4.588 1.00 0.00 C ATOM 164 O VAL A 114 -0.914 0.975 -5.457 1.00 0.00 O ATOM 165 CB VAL A 114 0.052 3.488 -3.663 1.00 0.00 C ATOM 166 CG1 VAL A 114 1.279 2.727 -4.144 1.00 0.00 C ATOM 167 CG2 VAL A 114 0.328 4.983 -3.611 1.00 0.00 C ATOM 0 H VAL A 114 -2.219 4.439 -3.262 1.00 0.00 H new ATOM 0 HA VAL A 114 -0.930 3.534 -5.582 1.00 0.00 H new ATOM 0 HB VAL A 114 -0.183 3.150 -2.654 1.00 0.00 H new ATOM 0 HG11 VAL A 114 2.123 2.947 -3.490 1.00 0.00 H new ATOM 0 HG12 VAL A 114 1.074 1.657 -4.125 1.00 0.00 H new ATOM 0 HG13 VAL A 114 1.520 3.032 -5.162 1.00 0.00 H new ATOM 0 HG21 VAL A 114 1.185 5.173 -2.965 1.00 0.00 H new ATOM 0 HG22 VAL A 114 0.543 5.348 -4.615 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -0.546 5.501 -3.216 1.00 0.00 H new ATOM 177 N LEU A 115 -2.195 1.220 -3.623 1.00 0.00 N ATOM 178 CA LEU A 115 -2.519 -0.199 -3.526 1.00 0.00 C ATOM 179 C LEU A 115 -3.397 -0.638 -4.694 1.00 0.00 C ATOM 180 O LEU A 115 -3.163 -1.683 -5.303 1.00 0.00 O ATOM 181 CB LEU A 115 -3.228 -0.491 -2.202 1.00 0.00 C ATOM 182 CG LEU A 115 -2.322 -0.789 -1.007 1.00 0.00 C ATOM 183 CD1 LEU A 115 -3.073 -0.575 0.298 1.00 0.00 C ATOM 184 CD2 LEU A 115 -1.783 -2.210 -1.088 1.00 0.00 C ATOM 0 H LEU A 115 -2.616 1.799 -2.896 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.587 -0.763 -3.564 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -3.855 0.365 -1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -3.893 -1.342 -2.349 1.00 0.00 H new ATOM 0 HG LEU A 115 -1.478 -0.100 -1.034 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -2.413 -0.792 1.138 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -3.409 0.460 0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -3.936 -1.240 0.334 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.140 -2.405 -0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -2.614 -2.915 -1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -1.208 -2.329 -2.006 1.00 0.00 H new ATOM 196 N LEU A 116 -4.408 0.167 -5.003 1.00 0.00 N ATOM 197 CA LEU A 116 -5.320 -0.137 -6.100 1.00 0.00 C ATOM 198 C LEU A 116 -4.585 -0.134 -7.436 1.00 0.00 C ATOM 199 O LEU A 116 -4.898 -0.919 -8.331 1.00 0.00 O ATOM 200 CB LEU A 116 -6.464 0.877 -6.132 1.00 0.00 C ATOM 201 CG LEU A 116 -7.474 0.786 -4.988 1.00 0.00 C ATOM 202 CD1 LEU A 116 -8.372 2.014 -4.969 1.00 0.00 C ATOM 203 CD2 LEU A 116 -8.306 -0.482 -5.109 1.00 0.00 C ATOM 0 H LEU A 116 -4.617 1.035 -4.509 1.00 0.00 H new ATOM 0 HA LEU A 116 -5.730 -1.133 -5.935 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -6.035 1.879 -6.132 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -7.000 0.760 -7.074 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.924 0.748 -4.047 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -9.084 1.931 -4.148 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -7.763 2.908 -4.833 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -8.913 2.084 -5.913 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -9.019 -0.529 -4.286 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -8.845 -0.474 -6.056 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -7.651 -1.352 -5.071 1.00 0.00 H new ATOM 215 N LYS A 117 -3.604 0.753 -7.564 1.00 0.00 N ATOM 216 CA LYS A 117 -2.820 0.857 -8.789 1.00 0.00 C ATOM 217 C LYS A 117 -1.808 -0.279 -8.886 1.00 0.00 C ATOM 218 O LYS A 117 -1.565 -0.818 -9.967 1.00 0.00 O ATOM 219 CB LYS A 117 -2.097 2.205 -8.844 1.00 0.00 C ATOM 220 CG LYS A 117 -1.067 2.298 -9.957 1.00 0.00 C ATOM 221 CD LYS A 117 0.303 1.834 -9.489 1.00 0.00 C ATOM 222 CE LYS A 117 1.367 2.088 -10.544 1.00 0.00 C ATOM 223 NZ LYS A 117 1.325 1.070 -11.630 1.00 0.00 N ATOM 0 H LYS A 117 -3.333 1.411 -6.833 1.00 0.00 H new ATOM 0 HA LYS A 117 -3.504 0.784 -9.635 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -2.834 2.998 -8.975 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -1.604 2.383 -7.888 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -1.388 1.691 -10.803 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -1.003 3.327 -10.310 1.00 0.00 H new ATOM 0 HD2 LYS A 117 0.570 2.354 -8.569 1.00 0.00 H new ATOM 0 HD3 LYS A 117 0.268 0.770 -9.255 1.00 0.00 H new ATOM 0 HE2 LYS A 117 1.225 3.081 -10.971 1.00 0.00 H new ATOM 0 HE3 LYS A 117 2.352 2.080 -10.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 2.066 1.278 -12.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 1.485 0.125 -11.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 0.394 1.095 -12.093 1.00 0.00 H new ATOM 237 N LEU A 118 -1.221 -0.641 -7.750 1.00 0.00 N ATOM 238 CA LEU A 118 -0.235 -1.716 -7.706 1.00 0.00 C ATOM 239 C LEU A 118 -0.918 -3.080 -7.711 1.00 0.00 C ATOM 240 O LEU A 118 -0.281 -4.104 -7.461 1.00 0.00 O ATOM 241 CB LEU A 118 0.645 -1.577 -6.462 1.00 0.00 C ATOM 242 CG LEU A 118 1.598 -0.382 -6.446 1.00 0.00 C ATOM 243 CD1 LEU A 118 2.262 -0.249 -5.084 1.00 0.00 C ATOM 244 CD2 LEU A 118 2.645 -0.520 -7.541 1.00 0.00 C ATOM 0 H LEU A 118 -1.411 -0.206 -6.847 1.00 0.00 H new ATOM 0 HA LEU A 118 0.390 -1.640 -8.595 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -0.003 -1.511 -5.588 1.00 0.00 H new ATOM 0 HB3 LEU A 118 1.234 -2.488 -6.354 1.00 0.00 H new ATOM 0 HG LEU A 118 1.020 0.523 -6.636 1.00 0.00 H new ATOM 0 HD11 LEU A 118 2.937 0.607 -5.090 1.00 0.00 H new ATOM 0 HD12 LEU A 118 1.499 -0.103 -4.320 1.00 0.00 H new ATOM 0 HD13 LEU A 118 2.827 -1.155 -4.865 1.00 0.00 H new ATOM 0 HD21 LEU A 118 3.315 0.340 -7.515 1.00 0.00 H new ATOM 0 HD22 LEU A 118 3.220 -1.433 -7.382 1.00 