USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 472 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 142 LYS NZ :NH3+ -174:sc= -0.7 (180deg=0) USER MOD Set 1.2: A 174 LYS NZ :NH3+ 176:sc= -1.66 (180deg=-1.04) USER MOD Set 2.1: A 147 ASN :FLIP amide:sc= -0.208 F(o=-0.8!,f=0.81) USER MOD Set 2.2: A 151 THR OG1 : rot 80:sc= 1.01 USER MOD Set 3.1: A 148 MET CE :methyl 164:sc= -1.27 (180deg=-1.6) USER MOD Set 3.2: A 152 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 GLN :FLIP amide:sc= -0.0875 F(o=-1.6!,f=-0.087) USER MOD Single : A 140 LYS NZ :NH3+ -151:sc= -3.33! (180deg=-5.73!) USER MOD Single : A 143 GLN : amide:sc= -0.0641 X(o=-0.064,f=-0.064) USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 161 LYS NZ :NH3+ -112:sc= -0.458 (180deg=-3.14!) USER MOD Single : A 165 THR OG1 : rot 68:sc= 0.0293 USER MOD Single : A 167 GLN : amide:sc= -1.94! X(o=-1.9!,f=-1.6) USER MOD Single : A 168 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 169 MET CE :methyl 160:sc= -0.325 (180deg=-0.996) USER MOD Single : A 171 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 173 SER OG : rot 74:sc= 0.689 USER MOD Single : A 175 THR OG1 : rot 74:sc= 0.579 USER MOD Single : A 176 LYS NZ :NH3+ -163:sc= 0.19 (180deg=-0.105) USER MOD Single : A 182 MET CE :methyl -162:sc= -0.167 (180deg=-0.674) USER MOD Single : A 183 GLN : amide:sc= -1.18 K(o=-1.2,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 111 N ARG A 127 14.712 5.014 -2.563 1.00 0.00 N ATOM 112 CA ARG A 127 13.988 3.750 -2.478 1.00 0.00 C ATOM 113 C ARG A 127 13.251 3.624 -1.147 1.00 0.00 C ATOM 114 O ARG A 127 12.093 3.209 -1.107 1.00 0.00 O ATOM 115 CB ARG A 127 14.949 2.571 -2.650 1.00 0.00 C ATOM 116 CG ARG A 127 15.608 2.514 -4.019 1.00 0.00 C ATOM 117 CD ARG A 127 14.580 2.346 -5.127 1.00 0.00 C ATOM 118 NE ARG A 127 15.201 2.250 -6.446 1.00 0.00 N ATOM 119 CZ ARG A 127 16.004 1.254 -6.814 1.00 0.00 C ATOM 120 NH1 ARG A 127 16.270 0.262 -5.974 1.00 0.00 N ATOM 121 NH2 ARG A 127 16.539 1.249 -8.028 1.00 0.00 N ATOM 0 HA ARG A 127 13.253 3.735 -3.282 1.00 0.00 H new ATOM 0 HB2 ARG A 127 15.724 2.631 -1.886 1.00 0.00 H new ATOM 0 HB3 ARG A 127 14.405 1.642 -2.480 1.00 0.00 H new ATOM 0 HG2 ARG A 127 16.179 3.427 -4.187 1.00 0.00 H new ATOM 0 HG3 ARG A 127 16.315 1.685 -4.049 1.00 0.00 H new ATOM 0 HD2 ARG A 127 13.989 1.449 -4.939 1.00 0.00 H new ATOM 0 HD3 ARG A 127 13.891 3.191 -5.112 1.00 0.00 H new ATOM 0 HE ARG A 127 15.008 2.988 -7.123 1.00 0.00 H new ATOM 0 HH11 ARG A 127 15.858 0.260 -5.041 1.00 0.00 H new ATOM 0 HH12 ARG A 127 16.886 -0.498 -6.262 1.00 0.00 H new ATOM 0 HH21 ARG A 127 16.335 2.008 -8.678 1.00 0.00 H new ATOM 0 HH22 ARG A 127 17.154 0.486 -8.311 1.00 0.00 H new ATOM 135 N VAL A 128 13.932 3.973 -0.061 1.00 0.00 N ATOM 136 CA VAL A 128 13.343 3.889 1.271 1.00 0.00 C ATOM 137 C VAL A 128 12.113 4.784 1.399 1.00 0.00 C ATOM 138 O VAL A 128 11.027 4.315 1.731 1.00 0.00 O ATOM 139 CB VAL A 128 14.361 4.282 2.359 1.00 0.00 C ATOM 140 CG1 VAL A 128 13.728 4.213 3.740 1.00 0.00 C ATOM 141 CG2 VAL A 128 15.593 3.391 2.286 1.00 0.00 C ATOM 0 H VAL A 128 14.892 4.317 -0.077 1.00 0.00 H new ATOM 0 HA VAL A 128 13.044 2.850 1.413 1.00 0.00 H new ATOM 0 HB VAL A 128 14.672 5.311 2.180 1.00 0.00 H new ATOM 0 HG11 VAL A 128 14.465 4.494 4.492 1.00 0.00 H new ATOM 0 HG12 VAL A 128 12.882 4.898 3.787 1.00 0.00 H new ATOM 0 HG13 VAL A 128 13.383 3.197 3.932 1.00 0.00 H new ATOM 0 HG21 VAL A 128 16.300 3.684 3.062 1.00 0.00 H new ATOM 0 HG22 VAL A 128 15.300 2.352 2.436 1.00 0.00 H new ATOM 0 HG23 VAL A 128 16.062 3.498 1.308 1.00 0.00 H new ATOM 151 N ALA A 129 12.295 6.074 1.140 1.00 0.00 N ATOM 152 CA ALA A 129 11.204 7.038 1.235 1.00 0.00 C ATOM 153 C ALA A 129 10.059 6.683 0.293 1.00 0.00 C ATOM 154 O ALA A 129 8.888 6.792 0.658 1.00 0.00 O ATOM 155 CB ALA A 129 11.717 8.439 0.944 1.00 0.00 C ATOM 0 H ALA A 129 13.190 6.477 0.862 1.00 0.00 H new ATOM 0 HA ALA A 129 10.815 7.005 2.253 1.00 0.00 H new ATOM 0 HB1 ALA A 129 10.894 9.150 1.018 1.00 0.00 H new ATOM 0 HB2 ALA A 129 12.489 8.701 1.667 1.00 0.00 H new ATOM 0 HB3 ALA A 129 12.136 8.472 -0.062 1.00 0.00 H new ATOM 161 N GLY A 130 10.401 6.268 -0.922 1.00 0.00 N ATOM 162 CA GLY A 130 9.387 5.911 -1.897 1.00 0.00 C ATOM 163 C GLY A 130 8.514 4.756 -1.445 1.00 0.00 C ATOM 164 O GLY A 130 7.289 4.819 -1.540 1.00 0.00 O ATOM 0 H GLY A 130 11.362 6.172 -1.249 1.00 0.00 H new ATOM 0 HA2 GLY A 130 8.758 6.779 -2.094 1.00 0.00 H new ATOM 0 HA3 GLY A 130 9.871 5.648 -2.837 1.00 0.00 H new ATOM 168 N LEU A 131 9.144 3.695 -0.957 1.00 0.00 N ATOM 169 CA LEU A 131 8.413 2.522 -0.495 1.00 0.00 C ATOM 170 C LEU