USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 448 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 100 TYR OH : rot 180:sc= -0.0156 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 160:sc= 0.00419 USER MOD Single : A 113 MET CE :methyl 160:sc= 0 (180deg=-0.316) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= -0.0164 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 132 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 141 SER OG : rot 26:sc= 0.922 USER MOD Single : A 143 THR OG1 : rot 180:sc= 0.162 USER MOD Single : A 150 MET CE :methyl -164:sc= -0.0864 (180deg=-0.49) USER MOD Single : A 153 MET CE :methyl -104:sc= -2.44! (180deg=-3.18!) USER MOD ----------------------------------------------------------------- ATOM 54 N GLU A 92 10.114 6.104 -6.617 1.00 0.00 N ATOM 55 CA GLU A 92 10.358 4.700 -6.265 1.00 0.00 C ATOM 56 C GLU A 92 9.562 4.246 -5.039 1.00 0.00 C ATOM 57 O GLU A 92 10.012 4.366 -3.896 1.00 0.00 O ATOM 58 CB GLU A 92 11.855 4.446 -6.052 1.00 0.00 C ATOM 59 CG GLU A 92 12.173 3.026 -5.603 1.00 0.00 C ATOM 60 CD GLU A 92 13.636 2.676 -5.756 1.00 0.00 C ATOM 61 OE1 GLU A 92 14.483 3.334 -5.118 1.00 0.00 O ATOM 62 OE2 GLU A 92 13.942 1.729 -6.512 1.00 0.00 O ATOM 0 HA GLU A 92 10.009 4.105 -7.108 1.00 0.00 H new ATOM 0 HB2 GLU A 92 12.386 4.652 -6.981 1.00 0.00 H new ATOM 0 HB3 GLU A 92 12.232 5.147 -5.307 1.00 0.00 H new ATOM 0 HG2 GLU A 92 11.883 2.907 -4.559 1.00 0.00 H new ATOM 0 HG3 GLU A 92 11.574 2.324 -6.183 1.00 0.00 H new ATOM 69 N LEU A 93 8.396 3.678 -5.291 1.00 0.00 N ATOM 70 CA LEU A 93 7.542 3.177 -4.221 1.00 0.00 C ATOM 71 C LEU A 93 8.103 1.876 -3.651 1.00 0.00 C ATOM 72 O LEU A 93 7.632 1.364 -2.637 1.00 0.00 O ATOM 73 CB LEU A 93 6.129 2.939 -4.757 1.00 0.00 C ATOM 74 CG LEU A 93 5.512 4.117 -5.517 1.00 0.00 C ATOM 75 CD1 LEU A 93 4.109 3.767 -5.987 1.00 0.00 C ATOM 76 CD2 LEU A 93 5.492 5.365 -4.647 1.00 0.00 C ATOM 0 H LEU A 93 8.015 3.551 -6.229 1.00 0.00 H new ATOM 0 HA LEU A 93 7.509 3.920 -3.425 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.150 2.072 -5.418 1.00 0.00 H new ATOM 0 HB3 LEU A 93 5.478 2.687 -3.920 1.00 0.00 H new ATOM 0 HG LEU A 93 6.127 4.324 -6.393 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.684 4.614 -6.525 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.152 2.901 -6.648 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.484 3.534 -5.125 1.00 0.00 H new ATOM 0 HD21 LEU A 93 5.050 6.190 -5.205 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.901 5.175 -3.751 1.00 0.00 H new ATOM 0 HD23 LEU A 93 6.511 5.625 -4.361 1.00 0.00 H new ATOM 88 N ARG A 94 9.130 1.358 -4.309 1.00 0.00 N ATOM 89 CA ARG A 94 9.704 0.074 -3.956 1.00 0.00 C ATOM 90 C ARG A 94 10.585 0.151 -2.718 1.00 0.00 C ATOM 91 O ARG A 94 10.893 -0.877 -2.126 1.00 0.00 O ATOM 92 CB ARG A 94 10.492 -0.500 -5.131 1.00 0.00 C ATOM 93 CG ARG A 94 9.608 -1.145 -6.182 1.00 0.00 C ATOM 94 CD ARG A 94 10.415 -1.715 -7.331 1.00 0.00 C ATOM 95 NE ARG A 94 9.596 -2.582 -8.167 1.00 0.00 N ATOM 96 CZ ARG A 94 9.950 -3.008 -9.379 1.00 0.00 C ATOM 97 NH1 ARG A 94 11.074 -2.579 -9.942 1.00 0.00 N ATOM 98 NH2 ARG A 94 9.171 -3.860 -10.027 1.00 0.00 N ATOM 0 H ARG A 94 9.585 1.816 -5.099 1.00 0.00 H new ATOM 0 HA ARG A 94 8.874 -0.591 -3.719 1.00 0.00 H new ATOM 0 HB2 ARG A 94 11.075 0.297 -5.594 1.00 0.00 H new ATOM 0 HB3 ARG A 94 11.202 -1.239 -4.759 1.00 0.00 H new ATOM 0 HG2 ARG A 94 9.020 -1.940 -5.723 1.00 0.00 H new ATOM 0 HG3 ARG A 94 8.903 -0.407 -6.565 1.00 0.00 H new ATOM 0 HD2 ARG A 94 10.821 -0.902 -7.933 1.00 0.00 H new ATOM 0 HD3 ARG A 94 11.263 -2.277 -6.940 1.00 0.00 H new ATOM 0 HE ARG A 94 8.693 -2.883 -7.801 1.00 0.00 H new ATOM 0 HH11 ARG A 94 11.673 -1.919 -9.446 1.00 0.00 H new ATOM 0 HH12 ARG A 94 11.338 -2.910 -10.870 1.00 0.00 H new ATOM 0 HH21 ARG A 94 8.305 -4.187 -9.598 1.00 0.00 H new ATOM 0 HH22 ARG A 94 9.437 -4.190 -10.955 1.00 0.00 H new ATOM 112 N GLU A 95 10.993 1.356 -2.321 1.00 0.00 N ATOM 113 CA GLU A 95 11.823 1.505 -1.128 1.00 0.00 C ATOM 114 C GLU A 95 11.082 1.005 0.109 1.00 0.00 C ATOM 115 O GLU A 95 11.656 0.321 0.953 1.00 0.00 O ATOM 116 CB GLU A 95 12.265 2.953 -0.927 1.00 0.00 C ATOM 117 CG GLU A 95 13.293 3.412 -1.941 1.00 0.00 C ATOM 118 CD GLU A 95 13.920 4.736 -1.567 1.00 0.00 C ATOM 119 OE1 GLU A 95 13.367 5.788 -1.947 1.00 0.00 O ATOM 120 OE2 GLU A 95 14.971 4.728 -0.890 1.00 0.00 O ATOM 0 H GLU A 95 10.767 2.228 -2.799 1.00 0.00 H new ATOM 0 HA GLU A 95 12.717 0.899 -1.275 1.00 0.00 H new ATOM 0 HB2 GLU A 95 11.392 3.603 -0.985 1.00 0.00 H new ATOM 0 HB3 GLU A 95 12.679 3.063 0.075 1.00 0.00 H new ATOM 0 HG2 GLU A 95 14.073 2.656 -2.031 1.00 0.00 H new ATOM 0 HG3 GLU A 95 12.820 3.500 -2.919 1.00 0.00 H new ATOM 127 N ALA A 96 9.802 1.325 0.198 1.00 0.00 N ATOM 128 CA ALA A 96 8.980 0.834 1.292 1.00 0.00 C ATOM 129 C ALA A 96 8.567 -0.613 1.045 1.00 0.00 C ATOM 130 O ALA A 96 8.610 -1.447 1.946 1.00 0.00 O ATOM 131 CB ALA A 96 7.753 1.717 1.472 1.00 0.00 C ATOM 0 H ALA A 96 9.311 1.919 -0.470 1.00 0.00 H new ATOM 0 HA ALA A 96 9.569 0.870 2.209 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.148 1.336 2.295 1.00 0.00 H new ATOM 0 HB2 ALA A 96 8.068 2.736 1.695 1.00 0.00 H new ATOM 0 HB3 ALA A 96 7.163 1.712 0.555 1.00 0.00 H new ATOM 137 N PHE A 97 8.205 -0.909 -0.201 1.00 0.00 N ATOM 138 CA PHE A 97 7.697 -2.227 -0.576 1.00 0.00 C ATOM 139 C PHE A 97 8.737 -3.320 -0.328 1.00 0.00 C ATOM 140 O PHE A 97 8.393 -4.426 0.090 1.00 0.00 O ATOM 141 CB PHE A 97 7.266 -2.223 -2.048 1.00 0.00 C ATOM 142 CG PHE A 97 6.572 -3.485 -2.480 1.00 0.00 C ATOM 143 CD1 PHE A 97 5.248 -3.715 -2.134 1.00 0.00 C ATOM 144 CD2 PHE A 97 7.238 -4.438 -3.235 1.00 0.00 C ATOM 145 CE1 PHE A 97 4.605 -4.872 -2.532 1.00 0.00 C ATOM 146 CE2 PHE A 97 6.600 -5.597 -3.635 1.00 0.00 C ATOM 147 CZ PHE A 97 5.282 -5.814 -3.283 1.00 0.00 C ATOM 0 H PHE A 97 8.255 -0.247 -0.975 1.00 0.00 H new ATOM 0 HA PHE A 97 6.832 -2.447 0.050 1.00 0.00 H new ATOM 0 HB2 PHE A 97 6.601 -1.377 -2.220 1.00 0.00 H new ATOM 0 HB3 PHE A 97 8.145 -2.070 -2.674 1.00 0.00 H new ATOM 0 HD1 PHE A 97 4.714 -2.982 -1.547 1.00 0.00 H new ATOM 0 HD2 PHE A 97 8.268 -4.273 -3.514 1.00 0.00 H new ATOM 0 HE1 PHE A 97 3.574 -5.040 -2.256 1.00 0.00 H new ATOM 0 HE2 PHE A 97 7.131 -6.332 -4.222 1.00 0.00 H new ATOM 0 HZ PHE A 97 4.781 -6.719 -3.594 1.00 0.00 H new ATOM 157 N ARG A 98 10.010 -3.003 -0.558 1.00 0.00 N ATOM 158 CA ARG A 98 11.084 -3.986 -0.409 1.00 0.00 C ATOM 159 C ARG A 98 11.267 -4.392 1.051 1.00 0.00 C ATOM 160 O ARG A 98 11.904 -5.403 1.350 1.00 0.00 O ATOM 161 CB ARG A 98 12.406 -3.444 -0.966 1.00 0.00 C ATOM 162 CG ARG A 98 12.992 -2.291 -0.164 1.00 0.00 C ATOM 163 CD ARG A 98 14.316 -1.816 -0.741 1.00 0.00 C ATOM 164 NE ARG A 98 14.179 -1.298 -2.105 1.00 0.00 N ATOM 165 CZ ARG A 98 14.846 -0.239 -2.569 1.00 0.00 C ATOM 166 NH1 ARG A 98 15.693 0.414 -1.787 1.00 0.00 N ATOM 167 NH2 ARG A 98 14.682 0.159 -3.822 1.00 0.00 N ATOM 0 H ARG A 98 10.323 -2.076 -0.847 1.00 0.00 H new ATOM 0 HA ARG A 98 10.796 -4.868 -0.980 1.00 0.00 H new ATOM 0 HB2 ARG A 98 13.133 -4.255 -1.000 1.00 0.00 H new ATOM 0 HB3 ARG A 98 12.247 -3.115 -1.993 1.00 0.00 H new ATOM 0 HG2 ARG A 98 12.284 -1.462 -0.149 1.00 0.00 H new ATOM 0 HG3 ARG A 98 13.138 -2.605 0.870 1.00 0.00 H new ATOM 0 HD2 ARG A 98 14.730 -1.038 -0.100 1.00 0.00 H new ATOM 0 HD3 ARG A 98 15.027 -2.642 -0.739 1.00 0.00 H new ATOM 0 HE ARG A 98 13.536 -1.775 -2.737 1.00 0.00 H new ATOM 0 HH11 ARG A 98 15.838 0.108 -0.825 1.00 0.00 H new ATOM 0 HH12 ARG A 98 16.200 1.223 -2.147 1.00 0.00 H new ATOM 0 HH21 ARG A 98 14.043 -0.345 -4.438 1.00 0.00 H new ATOM 0 HH22 ARG A 98 15.194 0.969 -4.171 1.00 0.00 H new ATOM 181 N LEU A 99 10.708 -3.600 1.958 1.00 0.00 N ATOM 182 CA LEU A 99 10.797 -3.893 3.380 1.00 0.00 C ATOM 183 C LEU A 99 9.711 -4.883 3.788 1.00 0.00 C ATOM 184 O LEU A 99 9.923 -5.728 4.655 1.00 0.00 O ATOM 185 CB LEU A 99 10.665 -2.608 4.203 1.00 0.00 C ATOM 186 CG LEU A 99 11.706 -1.527 3.899 1.00 0.00 C ATOM 187 CD1 LEU A 99 11.430 -0.280 4.723 1.00 0.00 C ATOM 188 CD2 LEU A 99 13.113 -2.042 4.170 1.00 0.00 C ATOM 0 H LEU A 99 10.189 -2.751 1.733 1.00 0.00 H new ATOM 0 HA LEU A 99 11.773 -4.337 3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.672 -2.190 4.037 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.730 -2.865 5.260 1.00 0.00 H new ATOM 0 HG LEU A 99 11.634 -1.270 2.842 1.00 0.00 H new ATOM 0 HD11 LEU A 99 12.178 0.479 4.496 1.00 0.00 H new ATOM 0 HD12 LEU A 99 10.439 0.104 4.481 1.00 0.00 H new ATOM 0 HD13 LEU A 99 11.475 -0.527 5.784 1.00 0.00 H new ATOM 0 HD21 LEU A 99 13.837 -1.258 3.947 1.00 0.00 H new ATOM 0 HD22 LEU A 99 13.200 -2.329 5.218 1.00 0.00 H new ATOM 0 HD23 LEU A 99 13.311 -2.908 3.539 1.00 0.00 H new ATOM 200 N TYR A 100 8.560 -4.782 3.137 1.00 0.00 N ATOM 201 CA TYR A 100 7.413 -5.617 3.479 1.00 0.00 C ATOM 202 C TYR A 100 7.485 -6.958 2.765 1.00 0.00 C ATOM 203 O TYR A 100 7.072 -7.985 3.308 1.00 0.00 O ATOM 204 CB TYR A 100 6.107 -4.907 3.126 1.00 0.00 C ATOM 205 CG TYR A 100 5.966 -3.549 3.777 1.00 0.00 C ATOM 206 CD1 TYR A 100 5.916 -3.420 5.160 1.00 0.00 C ATOM 207 CD2 TYR A 100 5.881 -2.396 3.008 1.00 0.00 C ATOM 208 CE1 TYR A 100 5.788 -2.180 5.758 1.00 0.00 C ATOM 209 CE2 TYR A 100 5.755 -1.155 3.597 1.00 0.00 C ATOM 210 CZ TYR A 100 5.707 -1.052 4.971 1.00 0.00 C ATOM 211 OH TYR A 100 5.574 0.184 5.556 1.00 0.00 O ATOM 0 H TYR A 100 8.394 -4.131 2.369 1.00 0.00 H new ATOM 0 HA TYR A 100 7.438 -5.795 4.554 1.00 0.00 H new ATOM 0 HB2 TYR A 100 6.046 -4.791 2.044 1.00 0.00 H new ATOM 0 HB3 TYR A 100 5.268 -5.535 3.427 1.00 0.00 H new ATOM 0 HD1 TYR A 100 5.978 -4.303 5.778 1.00 0.00 H new ATOM 0 HD2 TYR A 100 5.914 -2.472 1.931 1.00 0.00 H new ATOM 0 HE1 TYR A 100 5.752 -2.096 6.834 1.00 0.00 H new ATOM 0 HE2 TYR A 100 5.694 -0.268 2.984 1.00 0.00 H new ATOM 0 HH TYR A 100 5.532 0.873 4.860 1.00 0.00 H new ATOM 221 N ASP A 101 8.007 -6.949 1.545 1.00 0.00 N ATOM 222 CA ASP A 101 8.184 -8.178 0.781 1.00 0.00 C ATOM 223 C ASP A 101 9.437 -8.905 1.260 1.00 0.00 C ATOM 224 O ASP A 101 10.432 -9.018 0.545 1.00 0.00 O ATOM 225 CB ASP A 101 8.271 -7.870 -0.717 1.00 0.00 C ATOM 226 CG ASP A 101 8.288 -9.122 -1.576 1.00 0.00 C ATOM 227 OD1 ASP A 101 7.298 -9.883 -1.553 1.00 0.00 O ATOM 228 OD2 ASP A 101 9.284 -9.341 -2.298 1.00 0.00 O ATOM 0 H ASP A 101 8.315 -6.105 1.063 1.00 0.00 H new ATOM 0 HA ASP A 101 7.321 -8.825 0.941 1.00 0.00 H new ATOM 0 HB2 ASP A 101 7.423 -7.249 -1.005 1.00 0.00 H new ATOM 0 HB3 ASP A 101 9.172 -7.289 -0.912 1.00 0.00 H new ATOM 233 N LYS A 102 9.378 -9.371 2.498 1.00 0.00 N ATOM 234 CA LYS A 102 10.501 -10.050 3.131 1.00 0.00 C ATOM 235 C LYS A 102 10.755 -11.404 2.485 1.00 0.00 C ATOM 236 O LYS A 102 11.888 -11.725 2.117 1.00 0.00 O ATOM 237 CB LYS A 102 10.221 -10.257 4.620 1.00 0.00 C ATOM 238 CG LYS A 102 10.006 -8.976 5.403 1.00 0.00 C ATOM 239 CD LYS A 102 9.353 -9.255 6.752 1.00 0.00 C ATOM 240 CE LYS A 102 10.195 -10.186 7.617 1.00 0.00 C ATOM 241 NZ LYS A 102 9.450 -10.652 8.815 1.00 0.00 N ATOM 0 H LYS A 102 8.553 -9.290 3.092 1.00 0.00 H new ATOM 0 HA LYS A 102 11.383 -9.423 3.002 1.00 0.00 H new ATOM 0 HB2 LYS A 102 9.337 -10.886 4.727 1.00 0.00 H new ATOM 0 HB3 LYS A 102 11.055 -10.802 5.061 1.00 0.00 H new ATOM 0 HG2 LYS A 102 10.962 -8.476 5.556 1.00 0.00 H new ATOM 0 HG3 LYS A 102 9.379 -8.296 4.827 1.00 0.00 H new ATOM 0 HD2 LYS A 102 9.196 -8.314 7.280 1.00 0.00 H new ATOM 0 HD3 LYS A 102 8.370 -9.699 6.593 1.00 0.00 H new ATOM 0 HE2 LYS A 102 10.508 -11.047 7.026 1.00 0.00 H new ATOM 0 HE3 LYS A 102 11.102 -9.669 7.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 10.056 -11.283 9.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 9.173 -9.832 9.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 8.598 -11.168 8.515 1.00 0.00 H new ATOM 255 N GLU A 103 9.693 -12.187 2.347 1.00 0.00 N ATOM 256 CA GLU A 103 9.803 -13.555 1.854 1.00 0.00 C ATOM 257 C GLU A 103 10.121 -13.584 0.365 1.00 0.00 C ATOM 258 O GLU A 103 10.674 -14.559 -0.143 1.00 0.00 O ATOM 259 CB GLU A 103 8.516 -14.345 2.117 1.00 0.00 C ATOM 260 CG GLU A 103 8.171 -14.523 3.590 1.00 0.00 C ATOM 261 CD GLU A 103 7.752 -13.231 4.258 1.00 0.00 C ATOM 262 OE1 GLU A 103 6.704 -12.671 3.874 1.00 0.00 O ATOM 263 OE2 GLU A 103 8.469 -12.766 5.169 1.00 0.00 O ATOM 0 H GLU A 103 8.741 -11.897 2.571 1.00 0.00 H new ATOM 0 HA GLU A 103 10.623 -14.024 2.398 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.687 -13.839 1.622 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.609 -15.329 1.658 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.366 -15.252 3.684 1.00 0.00 H new ATOM 0 HG3 GLU A 103 9.035 -14.933 4.113 1.00 0.00 H new ATOM 270 N GLY A 104 9.780 -12.501 -0.324 1.00 0.00 N ATOM 271 CA GLY A 104 9.984 -12.436 -1.754 1.00 0.00 C ATOM 272 C GLY A 104 8.813 -13.015 -2.513 1.00 0.00 C ATOM 273 O GLY A 104 8.955 -14.002 -3.235 1.00 0.00 O ATOM 0 H GLY A 104 9.364 -11.665 0.087 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.134 -11.399 -2.053 1.00 0.00 H new ATOM 0 HA3 GLY A 104 10.892 -12.979 -2.017 1.00 0.00 H new ATOM 277 N ASN A 105 7.654 -12.402 -2.346 1.00 0.00 N ATOM 278 CA ASN A 105 6.433 -12.876 -2.983 1.00 0.00 C ATOM 279 C ASN A 105 6.070 -12.002 -4.169 1.00 0.00 C ATOM 280 O ASN A 105 5.580 -12.486 -5.184 1.00 0.00 O ATOM 281 CB ASN A 105 5.267 -12.890 -1.988 1.00 0.00 C ATOM 282 CG ASN A 105 5.243 -14.124 -1.105 1.00 0.00 C ATOM 283 OD1 ASN A 105 6.275 -14.721 -0.808 1.00 0.00 O ATOM 284 ND2 ASN A 105 4.051 -14.505 -0.672 