0.00 H new ATOM 0 HD23 LEU A 118 2.152 -0.566 -8.512 1.00 0.00 H new ATOM 256 N ARG A 119 -2.215 -3.086 -7.999 1.00 0.00 N ATOM 257 CA ARG A 119 -2.982 -4.325 -8.037 1.00 0.00 C ATOM 258 C ARG A 119 -2.890 -5.064 -6.706 1.00 0.00 C ATOM 259 O ARG A 119 -2.999 -6.289 -6.655 1.00 0.00 O ATOM 260 CB ARG A 119 -2.482 -5.226 -9.169 1.00 0.00 C ATOM 261 CG ARG A 119 -2.648 -4.616 -10.551 1.00 0.00 C ATOM 262 CD ARG A 119 -4.027 -4.902 -11.125 1.00 0.00 C ATOM 263 NE ARG A 119 -4.231 -4.246 -12.412 1.00 0.00 N ATOM 264 CZ ARG A 119 -3.708 -4.683 -13.552 1.00 0.00 C ATOM 265 NH1 ARG A 119 -2.954 -5.774 -13.563 1.00 0.00 N ATOM 266 NH2 ARG A 119 -3.940 -4.031 -14.684 1.00 0.00 N ATOM 0 H ARG A 119 -2.756 -2.248 -8.209 1.00 0.00 H new ATOM 0 HA ARG A 119 -4.026 -4.070 -8.219 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -1.428 -5.451 -9.005 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -3.020 -6.173 -9.132 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -2.492 -3.539 -10.495 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -1.885 -5.014 -11.220 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -4.155 -5.978 -11.243 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -4.789 -4.566 -10.422 1.00 0.00 H new ATOM 0 HE ARG A 119 -4.807 -3.405 -12.438 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -2.775 -6.279 -12.695 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -2.553 -6.108 -14.439 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -4.521 -3.193 -14.680 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -3.537 -4.368 -15.558 1.00 0.00 H new ATOM 280 N MET A 120 -2.687 -4.311 -5.630 1.00 0.00 N ATOM 281 CA MET A 120 -2.580 -4.895 -4.298 1.00 0.00 C ATOM 282 C MET A 120 -3.961 -5.105 -3.684 1.00 0.00 C ATOM 283 O MET A 120 -4.154 -5.997 -2.859 1.00 0.00 O ATOM 284 CB MET A 120 -1.737 -3.996 -3.390 1.00 0.00 C ATOM 285 CG MET A 120 -0.291 -3.865 -3.841 1.00 0.00 C ATOM 286 SD MET A 120 0.778 -5.127 -3.121 1.00 0.00 S ATOM 287 CE MET A 120 1.121 -4.405 -1.518 1.00 0.00 C ATOM 0 H MET A 120 -2.593 -3.296 -5.654 1.00 0.00 H new ATOM 0 HA MET A 120 -2.092 -5.865 -4.392 1.00 0.00 H new ATOM 0 HB2 MET A 120 -2.189 -3.005 -3.352 1.00 0.00 H new ATOM 0 HB3 MET A 120 -1.758 -4.395 -2.376 1.00 0.00 H new ATOM 0 HG2 MET A 120 -0.246 -3.933 -4.928 1.00 0.00 H new ATOM 0 HG3 MET A 120 0.083 -2.878 -3.568 1.00 0.00 H new ATOM 0 HE1 MET A 120 2.029 -4.846 -1.107 1.00 0.00 H new ATOM 0 HE2 MET A 120 1.256 -3.329 -1.625 1.00 0.00 H new ATOM 0 HE3 MET A 120 0.286 -4.601 -0.845 1.00 0.00 H new ATOM 297 N ALA A 121 -4.917 -4.277 -4.092 1.00 0.00 N ATOM 298 CA ALA A 121 -6.280 -4.373 -3.583 1.00 0.00 C ATOM 299 C ALA A 121 -7.286 -4.479 -4.725 1.00 0.00 C ATOM 300 O ALA A 121 -6.910 -4.478 -5.896 1.00 0.00 O ATOM 301 CB ALA A 121 -6.602 -3.174 -2.703 1.00 0.00 C ATOM 0 H ALA A 121 -4.773 -3.532 -4.774 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.354 -5.280 -2.983 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -7.623 -3.260 -2.330 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -5.910 -3.144 -1.861 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -6.504 -2.258 -3.286 1.00 0.00 H new ATOM 307 N GLN A 122 -8.565 -4.572 -4.373 1.00 0.00 N ATOM 308 CA GLN A 122 -9.624 -4.681 -5.370 1.00 0.00 C ATOM 309 C GLN A 122 -10.182 -3.306 -5.721 1.00 0.00 C ATOM 310 O GLN A 122 -9.999 -2.816 -6.837 1.00 0.00 O ATOM 311 CB GLN A 122 -10.746 -5.583 -4.855 1.00 0.00 C ATOM 312 CG GLN A 122 -10.349 -7.047 -4.751 1.00 0.00 C ATOM 313 CD GLN A 122 -11.333 -7.862 -3.934 1.00 0.00 C ATOM 314 OE1 GLN A 122 -11.698 -7.482 -2.821 1.00 0.00 O ATOM 315 NE2 GLN A 122 -11.769 -8.990 -4.484 1.00 0.00 N ATOM 0 H GLN A 122 -8.892 -4.574 -3.407 1.00 0.00 H new ATOM 0 HA GLN A 122 -9.198 -5.122 -6.271 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -11.063 -5.230 -3.874 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -11.606 -5.494 -5.519 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -10.275 -7.471 -5.752 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -9.360 -7.120 -4.300 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -11.440 -9.267 -5.409 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -12.433 -9.579 -3.981 1.00 0.00 H new ATOM 324 N HIS A 123 -10.866 -2.686 -4.764 1.00 0.00 N ATOM 325 CA HIS A 123 -11.451 -1.368 -4.973 1.00 0.00 C ATOM 326 C HIS A 123 -11.014 -0.399 -3.880 1.00 0.00 C ATOM 327 O HIS A 123 -10.347 -0.790 -2.920 1.00 0.00 O ATOM 328 CB HIS A 123 -12.978 -1.463 -5.006 1.00 0.00 C ATOM 329 CG HIS A 123 -13.538 -2.437 -4.016 1.00 0.00 C ATOM 330 ND1 HIS A 123 -14.114 -2.050 -2.824 1.00 0.00 N ATOM 331 CD2 HIS A 123 -13.609 -3.788 -4.046 1.00 0.00 C ATOM 332 CE1 HIS A 123 -14.515 -3.122 -2.163 1.00 0.00 C ATOM 333 NE2 HIS A 123 -14.221 -4.190 -2.884 1.00 0.00 N ATOM 0 H HIS A 123 -11.028 -3.077 -3.836 1.00 0.00 H new ATOM 0 HA HIS A 123 -11.097 -0.989 -5.932 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -13.400 -0.477 -4.812 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -13.294 -1.753 -6.008 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -13.251 -4.431 -4.837 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -15.000 -3.125 -1.198 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -14.417 -5.156 -2.620 1.00 0.00 H new ATOM 341 N LEU A 124 -11.393 0.866 -4.028 1.00 0.00 N ATOM 342 CA LEU A 124 -11.039 1.891 -3.054 1.00 0.00 C ATOM 343 C LEU A 124 -11.452 1.470 -1.647 1.00 0.00 C ATOM 344 O LEU A 124 -10.694 1.636 -0.691 1.00 0.00 O ATOM 345 CB LEU A 124 -11.705 3.219 -3.416 1.00 0.00 C ATOM 346 CG LEU A 124 -11.551 4.348 -2.396 1.00 0.00 C ATOM 347 CD1 LEU A 124 -10.092 4.756 -2.266 1.00 0.00 C ATOM 348 CD2 LEU A 124 -12.409 5.542 -2.789 1.00 0.00 C ATOM 0 H LEU A 124 -11.946 1.206 -4.815 1.00 0.00 H new ATOM 0 HA LEU A 124 -9.957 2.017 -3.074 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -11.298 3.559 -4.368 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -12.769 3.039 -3.570 1.00 0.00 H new ATOM 0 HG LEU A 124 -11.892 3.985 -1.426 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -10.003 5.560 -1.536 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -9.503 3.900 -1.937 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -9.723 5.100 -3.232 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -12.287 6.336 -2.052 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -12.099 5.906 -3.769 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -13.456 5.241 -2.828 1.00 0.00 H new ATOM 360 N GLN A 125 -12.657 0.922 -1.529 1.00 0.00 N ATOM 361 CA GLN A 125 -13.169 0.476 -0.239 1.00 0.00 C ATOM 362 C GLN A 125 -12.331 -0.673 0.312 1.00 0.00 C ATOM 363 O GLN A 125 -12.067 -0.741 1.512 1.00 0.00 O ATOM 364 CB GLN A 125 -14.631 0.040 -0.369 1.00 0.00 C ATOM 365 CG GLN A 125 -15.436 0.221 0.907 1.00 0.00 C ATOM 366 CD GLN A 125 -16.768 -0.501 0.864 1.00 0.00 C ATOM 367 OE1 GLN A 125 -16.898 -1.553 0.239 1.00 0.00 O ATOM 368 NE2 GLN A 125 -17.769 0.064 1.530 1.00 0.00 N ATOM 0 H GLN A 125 -13.296 0.776 -2.310 1.00 0.00 H new ATOM 0 HA GLN A 125 -13.107 1.313 0.457 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -15.102 0.611 -1.170 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -14.664 -1.009 -0.664 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -14.855 -0.146 1.753 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -15.609 1.284 1.076 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -17.617 0.937 2.035 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -18.690 -0.375 1.536 1.00 0.00 H new ATOM 377 N ALA A 126 -11.916 -1.573 -0.573 1.00 0.00 N ATOM 378 CA ALA A 126 -11.106 -2.718 -0.175 1.00 0.00 C ATOM 379 C ALA A 126 -9.729 -2.275 0.304 1.00 0.00 C ATOM 380 O ALA A 126 -9.253 -2.717 1.350 1.00 0.00 O ATOM 381 CB ALA A 126 -10.976 -3.699 -1.331 1.00 0.00 C ATOM 0 H ALA A 126 -12.127 -1.532 -1.570 1.00 0.00 H new ATOM 0 HA ALA A 126 -11.607 -3.216 0.655 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -10.369 -4.549 -1.020 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -11.966 -4.048 -1.625 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -10.500 -3.203 -2.177 1.00 0.00 H new ATOM 387 N ALA A 127 -9.091 -1.402 -0.468 1.00 0.00 N ATOM 388 CA ALA A 127 -7.767 -0.900 -0.122 1.00 0.00 C ATOM 389 C ALA A 127 -7.798 -0.136 1.198 1.00 0.00 C ATOM 390 O ALA A 127 -6.912 -0.293 2.039 1.00 0.00 O ATOM 391 CB ALA A 127 -7.232 -0.011 -1.235 1.00 0.00 C ATOM 0 H ALA A 127 -9.470 -1.027 -1.338 1.00 0.00 H new ATOM 0 HA ALA A 127 -7.101 -1.755 -0.003 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -6.243 0.357 -0.963 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -7.164 -0.586 -2.159 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -7.905 0.834 -1.382 1.00 0.00 H new ATOM 397 N VAL A 128 -8.823 0.692 1.374 1.00 0.00 N ATOM 398 CA VAL A 128 -8.969 1.479 2.593 1.00 0.00 C ATOM 399 C VAL A 128 -9.170 0.580 3.808 1.00 0.00 C ATOM 400 O VAL A 128 -8.543 0.775 4.847 1.00 0.00 O ATOM 401 CB VAL A 128 -10.156 2.456 2.490 1.00 0.00 C ATOM 402 CG1 VAL A 128 -10.301 3.257 3.776 1.00 0.00 C ATOM 403 CG2 VAL A 128 -9.982 3.380 1.294 1.00 0.00 C ATOM 0 H VAL A 128 -9.564 0.835 0.688 1.00 0.00 H new ATOM 0 HA VAL A 128 -8.047 2.048 2.715 1.00 0.00 H new ATOM 0 HB VAL A 128 -11.069 1.878 2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -11.144 3.942 3.685 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -10.474 2.577 4.610 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -9.389 3.826 3.955 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -10.829 4.064 1.236 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -9.061 3.952 1.407 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -9.931 2.787 0.381 1.00 0.00 H new ATOM 413 N ALA A 129 -10.050 -0.407 3.668 1.00 0.00 N ATOM 414 CA ALA A 129 -10.331 -1.338 4.753 1.00 0.00 C ATOM 415 C ALA A 129 -9.076 -2.104 5.159 1.00 0.00 C ATOM 416 O ALA A 129 -8.836 -2.337 6.344 1.00 0.00 O ATOM 417 CB ALA A 129 -11.433 -2.306 4.345 1.00 0.00 C ATOM 0 H ALA A 129 -10.580 -0.582 2.814 1.00 0.00 H new ATOM 0 HA ALA A 129 -10.668 -0.762 5.615 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -11.633 -2.996 5.165 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -12.340 -1.748 4.111 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -11.117 -2.868 3.466 1.00 0.00 H new ATOM 423 N PHE A 130 -8.279 -2.491 4.169 1.00 0.00 N ATOM 424 CA PHE A 130 -7.048 -3.232 4.425 1.00 0.00 C ATOM 425 C PHE A 130 -6.053 -2.379 5.206 1.00 0.00 C ATOM 426 O PHE A 130 -5.362 -2.872 6.099 1.00 0.00 O ATOM 427 CB PHE A 130 -6.421 -3.689 3.107 1.00 0.00 C ATOM 428 CG PHE A 130 -7.123 -4.862 2.485 1.00 0.00 C ATOM 429 CD1 PHE A 130 -7.461 -5.969 3.246 1.00 0.00 C ATOM 430 CD2 PHE A 130 -7.445 -4.858 1.136 1.00 0.00 C ATOM 431 CE1 PHE A 130 -8.107 -7.050 2.677 1.00 0.00 C ATOM 432 CE2 PHE A 130 -8.092 -5.936 0.562 1.00 0.00 C ATOM 433 CZ PHE A 130 -8.422 -7.033 1.332 1.00 0.00 C ATOM 0 H PHE A 130 -8.462 -2.305 3.183 1.00 0.00 H new