A 131 7.597 2.828 0.759 1.00 0.00 C ATOM 171 O LEU A 131 6.460 2.376 0.894 1.00 0.00 O ATOM 172 CB LEU A 131 9.380 1.366 -0.224 1.00 0.00 C ATOM 173 CG LEU A 131 10.120 0.831 -1.452 1.00 0.00 C ATOM 174 CD1 LEU A 131 11.034 -0.319 -1.060 1.00 0.00 C ATOM 175 CD2 LEU A 131 9.134 0.386 -2.523 1.00 0.00 C ATOM 0 H LEU A 131 10.158 3.622 -0.871 1.00 0.00 H new ATOM 0 HA LEU A 131 7.719 2.232 -1.284 1.00 0.00 H new ATOM 0 HB2 LEU A 131 10.117 1.695 0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 131 8.823 0.546 0.230 1.00 0.00 H new ATOM 0 HG LEU A 131 10.730 1.636 -1.863 1.00 0.00 H new ATOM 0 HD11 LEU A 131 11.553 -0.689 -1.944 1.00 0.00 H new ATOM 0 HD12 LEU A 131 11.764 0.029 -0.329 1.00 0.00 H new ATOM 0 HD13 LEU A 131 10.441 -1.123 -0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 131 9.681 0.009 -3.387 1.00 0.00 H new ATOM 0 HD22 LEU A 131 8.496 -0.403 -2.125 1.00 0.00 H new ATOM 0 HD23 LEU A 131 8.518 1.233 -2.825 1.00 0.00 H new ATOM 187 N GLU A 132 8.187 3.586 1.679 1.00 0.00 N ATOM 188 CA GLU A 132 7.515 3.939 2.927 1.00 0.00 C ATOM 189 C GLU A 132 6.245 4.750 2.677 1.00 0.00 C ATOM 190 O GLU A 132 5.194 4.455 3.247 1.00 0.00 O ATOM 191 CB GLU A 132 8.461 4.719 3.843 1.00 0.00 C ATOM 192 CG GLU A 132 9.658 3.912 4.324 1.00 0.00 C ATOM 193 CD GLU A 132 9.265 2.724 5.184 1.00 0.00 C ATOM 194 OE1 GLU A 132 8.567 1.824 4.674 1.00 0.00 O ATOM 195 OE2 GLU A 132 9.658 2.697 6.369 1.00 0.00 O ATOM 0 H GLU A 132 9.128 3.968 1.584 1.00 0.00 H new ATOM 0 HA GLU A 132 7.228 3.008 3.416 1.00 0.00 H new ATOM 0 HB2 GLU A 132 8.819 5.601 3.312 1.00 0.00 H new ATOM 0 HB3 GLU A 132 7.902 5.073 4.709 1.00 0.00 H new ATOM 0 HG2 GLU A 132 10.221 3.558 3.461 1.00 0.00 H new ATOM 0 HG3 GLU A 132 10.322 4.562 4.893 1.00 0.00 H new ATOM 202 N LYS A 133 6.341 5.774 1.831 1.00 0.00 N ATOM 203 CA LYS A 133 5.185 6.617 1.531 1.00 0.00 C ATOM 204 C LYS A 133 4.055 5.791 0.921 1.00 0.00 C ATOM 205 O LYS A 133 2.890 5.967 1.275 1.00 0.00 O ATOM 206 CB LYS A 133 5.569 7.769 0.596 1.00 0.00 C ATOM 207 CG LYS A 133 6.045 7.323 -0.776 1.00 0.00 C ATOM 208 CD LYS A 133 6.407 8.511 -1.653 1.00 0.00 C ATOM 209 CE LYS A 133 6.854 8.067 -3.036 1.00 0.00 C ATOM 210 NZ LYS A 133 7.251 9.222 -3.888 1.00 0.00 N ATOM 0 H LYS A 133 7.198 6.038 1.345 1.00 0.00 H new ATOM 0 HA LYS A 133 4.833 7.044 2.470 1.00 0.00 H new ATOM 0 HB2 LYS A 133 4.708 8.426 0.474 1.00 0.00 H new ATOM 0 HB3 LYS A 133 6.355 8.359 1.067 1.00 0.00 H new ATOM 0 HG2 LYS A 133 6.912 6.672 -0.668 1.00 0.00 H new ATOM 0 HG3 LYS A 133 5.264 6.736 -1.260 1.00 0.00 H new ATOM 0 HD2 LYS A 133 5.546 9.174 -1.743 1.00 0.00 H new ATOM 0 HD3 LYS A 133 7.203 9.085 -1.179 1.00 0.00 H new ATOM 0 HE2 LYS A 133 7.694 7.379 -2.943 1.00 0.00 H new ATOM 0 HE3 LYS A 133 6.046 7.519 -3.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 7.549 8.877 -4.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 6.442 9.866 -3.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 8.039 9.730 -3.439 1.00 0.00 H new ATOM 224 N GLN A 134 4.407 4.887 0.010 1.00 0.00 N ATOM 225 CA GLN A 134 3.417 4.033 -0.640 1.00 0.00 C ATOM 226 C GLN A 134 2.691 3.166 0.386 1.00 0.00 C ATOM 227 O GLN A 134 1.482 2.961 0.296 1.00 0.00 O ATOM 228 CB GLN A 134 4.087 3.141 -1.685 1.00 0.00 C ATOM 229 CG GLN A 134 4.738 3.912 -2.821 1.00 0.00 C ATOM 230 CD GLN A 134 3.737 4.710 -3.634 1.00 0.00 C ATOM 231 OE1 GLN A 134 3.923 6.024 -3.680 1.00 0.00 O flip ATOM 232 NE2 GLN A 134 2.807 4.151 -4.215 1.00 0.00 N flip ATOM 0 H GLN A 134 5.367 4.727 -0.294 1.00 0.00 H new ATOM 0 HA GLN A 134 2.689 4.677 -1.133 1.00 0.00 H new ATOM 0 HB2 GLN A 134 4.843 2.527 -1.195 1.00 0.00 H new ATOM 0 HB3 GLN A 134 3.343 2.460 -2.099 1.00 0.00 H new ATOM 0 HG2 GLN A 134 5.490 4.588 -2.413 1.00 0.00 H new ATOM 0 HG3 GLN A 134 5.259 3.214 -3.477 1.00 0.00 H new ATOM 0 HE21 GLN A 134 2.702 3.138 -4.153 1.00 0.00 H new ATOM 0 HE22 GLN A 134 2.142 4.700 -4.759 1.00 0.00 H new ATOM 241 N LEU A 135 3.446 2.655 1.352 1.00 0.00 N ATOM 242 CA LEU A 135 2.895 1.800 2.399 1.00 0.00 C ATOM 243 C LEU A 135 1.797 2.519 3.180 1.00 0.00 C ATOM 244 O LEU A 135 0.732 1.957 3.436 1.00 0.00 O ATOM 245 CB LEU A 135 4.028 1.349 3.337 1.00 0.00 C ATOM 246 CG LEU A 135 3.642 0.382 4.467 1.00 0.00 C ATOM 247 CD1 LEU A 135 2.918 1.113 5.588 1.00 0.00 C ATOM 248 CD2 LEU A 135 2.790 -0.761 3.935 1.00 0.00 C ATOM 0 H LEU A 135 4.449 2.819 1.432 1.00 0.00 H new ATOM 0 HA LEU A 135 2.442 0.924 1.935 1.00 0.00 H new ATOM 0 HB2 LEU A 135 4.802 0.876 2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 135 4.473 2.237 3.786 1.00 0.00 H new ATOM 0 HG LEU A 135 4.561 -0.038 4.875 1.00 0.00 H