1.00 0.00 N ATOM 0 H ASN A 105 7.531 -11.569 -1.771 1.00 0.00 H new ATOM 0 HA ASN A 105 6.617 -13.893 -3.330 1.00 0.00 H new ATOM 0 HB2 ASN A 105 5.326 -12.003 -1.358 1.00 0.00 H new ATOM 0 HB3 ASN A 105 4.328 -12.828 -2.539 1.00 0.00 H new ATOM 0 HD21 ASN A 105 3.965 -15.322 -0.068 1.00 0.00 H new ATOM 0 HD22 ASN A 105 3.219 -13.981 -0.942 1.00 0.00 H new ATOM 291 N GLY A 106 6.309 -10.707 -4.031 1.00 0.00 N ATOM 292 CA GLY A 106 5.952 -9.771 -5.081 1.00 0.00 C ATOM 293 C GLY A 106 4.586 -9.165 -4.842 1.00 0.00 C ATOM 294 O GLY A 106 4.112 -8.337 -5.621 1.00 0.00 O ATOM 0 H GLY A 106 6.744 -10.285 -3.211 1.00 0.00 H new ATOM 0 HA2 GLY A 106 6.699 -8.979 -5.133 1.00 0.00 H new ATOM 0 HA3 GLY A 106 5.961 -10.282 -6.044 1.00 0.00 H new ATOM 298 N TYR A 107 3.962 -9.590 -3.754 1.00 0.00 N ATOM 299 CA TYR A 107 2.651 -9.103 -3.358 1.00 0.00 C ATOM 300 C TYR A 107 2.499 -9.267 -1.855 1.00 0.00 C ATOM 301 O TYR A 107 3.012 -10.229 -1.279 1.00 0.00 O ATOM 302 CB TYR A 107 1.533 -9.855 -4.105 1.00 0.00 C ATOM 303 CG TYR A 107 1.590 -11.364 -3.969 1.00 0.00 C ATOM 304 CD1 TYR A 107 2.331 -12.136 -4.859 1.00 0.00 C ATOM 305 CD2 TYR A 107 0.897 -12.021 -2.956 1.00 0.00 C ATOM 306 CE1 TYR A 107 2.383 -13.509 -4.739 1.00 0.00 C ATOM 307 CE2 TYR A 107 0.948 -13.396 -2.831 1.00 0.00 C ATOM 308 CZ TYR A 107 1.690 -14.134 -3.724 1.00 0.00 C ATOM 309 OH TYR A 107 1.743 -15.503 -3.603 1.00 0.00 O ATOM 0 H TYR A 107 4.353 -10.285 -3.119 1.00 0.00 H new ATOM 0 HA TYR A 107 2.565 -8.049 -3.620 1.00 0.00 H new ATOM 0 HB2 TYR A 107 0.569 -9.506 -3.736 1.00 0.00 H new ATOM 0 HB3 TYR A 107 1.582 -9.596 -5.163 1.00 0.00 H new ATOM 0 HD1 TYR A 107 2.874 -11.652 -5.657 1.00 0.00 H new ATOM 0 HD2 TYR A 107 0.309 -11.446 -2.256 1.00 0.00 H new ATOM 0 HE1 TYR A 107 2.964 -14.092 -5.438 1.00 0.00 H new ATOM 0 HE2 TYR A 107 0.408 -13.889 -2.036 1.00 0.00 H new ATOM 0 HH TYR A 107 1.201 -15.785 -2.837 1.00 0.00 H new ATOM 319 N ILE A 108 1.823 -8.326 -1.220 1.00 0.00 N ATOM 320 CA ILE A 108 1.668 -8.346 0.222 1.00 0.00 C ATOM 321 C ILE A 108 0.205 -8.425 0.617 1.00 0.00 C ATOM 322 O ILE A 108 -0.674 -7.869 -0.050 1.00 0.00 O ATOM 323 CB ILE A 108 2.316 -7.110 0.887 1.00 0.00 C ATOM 324 CG1 ILE A 108 1.707 -5.815 0.337 1.00 0.00 C ATOM 325 CG2 ILE A 108 3.827 -7.130 0.683 1.00 0.00 C ATOM 326 CD1 ILE A 108 2.238 -4.560 1.000 1.00 0.00 C ATOM 0 H ILE A 108 1.372 -7.537 -1.683 1.00 0.00 H new ATOM 0 HA ILE A 108 2.182 -9.239 0.578 1.00 0.00 H new ATOM 0 HB ILE A 108 2.114 -7.147 1.957 1.00 0.00 H new ATOM 0 HG12 ILE A 108 1.902 -5.759 -0.734 1.00 0.00 H new ATOM 0 HG13 ILE A 108 0.625 -5.851 0.463 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.270 -6.254 1.157 1.00 0.00 H new ATOM 0 HG22 ILE A 108 4.243 -8.033 1.130 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.050 -7.118 -0.384 1.00 0.00 H new ATOM 0 HD11 ILE A 108 1.761 -3.685 0.558 1.00 0.00 H new ATOM 0 HD12 ILE A 108 2.020 -4.592 2.067 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.316 -4.499 0.852 1.00 0.00 H new ATOM 338 N SER A 109 -0.045 -9.150 1.691 1.00 0.00 N ATOM 339 CA SER A 109 -1.374 -9.260 2.254 1.00 0.00 C ATOM 340 C SER A 109 -1.852 -7.893 2.724 1.00 0.00 C ATOM 341 O SER A 109 -1.084 -7.109 3.283 1.00 0.00 O ATOM 342 CB SER A 109 -1.345 -10.253 3.417 1.00 0.00 C ATOM 343 OG SER A 109 -0.691 -11.452 3.031 1.00 0.00 O ATOM 0 H SER A 109 0.667 -9.678 2.196 1.00 0.00 H new ATOM 0 HA SER A 109 -2.069 -9.622 1.496 1.00 0.00 H new ATOM 0 HB2 SER A 109 -0.830 -9.809 4.269 1.00 0.00 H new ATOM 0 HB3 SER A 109 -2.362 -10.474 3.739 1.00 0.00 H new ATOM 0 HG SER A 109 -0.679 -12.076 3.787 1.00 0.00 H new ATOM 349 N THR A 110 -3.130 -7.624 2.480 1.00 0.00 N ATOM 350 CA THR A 110 -3.745 -6.330 2.766 1.00 0.00 C ATOM 351 C THR A 110 -3.584 -5.911 4.227 1.00 0.00 C ATOM 352 O THR A 110 -3.668 -4.727 4.548 1.00 0.00 O ATOM 353 CB THR A 110 -5.243 -6.357 2.403 1.00 0.00 C ATOM 354 OG1 THR A 110 -5.839 -7.566 2.888 1.00 0.00 O ATOM 355 CG2 THR A 110 -5.439 -6.259 0.901 1.00 0.00 C ATOM 0 H THR A 110 -3.775 -8.303 2.075 1.00 0.00 H new ATOM 0 HA THR A 110 -3.224 -5.595 2.153 1.00 0.00 H new ATOM 0 HB THR A 110 -5.724 -5.498 2.871 1.00 0.00 H new ATOM 0 HG1 THR A 110 -6.810 -7.450 2.950 1.00 0.00 H new ATOM 0 HG21 THR A 110 -6.504 -6.280 0.671 1.00 0.00 H new ATOM 0 HG22 THR A 110 -5.008 -5.326 0.538 1.00 0.00 H new ATOM 0 HG23 THR A 110 -4.946 -7.100 0.414 1.00 0.00 H new ATOM 363 N ASP A 111 -3.349 -6.881 5.107 1.00 0.00 N ATOM 364 CA ASP A 111 -3.103 -6.605 6.517 1.00 0.00 C ATOM 365 C ASP A 111 -1.881 -5.714 6.692 1.00 0.00 C ATOM 366 O ASP A 111 -1.809 -4.917 7.624 1.00 0.00 O ATOM 367 CB ASP A 111 -2.907 -7.905 7.291 1.00 0.00 C ATOM 368 CG ASP A 111 -4.168 -8.733 7.356 1.00 0.00 C ATOM 369 OD1 ASP A 111 -4.982 -8.506 8.273 1.00 0.00 O ATOM 370 OD2 ASP A 111 -4.352 -9.610 6.489 1.00 0.00 O ATOM 0 H ASP A 111 -3.324 -7.871 4.864 1.00 0.00 H new ATOM 0 HA ASP A 111 -3.975 -6.083 6.912 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -2.116 -8.489 6.820 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -2.574 -7.675 8.303 1.00 0.00 H new ATOM 375 N VAL A 112 -0.925 -5.837 5.783 1.00 0.00 N ATOM 376 CA VAL A 112 0.279 -5.023 5.838 1.00 0.00 C ATOM 377 C VAL A 112 -0.038 -3.585 5.433 1.00 0.00 C ATOM 378 O VAL A 112 0.608 -2.642 5.883 1.00 0.00 O ATOM 379 CB VAL A 112 1.383 -5.581 4.916 1.00 0.00 C ATOM 380 CG1 VAL A 112 2.688 -4.824 5.107 1.00 0.00 C ATOM 381 CG2 VAL A 112 1.590 -7.069 5.157 1.00 0.00 C ATOM 0 H VAL A 112 -0.960 -6.491 5.001 1.00 0.00 H new ATOM 0 HA VAL A 112 0.644 -5.046 6.865 1.00 0.00 H new ATOM 0 HB VAL A 112 1.057 -5.442 3.885 1.00 0.00 H new ATOM 0 HG11 VAL A 112 3.449 -5.238 4.445 1.00 0.00 H new ATOM 0 HG12 VAL A 112 2.536 -3.771 4.871 1.00 0.00 H new ATOM 0 HG13 VAL A 112 3.016 -4.920 6.142 1.00 0.00 H new ATOM 0 HG21 VAL A 112 2.373 -7.439 4.495 1.00 0.00 H new ATOM 0 HG22 VAL A 112 1.884 -7.232 6.194 1.00 0.00 H new ATOM 0 HG23 VAL A 112 0.662 -7.603 4.955 1.00 0.00 H new ATOM 391 N MET A 113 -1.066 -3.421 4.604 1.00 0.00 N ATOM 392 CA MET A 113 -1.439 -2.101 4.102 1.00 0.00 C ATOM 393 C MET A 113 -1.938 -1.206 5.235 1.00 0.00 C ATOM 394 O MET A 113 -1.639 -0.015 5.265 1.00 0.00 O ATOM 395 CB MET A 113 -2.504 -2.218 3.009 1.00 0.00 C ATOM 396 CG MET A 113 -2.883 -0.894 2.378 1.00 0.00 C ATOM 397 SD MET A 113 -1.474 -0.084 1.605 1.00 0.00 S ATOM 398 CE MET A 113 -2.291 1.283 0.800 1.00 0.00 C ATOM 0 H MET A 113 -1.654 -4.183 4.266 1.00 0.00 H new ATOM 0 HA MET A 113 -0.549 -1.643 3.671 1.00 0.00 H new ATOM 0 HB2 MET A 113 -2.140 -2.889 2.231 1.00 0.00 H new ATOM 0 HB3 MET A 113 -3.397 -2.676 3.433 1.00 0.00 H new ATOM 0 HG2 MET A 113 -3.660 -1.058 1.632 1.00 0.00 H new ATOM 0 HG3 MET A 113 -3.305 -0.238 3.139 1.00 0.00 H new ATOM 0 HE1 