ATOM 0 HA PHE A 130 -7.297 -4.108 5.024 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -6.427 -2.857 2.403 1.00 0.00 H new ATOM 0 HB3 PHE A 130 -5.377 -3.951 3.282 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -7.216 -5.987 4.298 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -7.187 -4.004 0.528 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -8.365 -7.906 3.282 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -8.339 -5.920 -0.489 1.00 0.00 H new ATOM 0 HZ PHE A 130 -8.926 -7.877 0.884 1.00 0.00 H new ATOM 443 N VAL A 131 -5.984 -1.097 4.863 1.00 0.00 N ATOM 444 CA VAL A 131 -5.074 -0.174 5.531 1.00 0.00 C ATOM 445 C VAL A 131 -5.420 -0.034 7.009 1.00 0.00 C ATOM 446 O VAL A 131 -4.560 -0.185 7.876 1.00 0.00 O ATOM 447 CB VAL A 131 -5.103 1.218 4.874 1.00 0.00 C ATOM 448 CG1 VAL A 131 -4.107 2.148 5.549 1.00 0.00 C ATOM 449 CG2 VAL A 131 -4.818 1.110 3.384 1.00 0.00 C ATOM 0 H VAL A 131 -6.548 -0.674 4.126 1.00 0.00 H new ATOM 0 HA VAL A 131 -4.072 -0.592 5.433 1.00 0.00 H new ATOM 0 HB VAL A 131 -6.100 1.639 5.000 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -4.142 3.127 5.071 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -4.362 2.250 6.604 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -3.103 1.735 5.456 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -4.843 2.103 2.936 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -3.833 0.668 3.233 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -5.574 0.481 2.914 1.00 0.00 H new ATOM 459 N GLU A 132 -6.688 0.254 7.290 1.00 0.00 N ATOM 460 CA GLU A 132 -7.148 0.414 8.664 1.00 0.00 C ATOM 461 C GLU A 132 -7.125 -0.919 9.405 1.00 0.00 C ATOM 462 O GLU A 132 -6.928 -0.962 10.619 1.00 0.00 O ATOM 463 CB GLU A 132 -8.561 0.999 8.687 1.00 0.00 C ATOM 464 CG GLU A 132 -8.677 2.343 7.988 1.00 0.00 C ATOM 465 CD GLU A 132 -9.828 3.178 8.515 1.00 0.00 C ATOM 466 OE1 GLU A 132 -10.993 2.796 8.278 1.00 0.00 O ATOM 467 OE2 GLU A 132 -9.564 4.211 9.163 1.00 0.00 O ATOM 0 H GLU A 132 -7.414 0.381 6.585 1.00 0.00 H new ATOM 0 HA GLU A 132 -6.470 1.102 9.169 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -9.245 0.294 8.215 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -8.882 1.109 9.723 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -7.746 2.895 8.113 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -8.810 2.182 6.918 1.00 0.00 H new ATOM 474 N GLN A 133 -7.327 -2.005 8.665 1.00 0.00 N ATOM 475 CA GLN A 133 -7.330 -3.339 9.251 1.00 0.00 C ATOM 476 C GLN A 133 -5.908 -3.857 9.434 1.00 0.00 C ATOM 477 O GLN A 133 -5.695 -5.042 9.687 1.00 0.00 O ATOM 478 CB GLN A 133 -8.128 -4.304 8.373 1.00 0.00 C ATOM 479 CG GLN A 133 -9.633 -4.175 8.539 1.00 0.00 C ATOM 480 CD GLN A 133 -10.403 -5.140 7.659 1.00 0.00 C ATOM 481 OE1 GLN A 133 -11.176 -4.600 6.723 1.00 0.00 O flip ATOM 482 NE2 GLN A 133 -10.304 -6.357 7.816 1.00 0.00 N flip ATOM 0 H GLN A 133 -7.491 -1.986 7.658 1.00 0.00 H new ATOM 0 HA GLN A 133 -7.803 -3.276 10.231 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -7.870 -4.130 7.328 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -7.831 -5.326 8.608 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -9.896 -4.352 9.582 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -9.934 -3.154 8.303 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -9.698 -6.729 8.548 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -10.827 -6.993 7.215 1.00 0.00 H new ATOM 491 N GLY A 134 -4.934 -2.961 9.302 1.00 0.00 N ATOM 492 CA GLY A 134 -3.544 -3.347 9.456 1.00 0.00 C ATOM 493 C GLY A 134 -3.189 -4.572 8.638 1.00 0.00 C ATOM 494 O GLY A 134 -2.645 -5.544 9.164 1.00 0.00 O ATOM 0 H GLY A 134 -5.084 -1.974 9.091 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -2.904 -2.517 9.157 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -3.339 -3.545 10.508 1.00 0.00 H new ATOM 498 N HIS A 135 -3.499 -4.530 7.346 1.00 0.00 N ATOM 499 CA HIS A 135 -3.210 -5.647 6.453 1.00 0.00 C ATOM 500 C HIS A 135 -2.002 -5.341 5.572 1.00 0.00 C ATOM 501 O HIS A 135 -1.320 -6.249 5.100 1.00 0.00 O ATOM 502 CB HIS A 135 -4.427 -5.958 5.580 1.00 0.00 C ATOM 503 CG HIS A 135 -5.387 -6.918 6.213 1.00 0.00 C ATOM 504 ND1 HIS A 135 -6.691 -6.775 6.546 1.00 0.00 N flip ATOM 505 CD2 HIS A 135 -5.039 -8.201 6.577 1.00 0.00 C flip ATOM 506 CE1 HIS A 135 -7.102 -7.963 7.100 1.00 0.00 C flip ATOM 507 NE2 HIS A 135 -6.086 -8.808 7.106 1.00 0.00 N flip ATOM 0 H HIS A 135 -3.950 -3.735 6.894 1.00 0.00 H new ATOM 0 HA HIS A 135 -2.979 -6.519 7.065 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -4.950 -5.028 5.355 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -4.087 -6.370 4.630 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -4.061 -8.642 6.449 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -8.095 -8.172 7.471 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -6.107 -9.765 7.459 1.00 0.00 H new ATOM 515 N VAL A 136 -1.746 -4.055 5.354 1.00 0.00 N ATOM 516 CA VAL A 136 -0.622 -3.628 4.531 1.00 0.00 C ATOM 517 C VAL A 136 0.323 -2.725 5.315 1.00 0.00 C ATOM 518 O VAL A 136 -0.116 -1.853 6.066 1.00 0.00 O ATOM 519 CB VAL A 136 -1.100 -2.882 3.271 1.00 0.00 C ATOM 520 CG1 VAL A 136 0.040 -2.730 2.275 1.00 0.00 C ATOM 521 CG2 VAL A 136 -2.279 -3.606 2.638 1.00 0.00 C ATOM 0 H VAL A 136 -2.303 -3.291 5.737 1.00 0.00 H new ATOM 0 HA VAL A 136 -0.090 -4.531 4.230 1.00 0.00 H new ATOM 0 HB VAL A 136 -1.430 -1.885 3.564 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -0.317 -2.201 