new ATOM 0 HD11 LEU A 135 2.656 0.405 6.374 1.00 0.00 H new ATOM 0 HD12 LEU A 135 3.568 1.886 5.997 1.00 0.00 H new ATOM 0 HD13 LEU A 135 2.010 1.572 5.196 1.00 0.00 H new ATOM 0 HD21 LEU A 135 2.529 -1.432 4.753 1.00 0.00 H new ATOM 0 HD22 LEU A 135 1.879 -0.360 3.491 1.00 0.00 H new ATOM 0 HD23 LEU A 135 3.350 -1.311 3.179 1.00 0.00 H new ATOM 260 N ALA A 136 2.068 3.758 3.565 1.00 0.00 N ATOM 261 CA ALA A 136 1.111 4.552 4.328 1.00 0.00 C ATOM 262 C ALA A 136 -0.132 4.894 3.510 1.00 0.00 C ATOM 263 O ALA A 136 -1.255 4.777 3.996 1.00 0.00 O ATOM 264 CB ALA A 136 1.771 5.825 4.835 1.00 0.00 C ATOM 0 H ALA A 136 2.945 4.238 3.362 1.00 0.00 H new ATOM 0 HA ALA A 136 0.789 3.948 5.176 1.00 0.00 H new ATOM 0 HB1 ALA A 136 1.047 6.409 5.403 1.00 0.00 H new ATOM 0 HB2 ALA A 136 2.613 5.567 5.477 1.00 0.00 H new ATOM 0 HB3 ALA A 136 2.127 6.412 3.989 1.00 0.00 H new ATOM 270 N ILE A 137 0.079 5.333 2.273 1.00 0.00 N ATOM 271 CA ILE A 137 -1.024 5.713 1.396 1.00 0.00 C ATOM 272 C ILE A 137 -1.974 4.548 1.121 1.00 0.00 C ATOM 273 O ILE A 137 -3.192 4.697 1.225 1.00 0.00 O ATOM 274 CB ILE A 137 -0.503 6.261 0.052 1.00 0.00 C ATOM 275 CG1 ILE A 137 0.389 7.483 0.288 1.00 0.00 C ATOM 276 CG2 ILE A 137 -1.667 6.613 -0.865 1.00 0.00 C ATOM 277 CD1 ILE A 137 1.003 8.043 -0.978 1.00 0.00 C ATOM 0 H ILE A 137 1.004 5.435 1.855 1.00 0.00 H new ATOM 0 HA ILE A 137 -1.575 6.492 1.922 1.00 0.00 H new ATOM 0 HB ILE A 137 0.093 5.488 -0.434 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -0.199 8.263 0.772 1.00 0.00 H new ATOM 0 HG13 ILE A 137 1.187 7.211 0.979 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -1.283 6.998 -1.809 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -2.264 5.721 -1.053 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -2.288 7.372 -0.389 1.00 0.00 H new ATOM 0 HD11 ILE A 137 1.621 8.906 -0.732 1.00 0.00 H new ATOM 0 HD12 ILE A 137 1.619 7.279 -1.452 1.00 0.00 H new ATOM 0 HD13 ILE A 137 0.211 8.347 -1.663 1.00 0.00 H new ATOM 289 N GLU A 138 -1.417 3.399 0.755 1.00 0.00 N ATOM 290 CA GLU A 138 -2.228 2.223 0.447 1.00 0.00 C ATOM 291 C GLU A 138 -3.077 1.795 1.640 1.00 0.00 C ATOM 292 O GLU A 138 -4.258 1.481 1.484 1.00 0.00 O ATOM 293 CB GLU A 138 -1.340 1.067 -0.020 1.00 0.00 C ATOM 294 CG GLU A 138 -0.340 0.596 1.021 1.00 0.00 C ATOM 295 CD GLU A 138 0.630 -0.431 0.470 1.00 0.00 C ATOM 296 OE1 GLU A 138 0.515 -0.773 -0.726 1.00 0.00 O ATOM 297 OE2 GLU A 138 1.503 -0.894 1.232 1.00 0.00 O ATOM 0 H GLU A 138 -0.411 3.255 0.664 1.00 0.00 H new ATOM 0 HA GLU A 138 -2.908 2.494 -0.361 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -1.974 0.228 -0.305 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -0.799 1.376 -0.914 1.00 0.00 H new ATOM 0 HG2 GLU A 138 0.218 1.453 1.398 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -0.876 0.167 1.868 1.00 0.00 H new ATOM 304 N LEU A 139 -2.481 1.785 2.828 1.00 0.00 N ATOM 305 CA LEU A 139 -3.206 1.392 4.034 1.00 0.00 C ATOM 306 C LEU A 139 -4.411 2.297 4.266 1.00 0.00 C ATOM 307 O LEU A 139 -5.505 1.821 4.569 1.00 0.00 O ATOM 308 CB LEU A 139 -2.286 1.429 5.257 1.00 0.00 C ATOM 309 CG LEU A 139 -1.163 0.391 5.262 1.00 0.00 C ATOM 310 CD1 LEU A 139 -0.308 0.543 6.510 1.00 0.00 C ATOM 311 CD2 LEU A 139 -1.734 -1.018 5.179 1.00 0.00 C ATOM 0 H LEU A 139 -1.506 2.042 2.983 1.00 0.00 H new ATOM 0 HA LEU A 139 -3.559 0.371 3.889 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -1.841 2.422 5.326 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -2.892 1.288 6.152 1.00 0.00 H new ATOM 0 HG LEU A 139 -0.536 0.559 4.387 1.00 0.00 H new ATOM 0 HD11 LEU A 139 0.487 -0.203 6.499 1.00 0.00 H new ATOM 0 HD12 LEU A 139 0.130 1.541 6.531 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -0.928 0.400 7.395 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -0.919 -1.742 5.184 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -2.384 -1.198 6.035 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -2.308 -1.124 4.259 1.00 0.00 H new ATOM 323 N LYS A 140 -4.205 3.602 4.121 1.00 0.00 N ATOM 324 CA LYS A 140 -5.278 4.572 4.315 1.00 0.00 C ATOM 325 C LYS A 140 -6.427 4.314 3.347 1.00 0.00 C ATOM 326 O LYS A 140 -7.596 4.365 3.730 1.00 0.00 O ATOM 327 CB LYS A 140 -4.751 5.997 4.136 1.00 0.00 C ATOM 328 CG LYS A 140 -3.655 6.368 5.124 1.00 0.00 C ATOM 329 CD LYS A 140 -3.204 7.813 4.959 1.00 0.00 C ATOM 330 CE LYS A 140 -4.253 8.800 5.458 1.00 0.00 C ATOM 331 NZ LYS A 140 -5.497 8.766 4.639 1.00 0.00 N ATOM 0 H LYS A 140 -3.306 4.013 3.870 1.00 0.00 H new ATOM 0 HA LYS A 140 -5.653 4.460 5.332 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -4.368 6.109 3.122 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -5.579 6.698 4.244 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -4.016 6.215 6.141 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -2.802 5.704 4.985 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -2.273 7.967 5.505 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -2.993 8.009 3.908 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -4.498 8.573 6.496 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -3.837 9.808 5.