MET A 113 -1.563 2.065 0.582 1.00 0.00 H new ATOM 0 HE2 MET A 113 -2.744 0.939 -0.130 1.00 0.00 H new ATOM 0 HE3 MET A 113 -3.065 1.681 1.456 1.00 0.00 H new ATOM 408 N ARG A 114 -2.680 -1.776 6.181 1.00 0.00 N ATOM 409 CA ARG A 114 -3.153 -0.998 7.321 1.00 0.00 C ATOM 410 C ARG A 114 -2.016 -0.710 8.293 1.00 0.00 C ATOM 411 O ARG A 114 -2.107 0.211 9.108 1.00 0.00 O ATOM 412 CB ARG A 114 -4.333 -1.674 8.036 1.00 0.00 C ATOM 413 CG ARG A 114 -4.227 -3.183 8.195 1.00 0.00 C ATOM 414 CD ARG A 114 -5.410 -3.719 8.988 1.00 0.00 C ATOM 415 NE ARG A 114 -5.677 -5.135 8.724 1.00 0.00 N ATOM 416 CZ ARG A 114 -6.910 -5.640 8.587 1.00 0.00 C ATOM 417 NH1 ARG A 114 -7.965 -4.867 8.796 1.00 0.00 N ATOM 418 NH2 ARG A 114 -7.084 -6.922 8.283 1.00 0.00 N ATOM 0 H ARG A 114 -2.962 -2.756 6.182 1.00 0.00 H new ATOM 0 HA ARG A 114 -3.519 -0.048 6.931 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -4.439 -1.229 9.025 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -5.246 -1.448 7.486 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -4.195 -3.657 7.214 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -3.296 -3.437 8.702 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -5.220 -3.582 10.053 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -6.298 -3.135 8.746 1.00 0.00 H new ATOM 0 HE ARG A 114 -4.883 -5.769 8.640 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -7.837 -3.890 9.060 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -8.905 -5.248 8.692 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -6.275 -7.529 8.152 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -8.026 -7.298 8.181 1.00 0.00 H new ATOM 432 N GLU A 115 -0.940 -1.483 8.199 1.00 0.00 N ATOM 433 CA GLU A 115 0.265 -1.193 8.961 1.00 0.00 C ATOM 434 C GLU A 115 0.984 -0.012 8.320 1.00 0.00 C ATOM 435 O GLU A 115 1.479 0.884 9.006 1.00 0.00 O ATOM 436 CB GLU A 115 1.197 -2.407 8.999 1.00 0.00 C ATOM 437 CG GLU A 115 2.359 -2.241 9.967 1.00 0.00 C ATOM 438 CD GLU A 115 3.523 -3.156 9.652 1.00 0.00 C ATOM 439 OE1 GLU A 115 3.374 -4.388 9.786 1.00 0.00 O ATOM 440 OE2 GLU A 115 4.598 -2.640 9.280 1.00 0.00 O ATOM 0 H GLU A 115 -0.879 -2.310 7.606 1.00 0.00 H new ATOM 0 HA GLU A 115 -0.016 -0.951 9.986 1.00 0.00 H new ATOM 0 HB2 GLU A 115 0.622 -3.290 9.280 1.00 0.00 H new ATOM 0 HB3 GLU A 115 1.589 -2.587 7.998 1.00 0.00 H new ATOM 0 HG2 GLU A 115 2.700 -1.206 9.943 1.00 0.00 H new ATOM 0 HG3 GLU A 115 2.012 -2.439 10.981 1.00 0.00 H new ATOM 447 N ILE A 116 1.038 -0.023 6.990 1.00 0.00 N ATOM 448 CA ILE A 116 1.599 1.081 6.227 1.00 0.00 C ATOM 449 C ILE A 116 0.816 2.364 6.493 1.00 0.00 C ATOM 450 O ILE A 116 1.393 3.393 6.828 1.00 0.00 O ATOM 451 CB ILE A 116 1.572 0.792 4.709 1.00 0.00 C ATOM 452 CG1 ILE A 116 2.283 -0.527 4.401 1.00 0.00 C ATOM 453 CG2 ILE A 116 2.216 1.938 3.938 1.00 0.00 C ATOM 454 CD1 ILE A 116 2.177 -0.953 2.953 1.00 0.00 C ATOM 0 H ILE A 116 0.695 -0.794 6.417 1.00 0.00 H new ATOM 0 HA ILE A 116 2.634 1.200 6.547 1.00 0.00 H new ATOM 0 HB ILE A 116 0.533 0.704 4.393 1.00 0.00 H new ATOM 0 HG12 ILE A 116 3.336 -0.432 4.666 1.00 0.00 H new ATOM 0 HG13 ILE A 116 1.865 -1.311 5.032 1.00 0.00 H new ATOM 0 HG21 ILE A 116 2.189 1.719 2.871 1.00 0.00 H new ATOM 0 HG22 ILE A 116 1.669 2.860 4.133 1.00 0.00 H new ATOM 0 HG23 ILE A 116 3.251 2.055 4.258 1.00 0.00 H new ATOM 0 HD11 ILE A 116 2.705 -1.896 2.812 1.00 0.00 H new ATOM 0 HD12 ILE A 116 1.128 -1.081 2.687 1.00 0.00 H new ATOM 0 HD13 ILE A 116 2.622 -0.189 2.315 1.00 0.00 H new ATOM 466 N LEU A 117 -0.505 2.283 6.356 1.00 0.00 N ATOM 467 CA LEU A 117 -1.380 3.439 6.549 1.00 0.00 C ATOM 468 C LEU A 117 -1.233 4.032 7.948 1.00 0.00 C ATOM 469 O LEU A 117 -1.350 5.241 8.130 1.00 0.00 O ATOM 470 CB LEU A 117 -2.840 3.049 6.303 1.00 0.00 C ATOM 471 CG LEU A 117 -3.178 2.660 4.861 1.00 0.00 C ATOM 472 CD1 LEU A 117 -4.629 2.216 4.756 1.00 0.00 C ATOM 473 CD2 LEU A 117 -2.908 3.821 3.915 1.00 0.00 C ATOM 0 H LEU A 117 -0.997 1.424 6.111 1.00 0.00 H new ATOM 0 HA LEU A 117 -1.080 4.199 5.827 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -3.091 2.213 6.956 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -3.476 3.884 6.596 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.539 1.826 4.572 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -4.852 1.943 3.725 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -4.794 1.354 5.403 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -5.282 3.032 5.065 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -3.154 3.524 2.895 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -3.521 4.675 4.203 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -1.855 4.096 3.968 1.00 0.00 H new ATOM 485 N ALA A 118 -0.956 3.177 8.924 1.00 0.00 N ATOM 486 CA ALA A 118 -0.790 3.613 10.305 1.00 0.00 C ATOM 487 C ALA A 118 0.436 4.508 10.458 1.00 0.00 C ATOM 488 O ALA A 118 0.491 5.355 11.346 1.00 0.00 O ATOM 489 CB ALA A 118 -0.690 2.405 11.221 1.00 0.00 C ATOM 0 H ALA A 118 -0.841 2.173 8.784 1.00 0.00 H new ATOM 0 HA ALA A 118 -1.664 4.200 10.587 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -0.566 2.739 12.251 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -1.600 1.810 11.139 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.168 1.798 10.931 1.00 0.00 H new ATOM 495 N GLU A 119 1.413 4.313 9.587 1.00 0.00 N ATOM 496 CA GLU A 119 2.629 5.118 9.596 1.00 0.00 C ATOM 497 C GLU A 119 2.539 6.251 8.580 1.00 0.00 C ATOM 498 O GLU A 119 3.027 7.358 8.819 1.00 0.00 O ATOM 499 CB GLU A 119 3.839 4.239 9.282 1.00 0.00 C ATOM 500 CG GLU A 119 4.170 3.240 10.379 1.00 0.00 C ATOM 501 CD GLU A 119 4.509 3.914 11.694 1.00 0.00 C ATOM 502 OE1 GLU A 119 5.609 4.493 11.807 1.00 0.00 O ATOM 503 OE2 GLU A 119 3.685 3.856 12.626 1.00 0.00 O ATOM 0 H GLU A 119 1.389 3.599 8.859 1.00 0.00 H new ATOM 0 HA GLU A 119 2.743 5.552 10.589 1.00 0.00 H new ATOM 0 HB2 GLU A 119 3.653 3.698 8.354 1.00 0.00 H new ATOM 0 HB3 GLU A 119 4.706 4.877 9.110 1.00 0.00 H new ATOM 0 HG2 GLU A 119 3.322 2.571 10.525 1.00 0.00 H new ATOM 0 HG3 GLU A 119 5.011 2.623 10.063 1.00 0.00 H new ATOM 510 N LEU A 120 1.912 5.960 7.447 1.00 0.00 N ATOM 511 CA LEU A 120 1.756 6.925 6.365 1.00 0.00 C ATOM 512 C LEU A 120 0.904 8.106 6.825 1.00 0.00 C ATOM 513 O LEU A 120 1.247 9.264 6.586 1.00 0.00 O ATOM 514 CB LEU A 120 1.124 6.230 5.146 1.00 0.00 C ATOM 515 CG LEU A 120 1.143 7.013 3.825 1.00 0.00 C ATOM 516 CD1 LEU A 120 0.973 6.060 2.656 1.00 0.00 C ATOM 517 CD2 LEU A 120 0.045 8.065 3.788 1.00 0.00 C ATOM 0 H LEU A 120 1.497 5.049 7.252 1.00 0.00 H new ATOM 0 HA LEU A 120 2.735 7.311 6.080 1.00 0.00 H new ATOM 0 HB2 LEU A 120 1.639 5.282 4.988 1.00 0.00 H new ATOM 0 HB3 LEU A 120 0.088 5.993 5.387 1.00 0.00 H new ATOM 0 HG LEU A 120 2.105 7.520 3.750 