1.392 1.00 0.00 H new ATOM 0 HG12 VAL A 136 0.851 -2.165 2.734 1.00 0.00 H new ATOM 0 HG13 VAL A 136 0.404 -3.716 1.985 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -2.604 -3.065 1.749 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -1.978 -4.616 2.359 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -3.101 -3.657 3.352 1.00 0.00 H new ATOM 531 N ARG A 137 1.622 -2.939 5.136 1.00 0.00 N ATOM 532 CA ARG A 137 2.630 -2.144 5.828 1.00 0.00 C ATOM 533 C ARG A 137 3.632 -1.556 4.839 1.00 0.00 C ATOM 534 O ARG A 137 3.800 -2.066 3.731 1.00 0.00 O ATOM 535 CB ARG A 137 3.362 -3.000 6.864 1.00 0.00 C ATOM 536 CG ARG A 137 4.280 -4.045 6.251 1.00 0.00 C ATOM 537 CD ARG A 137 5.469 -4.339 7.152 1.00 0.00 C ATOM 538 NE ARG A 137 6.019 -5.671 6.916 1.00 0.00 N ATOM 539 CZ ARG A 137 5.550 -6.771 7.493 1.00 0.00 C ATOM 540 NH1 ARG A 137 4.527 -6.699 8.334 1.00 0.00 N ATOM 541 NH2 ARG A 137 6.102 -7.949 7.229 1.00 0.00 N ATOM 0 H ARG A 137 2.002 -3.656 4.518 1.00 0.00 H new ATOM 0 HA ARG A 137 2.124 -1.324 6.337 1.00 0.00 H new ATOM 0 HB2 ARG A 137 3.948 -2.349 7.512 1.00 0.00 H new ATOM 0 HB3 ARG A 137 2.627 -3.500 7.495 1.00 0.00 H new ATOM 0 HG2 ARG A 137 3.720 -4.963 6.074 1.00 0.00 H new ATOM 0 HG3 ARG A 137 4.634 -3.696 5.281 1.00 0.00 H new ATOM 0 HD2 ARG A 137 6.245 -3.592 6.984 1.00 0.00 H new ATOM 0 HD3 ARG A 137 5.164 -4.253 8.195 1.00 0.00 H new ATOM 0 HE ARG A 137 6.806 -5.761 6.273 1.00 0.00 H new ATOM 0 HH11 ARG A 137 4.098 -5.797 8.539 1.00 0.00 H new ATOM 0 HH12 ARG A 137 4.169 -7.546 8.776 1.00 0.00 H new ATOM 0 HH21 ARG A 137 6.888 -8.010 6.582 1.00 0.00 H new ATOM 0 HH22 ARG A 137 5.740 -8.793 7.673 1.00 0.00 H new ATOM 555 N VAL A 138 4.295 -0.478 5.247 1.00 0.00 N ATOM 556 CA VAL A 138 5.281 0.180 4.397 1.00 0.00 C ATOM 557 C VAL A 138 6.656 0.188 5.056 1.00 0.00 C ATOM 558 O VAL A 138 6.867 0.854 6.067 1.00 0.00 O ATOM 559 CB VAL A 138 4.868 1.629 4.077 1.00 0.00 C ATOM 560 CG1 VAL A 138 5.818 2.242 3.060 1.00 0.00 C ATOM 561 CG2 VAL A 138 3.433 1.675 3.575 1.00 0.00 C ATOM 0 H VAL A 138 4.167 -0.042 6.160 1.00 0.00 H new ATOM 0 HA VAL A 138 5.330 -0.389 3.469 1.00 0.00 H new ATOM 0 HB VAL A 138 4.927 2.217 4.993 1.00 0.00 H new ATOM 0 HG11 VAL A 138 5.511 3.266 2.846 1.00 0.00 H new ATOM 0 HG12 VAL A 138 6.831 2.244 3.463 1.00 0.00 H new ATOM 0 HG13 VAL A 138 5.794 1.656 2.141 1.00 0.00 H new ATOM 0 HG21 VAL A 138 3.158 2.706 3.354 1.00 0.00 H new ATOM 0 HG22 VAL A 138 3.345 1.074 2.670 1.00 0.00 H new ATOM 0 HG23 VAL A 138 2.767 1.278 4.341 1.00 0.00 H new ATOM 571 N GLY A 139 7.590 -0.559 4.473 1.00 0.00 N ATOM 572 CA GLY A 139 8.934 -0.623 5.016 1.00 0.00 C ATOM 573 C GLY A 139 8.951 -1.043 6.473 1.00 0.00 C ATOM 574 O GLY A 139 8.095 -1.801 6.932 1.00 0.00 O ATOM 0 H GLY A 139 7.439 -1.120 3.635 1.00 0.00 H new ATOM 0 HA2 GLY A 139 9.526 -1.327 4.431 1.00 0.00 H new ATOM 0 HA3 GLY A 139 9.410 0.353 4.917 1.00 0.00 H new ATOM 578 N PRO A 140 9.946 -0.548 7.224 1.00 0.00 N ATOM 579 CA PRO A 140 10.095 -0.866 8.647 1.00 0.00 C ATOM 580 C PRO A 140 9.003 -0.230 9.500 1.00 0.00 C ATOM 581 O PRO A 140 9.014 -0.342 10.726 1.00 0.00 O ATOM 582 CB PRO A 140 11.461 -0.274 9.000 1.00 0.00 C ATOM 583 CG PRO A 140 11.670 0.817 8.008 1.00 0.00 C ATOM 584 CD PRO A 140 11.000 0.359 6.742 1.00 0.00 C ATOM 0 HA PRO A 140 10.016 -1.937 8.836 1.00 0.00 H new ATOM 0 HB2 PRO A 140 11.474 0.111 10.020 1.00 0.00 H new ATOM 0 HB3 PRO A 140 12.247 -1.026 8.933 1.00 0.00 H new ATOM 0 HG2 PRO A 140 11.238 1.754 8.361 1.00 0.00 H new ATOM 0 HG3 PRO A 140 12.732 0.997 7.844 1.00 0.00 H new ATOM 0 HD2 PRO A 140 10.584 1.196 6.182 1.00 0.00 H new ATOM 0 HD3 PRO A 140 11.699 -0.152 6.080 1.00 0.00 H new ATOM 592 N ASP A 141 8.059 0.436 8.845 1.00 0.00 N ATOM 593 CA ASP A 141 6.958 1.089 9.544 1.00 0.00 C ATOM 594 C ASP A 141 5.615 0.536 9.078 1.00 0.00 C ATOM 595 O ASP A 141 5.348 0.451 7.880 1.00 0.00 O ATOM 596 CB ASP A 141 7.006 2.601 9.318 1.00 0.00 C ATOM 597 CG ASP A 141 8.252 3.235 9.905 1.00 0.00 C ATOM 598 OD1 ASP A 141 8.704 2.775 10.974 1.00 0.00 O ATOM 599 OD2 ASP A 141 8.775 4.191 9.295 1.00 0.00 O ATOM 0 H ASP A 141 8.034 0.538 7.830 1.00 0.00 H new ATOM 0 HA ASP A 141 7.066 0.885 10.609 1.00 0.00 H new ATOM 0 HB2 ASP A 141 6.967 2.807 8.248 1.00 0.00 H new ATOM 0 HB3 ASP A 141 6.124 3.060 9.764 1.00 0.00 H new ATOM 604 N VAL A 142 4.773 0.158 10.035 1.00 0.00 N ATOM 605 CA VAL A 142 3.457 -0.388 9.723 1.00 0.00 C ATOM 606 C VAL A 142 2.405 0.714 9.660 1.00 0.00 C ATOM 607 O VAL A 142 2.041 1.299 10.680 1.00 0.00 O ATOM 608 CB VAL A 142 3.024 -1.437 10.765 1.00 0.00 C ATOM 609 CG1 VAL A 142 1.583 -1.863 10.527 1.00 0.00 C ATOM 610 CG2 VAL A 142 3.956 -2.637 10.731 1.00 0.00 C ATOM 0 H VAL A 142 4.979 0.220 11.032 1.00 0.00 H new ATOM 0 HA VAL A 142 3.536 -0.867 8.747 1.00 0.00 H new ATOM 0 HB VAL A 142 3.085 -0.987 11.756 1.00 0.00 H new ATOM 0 HG11 VAL A 142 1.295 -2.604 11.272 1.00 0.00 H new ATOM 0 HG12 VAL A 142 0.929 -0.995 10.607 1.00 0.00 H new ATOM 0 HG13 VAL A 142 1.491 -2.296 9.531 1.00 0.00 H new ATOM 0 HG21 VAL A 142 3.635 -3.368 11.473 1.00 0.00 H new ATOM 0 HG22 VAL A 142 3.929 -3.090 9.740 1.00 0.00 H new ATOM 0 HG23 VAL A 142 4.973 -2.314 10.955 1.00 0.00 H new ATOM 620 N VAL A 143 1.920 0.993 8.454 1.00 0.00 N ATOM 621 CA VAL A 143 0.909 2.023 8.256 1.00 0.00 C ATOM 622 C VAL A 143 -0.493 1.470 8.488 1.00 0.00 C ATOM 623 O VAL A 143 -0.861 0.430 7.941 1.00 0.00 O ATOM 624 CB VAL A 143 0.985 2.620 6.839 1.00 0.00 C ATOM 625 CG1 VAL A 143 -0.079 3.692 6.652 