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -5.952 9.701 4.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -5.260 8.518 3.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -6.149 8.055 5.028 1.00 0.00 H new ATOM 345 N VAL A 141 -6.089 4.029 2.092 1.00 0.00 N ATOM 346 CA VAL A 141 -7.097 3.757 1.074 1.00 0.00 C ATOM 347 C VAL A 141 -7.908 2.517 1.435 1.00 0.00 C ATOM 348 O VAL A 141 -9.126 2.486 1.258 1.00 0.00 O ATOM 349 CB VAL A 141 -6.459 3.560 -0.317 1.00 0.00 C ATOM 350 CG1 VAL A 141 -7.531 3.319 -1.370 1.00 0.00 C ATOM 351 CG2 VAL A 141 -5.603 4.761 -0.689 1.00 0.00 C ATOM 0 H VAL A 141 -5.127 3.981 1.757 1.00 0.00 H new ATOM 0 HA VAL A 141 -7.756 4.624 1.036 1.00 0.00 H new ATOM 0 HB VAL A 141 -5.816 2.681 -0.276 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -7.060 3.183 -2.344 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -8.099 2.425 -1.113 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -8.202 4.177 -1.409 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -5.162 4.603 -1.673 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -6.223 5.657 -0.709 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -4.810 4.885 0.048 1.00 0.00 H new ATOM 361 N LYS A 142 -7.223 1.499 1.948 1.00 0.00 N ATOM 362 CA LYS A 142 -7.873 0.254 2.342 1.00 0.00 C ATOM 363 C LYS A 142 -8.900 0.499 3.443 1.00 0.00 C ATOM 364 O LYS A 142 -10.040 0.041 3.354 1.00 0.00 O ATOM 365 CB LYS A 142 -6.829 -0.758 2.821 1.00 0.00 C ATOM 366 CG LYS A 142 -7.426 -2.051 3.352 1.00 0.00 C ATOM 367 CD LYS A 142 -6.347 -3.000 3.846 1.00 0.00 C ATOM 368 CE LYS A 142 -6.946 -4.261 4.449 1.00 0.00 C ATOM 369 NZ LYS A 142 -5.897 -5.183 4.964 1.00 0.00 N ATOM 0 H LYS A 142 -6.215 1.513 2.101 1.00 0.00 H new ATOM 0 HA LYS A 142 -8.391 -0.148 1.471 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -6.157 -0.991 1.995 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -6.225 -0.300 3.604 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -8.116 -1.827 4.166 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -8.006 -2.535 2.566 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -5.690 -3.268 3.018 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -5.731 -2.496 4.591 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -7.621 -3.990 5.261 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -7.543 -4.775 3.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -6.338 -6.072 5.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -5.209 -5.382 4.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -5.410 -4.740 5.769 1.00 0.00 H new ATOM 383 N GLN A 143 -8.488 1.221 4.480 1.00 0.00 N ATOM 384 CA GLN A 143 -9.370 1.527 5.602 1.00 0.00 C ATOM 385 C GLN A 143 -10.576 2.339 5.139 1.00 0.00 C ATOM 386 O GLN A 143 -11.710 2.065 5.533 1.00 0.00 O ATOM 387 CB GLN A 143 -8.604 2.295 6.682 1.00 0.00 C ATOM 388 CG GLN A 143 -9.420 2.561 7.936 1.00 0.00 C ATOM 389 CD GLN A 143 -9.844 1.285 8.637 1.00 0.00 C ATOM 390 OE1 GLN A 143 -9.006 0.491 9.064 1.00 0.00 O ATOM 391 NE2 GLN A 143 -11.150 1.082 8.759 1.00 0.00 N ATOM 0 H GLN A 143 -7.547 1.606 4.567 1.00 0.00 H new ATOM 0 HA GLN A 143 -9.729 0.587 6.020 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -7.711 1.731 6.953 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -8.267 3.246 6.270 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -8.834 3.172 8.623 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -10.306 3.138 7.673 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -11.809 1.767 8.390 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -11.494 0.241 9.222 1.00 0.00 H new ATOM 400 N GLY A 144 -10.320 3.339 4.300 1.00 0.00 N ATOM 401 CA GLY A 144 -11.389 4.179 3.793 1.00 0.00 C ATOM 402 C GLY A 144 -12.415 3.399 2.993 1.00 0.00 C ATOM 403 O GLY A 144 -13.612 3.665 3.082 1.00 0.00 O ATOM 0 H GLY A 144 -9.389 3.582 3.962 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -11.885 4.673 4.628 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -10.964 4.962 3.166 1.00 0.00 H new ATOM 407 N ALA A 145 -11.943 2.432 2.212 1.00 0.00 N ATOM 408 CA ALA A 145 -12.822 1.611 1.396 1.00 0.00 