1.00 0.00 H new ATOM 0 HD11 LEU A 120 0.987 6.623 1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 120 1.788 5.336 2.656 1.00 0.00 H new ATOM 0 HD13 LEU A 120 0.022 5.536 2.749 1.00 0.00 H new ATOM 0 HD21 LEU A 120 0.086 8.601 2.840 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -0.926 7.581 3.889 1.00 0.00 H new ATOM 0 HD23 LEU A 120 0.187 8.768 4.609 1.00 0.00 H new ATOM 529 N ASP A 121 -0.201 7.804 7.490 1.00 0.00 N ATOM 530 CA ASP A 121 -1.111 8.830 7.974 1.00 0.00 C ATOM 531 C ASP A 121 -0.845 9.083 9.449 1.00 0.00 C ATOM 532 O ASP A 121 0.061 8.490 10.035 1.00 0.00 O ATOM 533 CB ASP A 121 -2.560 8.390 7.754 1.00 0.00 C ATOM 534 CG ASP A 121 -3.518 9.562 7.640 1.00 0.00 C ATOM 535 OD1 ASP A 121 -3.957 10.084 8.687 1.00 0.00 O ATOM 536 OD2 ASP A 121 -3.836 9.967 6.504 1.00 0.00 O ATOM 0 H ASP A 121 -0.490 6.850 7.708 1.00 0.00 H new ATOM 0 HA ASP A 121 -0.947 9.755 7.421 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -2.619 7.789 6.847 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -2.871 7.751 8.581 1.00 0.00 H new ATOM 541 N GLU A 122 -1.634 9.947 10.046 1.00 0.00 N ATOM 542 CA GLU A 122 -1.454 10.321 11.426 1.00 0.00 C ATOM 543 C GLU A 122 -2.494 9.619 12.284 1.00 0.00 C ATOM 544 O GLU A 122 -3.611 10.103 12.487 1.00 0.00 O ATOM 545 CB GLU A 122 -1.494 11.843 11.609 1.00 0.00 C ATOM 546 CG GLU A 122 -2.720 12.528 11.028 1.00 0.00 C ATOM 547 CD GLU A 122 -2.690 14.019 11.262 1.00 0.00 C ATOM 548 OE1 GLU A 122 -2.955 14.447 12.404 1.00 0.00 O ATOM 549 OE2 GLU A 122 -2.373 14.772 10.317 1.00 0.00 O ATOM 0 H GLU A 122 -2.418 10.409 9.586 1.00 0.00 H new ATOM 0 HA GLU A 122 -0.464 10.000 11.751 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -1.442 12.067 12.674 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -0.604 12.273 11.149 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -2.775 12.329 9.958 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -3.619 12.107 11.478 1.00 0.00 H new ATOM 556 N THR A 123 -2.091 8.437 12.716 1.00 0.00 N ATOM 557 CA THR A 123 -2.835 7.568 13.628 1.00 0.00 C ATOM 558 C THR A 123 -4.285 7.359 13.200 1.00 0.00 C ATOM 559 O THR A 123 -5.222 7.951 13.740 1.00 0.00 O ATOM 560 CB THR A 123 -2.723 7.999 15.119 1.00 0.00 C ATOM 561 OG1 THR A 123 -3.578 7.190 15.938 1.00 0.00 O ATOM 562 CG2 THR A 123 -3.056 9.460 15.328 1.00 0.00 C ATOM 0 H THR A 123 -1.198 8.034 12.432 1.00 0.00 H new ATOM 0 HA THR A 123 -2.346 6.597 13.556 1.00 0.00 H new ATOM 0 HB THR A 123 -1.683 7.853 15.410 1.00 0.00 H new ATOM 0 HG1 THR A 123 -3.496 7.471 16.873 1.00 0.00 H new ATOM 0 HG21 THR A 123 -2.962 9.707 16.385 1.00 0.00 H new ATOM 0 HG22 THR A 123 -2.368 10.076 14.749 1.00 0.00 H new ATOM 0 HG23 THR A 123 -4.078 9.651 15.000 1.00 0.00 H new ATOM 570 N LEU A 124 -4.447 6.493 12.210 1.00 0.00 N ATOM 571 CA LEU A 124 -5.765 6.071 11.759 1.00 0.00 C ATOM 572 C LEU A 124 -6.303 4.978 12.673 1.00 0.00 C ATOM 573 O LEU A 124 -5.569 4.069 13.070 1.00 0.00 O ATOM 574 CB LEU A 124 -5.706 5.550 10.319 1.00 0.00 C ATOM 575 CG LEU A 124 -5.381 6.594 9.252 1.00 0.00 C ATOM 576 CD1 LEU A 124 -5.274 5.937 7.885 1.00 0.00 C ATOM 577 CD2 LEU A 124 -6.443 7.684 9.236 1.00 0.00 C ATOM 0 H LEU A 124 -3.674 6.066 11.700 1.00 0.00 H new ATOM 0 HA LEU A 124 -6.429 6.934 11.792 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -4.957 4.759 10.268 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -6.667 5.096 10.076 1.00 0.00 H new ATOM 0 HG LEU A 124 -4.421 7.050 9.493 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -5.042 6.693 7.135 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -4.482 5.188 7.902 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -6.221 5.458 7.636 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -6.197 8.420 8.471 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -7.415 7.242 9.016 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -6.479 8.172 10.210 1.00 0.00 H new ATOM 589 N SER A 125 -7.581 5.073 13.009 1.00 0.00 N ATOM 590 CA SER A 125 -8.223 4.080 13.852 1.00 0.00 C ATOM 591 C SER A 125 -8.504 2.807 13.056 1.00 0.00 C ATOM 592 O SER A 125 -8.540 2.837 11.822 1.00 0.00 O ATOM 593 CB SER A 125 -9.525 4.647 14.428 1.00 0.00 C ATOM 594 OG SER A 125 -10.195 3.704 15.257 1.00 0.00 O ATOM 0 H SER A 125 -8.194 5.831 12.709 1.00 0.00 H new ATOM 0 HA SER A 125 -7.553 3.830 14.674 1.00 0.00 H new ATOM 0 HB2 SER A 125 -9.306 5.546 15.005 1.00 0.00 H new ATOM 0 HB3 SER A 125 -10.183 4.945 13.612 1.00 0.00 H new ATOM 0 HG SER A 125 -11.019 4.103 15.606 1.00 0.00 H new ATOM 600 N SER A 126 -8.704 1.704 13.760 1.00 0.00 N ATOM 601 CA SER A 126 -9.032 0.432 13.133 1.00 0.00 C ATOM 602 C SER A 126 -10.272 0.569 12.252 1.00 0.00 C ATOM 603 O SER A 126 -10.352 -0.026 11.178 1.00 0.00 O ATOM 604 CB SER A 126 -9.266 -0.623 14.211 1.00 0.00 C ATOM 605 OG SER A 126 -8.193 -0.641 15.137 1.00 0.00 O ATOM 0 H SER A 126 -8.644 1.664 14.777 1.00 0.00 H new ATOM 0 HA SER A 126 -8.198 0.125 12.502 1.00 0.00 H new ATOM 0 HB2 SER A 126 -10.200 -0.415 14.733 1.00 0.00 H new ATOM 0 HB3 SER A 126 -9.371 -1.605 13.749 1.00 0.00 H new ATOM 0 HG SER A 126 -8.362 -1.322 15.821 1.00 0.00 H new ATOM 611 N GLU A 127 -11.216 1.391 12.704 1.00 0.00 N ATOM 612 CA GLU A 127 -12.467 1.603 11.986 1.00 0.00 C ATOM 613 C GLU A 127 -12.221 2.252 10.622 1.00 0.00 C ATOM 614 O GLU A 127 -12.988 2.047 9.683 1.00 0.00 O ATOM 615 CB GLU A 127 -13.416 2.450 12.840 1.00 0.00 C ATOM 616 CG GLU A 127 -13.811 1.766 14.141 1.00 0.00 C ATOM 617 CD GLU A 127 -14.708 2.615 15.020 1.00 0.00 C ATOM 618 OE1 GLU A 127 -15.781 3.039 14.554 1.00 0.00 O ATOM 619 OE2 GLU A 127 -14.362 2.823 16.203 1.00 0.00 O ATOM 0 H GLU A 127 -11.136 1.924 13.570 1.00 0.00 H new ATOM 0 HA GLU A 127 -12.932 0.635 11.801 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -12.939 3.404 13.067 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -14.315 2.672 12.264 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -14.321 0.831 13.911 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -12.909 1.509 14.696 1.00 0.00 H new ATOM 626 N ASP A 128 -11.138 3.017 10.516 1.00 0.00 N ATOM 627 CA ASP A 128 -10.749 3.628 9.245 1.00 0.00 C ATOM 628 C ASP A 128 -10.015 2.612 8.381 1.00 0.00 C ATOM 629 O ASP A 128 -10.246 2.504 7.176 1.00 0.00 O ATOM 630 CB ASP A 128 -9.836 4.842 9.468 1.00 0.00 C ATOM 631 CG ASP A 128 -10.522 5.982 10.186 1.00 0.00 C ATOM 632 OD1 ASP A 128 -11.163 6.815 9.513 1.00 0.00 O ATOM 633 OD2 ASP A 128 -10.411 6.062 11.427 1.00 0.00 O ATOM 0 H ASP A 128 -10.513 3.230 11.294 1.00 0.00 H new ATOM 0 HA ASP A 128 -11.659 3.958 8.744 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -8.964 4.531 10.044 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -9.472 5.196 8.504 1.00 0.00 H new ATOM 638 N LEU A 