1.00 0.00 C ATOM 626 CG2 VAL A 143 2.372 3.182 6.572 1.00 0.00 C ATOM 0 H VAL A 143 2.212 0.519 7.599 1.00 0.00 H new ATOM 0 HA VAL A 143 1.112 2.808 8.984 1.00 0.00 H new ATOM 0 HB VAL A 143 0.795 1.825 6.118 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -0.009 4.102 5.644 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -1.066 3.254 6.798 1.00 0.00 H new ATOM 0 HG13 VAL A 143 0.076 4.489 7.379 1.00 0.00 H new ATOM 0 HG21 VAL A 143 2.408 3.600 5.566 1.00 0.00 H new ATOM 0 HG22 VAL A 143 2.594 3.964 7.298 1.00 0.00 H new ATOM 0 HG23 VAL A 143 3.111 2.385 6.660 1.00 0.00 H new ATOM 636 N THR A 144 -1.273 2.172 9.304 1.00 0.00 N ATOM 637 CA THR A 144 -2.635 1.752 9.610 1.00 0.00 C ATOM 638 C THR A 144 -3.641 2.837 9.245 1.00 0.00 C ATOM 639 O THR A 144 -4.750 2.874 9.778 1.00 0.00 O ATOM 640 CB THR A 144 -2.793 1.401 11.102 1.00 0.00 C ATOM 641 OG1 THR A 144 -2.221 2.435 11.911 1.00 0.00 O ATOM 642 CG2 THR A 144 -2.123 0.073 11.419 1.00 0.00 C ATOM 0 H THR A 144 -0.984 3.035 9.765 1.00 0.00 H new ATOM 0 HA THR A 144 -2.833 0.862 9.012 1.00 0.00 H new ATOM 0 HB THR A 144 -3.857 1.314 11.322 1.00 0.00 H new ATOM 0 HG1 THR A 144 -2.327 2.206 12.858 1.00 0.00 H new ATOM 0 HG21 THR A 144 -2.248 -0.154 12.478 1.00 0.00 H new ATOM 0 HG22 THR A 144 -2.580 -0.717 10.823 1.00 0.00 H new ATOM 0 HG23 THR A 144 -1.060 0.136 11.184 1.00 0.00 H new ATOM 650 N ASP A 145 -3.247 3.720 8.334 1.00 0.00 N ATOM 651 CA ASP A 145 -4.116 4.807 7.896 1.00 0.00 C ATOM 652 C ASP A 145 -4.024 5.001 6.386 1.00 0.00 C ATOM 653 O ASP A 145 -2.938 5.057 5.808 1.00 0.00 O ATOM 654 CB ASP A 145 -3.743 6.106 8.613 1.00 0.00 C ATOM 655 CG ASP A 145 -4.884 7.105 8.629 1.00 0.00 C ATOM 656 OD1 ASP A 145 -5.920 6.814 9.262 1.00 0.00 O ATOM 657 OD2 ASP A 145 -4.740 8.178 8.005 1.00 0.00 O ATOM 0 H ASP A 145 -2.332 3.705 7.884 1.00 0.00 H new ATOM 0 HA ASP A 145 -5.143 4.543 8.148 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -3.447 5.880 9.637 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -2.879 6.553 8.122 1.00 0.00 H new ATOM 662 N PRO A 146 -5.190 5.105 5.731 1.00 0.00 N ATOM 663 CA PRO A 146 -5.267 5.295 4.279 1.00 0.00 C ATOM 664 C PRO A 146 -4.788 6.677 3.848 1.00 0.00 C ATOM 665 O PRO A 146 -4.365 6.869 2.709 1.00 0.00 O ATOM 666 CB PRO A 146 -6.760 5.128 3.979 1.00 0.00 C ATOM 667 CG PRO A 146 -7.444 5.486 5.253 1.00 0.00 C ATOM 668 CD PRO A 146 -6.522 5.049 6.357 1.00 0.00 C ATOM 0 HA PRO A 146 -4.629 4.594 3.742 1.00 0.00 H new ATOM 0 HB2 PRO A 146 -7.075 5.779 3.164 1.00 0.00 H new ATOM 0 HB3 PRO A 146 -6.992 4.106 3.679 1.00 0.00 H new ATOM 0 HG2 PRO A 146 -7.634 6.558 5.305 1.00 0.00 H new ATOM 0 HG3 PRO A 146 -8.410 4.987 5.331 1.00 0.00 H new ATOM 0 HD2 PRO A 146 -6.588 5.710 7.221 1.00 0.00 H new ATOM 0 HD3 PRO A 146 -6.760 4.044 6.706 1.00 0.00 H new ATOM 676 N ALA A 147 -4.859 7.636 4.766 1.00 0.00 N ATOM 677 CA ALA A 147 -4.429 8.998 4.481 1.00 0.00 C ATOM 678 C ALA A 147 -2.909 9.094 4.414 1.00 0.00 C ATOM 679 O ALA A 147 -2.351 10.179 4.251 1.00 0.00 O ATOM 680 CB ALA A 147 -4.975 9.954 5.532 1.00 0.00 C ATOM 0 H ALA A 147 -5.210 7.494 5.713 1.00 0.00 H new ATOM 0 HA ALA A 147 -4.826 9.281 3.506 1.00 0.00 H new ATOM 0 HB1 ALA A 147 -4.646 10.969 5.307 1.00 0.00 H new ATOM 0 HB2 ALA A 147 -6.064 9.916 5.527 1.00 0.00 H new ATOM 0 HB3 ALA A 147 -4.606 9.663 6.515 1.00 0.00 H new ATOM 686 N PHE A 148 -2.244 7.950 4.541 1.00 0.00 N ATOM 687 CA PHE A 148 -0.787 7.905 4.497 1.00 0.00 C ATOM 688 C PHE A 148 -0.276 8.197 3.090 1.00 0.00 C ATOM 689 O PHE A 148 -0.671 7.541 2.125 1.00 0.00 O ATOM 690 CB PHE A 148 -0.284 6.536 4.960 1.00 0.00 C ATOM 691 CG PHE A 148 1.205 6.374 4.845 1.00 0.00 C ATOM 692 CD1 PHE A 148 2.062 7.240 5.507 1.00 0.00 C ATOM 693 CD2 PHE A 148 1.747 5.356 4.077 1.00 0.00 C ATOM 694 CE1 PHE A 148 3.432 7.093 5.402 1.00 0.00 C ATOM 695 CE2 PHE A 148 3.117 5.205 3.969 1.00 0.00 C ATOM 696 CZ PHE A 148 3.960 6.074 4.634 1.00 0.00 C ATOM 0 H PHE A 148 -2.690 7.043 4.675 1.00 0.00 H new ATOM 0 HA PHE A 148 -0.404 8.672 5.170 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -0.579 6.381 5.998 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -0.772 5.760 4.371 1.00 0.00 H new ATOM 0 HD1 PHE A 148 1.655 8.037 6.111 1.00 0.00 H new ATOM 0 HD2 PHE A 148 1.092 4.673 3.557 1.00 0.00 H new ATOM 0 HE1 PHE A 148 4.090 7.775 5.920 1.00 0.00 H new ATOM 0 HE2 PHE A 148 3.527 4.409 3.366 1.00 0.00 H new ATOM 0 HZ PHE A 148 5.031 5.957 4.553 1.00 0.00 H new ATOM 706 N LEU A 149 0.604 9.186 2.980 1.00 0.00 N ATOM 707 CA LEU A 149 1.170 9.568 1.691 1.00 0.00 C ATOM 708 C LEU A 149 2.417 8.746 1.379 1.00 0.00 C ATOM 709 O LEU A 149 3.271 8.544 2.241 1.00 0.00 O ATOM 710 CB LEU A 149 1.511 11.058 1.682 1.00 0.00 C ATOM 711 CG LEU A 149 0.338 12.017 1.887 1.00 0.00 C ATOM 712 CD1 LEU A 149 0.792 13.459 1.722 1.00 0.00 C ATOM 713 CD2 LEU A 149 -0.788 11.697 0.916 1.00 0.00 C ATOM 0 H LEU A 149 0.941 9.738 3.768 1.00 0.00 H new ATOM 0 HA LEU A 149 0.424 9.369 0.921 1.00 0.00 H new ATOM 0 HB2 LEU A 149 2.248 11.246 2.462 1.00 0.00 H new ATOM 0 HB3 LEU A 149 1.986 11.296 0.730 1.00 0.00 H new ATOM 0 HG LEU A 149 -0.037 11.890 2.902 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -0.056 14.127 1.871 1.00 0.00 H new ATOM 0 HD12 LEU A 149 1.565 13.684 2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 149 1.194 13.601 0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -1.614 12.389 1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -0.425 11.796 -0.107 