C ATOM 409 C ALA A 145 -13.697 0.726 2.269 1.00 0.00 C ATOM 410 O ALA A 145 -14.886 0.559 2.009 1.00 0.00 O ATOM 411 CB ALA A 145 -12.010 0.767 0.426 1.00 0.00 C ATOM 0 H ALA A 145 -10.953 2.200 2.129 1.00 0.00 H new ATOM 0 HA ALA A 145 -13.472 2.271 0.822 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -12.683 0.158 -0.178 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -11.428 1.419 -0.225 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -11.336 0.118 0.985 1.00 0.00 H new ATOM 417 N GLU A 146 -13.095 0.164 3.311 1.00 0.00 N ATOM 418 CA GLU A 146 -13.814 -0.709 4.235 1.00 0.00 C ATOM 419 C GLU A 146 -14.978 0.027 4.889 1.00 0.00 C ATOM 420 O GLU A 146 -16.079 -0.510 4.999 1.00 0.00 O ATOM 421 CB GLU A 146 -12.869 -1.247 5.311 1.00 0.00 C ATOM 422 CG GLU A 146 -11.747 -2.114 4.761 1.00 0.00 C ATOM 423 CD GLU A 146 -10.817 -2.624 5.845 1.00 0.00 C ATOM 424 OE1 GLU A 146 -11.045 -2.295 7.029 1.00 0.00 O ATOM 425 OE2 GLU A 146 -9.858 -3.352 5.511 1.00 0.00 O ATOM 0 H GLU A 146 -12.110 0.297 3.538 1.00 0.00 H new ATOM 0 HA GLU A 146 -14.212 -1.546 3.661 1.00 0.00 H new ATOM 0 HB2 GLU A 146 -12.435 -0.407 5.854 1.00 0.00 H new ATOM 0 HB3 GLU A 146 -13.445 -1.828 6.031 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -12.177 -2.962 4.228 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -11.172 -1.539 4.035 1.00 0.00 H new ATOM 432 N ASN A 147 -14.728 1.259 5.320 1.00 0.00 N ATOM 433 CA ASN A 147 -15.758 2.066 5.963 1.00 0.00 C ATOM 434 C ASN A 147 -16.928 2.299 5.011 1.00 0.00 C ATOM 435 O ASN A 147 -18.091 2.185 5.400 1.00 0.00 O ATOM 436 CB ASN A 147 -15.175 3.409 6.411 1.00 0.00 C ATOM 437 CG ASN A 147 -16.152 4.244 7.225 1.00 0.00 C ATOM 438 OD1 ASN A 147 -17.307 3.673 7.555 1.00 0.00 O flip ATOM 439 ND2 ASN A 147 -15.864 5.391 7.565 1.00 0.00 N flip ATOM 0 H ASN A 147 -13.822 1.720 5.236 1.00 0.00 H new ATOM 0 HA ASN A 147 -16.121 1.526 6.838 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -14.279 3.229 7.004 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -14.867 3.976 5.532 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -14.968 5.794 7.292 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -16.522 5.939 8.120 1.00 0.00 H new ATOM 446 N MET A 148 -16.610 2.628 3.763 1.00 0.00 N ATOM 447 CA MET A 148 -17.631 2.879 2.752 1.00 0.00 C ATOM 448 C MET A 148 -18.444 1.619 2.462 1.00 0.00 C ATOM 449 O MET A 148 -19.667 1.677 2.334 1.00 0.00 O ATOM 450 CB MET A 148 -16.985 3.389 1.462 1.00 0.00 C ATOM 451 CG MET A 148 -16.140 4.640 1.655 1.00 0.00 C ATOM 452 SD MET A 148 -17.098 6.047 2.250 1.00 0.00 S ATOM 453 CE MET A 148 -18.194 6.325 0.862 1.00 0.00 C ATOM 0 H MET A 148 -15.652 2.727 3.427 1.00 0.00 H new ATOM 0 HA MET A 148 -18.307 3.640 3.142 1.00 0.00 H new ATOM 0 HB2 MET A 148 -16.360 2.600 1.042 1.00 0.00 H new ATOM 0 HB3 MET A 148 -17.767 3.598 0.732 1.00 0.00 H new ATOM 0 HG2 MET A 148 -15.339 4.426 2.363 1.00 0.00 H new ATOM 0 HG3 MET A 148 -15.667 4.903 0.709 1.00 0.00 H new ATOM 0 HE1 MET A 148 -19.023 6.960 1.175 1.00 0.00 H new ATOM 0 HE2 MET A 148 -17.645 6.815 0.058 1.00 0.00 H new ATOM 0 HE3 MET A 148 -18.582 5.370 0.508 1.00 0.00 H new ATOM 463 N ILE A 149 -17.761 0.484 2.356 1.00 0.00 N ATOM 464 CA ILE A 149 -18.425 -0.787 2.076 1.00 0.00 C ATOM 465 C ILE A 149 -19.395 -1.166 3.191 1.00 0.00 C ATOM 466 O ILE A 149 -20.537 -1.542 2.930 1.00 0.00 O ATOM 467 CB ILE A 149 -17.403 -1.927 1.892 1.00 0.00 C ATOM 468 CG1 ILE A 149 -16.486 -1.632 0.704 1.00 0.00 C ATOM 469 CG2 ILE A 149 -18.121 -3.257 1.699 1.00 0.00 C ATOM 470 CD1 ILE A 149 -15.362 -2.633 0.540 1.00 0.00 C ATOM 0 H ILE A 149 -16.748 0.417 2.459 1.00 0.00 H new ATOM 0 HA ILE A 149 -18.981 -0.651 1.148 1.00 0.00 H new ATOM 0 HB ILE A 149 -16.790 -1.995 2.791 1.00 0.00 H new ATOM 0 HG12 ILE A 149 -17.082 -1.615 -0.208 1.00 0.00 H new ATOM 0 HG13 ILE A 149 -16.059 -0.636 0.824 1.00 0.00 H new ATOM 0 HG21 ILE A 149 -17.386 -4.052 1.570 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -18.736 -3.469 2.574 1.00 0.00 H new ATOM 0 HG23 ILE A 149 -18.756 -3.203 0.814 1.00 0.00 H new ATOM 0 HD11 ILE A 149 -14.754 -2.359 -0.322 1.00 0.00 H new ATOM 0 HD12 ILE A 149 -14.742 -2.634 1.436 1.00 0.00 H new ATOM 0 HD13 ILE A 149 -15.780 -3.628 0.388 1.00 0.00 H new ATOM 482 N GLN A 150 -18.932 -1.073 4.434 1.00 0.00 N ATOM 483 CA GLN A 150 -19.758 -1.414 5.587 1.00 0.00 C ATOM 484 C GLN A 150 -20.962 -0.482 5.698 1.00 0.00 C ATOM 485 O GLN A 150 -22.083 -0.930 5.942 1.00 0.00 O ATOM 486 CB GLN A 150 -18.931 -1.347 6.872 1.00 0.00 C ATOM 487 CG GLN A 150 -17.745 -2.298 6.886 1.00 0.00 C ATOM 488 CD GLN A 150 -16.939 -2.206 8.167 1.00 