129 -9.129 1.862 9.020 1.00 0.00 N ATOM 639 CA LEU A 129 -8.292 0.886 8.330 1.00 0.00 C ATOM 640 C LEU A 129 -9.130 -0.253 7.750 1.00 0.00 C ATOM 641 O LEU A 129 -8.848 -0.740 6.657 1.00 0.00 O ATOM 642 CB LEU A 129 -7.240 0.329 9.291 1.00 0.00 C ATOM 643 CG LEU A 129 -6.304 1.375 9.909 1.00 0.00 C ATOM 644 CD1 LEU A 129 -5.390 0.738 10.945 1.00 0.00 C ATOM 645 CD2 LEU A 129 -5.482 2.056 8.825 1.00 0.00 C ATOM 0 H LEU A 129 -8.969 1.911 10.026 1.00 0.00 H new ATOM 0 HA LEU A 129 -7.794 1.391 7.502 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -7.750 -0.200 10.096 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -6.637 -0.406 8.758 1.00 0.00 H new ATOM 0 HG LEU A 129 -6.915 2.127 10.409 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -4.735 1.499 11.370 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -5.992 0.294 11.738 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -4.787 -0.036 10.471 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -4.823 2.796 9.279 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -4.884 1.311 8.300 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -6.149 2.550 8.119 1.00 0.00 H new ATOM 657 N ASP A 130 -10.163 -0.655 8.487 1.00 0.00 N ATOM 658 CA ASP A 130 -11.040 -1.757 8.080 1.00 0.00 C ATOM 659 C ASP A 130 -11.563 -1.562 6.660 1.00 0.00 C ATOM 660 O ASP A 130 -11.475 -2.467 5.832 1.00 0.00 O ATOM 661 CB ASP A 130 -12.224 -1.878 9.042 1.00 0.00 C ATOM 662 CG ASP A 130 -13.137 -3.045 8.702 1.00 0.00 C ATOM 663 OD1 ASP A 130 -14.052 -2.871 7.867 1.00 0.00 O ATOM 664 OD2 ASP A 130 -12.945 -4.140 9.271 1.00 0.00 O ATOM 0 H ASP A 130 -10.417 -0.230 9.379 1.00 0.00 H new ATOM 0 HA ASP A 130 -10.448 -2.672 8.108 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -11.850 -1.998 10.059 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -12.800 -0.953 9.021 1.00 0.00 H new ATOM 669 N ALA A 131 -12.087 -0.370 6.392 1.00 0.00 N ATOM 670 CA ALA A 131 -12.665 -0.049 5.088 1.00 0.00 C ATOM 671 C ALA A 131 -11.632 -0.196 3.975 1.00 0.00 C ATOM 672 O ALA A 131 -11.887 -0.846 2.960 1.00 0.00 O ATOM 673 CB ALA A 131 -13.234 1.362 5.102 1.00 0.00 C ATOM 0 H ALA A 131 -12.124 0.396 7.065 1.00 0.00 H new ATOM 0 HA ALA A 131 -13.471 -0.755 4.890 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -13.662 1.591 4.126 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -14.010 1.434 5.865 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -12.439 2.073 5.325 1.00 0.00 H new ATOM 679 N MET A 132 -10.457 0.385 4.193 1.00 0.00 N ATOM 680 CA MET A 132 -9.377 0.346 3.213 1.00 0.00 C ATOM 681 C MET A 132 -8.985 -1.089 2.886 1.00 0.00 C ATOM 682 O MET A 132 -8.707 -1.428 1.738 1.00 0.00 O ATOM 683 CB MET A 132 -8.148 1.091 3.743 1.00 0.00 C ATOM 684 CG MET A 132 -8.357 2.583 3.942 1.00 0.00 C ATOM 685 SD MET A 132 -8.569 3.471 2.391 1.00 0.00 S ATOM 686 CE MET A 132 -8.537 5.164 2.978 1.00 0.00 C ATOM 0 H MET A 132 -10.227 0.893 5.047 1.00 0.00 H new ATOM 0 HA MET A 132 -9.738 0.831 2.306 1.00 0.00 H new ATOM 0 HB2 MET A 132 -7.851 0.648 4.694 1.00 0.00 H new ATOM 0 HB3 MET A 132 -7.320 0.941 3.050 1.00 0.00 H new ATOM 0 HG2 MET A 132 -9.234 2.742 4.569 1.00 0.00 H new ATOM 0 HG3 MET A 132 -7.503 2.996 4.478 1.00 0.00 H new ATOM 0 HE1 MET A 132 -8.657 5.844 2.135 1.00 0.00 H new ATOM 0 HE2 MET A 132 -9.350 5.319 3.687 1.00 0.00 H new ATOM 0 HE3 MET A 132 -7.584 5.361 3.470 1.00 0.00 H new ATOM 696 N ILE A 133 -8.968 -1.931 3.906 1.00 0.00 N ATOM 697 CA ILE A 133 -8.540 -3.313 3.745 1.00 0.00 C ATOM 698 C ILE A 133 -9.647 -4.160 3.122 1.00 0.00 C ATOM 699 O ILE A 133 -9.380 -5.056 2.323 1.00 0.00 O ATOM 700 CB ILE A 133 -8.123 -3.923 5.102 1.00 0.00 C ATOM 701 CG1 ILE A 133 -7.078 -3.036 5.783 1.00 0.00 C ATOM 702 CG2 ILE A 133 -7.585 -5.336 4.927 1.00 0.00 C ATOM 703 CD1 ILE A 133 -5.903 -2.686 4.896 1.00 0.00 C ATOM 0 H ILE A 133 -9.246 -1.683 4.856 1.00 0.00 H new ATOM 0 HA ILE A 133 -7.679 -3.313 3.077 1.00 0.00 H new ATOM 0 HB ILE A 133 -9.008 -3.976 5.735 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -7.557 -2.115 6.115 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -6.710 -3.543 6.675 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -7.300 -5.740 5.898 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -8.356 -5.967 4.484 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -6.714 -5.315 4.273 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -5.206 -2.056 5.448 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -5.398 -3.600 4.584 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -6.258 -2.150 4.016 1.00 0.00 H new ATOM 715 N ASP A 134 -10.881 -3.838 3.475 1.00 0.00 N ATOM 716 CA ASP A 134 -12.049 -4.584 3.019 1.00 0.00 C ATOM 717 C ASP A 134 -12.205 -4.528 1.502 1.00 0.00 C ATOM 718 O ASP A 134 -12.519 -5.533 0.862 1.00 0.00 O ATOM 719 CB ASP A 134 -13.306 -4.026 3.686 1.00 0.00 C ATOM 720 CG ASP A 134 -14.584 -4.574 3.088 1.00 0.00 C ATOM 721 OD1 ASP A 134 -15.035 -5.650 3.522 1.00 0.00 O ATOM 722 OD2 ASP A 134 -15.150 -3.921 2.185 1.00 0.00 O ATOM 0 H ASP A 134 -11.104 -3.052 4.086 1.00 0.00 H new ATOM 0 HA ASP A 134 -11.907 -5.628 3.299 1.00 0.00 H new ATOM 0 HB2 ASP A 134 -13.280 -4.259 4.750 1.00 0.00 H new ATOM 0 HB3 ASP A 134 -13.306 -2.940 3.597 1.00 0.00 H new ATOM 727 N GLU A 135 -11.952 -3.361 0.931 1.00 0.00 N ATOM 728 CA GLU A 135 -12.235 -3.127 -0.479 1.00 0.00 C ATOM 729 C GLU A 135 -11.144 -3.694 -1.373 1.00 0.00 C ATOM 730 O GLU A 135 -11.338 -3.854 -2.578 1.00 0.00 O ATOM 731 CB GLU A 135 -12.416 -1.634 -0.753 1.00 0.00 C ATOM 732 CG GLU A 135 -11.250 -0.777 -0.306 1.00 0.00 C ATOM 733 CD GLU A 135 -11.495 0.695 -0.557 1.00 0.00 C ATOM 734 OE1 GLU A 135 -12.504 1.225 -0.048 1.00 0.00 O ATOM 735 OE2 GLU A 135 -10.699 1.323 -1.286 1.00 0.00 O ATOM 0 H GLU A 135 -11.552 -2.561 1.420 1.00 0.00 H new ATOM 0 HA GLU A 135 -13.164 -3.646 -0.714 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -12.571 -1.488 -1.822 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -13.320 -1.290 -0.250 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -11.069 -0.938 0.757 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -10.348 -1.089 -0.833 1.00 0.00 H new ATOM 742 N ILE A 136 -10.003 -3.994 -0.786 1.00 0.00 N ATOM 743 CA ILE A 136 -8.896 -4.566 -1.538 1.00 0.00 C ATOM 744 C ILE A 136 -8.805 -6.064 -1.268 1.00 0.00 C ATOM 745 O ILE A 136 -8.908 -6.871 -2.195 1.00 0.00 O ATOM 746 CB ILE A 136 -7.557 -3.892 -1.176 1.00 0.00 C ATOM 747 CG1 ILE A 136 -7.704 -2.370 -1.193 1.00 0.00 C ATOM 748 CG2 ILE A 136 -6.478 -4.322 -2.156 1.00 0.00 C ATOM 749 CD1 ILE A 136 -6.453 -1.637 -0.754 1.00 0.00 C ATOM 0 H ILE A 136 -9.815 -3.853 0.207 1.00 0.00 H new ATOM 0 HA ILE A 136 -9.087 -4.392 -2.597 1.00 0.00 H new ATOM 0 HB ILE A 136 -7.270 -4.203 -0.171 1.00 0.00 H new ATOM 0 HG12 ILE A 136 -7.968 -2.050 -2.201 1.00 0.00 H new ATOM 0 HG13 ILE A 136 -8.530 -2.085 -0.541 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -5.536 -3.842 -1.893 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -6.358 -5.405 -2.113 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -6.766 -4.029 -3.166 1.00 0.00 H new ATOM 0 HD11 ILE A 136 -6.629 -0.562 -0.791 1.00 0.00 H new ATOM 0 HD12 ILE A 136 -6.199 -1.929 0.265 1.00 0.00 H new ATOM 0 HD13 ILE A 136 -5.629 -1.892 -1.420 1.00 0.00 H new ATOM 761 N ASP A 137 -8.647 -6.413 0.014 1.00 0.00 N ATOM 762 CA ASP A 137 -8.581 -7.811 0.472 1.00 0.00 C ATOM 763 C ASP A 137 -7.371 -8.567 -0.088 1.00 0.00 C ATOM 764 O ASP A 137 -6.844 -8.232 -1.143 1.00 0.00 O ATOM 765 CB ASP A 137 -9.850 -8.541 0.083 1.00 0.00 C ATOM 766 CG ASP A 137 -10.069 -9.799 0.892 1.00 0.00 C ATOM 767 OD1 ASP A 137 -10.369 -9.685 2.099 1.00 0.00 O ATOM 768 OD2 ASP A 137 -9.941 -10.912 0.333 1.00 0.00 O ATOM 0 H ASP A 137 -8.561 -5.732 0.769 1.00 0.00 H new ATOM 0 HA ASP A 137 -8.473 -7.781 1.556 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -10.703 -7.875 0.216 1.00 0.00 H new ATOM 0 HB3 ASP A 137 -9.807 -8.797 -0.976 1.00 0.00 H new ATOM 773 N ALA A 138 -6.945 -9.609 0.610 1.00 0.00 N ATOM 774 CA ALA A 138 -5.754 -10.351 0.219 1.00 0.00 C ATOM 775 C ALA A 138 -6.098 -11.792 -0.133 1.00 0.00 C ATOM 776 O ALA A 138 -5.673 -12.727 0.546 1.00 0.00 O ATOM 777 CB ALA A 138 -4.720 -10.308 1.334 1.00 0.00 C ATOM 0 H ALA A 138 -7.405 -9.960 1.450 1.00 0.00 H new ATOM 0 HA ALA A 138 -5.334 -9.879 -0.670 1.00 0.00 H new ATOM 0 HB1 ALA A 138 -3.834 -10.866 1.030 1.00 0.00 H new ATOM 0 HB2 ALA A 138 -4.445 -9.273 1.536 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -5.139 -10.755 2.236 1.00 0.00 H new ATOM 783 N ASP A 139 -6.866 -11.968 -1.194 1.00 0.00 N ATOM 784 CA ASP A 139 -7.277 -13.305 -1.612 1.00 0.00 C ATOM 785 C ASP A 139 -6.865 -13.606 -3.050 1.00 0.00 C ATOM 786 O ASP A 139 -6.387 -14.699 -3.354 1.00 0.00 O ATOM 787 CB ASP A 139 -8.792 -13.463 -1.453 1.00 0.00 C ATOM 788 CG ASP A 139 -9.315 -14.776 -2.003 1.00 0.00 C ATOM 789 OD1 ASP A 139 -8.987 -15.837 -1.440 1.00 0.00 O ATOM 790 OD2 ASP A 139 -10.084 -14.746 -2.987 1.00 0.00 O ATOM 0 H ASP A 139 -7.217 -11.211 -1.781 1.00 0.00 H new ATOM 0 HA ASP A 139 -6.767 -14.022 -0.969 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -9.050 -13.390 -0.396 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -9.292 -12.638 -1.961 1.00 0.00 H new ATOM 795 N GLY A 140 -7.032 -12.629 -3.924 1.00 0.00 N ATOM 796 CA GLY A 140 -6.747 -12.828 -5.330 1.00 0.00 C ATOM 797 C GLY A 140 -7.262 -11.672 -6.145 1.00 0.00 C ATOM 798 O GLY A 140 -8.361 -11.181 -5.882 1.00 0.00 O ATOM 0 H GLY A 140 -7.362 -11.694 -3.684 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -5.672 -12.933 -5.477 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -7.208 -13.755 -5.672 1.00 0.00 H new ATOM 802 N SER A 141 -6.472 -11.233 -7.127 1.00 0.00 N ATOM 803 CA SER A 141 -6.746 -9.993 -7.859 1.00 0.00 C ATOM 804 C SER A 141 -7.080 -8.871 -6.877 1.00 0.00 C ATOM 805 O SER A 141 -7.937 -8.023 -7.126 1.00 0.00 O ATOM 806 CB SER A 141 -7.859 -10.183 -8.908 1.00 0.00 C ATOM 807 OG SER A 141 -8.987 -10.865 -8.380 1.00 0.00 O ATOM 0 H SER A 141 -5.631 -11.721 -7.436 1.00 0.00 H new ATOM 0 HA SER A 141 -5.848 -9.713 -8.409 1.00 0.00 H new ATOM 0 HB2 SER A 141 -8.170 -9.209 -9.285 1.00 0.00 H new ATOM 0 HB3 SER A 141 -7.464 -10.742 -9.756 1.00 0.00 H new ATOM 0 HG SER A 141 -9.034 -10.719 -7.412 1.00 0.00 H new ATOM 813 N GLY A 142 -6.375 -8.897 -5.755 1.00 0.00 N ATOM 814 CA GLY A 142 -6.617 -7.979 -4.666 1.00 0.00 C ATOM 815 C GLY A 142 -5.448 -7.964 -3.718 1.00 0.00 C ATOM 816 O GLY A 142 -5.111 -6.921 -3.163 1.00 0.00 O ATOM 0 H GLY A 142 -5.619 -9.559 -5.580 1.00 0.00 H new ATOM 0 HA2 GLY A 142 -6.787 -6.977 -5.059 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -7.522 -8.270 -4.132 1.00 0.00 H new ATOM 820 N THR A 143 -4.843 -9.139 -3.520 1.00 0.00 N ATOM 821 CA THR A 143 -3.590 -9.249 -2.799 1.00 0.00 C ATOM 822 C THR A 143 -2.618 -8.204 -3.326 1.00 0.00 C ATOM 823 O THR A 143 -2.176 -8.274 -4.475 1.00 0.00 O ATOM 824 CB THR A 143 -3.002 -10.659 -2.961 1.00 0.00 C ATOM 825 OG1 THR A 143 -3.911 -11.465 -3.728 1.00 0.00 O ATOM 826 CG2 THR A 143 -2.775 -11.309 -1.610 1.00 0.00 C ATOM 0 H THR A 143 -5.212 -10.029 -3.855 1.00 0.00 H new ATOM 0 HA THR A 143 -3.766 -9.076 -1.737 1.00 0.00 H new ATOM 0 HB THR A 143 -2.043 -10.579 -3.473 1.00 0.00 H new ATOM 0 HG1 THR A 143 -3.539 -12.365 -3.835 1.00 0.00 H new ATOM 0 HG21 THR A 143 -2.358 -12.306 -1.751 1.00 0.00 H new ATOM 0 HG22 THR A 143 -2.080 -10.704 -1.028 1.00 0.00 H new ATOM 0 HG23 THR A 143 -3.724 -11.384 -1.078 1.00 0.00 H new ATOM 834 N VAL A 144 -2.311 -7.237 -2.481 1.00 0.00 N ATOM 835 CA VAL A 144 -1.715 -5.990 -2.917 1.00 0.00 C ATOM 836 C VAL A 144 -0.279 -6.166 -3.395 1.00 0.00 C ATOM 837 O VAL A 144 0.637 -6.342 -2.596 1.00 0.00 O ATOM 838 CB VAL A 144 -1.762 -4.941 -1.787 1.00 0.00 C ATOM 839 CG1 VAL A 144 -1.263 -3.589 -2.278 1.00 0.00 C ATOM 840 CG2 VAL A 144 -3.176 -4.826 -1.233 1.00 0.00 C ATOM 0 H VAL A 144 -2.468 -7.295 -1.475 1.00 0.00 H new ATOM 0 HA VAL A 144 -2.305 -5.641 -3.765 1.00 0.00 H new ATOM 0 HB VAL A 144 -1.101 -5.270 -0.985 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -1.306 -2.867 -1.462 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -0.234 -3.685 -2.624 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -1.891 -3.246 -3.100 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -3.195 -4.082 -0.436 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -3.855 -4.522 -2.029 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -3.491 -5.791 -0.836 1.00 0.00 H new ATOM 850 N ASP A 145 -0.095 -6.128 -4.703 1.00 0.00 N ATOM 851 CA ASP A 145 1.236 -6.161 -5.290 1.00 0.00 C ATOM 852 C ASP A 145 1.713 -4.731 -5.530 1.00 0.00 C ATOM 853 O ASP A 145 1.035 -3.789 -5.127 1.00 0.00 O ATOM 854 CB ASP A 145 1.232 -6.950 -6.602 1.00 0.00 C ATOM 855 CG ASP A 145 0.820 -6.105 -7.790 1.00 0.00 C ATOM 856 OD1 ASP A 145 -0.368 -5.736 -7.884 1.00 0.00 O ATOM 857 OD2 ASP A 145 1.696 -5.800 -8.628 1.00 0.00 O ATOM 0 H ASP A 145 -0.853 -6.074 -5.383 1.00 0.00 H new ATOM 0 HA ASP A 145 1.917 -6.661 -4.602 1.00 0.00 H new ATOM 0 HB2 ASP A 145 2.227 -7.358 -6.779 1.00 0.00 H new ATOM 0 HB3 ASP A 145 0.552 -7.797 -6.510 1.00 0.00 H new ATOM 862 N PHE A 146 2.856 -4.558 -6.183 1.00 0.00 N ATOM 863 CA PHE A 146 3.383 -3.222 -6.444 1.00 0.00 C ATOM 864 C PHE A 146 2.420 -2.403 -7.312 1.00 0.00 C ATOM 865 O PHE A 146 2.223 -1.208 -7.072 1.00 0.00 O ATOM 866 CB PHE A 146 4.755 -3.309 -7.116 1.00 0.00 C ATOM 867 CG PHE A 146 5.392 -1.972 -7.363 1.00 0.00 