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -1.133 10.676 1.082 1.00 0.00 H new ATOM 725 N VAL A 150 2.516 8.277 0.139 1.00 0.00 N ATOM 726 CA VAL A 150 3.660 7.481 -0.288 1.00 0.00 C ATOM 727 C VAL A 150 4.219 7.987 -1.612 1.00 0.00 C ATOM 728 O VAL A 150 3.467 8.333 -2.525 1.00 0.00 O ATOM 729 CB VAL A 150 3.286 5.994 -0.437 1.00 0.00 C ATOM 730 CG1 VAL A 150 4.492 5.181 -0.879 1.00 0.00 C ATOM 731 CG2 VAL A 150 2.720 5.455 0.869 1.00 0.00 C ATOM 0 H VAL A 150 1.817 8.435 -0.587 1.00 0.00 H new ATOM 0 HA VAL A 150 4.421 7.581 0.486 1.00 0.00 H new ATOM 0 HB VAL A 150 2.518 5.906 -1.205 1.00 0.00 H new ATOM 0 HG11 VAL A 150 4.208 4.133 -0.979 1.00 0.00 H new ATOM 0 HG12 VAL A 150 4.849 5.553 -1.839 1.00 0.00 H new ATOM 0 HG13 VAL A 150 5.285 5.273 -0.136 1.00 0.00 H new ATOM 0 HG21 VAL A 150 2.461 4.403 0.747 1.00 0.00 H new ATOM 0 HG22 VAL A 150 3.466 5.556 1.658 1.00 0.00 H new ATOM 0 HG23 VAL A 150 1.828 6.020 1.139 1.00 0.00 H new ATOM 741 N THR A 151 5.544 8.028 -1.713 1.00 0.00 N ATOM 742 CA THR A 151 6.204 8.493 -2.927 1.00 0.00 C ATOM 743 C THR A 151 6.753 7.324 -3.737 1.00 0.00 C ATOM 744 O THR A 151 6.887 6.212 -3.227 1.00 0.00 O ATOM 745 CB THR A 151 7.355 9.464 -2.603 1.00 0.00 C ATOM 746 OG1 THR A 151 7.874 10.030 -3.812 1.00 0.00 O ATOM 747 CG2 THR A 151 8.470 8.751 -1.852 1.00 0.00 C ATOM 0 H THR A 151 6.181 7.745 -0.969 1.00 0.00 H new ATOM 0 HA THR A 151 5.451 9.017 -3.516 1.00 0.00 H new ATOM 0 HB THR A 151 6.962 10.259 -1.969 1.00 0.00 H new ATOM 0 HG1 THR A 151 8.604 10.647 -3.597 1.00 0.00 H new ATOM 0 HG21 THR A 151 9.271 9.457 -1.634 1.00 0.00 H new ATOM 0 HG22 THR A 151 8.079 8.347 -0.918 1.00 0.00 H new ATOM 0 HG23 THR A 151 8.859 7.938 -2.465 1.00 0.00 H new ATOM 755 N ARG A 152 7.071 7.583 -5.001 1.00 0.00 N ATOM 756 CA ARG A 152 7.604 6.551 -5.882 1.00 0.00 C ATOM 757 C ARG A 152 8.792 5.845 -5.234 1.00 0.00 C ATOM 758 O ARG A 152 8.984 4.643 -5.411 1.00 0.00 O ATOM 759 CB ARG A 152 8.028 7.161 -7.219 1.00 0.00 C ATOM 760 CG ARG A 152 6.892 7.274 -8.223 1.00 0.00 C ATOM 761 CD ARG A 152 5.919 8.379 -7.842 1.00 0.00 C ATOM 762 NE ARG A 152 5.089 8.791 -8.970 1.00 0.00 N ATOM 763 CZ ARG A 152 5.511 9.595 -9.939 1.00 0.00 C ATOM 764 NH1 ARG A 152 6.748 10.071 -9.918 1.00 0.00 N ATOM 765 NH2 ARG A 152 4.695 9.924 -10.933 1.00 0.00 N ATOM 0 H ARG A 152 6.969 8.499 -5.438 1.00 0.00 H new ATOM 0 HA ARG A 152 6.818 5.817 -6.058 1.00 0.00 H new ATOM 0 HB2 ARG A 152 8.444 8.152 -7.041 1.00 0.00 H new ATOM 0 HB3 ARG A 152 8.824 6.554 -7.650 1.00 0.00 H new ATOM 0 HG2 ARG A 152 7.300 7.473 -9.214 1.00 0.00 H new ATOM 0 HG3 ARG A 152 6.361 6.324 -8.281 1.00 0.00 H new ATOM 0 HD2 ARG A 152 5.280 8.035 -7.029 1.00 0.00 H new ATOM 0 HD3 ARG A 152 6.475 9.239 -7.468 1.00 0.00 H new ATOM 0 HE ARG A 152 4.132 8.442 -9.016 1.00 0.00 H new ATOM 0 HH11 ARG A 152 7.378 9.820 -9.156 1.00 0.00 H new ATOM 0 HH12 ARG A 152 7.070 10.688 -10.664 1.00 0.00 H new ATOM 0 HH21 ARG A 152 3.743 9.559 -10.953 1.00 0.00 H new ATOM 0 HH22 ARG A 152 5.020 10.542 -11.677 1.00 0.00 H new ATOM 779 N SER A 153 9.586 6.602 -4.482 1.00 0.00 N ATOM 780 CA SER A 153 10.757 6.049 -3.812 1.00 0.00 C ATOM 781 C SER A 153 10.349 5.246 -2.581 1.00 0.00 C ATOM 782 O SER A 153 11.090 4.377 -2.121 1.00 0.00 O ATOM 783 CB SER A 153 11.716 7.171 -3.407 1.00 0.00 C ATOM 784 OG SER A 153 12.909 6.648 -2.851 1.00 0.00 O ATOM 0 H SER A 153 9.439 7.599 -4.322 1.00 0.00 H new ATOM 0 HA SER A 153 11.263 5.381 -4.509 1.00 0.00 H new ATOM 0 HB2 SER A 153 11.954 7.781 -4.278 1.00 0.00 H new ATOM 0 HB3 SER A 153 11.230 7.825 -2.683 1.00 0.00 H new ATOM 0 HG SER A 153 13.505 7.385 -2.602 1.00 0.00 H new ATOM 790 N MET A 154 9.166 5.542 -2.054 1.00 0.00 N ATOM 791 CA MET A 154 8.659 4.847 -0.877 1.00 0.00 C ATOM 792 C MET A 154 7.759 3.683 -1.279 1.00 0.00 C ATOM 793 O MET A 154 7.545 2.754 -0.500 1.00 0.00 O ATOM 794 CB MET A 154 7.888 5.816 0.023 1.00 0.00 C ATOM 795 CG MET A 154 7.475 5.210 1.355 1.00 0.00 C ATOM 796 SD MET A 154 8.717 5.448 2.639 1.00 0.00 S ATOM 797 CE MET A 154 9.357 3.783 2.804 1.00 0.00 C ATOM 0 H MET A 154 8.541 6.258 -2.423 1.00 0.00 H new ATOM 0 HA MET A 154 9.511 4.451 -0.325 1.00 0.00 H new ATOM 0 HB2 MET A 154 8.505 6.695 0.209 1.00 0.00 H new ATOM 0 HB3 MET A 154 6.997 6.157 -0.504 1.00 0.00 H new ATOM 0 HG2 MET A 154 6.534 5.657 1.677 1.00 0.00 H new ATOM 0 HG3 MET A 154 7.293 4.143 1.224 1.00 0.00 H new ATOM 0 HE1 MET A 154 9.548 3.569 3.856 1.00 0.00 H new ATOM 0 HE2 MET A 154 8.627 3.072 2.416 1.00 0.00 H new ATOM 0 HE3 MET A 154 10.286 3.693 2.241 1.00 0.00 H new ATOM 807 N GLU A 155 7.235 3.740 -2.500 1.00 0.00 N ATOM 808 CA GLU A 155 6.357 2.690 -3.003 1.00 0.00 C ATOM 809 C GLU A 155 7.105 1.365 -3.118 1.00 0.00 C ATOM 810 O GLU A 155 6.533 0.296 -2.901 1.00 0.00 O ATOM 811 CB GLU A 155 5.784 3.084 -4.366 1.00 0.00 C ATOM 812 CG GLU A 155 4.707 4.154 -4.286 1.00 0.00 C ATOM 813 CD GLU A 155 4.220 4.593 -5.654 1.00 0.00 C ATOM 814 OE1 GLU A 155 4.185 3.746 -6.571 1.00 0.00 O ATOM 815 OE2 GLU A 155 3.874 5.783 -5.807 1.00 0.00 O ATOM 0 H GLU A 155 7.403 4.501 -3.158 1.00 0.00 H new ATOM 0 HA GLU A 155 5.538 2.565 -2.294 1.00 0.00 H new ATOM 0 HB2 GLU A 155 6.594 3.442 -5.002 1.00 0.00 H new ATOM 0 HB3 GLU A 155 5.369 2.198 -4.847 1.00 0.00 H new ATOM 0 HG2 GLU A 155 3.864 3.774 -3.709 1.00 0.00 H new ATOM 0 HG3 GLU A 155 5.097 5.018 -3.749 1.00 0.00 H new ATOM 822 N ASP A 156 8.386 1.442 -3.461 1.00 0.00 N ATOM 823 CA ASP A 156 9.213 0.250 -3.604 1.00 0.00 C ATOM 824 C ASP A 156 9.373 -0.465 -2.266 1.00 0.00 C ATOM 825 O ASP A 156 9.868 -1.590 -2.207 1.00 0.00 O ATOM 826 CB ASP A 156 10.587 0.621 -4.166 1.00 0.00 C ATOM 827 CG ASP A 156 11.333 -0.581 -4.710 1.00 0.00 C ATOM 828 OD1 ASP A 156 10.829 -1.211 -5.663 1.00 0.00 O ATOM 829 OD2 ASP A 156 12.422 -0.891 -4.185 1.00 0.00 O ATOM 0 H ASP A 156 8.874 2.318 -3.645 1.00 0.00 H new ATOM 0 HA ASP A 156 8.715 -0.426 -4.299 1.00 0.00 H new ATOM 0 HB2 ASP A 156 10.465 1.359 -4.959 1.00 0.00 H new ATOM 0 HB3 ASP A 156 11.182 1.090 -3.383 1.00 0.00 H new ATOM 834 N PHE A 157 8.950 0.197 -1.194 1.00 0.00 N ATOM 835 CA PHE A 157 9.048 -0.375 0.145 1.00 0.00 C ATOM 836 C PHE A 157 7.679 -0.826 0.645 1.00 0.00 C ATOM 837 O PHE A 157 7.418 -0.837 1.848 1.00 0.00 O ATOM 838 CB PHE A 157 9.648 0.645 1.115 1.00 0.00 C ATOM 839 CG PHE A 157 11.110 0.899 0.888 1.00 0.00 C ATOM 840 CD1 PHE A 157 12.049 -0.085 1.155 1.00 0.00 C ATOM 841 CD2 PHE A 157 11.548 2.123 0.408 1.00 0.00 C ATOM 842 CE1 PHE A 157 13.395 0.147 0.948 1.00 0.00 C ATOM 843 CE2 PHE A 157 12.894 2.361 0.200 1.00 0.00 C ATOM 844 CZ PHE A 157 13.818 1.371 0.468 1.00 0.00 C ATOM 0 H PHE A 157 8.536 1.129 -1.226 1.00 0.00 H new ATOM 0 HA PHE A 157 9.701 -1.246 0.095 1.00 0.00 H new ATOM 0 HB2 PHE A 157 9.105 1.586 1.022 1.00 0.00 H new ATOM 0 HB3 PHE A 157 9.503 0.293 2.136 1.00 0.00 H new ATOM 0 HD1 PHE A 157 11.724 -1.045 1.529 1.00 0.00 H new ATOM 0 HD2 PHE A 157 10.829 2.900 0.194 1.00 0.00 H new ATOM 0 HE1 PHE A 157 14.116 -0.628 1.161 1.00 0.00 H new ATOM 0 HE2 PHE A 157 13.222 3.320 -0.172 1.00 0.00 H new ATOM 0 HZ PHE A 157 14.870 1.553 0.303 1.00 0.00 H new ATOM 854 N VAL A 158 6.807 -1.197 -0.288 1.00 0.00 N ATOM 855 CA VAL A 158 5.465 -1.649 0.057 1.00 0.00 C ATOM 856 C VAL A 158 5.402 -3.170 0.138 1.00 0.00 C ATOM 857 O VAL A 158 5.736 -3.869 -0.819 1.00 0.00 O ATOM 858 CB VAL A 158 4.426 -1.156 -0.968 1.00 0.00 C ATOM 859 CG1 VAL A 158 3.055 -1.739 -0.660 1.00 0.00 C ATOM 860 CG2 VAL A 158 4.376 0.363 -0.988 1.00 0.00 C ATOM 0 H VAL A 158 7.007 -1.193 -1.288 1.00 0.00 H new ATOM 0 HA VAL A 158 5.229 -1.226 1.034 1.00 0.00 H new ATOM 0 HB VAL A 158 4.727 -1.499 -1.958 1.00 0.00 H new ATOM 0 HG11 VAL A 158 2.334 -1.380 -1.394 1.00 0.00 H new ATOM 0 HG12 VAL A 158 3.105 -2.827 -0.702 1.00 0.00 H new ATOM 0 HG13 VAL A 158 2.743 -1.428 0.337 1.00 0.00 H new ATOM 0 HG21 VAL A 158 3.637 0.693 -1.718 1.00 0.00 H new ATOM 0 HG22 VAL A 158 4.100 0.731 0.000 1.00 0.00 H new ATOM 0 HG23 VAL A 158 5.356 0.756 -1.261 1.00 0.00 H new ATOM 870 N THR A 159 4.969 -3.679 1.288 1.00 0.00 N ATOM 871 CA THR A 159 4.861 -5.117 1.495 1.00 0.00 C ATOM 872 C THR A 159 3.622 -5.464 2.312 1.00 0.00 C ATOM 873 O THR A 159 3.088 -4.623 3.036 1.00 0.00 O ATOM 874 CB THR A 159 6.106 -5.676 2.210 1.00 0.00 C ATOM 875 OG1 THR A 159 5.936 -7.074 2.469 1.00 0.00 O ATOM 876 CG2 THR A 159 6.355 -4.940 3.518 1.00 0.00 C ATOM 0 H THR A 159 4.687 -3.115 2.090 1.00 0.00 H new ATOM 0 HA THR A 159 4.781 -5.573 0.508 1.00 0.00 H new ATOM 0 HB THR A 159 6.968 -5.530 1.559 1.00 0.00 H new ATOM 0 HG1 THR A 159 6.732 -7.422 2.922 1.00 0.00 H new ATOM 0 HG21 THR A 159 7.239 -5.352 4.005 1.00 0.00 H new ATOM 0 HG22 THR A 159 6.513 -3.881 3.315 1.00 0.00 H new ATOM 0 HG23 THR A 159 5.492 -5.059 4.173 1.00 0.00 H new ATOM 884 N TRP A 160 3.168 -6.706 2.191 1.00 0.00 N ATOM 885 CA TRP A 160 1.991 -7.164 2.919 1.00 0.00 C ATOM 886 C TRP A 160 2.361 -7.603 4.332 1.00 0.00 C ATOM 887 O TRP A 160 3.351 -8.307 4.534 1.00 0.00 O ATOM 888 CB TRP A 160 1.321 -8.318 2.172 1.00 0.00 C ATOM 889 CG TRP A 160 0.691 -7.902 0.877 1.00 0.00 C ATOM 890 CD1 TRP A 160 1.245 -7.985 -0.368 1.00 0.00 C ATOM 891 CD2 TRP A 160 -0.612 -7.335 0.702 1.00 0.00 C ATOM 892 NE1 TRP A 160 0.365 -7.504 -1.307 1.00 0.00 N ATOM 893 CE2 TRP A 160 -0.782 -7.100 -0.676 1.00 0.00 C ATOM 894 CE3 TRP A 160 -1.653 -7.004 1.574 1.00 0.00 C ATOM 895 CZ2 TRP A 160 -1.949 -6.549 -1.200 1.00 0.00 C ATOM 896 CZ3 TRP A 160 -2.810 -6.457 1.053 1.00 0.00 C ATOM 897 CH2 TRP A 160 -2.951 -6.235 -0.323 1.00 0.00 C ATOM 0 H TRP A 160 3.597 -7.414 1.595 1.00 0.00 H new ATOM 0 HA TRP A 160 1.291 -6.331 2.989 1.00 0.00 H new ATOM 0 HB2 TRP A 160 2.062 -9.093 1.975 1.00 0.00 H new ATOM 0 HB3 TRP A 160 0.559 -8.762 2.812 1.00 0.00 H new ATOM 0 HD1 TRP A 160 2.230 -8.372 -0.583 1.00 0.00 H new ATOM 0 HE1 TRP A 160 0.538 -7.456 -2.311 1.00 0.00 H new ATOM 0 HE3 TRP A 160 -1.555 -7.173 2.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 160 -2.059 -6.376 -2.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 160 -3.620 -6.196 1.718 1.00 0.00 H new ATOM 0 HH2 TRP A 160 -3.869 -5.808 -0.699 1.00 0.00 H new ATOM 908 N VAL A 161 1.560 -7.185 5.306 1.00 0.00 N ATOM 909 CA VAL A 161 1.803 -7.537 6.700 1.00 0.00 C ATOM 910 C VAL A 161 2.231 -8.994 6.833 1.00 0.00 C ATOM 911 O VAL A 161 3.239 -9.301 7.470 1.00 0.00 O ATOM 912 CB VAL A 161 0.551 -7.299 7.565 1.00 0.00 C ATOM 913 CG1 VAL A 161 0.665 -8.046 8.886 1.00 0.00 C ATOM 914 CG2 VAL A 161 0.341 -5.811 7.801 1.00 0.00 C ATOM 0 H VAL A 161 0.737 -6.602 5.156 1.00 0.00 H new ATOM 0 HA VAL A 161 2.608 -6.892 7.054 1.00 0.00 H new ATOM 0 HB VAL A 161 -0.317 -7.684 7.030 1.00 0.00 H new ATOM 0 HG11 VAL A 161 -0.228 -7.866 9.484 1.00 0.00 H new ATOM 0 HG12 VAL A 161 0.763 -9.114 8.693 1.00 0.00 H new ATOM 0 HG13 VAL A 161 1.542 -7.693 9.429 1.00 0.00 H new ATOM 0 HG21 VAL A 161 -0.548 -5.662 8.414 1.00 0.00 H new ATOM 0 HG22 VAL A 161 1.209 -5.398 8.314 1.00 0.00 H new ATOM 0 HG23 VAL A 161 0.211 -5.306 6.844 1.00 0.00 H new