0.00 C ATOM 489 OE1 GLN A 150 -16.402 -1.150 8.501 1.00 0.00 O ATOM 490 NE2 GLN A 150 -16.852 -3.314 8.894 1.00 0.00 N ATOM 0 H GLN A 150 -17.989 -0.764 4.668 1.00 0.00 H new ATOM 0 HA GLN A 150 -20.123 -2.432 5.447 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -18.570 -0.328 7.008 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -19.576 -1.573 7.721 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -18.102 -3.320 6.758 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -17.098 -2.078 6.037 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -17.313 -4.168 8.580 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -16.324 -3.311 9.767 1.00 0.00 H new ATOM 499 N THR A 151 -20.720 0.812 5.528 1.00 0.00 N ATOM 500 CA THR A 151 -21.781 1.811 5.618 1.00 0.00 C ATOM 501 C THR A 151 -22.846 1.602 4.542 1.00 0.00 C ATOM 502 O THR A 151 -24.042 1.590 4.835 1.00 0.00 O ATOM 503 CB THR A 151 -21.214 3.239 5.495 1.00 0.00 C ATOM 504 OG1 THR A 151 -20.275 3.485 6.547 1.00 0.00 O ATOM 505 CG2 THR A 151 -22.327 4.276 5.553 1.00 0.00 C ATOM 0 H THR A 151 -19.797 1.196 5.327 1.00 0.00 H new ATOM 0 HA THR A 151 -22.242 1.689 6.598 1.00 0.00 H new ATOM 0 HB THR A 151 -20.713 3.322 4.531 1.00 0.00 H new ATOM 0 HG1 THR A 151 -19.411 3.084 6.315 1.00 0.00 H new ATOM 0 HG21 THR A 151 -21.899 5.274 5.464 1.00 0.00 H new ATOM 0 HG22 THR A 151 -23.026 4.106 4.734 1.00 0.00 H new ATOM 0 HG23 THR A 151 -22.855 4.191 6.503 1.00 0.00 H new ATOM 513 N TYR A 152 -22.404 1.449 3.298 1.00 0.00 N ATOM 514 CA TYR A 152 -23.319 1.251 2.177 1.00 0.00 C ATOM 515 C TYR A 152 -24.092 -0.056 2.305 1.00 0.00 C ATOM 516 O TYR A 152 -25.299 -0.097 2.065 1.00 0.00 O ATOM 517 CB TYR A 152 -22.554 1.281 0.850 1.00 0.00 C ATOM 518 CG TYR A 152 -22.116 2.667 0.418 1.00 0.00 C ATOM 519 CD1 TYR A 152 -21.734 3.627 1.349 1.00 0.00 C ATOM 520 CD2 TYR A 152 -22.088 3.014 -0.927 1.00 0.00 C ATOM 521 CE1 TYR A 152 -21.336 4.890 0.952 1.00 0.00 C ATOM 522 CE2 TYR A 152 -21.691 4.274 -1.332 1.00 0.00 C ATOM 523 CZ TYR A 152 -21.316 5.207 -0.389 1.00 0.00 C ATOM 524 OH TYR A 152 -20.922 6.463 -0.789 1.00 0.00 O ATOM 0 H TYR A 152 -21.417 1.458 3.039 1.00 0.00 H new ATOM 0 HA TYR A 152 -24.039 2.069 2.194 1.00 0.00 H new ATOM 0 HB2 TYR A 152 -21.674 0.644 0.936 1.00 0.00 H new ATOM 0 HB3 TYR A 152 -23.183 0.851 0.071 1.00 0.00 H new ATOM 0 HD1 TYR A 152 -21.749 3.381 2.401 1.00 0.00 H new ATOM 0 HD2 TYR A 152 -22.382 2.286 -1.669 1.00 0.00 H new ATOM 0 HE1 TYR A 152 -21.043 5.624 1.688 1.00 0.00 H new ATOM 0 HE2 TYR A 152 -21.675 4.527 -2.382 1.00 0.00 H new ATOM 0 HH TYR A 152 -20.963 6.523 -1.766 1.00 0.00 H new ATOM 649 N LYS A 161 -24.441 0.392 -7.033 1.00 0.00 N ATOM 650 CA LYS A 161 -23.408 0.729 -8.007 1.00 0.00 C ATOM 651 C LYS A 161 -22.158 1.260 -7.309 1.00 0.00 C ATOM 652 O LYS A 161 -21.043 0.813 -7.586 1.00 0.00 O ATOM 653 CB LYS A 161 -23.932 1.757 -9.015 1.00 0.00 C ATOM 654 CG LYS A 161 -24.432 3.044 -8.378 1.00 0.00 C ATOM 655 CD LYS A 161 -24.920 4.030 -9.426 1.00 0.00 C ATOM 656 CE LYS A 161 -25.407 5.323 -8.792 1.00 0.00 C ATOM 657 NZ LYS A 161 -24.327 6.010 -8.032 1.00 0.00 N ATOM 0 HA LYS A 161 -23.141 -0.180 -8.546 1.00 0.00 H new ATOM 0 HB2 LYS A 161 -23.137 1.997 -9.721 1.00 0.00 H new ATOM 0 HB3 LYS A 161 -24.743 1.308 -9.589 1.00 0.00 H new ATOM 0 HG2 LYS A 161 -25.242 2.817 -7.685 1.00 0.00 H new ATOM 0 HG3 LYS A 161 -23.631 3.498 -7.795 1.00 0.00 H new ATOM 0 HD2 LYS A 161 -24.113 4.248 -10.125 1.00 0.00 H new ATOM 0 HD3 LYS A 161 -25.728 3.579 -10.002 1.00 0.00 H new ATOM 0 HE2 LYS A 161 -25.784 5.988 -9.569 1.00 0.00 H new ATOM 0 HE3 LYS A 161 -26.241 5.108 -8.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 -24.546 5.982 -7.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 -23.421 5.529 -8.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 -24.258 7.000 -8.344 1.00 0.00 H new ATOM 671 N LEU A 162 -22.351 2.202 -6.392 1.00 0.00 N ATOM 672 CA LEU A 162 -21.240 2.778 -5.646 1.00 0.00 C ATOM 673 C LEU A 162 -20.580 1.717 -4.774 1.00 0.00 C ATOM 674 O LEU A 162 -19.358 1.695 -4.624 1.00 0.00 O ATOM 675 CB LEU A 162 -21.719 3.948 -4.784 1.00 0.00 C ATOM 676 CG LEU A 162 -22.272 5.145 -5.563 1.00 0.00 C ATOM 677 CD1 LEU A 162 -22.732 6.235 -4.608 1.00 0.00 C ATOM 678 CD2 LEU A 162 -21.223 5.687 -6.524 1.00 0.00 C ATOM 0 H LEU A 162 -23.266 2.582 -6.148 1.00 0.00 H new ATOM 0 HA LEU A 162 -20.505 3.152 -6.359 1.00 0.00 H new ATOM 0 HB2 LEU A 162 -22.492 3.587 -4.106 1.00 0.00 H new ATOM 0 HB3 LEU A 162 -20.888 4.289 -4.167 1.00 0.00 H new ATOM 0 HG LEU A 162 -23.131 4.810 -6.144 1.00 0.00 H new ATOM 0 HD11 LEU A 162 -23.122 7.078 -5.179 1.00 