C ATOM 868 CD1 PHE A 146 5.816 -1.188 -6.304 1.00 0.00 C ATOM 869 CD2 PHE A 146 5.564 -1.500 -8.653 1.00 0.00 C ATOM 870 CE1 PHE A 146 6.400 0.043 -6.529 1.00 0.00 C ATOM 871 CE2 PHE A 146 6.148 -0.270 -8.883 1.00 0.00 C ATOM 872 CZ PHE A 146 6.566 0.504 -7.819 1.00 0.00 C ATOM 0 H PHE A 146 3.433 -5.320 -6.540 1.00 0.00 H new ATOM 0 HA PHE A 146 3.490 -2.714 -5.486 1.00 0.00 H new ATOM 0 HB2 PHE A 146 5.418 -3.908 -6.492 1.00 0.00 H new ATOM 0 HB3 PHE A 146 4.652 -3.833 -8.066 1.00 0.00 H new ATOM 0 HD1 PHE A 146 5.689 -1.542 -5.292 1.00 0.00 H new ATOM 0 HD2 PHE A 146 5.238 -2.101 -9.489 1.00 0.00 H new ATOM 0 HE1 PHE A 146 6.727 0.646 -5.695 1.00 0.00 H new ATOM 0 HE2 PHE A 146 6.278 0.086 -9.894 1.00 0.00 H new ATOM 0 HZ PHE A 146 7.021 1.467 -7.996 1.00 0.00 H new ATOM 882 N GLU A 147 1.809 -3.050 -8.301 1.00 0.00 N ATOM 883 CA GLU A 147 0.875 -2.375 -9.196 1.00 0.00 C ATOM 884 C GLU A 147 -0.359 -1.913 -8.432 1.00 0.00 C ATOM 885 O GLU A 147 -0.780 -0.761 -8.553 1.00 0.00 O ATOM 886 CB GLU A 147 0.460 -3.296 -10.344 1.00 0.00 C ATOM 887 CG GLU A 147 1.605 -3.686 -11.264 1.00 0.00 C ATOM 888 CD GLU A 147 2.322 -2.483 -11.841 1.00 0.00 C ATOM 889 OE1 GLU A 147 1.655 -1.616 -12.447 1.00 0.00 O ATOM 890 OE2 GLU A 147 3.557 -2.398 -11.696 1.00 0.00 O ATOM 0 H GLU A 147 1.944 -4.041 -8.502 1.00 0.00 H new ATOM 0 HA GLU A 147 1.380 -1.504 -9.613 1.00 0.00 H new ATOM 0 HB2 GLU A 147 0.016 -4.201 -9.929 1.00 0.00 H new ATOM 0 HB3 GLU A 147 -0.314 -2.802 -10.932 1.00 0.00 H new ATOM 0 HG2 GLU A 147 2.317 -4.299 -10.712 1.00 0.00 H new ATOM 0 HG3 GLU A 147 1.220 -4.300 -12.078 1.00 0.00 H new ATOM 897 N GLU A 148 -0.926 -2.818 -7.641 1.00 0.00 N ATOM 898 CA GLU A 148 -2.096 -2.507 -6.829 1.00 0.00 C ATOM 899 C GLU A 148 -1.749 -1.441 -5.789 1.00 0.00 C ATOM 900 O GLU A 148 -2.494 -0.478 -5.597 1.00 0.00 O ATOM 901 CB GLU A 148 -2.606 -3.777 -6.142 1.00 0.00 C ATOM 902 CG GLU A 148 -4.004 -3.647 -5.563 1.00 0.00 C ATOM 903 CD GLU A 148 -5.057 -3.407 -6.630 1.00 0.00 C ATOM 904 OE1 GLU A 148 -5.477 -4.383 -7.286 1.00 0.00 O ATOM 905 OE2 GLU A 148 -5.476 -2.246 -6.811 1.00 0.00 O ATOM 0 H GLU A 148 -0.592 -3.777 -7.545 1.00 0.00 H new ATOM 0 HA GLU A 148 -2.883 -2.117 -7.475 1.00 0.00 H new ATOM 0 HB2 GLU A 148 -2.596 -4.596 -6.861 1.00 0.00 H new ATOM 0 HB3 GLU A 148 -1.916 -4.047 -5.342 1.00 0.00 H new ATOM 0 HG2 GLU A 148 -4.251 -4.554 -5.012 1.00 0.00 H new ATOM 0 HG3 GLU A 148 -4.022 -2.824 -4.848 1.00 0.00 H new ATOM 912 N PHE A 149 -0.599 -1.613 -5.141 1.00 0.00 N ATOM 913 CA PHE A 149 -0.118 -0.668 -4.136 1.00 0.00 C ATOM 914 C PHE A 149 -0.027 0.738 -4.719 1.00 0.00 C ATOM 915 O PHE A 149 -0.457 1.712 -4.095 1.00 0.00 O ATOM 916 CB PHE A 149 1.249 -1.122 -3.609 1.00 0.00 C ATOM 917 CG PHE A 149 1.827 -0.238 -2.538 1.00 0.00 C ATOM 918 CD1 PHE A 149 1.264 -0.199 -1.273 1.00 0.00 C ATOM 919 CD2 PHE A 149 2.935 0.553 -2.800 1.00 0.00 C ATOM 920 CE1 PHE A 149 1.796 0.610 -0.288 1.00 0.00 C ATOM 921 CE2 PHE A 149 3.471 1.364 -1.818 1.00 0.00 C ATOM 922 CZ PHE A 149 2.901 1.394 -0.560 1.00 0.00 C ATOM 0 H PHE A 149 0.023 -2.407 -5.296 1.00 0.00 H new ATOM 0 HA PHE A 149 -0.826 -0.644 -3.308 1.00 0.00 H new ATOM 0 HB2 PHE A 149 1.155 -2.134 -3.216 1.00 0.00 H new ATOM 0 HB3 PHE A 149 1.949 -1.167 -4.443 1.00 0.00 H new ATOM 0 HD1 PHE A 149 0.399 -0.808 -1.054 1.00 0.00 H new ATOM 0 HD2 PHE A 149 3.384 0.535 -3.782 1.00 0.00 H new ATOM 0 HE1 PHE A 149 1.348 0.630 0.695 1.00 0.00 H new ATOM 0 HE2 PHE A 149 4.335 1.974 -2.034 1.00 0.00 H new ATOM 0 HZ PHE A 149 3.318 2.028 0.209 1.00 0.00 H new ATOM 932 N MET A 150 0.518 0.830 -5.928 1.00 0.00 N ATOM 933 CA MET A 150 0.619 2.102 -6.630 1.00 0.00 C ATOM 934 C MET A 150 -0.764 2.711 -6.832 1.00 0.00 C ATOM 935 O MET A 150 -0.991 3.877 -6.511 1.00 0.00 O ATOM 936 CB MET A 150 1.294 1.910 -7.991 1.00 0.00 C ATOM 937 CG MET A 150 1.402 3.190 -8.808 1.00 0.00 C ATOM 938 SD MET A 150 2.045 2.906 -10.470 1.00 0.00 S ATOM 939 CE MET A 150 3.656 2.213 -10.099 1.00 0.00 C ATOM 0 H MET A 150 0.897 0.035 -6.442 1.00 0.00 H new ATOM 0 HA MET A 150 1.222 2.777 -6.023 1.00 0.00 H new ATOM 0 HB2 MET A 150 2.293 1.503 -7.837 1.00 0.00 H new ATOM 0 HB3 MET A 150 0.734 1.171 -8.563 1.00 0.00 H new ATOM 0 HG2 MET A 150 0.419 3.655 -8.878 1.00 0.00 H new ATOM 0 HG3 MET A 150 2.051 3.894 -8.288 1.00 0.00 H new ATOM 0 HE1 MET A 150 4.281 2.248 -10.991 1.00 0.00 H new ATOM 0 HE2 MET A 150 4.126 2.791 -9.303 1.00 0.00 H new ATOM 0 HE3 MET A 150 3.541 1.178 -9.777 1.00 0.00 H new ATOM 949 N GLY A 151 -1.691 1.900 -7.335 1.00 0.00 N ATOM 950 CA GLY A 151 -3.024 2.380 -7.651 1.00 0.00 C ATOM 951 C GLY A 151 -3.818 2.799 -6.426 1.00 0.00 C ATOM 952 O GLY A 151 -4.643 3.709 -6.499 1.00 0.00 O ATOM 0 H GLY A 151 -1.540 0.910 -7.530 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -2.945 3.228 -8.332 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -3.569 1.597 -8.178 1.00 0.00 H new ATOM 956 N VAL A 152 -3.572 2.143 -5.302 1.00 0.00 N ATOM 957 CA VAL A 152 -4.302 2.443 -4.078 1.00 0.00 C ATOM 958 C VAL A 152 -3.726 3.665 -3.365 1.00 0.00 C ATOM 959 O VAL A 152 -4.464 4.567 -2.970 1.00 0.00 O ATOM 960 CB VAL A 152 -4.305 1.239 -3.108 1.00 0.00 C ATOM 961 CG1 VAL A 152 -5.036 1.587 -1.819 1.00 0.00 C ATOM 962 CG2 VAL A 152 -4.944 0.027 -3.766 1.00 0.00 C ATOM 0 H VAL A 152 -2.876 1.403 -5.211 1.00 0.00 H new ATOM 0 HA VAL A 152 -5.328 2.659 -4.375 1.00 0.00 H new ATOM 0 HB VAL A 152 -3.271 0.997 -2.862 1.00 0.00 H new ATOM 0 HG11 VAL A 152 -5.026 0.726 -1.151 1.00 0.00 H new ATOM 0 HG12 VAL A 152 -4.539 2.428 -1.335 1.00 0.00 H new ATOM 0 HG13 VAL A 152 -6.067 1.857 -2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 152 -4.938 -0.811 -3.069 1.00 0.00 H new ATOM 0 HG22 VAL A 152 -5.972 0.262 -4.041 1.00 0.00 H new ATOM 0 HG23 VAL A 152 -4.381 -0.241 -4.660 1.00 0.00 H new ATOM 972 N MET A 153 -2.408 3.698 -3.212 1.00 0.00 N ATOM 973 CA MET A 153 -1.757 4.753 -2.436 1.00 0.00 C ATOM 974 C MET A 153 -1.709 6.075 -3.200 1.00 0.00 C ATOM 975 O MET A 153 -1.893 7.145 -2.615 1.00 0.00 O ATOM 976 CB MET A 153 -0.340 4.337 -2.038 1.00 0.00 C ATOM 977 CG MET A 153 0.350 5.333 -1.122 1.00 0.00 C ATOM 978 SD MET A 153 2.059 4.887 -0.762 1.00 0.00 S ATOM 979 CE MET A 153 2.775 4.969 -2.403 1.00 0.00 C ATOM 0 H MET A 153 -1.769 3.011 -3.612 1.00 0.00 H new ATOM 0 HA MET A 153 -2.355 4.902 -1.537 1.00 0.00 H new ATOM 0 HB2 MET A 153 -0.381 3.367 -1.542 1.00 0.00 H new ATOM 0 HB3 MET A 153 0.259 4.209 -2.940 1.00 0.00 H new ATOM 0 HG2 MET A 153 0.327 6.320 -1.584 1.00 0.00 H new ATOM 0 HG3 MET A 153 -0.206 5.405 -0.187 1.00 0.00 H new ATOM 0 HE1 MET A 153 2.921 3.959 -2.787 1.00 0.00 H new ATOM 0 HE2 MET A 153 2.104 5.516 -3.066 1.00 0.00 H new ATOM 0 HE3 MET A 153 3.736 5.481 -2.356 1.00 0.00 H new