0.00 H new ATOM 0 HD12 LEU A 162 -23.515 5.843 -3.959 1.00 0.00 H new ATOM 0 HD13 LEU A 162 -21.889 6.566 -4.001 1.00 0.00 H new ATOM 0 HD21 LEU A 162 -21.633 6.537 -7.069 1.00 0.00 H new ATOM 0 HD22 LEU A 162 -20.345 6.006 -5.962 1.00 0.00 H new ATOM 0 HD23 LEU A 162 -20.938 4.907 -7.230 1.00 0.00 H new ATOM 690 N LEU A 163 -21.399 0.835 -4.209 1.00 0.00 N ATOM 691 CA LEU A 163 -20.901 -0.238 -3.358 1.00 0.00 C ATOM 692 C LEU A 163 -19.914 -1.111 -4.125 1.00 0.00 C ATOM 693 O LEU A 163 -18.866 -1.489 -3.600 1.00 0.00 O ATOM 694 CB LEU A 163 -22.063 -1.089 -2.835 1.00 0.00 C ATOM 695 CG LEU A 163 -21.659 -2.268 -1.948 1.00 0.00 C ATOM 696 CD1 LEU A 163 -21.005 -1.773 -0.667 1.00 0.00 C ATOM 697 CD2 LEU A 163 -22.867 -3.136 -1.632 1.00 0.00 C ATOM 0 H LEU A 163 -22.412 0.843 -4.326 1.00 0.00 H new ATOM 0 HA LEU A 163 -20.385 0.208 -2.508 1.00 0.00 H new ATOM 0 HB2 LEU A 163 -22.739 -0.446 -2.271 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -22.624 -1.472 -3.687 1.00 0.00 H new ATOM 0 HG LEU A 163 -20.934 -2.874 -2.491 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -20.724 -2.626 -0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -20.115 -1.195 -0.913 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -21.707 -1.143 -0.120 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -22.561 -3.970 -1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -23.616 -2.541 -1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -23.291 -3.520 -2.559 1.00 0.00 H new ATOM 709 N LEU A 164 -20.251 -1.419 -5.374 1.00 0.00 N ATOM 710 CA LEU A 164 -19.390 -2.237 -6.220 1.00 0.00 C ATOM 711 C LEU A 164 -18.060 -1.533 -6.463 1.00 0.00 C ATOM 712 O LEU A 164 -17.004 -2.164 -6.486 1.00 0.00 O ATOM 713 CB LEU A 164 -20.076 -2.532 -7.556 1.00 0.00 C ATOM 714 CG LEU A 164 -21.432 -3.238 -7.455 1.00 0.00 C ATOM 715 CD1 LEU A 164 -22.031 -3.437 -8.838 1.00 0.00 C ATOM 716 CD2 LEU A 164 -21.290 -4.573 -6.738 1.00 0.00 C ATOM 0 H LEU A 164 -21.115 -1.114 -5.822 1.00 0.00 H new ATOM 0 HA LEU A 164 -19.201 -3.180 -5.707 1.00 0.00 H new ATOM 0 HB2 LEU A 164 -20.214 -1.592 -8.090 1.00 0.00 H new ATOM 0 HB3 LEU A 164 -19.409 -3.147 -8.160 1.00 0.00 H new ATOM 0 HG LEU A 164 -22.105 -2.608 -6.874 1.00 0.00 H new ATOM 0 HD11 LEU A 164 -22.994 -3.940 -8.749 1.00 0.00 H new ATOM 0 HD12 LEU A 164 -22.171 -2.468 -9.317 1.00 0.00 H new ATOM 0 HD13 LEU A 164 -21.358 -4.046 -9.442 1.00 0.00 H new ATOM 0 HD21 LEU A 164 -22.264 -5.058 -6.677 1.00 0.00 H new ATOM 0 HD22 LEU A 164 -20.601 -5.211 -7.291 1.00 0.00 H new ATOM 0 HD23 LEU A 164 -20.904 -4.407 -5.732 1.00 0.00 H new ATOM 728 N THR A 165 -18.120 -0.219 -6.642 1.00 0.00 N ATOM 729 CA THR A 165 -16.920 0.573 -6.878 1.00 0.00 C ATOM 730 C THR A 165 -16.008 0.558 -5.653 1.00 0.00 C ATOM 731 O THR A 165 -14.789 0.448 -5.775 1.00 0.00 O ATOM 732 CB THR A 165 -17.269 2.032 -7.232 1.00 0.00 C ATOM 733 OG1 THR A 165 -18.114 2.064 -8.389 1.00 0.00 O ATOM 734 CG2 THR A 165 -16.010 2.844 -7.501 1.00 0.00 C ATOM 0 H THR A 165 -18.986 0.320 -6.628 1.00 0.00 H new ATOM 0 HA THR A 165 -16.399 0.121 -7.722 1.00 0.00 H new ATOM 0 HB THR A 165 -17.791 2.472 -6.383 1.00 0.00 H new ATOM 0 HG1 THR A 165 -18.987 1.677 -8.168 1.00 0.00 H new ATOM 0 HG21 THR A 165 -16.284 3.869 -7.748 1.00 0.00 H new ATOM 0 HG22 THR A 165 -15.379 2.842 -6.612 1.00 0.00 H new ATOM 0 HG23 THR A 165 -15.464 2.403 -8.335 1.00 0.00 H new ATOM 742 N ALA A 166 -16.611 0.675 -4.472 1.00 0.00 N ATOM 743 CA ALA A 166 -15.859 0.680 -3.221 1.00 0.00 C ATOM 744 C ALA A 166 -15.186 -0.665 -2.965 1.00 0.00 C ATOM 745 O ALA A 166 -13.998 -0.720 -2.650 1.00 0.00 O ATOM 746 CB ALA A 166 -16.773 1.045 -2.060 1.00 0.00 C ATOM 0 H ALA A 166 -17.620 0.768 -4.356 1.00 0.00 H new ATOM 0 HA ALA A 166 -15.074 1.431 -3.307 1.00 0.00 H new ATOM 0 HB1 ALA A 166 -16.201 1.045 -1.132 1.00 0.00 H new ATOM 0 HB2 ALA A 166 -17.195 2.036 -2.227 1.00 0.00 H new ATOM 0 HB3 ALA A 166 -17.579 0.315 -1.988 1.00 0.00 H new ATOM 752 N GLN A 167 -15.948 -1.748 -3.100 1.00 0.00 N ATOM 753 CA GLN A 167 -15.411 -3.086 -2.882 1.00 0.00 C ATOM 754 C GLN A 167 -14.240 -3.338 -3.820 1.00 0.00 C ATOM 755 O GLN A 167 -13.240 -3.944 -3.435 1.00 0.00 O ATOM 756 CB GLN A 167 -16.497 -4.150 -3.081 1.00 0.00 C ATOM 757 CG GLN A 167 -17.006 -4.255 -4.508 1.00 0.00 C ATOM 758 CD GLN A 167 -18.075 -5.320 -4.684 1.00 0.00 C ATOM 759 OE1 GLN A 167 -18.555 -5.550 -5.794 1.00 0.00 O ATOM 760 NE2 GLN A 167 -18.458 -5.974 -3.591 1.00 0.00 N ATOM 0 H GLN A 167 -16.935 -1.724 -3.358 1.00 0.00 H new ATOM 0 HA GLN A 167 -15.058 -3.153 -1.853 1.00 0.00 H new ATOM 0 HB2 GLN A 167 -16.102 -5.119 -2.775 1.00 0.00 H new ATOM 0 HB3 GLN A 167 -17.336 -3.925 -2.423 1.00 0.00 H new ATOM 0 HG2 GLN A 167 -17.409 -3.290 -4.815 1.00 0.00 H new ATOM 0 HG3 GLN A 167 -16.169 -4.476 -5.170 1.00 0.00 H new ATOM 0 HE21 GLN A 167 -18.035 -5.753 -2.690 1.00 0.00 H new ATOM 0 HE22 GLN A 167 -19.175 -6.697 -3.654 1.00 0.00 H new ATOM 769 N GLN A 168 -14.365 -2.849 -5.050 1.00 0.00 N ATOM 770 CA GLN A 168 -13.311 -3.001 -6.043 1.00 0.00 C ATOM 771 C GLN A 168 -12.054 -2.275 -5.578 1.00 0.00 C ATOM 772 O GLN A 168 -10.939 -2.773 -5.740 1.00 0.00 O ATOM 773 CB GLN A 168 -13.769 -2.451 -7.396 1.00 0.00 C ATOM 774 CG GLN A 168 -12.734 -2.602 -8.500 1.00 0.00 C ATOM 775 CD GLN A 168 -13.217 -2.056 -9.830 1.00 0.00 C ATOM 776 OE1 GLN A 168 -13.537 -0.874 -9.949 1.00 0.00 O ATOM 777 NE2 GLN A 168 -13.273 -2.920 -10.837 1.00 0.00 N ATOM 0 H GLN A 168 -15.187 -2.344 -5.381 1.00 0.00 H new ATOM 0 HA GLN A 168 -13.087 -4.061 -6.159 1.00 0.00 H new ATOM 0 HB2 GLN A 168 -14.684 -2.963 -7.695 1.00 0.00 H new ATOM 0 HB3 GLN A 168 -14.016 -1.395 -7.284 1.00 0.00 H new ATOM 0 HG2 GLN A 168 -11.820 -2.084 -8.209 1.00 0.00 H new ATOM 0 HG3 GLN A 168 -12.481 -3.656 -8.614 1.00 0.00 H new ATOM 0 HE21 GLN A 168 -12.997 -3.891 -10.692 1.00 0.00 H new ATOM 0 HE22 GLN A 168 -13.592 -2.612 -11.756 1.00 0.00 H new ATOM 786 N MET A 169 -12.248 -1.098 -4.987 1.00 0.00 N ATOM 787 CA MET A 169 -11.138 -0.300 -4.481 1.00 0.00 C ATOM 788 C MET A 169 -10.384 -1.051 -3.392 1.00 0.00 C ATOM 789 O MET A 169 -9.154 -1.090 -3.388 1.00 0.00 O ATOM 790 CB MET A 169 -11.646 1.024 -3.915 1.00 0.00 C ATOM 791 CG MET A 169 -12.172 1.988 -4.963 1.00 0.00 C ATOM 792 SD MET A 169 -12.815 3.505 -4.230 1.00 0.00 S ATOM 793 CE MET A 169 -11.439 3.978 -3.183 1.00 0.00 C ATOM 0 H MET A 169 -13.166 -0.677 -4.847 1.00 0.00 H new ATOM 0 HA MET A 169 -10.463 -0.104 -5.314 1.00 0.00 H new ATOM 0 HB2 MET A 169 -12.439 0.818 -3.196 1.00 0.00 H new ATOM 0 HB3 MET A 169 -10.836 1.507 -3.367 1.00 0.00 H new ATOM 0 HG2 MET A 169 -11.372 2.234 -5.662 1.00 0.00 H new ATOM 0 HG3 MET A 169 -12.960 1.502 -5.539 1.00 0.00 H new ATOM 0 HE1 MET A 169 -11.513 5.039 -2.942 1.00 0.00 H new ATOM 0 HE2 MET A 169 -11.465 3.394 -2.263 1.00 0.00 H new ATOM 0 HE3 MET A 169 -10.502 3.789 -3.706 1.00 0.00 H new ATOM 803 N LEU A 170 -11.132 -1.632 -2.459 1.00 0.00 N ATOM 804 CA LEU A 170 -10.535 -2.370 -1.353 1.00 0.00 C ATOM 805 C LEU A 170 -9.635 -3.495 -1.859 1.00 0.00 C ATOM 806 O LEU A 170 -8.518 -3.669 -1.375 1.00 0.00 O ATOM 807 CB LEU A 170 -11.623 -2.943 -0.442 1.00 0.00 C ATOM 808 CG LEU A 170 -11.109 -3.697 0.787 1.00 0.00 C ATOM 809 CD1 LEU A 170 -10.283 -2.778 1.671 1.00 0.00 C ATOM 810 CD2 LEU A 170 -12.267 -4.291 1.574 1.00 0.00 C ATOM 0 H LEU A 170 -12.152 -1.606 -2.447 1.00 0.00 H new ATOM 0 HA LEU A 170 -9.922 -1.672 -0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 170 -12.262 -2.126 -0.107 1.00 0.00 H new ATOM 0 HB3 LEU A 170 -12.248 -3.617 -1.028 1.00 0.00 H new ATOM 0 HG LEU A 170 -10.471 -4.512 0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 170 -9.927 -3.332 2.539 1.00 0.00 H new ATOM 0 HD12 LEU A 170 -9.430 -2.400 1.107 1.00 0.00 H new ATOM 0 HD13 LEU A 170 -10.899 -1.942 2.002 1.00 0.00 H new ATOM 0 HD21 LEU A 170 -11.881 -4.823 2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 170 -12.931 -3.492 1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 170 -12.820 -4.985 0.940 1.00 0.00 H new ATOM 822 N GLN A 171 -10.129 -4.255 -2.830 1.00 0.00 N ATOM 823 CA GLN A 171 -9.365 -5.364 -3.395 1.00 0.00 C ATOM 824 C GLN A 171 -8.067 -4.873 -4.026 1.00 0.00 C ATOM 825 O GLN A 171 -7.000 -5.445 -3.801 1.00 0.00 O ATOM 826 CB GLN A 171 -10.201 -6.109 -4.438 1.00 0.00 C ATOM 827 CG GLN A 171 -11.476 -6.716 -3.876 1.00 0.00 C ATOM 828 CD GLN A 171 -12.295 -7.457 -4.921 1.00 0.00 C ATOM 829 OE1 GLN A 171 -11.820 -7.469 -6.164 1.00 0.00 O flip ATOM 830 NE2 GLN A 171 -13.348 -8.015 -4.613 1.00 0.00 N flip ATOM 0 H GLN A 171 -11.053 -4.125 -3.242 1.00 0.00 H new ATOM 0 HA GLN A 171 -9.115 -6.046 -2.582 1.00 0.00 H new ATOM 0 HB2 GLN A 171 -10.460 -5.421 -5.242 1.00 0.00 H new ATOM 0 HB3 GLN A 171 -9.595 -6.901 -4.879 1.00 0.00 H new ATOM 0 HG2 GLN A 171 -11.219 -7.403 -3.070 1.00 0.00 H new ATOM 0 HG3 GLN A 171 -12.086 -5.925 -3.439 1.00 0.00 H new ATOM 0 HE21 GLN A 171 -13.679 -7.983 -3.649 1.00 0.00 H new ATOM 0 HE22 GLN A 171 -13.890 -8.509 -5.322 1.00 0.00 H new ATOM 839 N ASP A 172 -8.166 -3.812 -4.821 1.00 0.00 N ATOM 840 CA ASP A 172 -7.003 -3.242 -5.490 1.00 0.00 C ATOM 841 C ASP A 172 -5.971 -2.754 -4.477 1.00 0.00 C ATOM 842 O ASP A 172 -4.769 -2.957 -4.652 1.00 0.00 O ATOM 843 CB ASP A 172 -7.432 -2.086 -6.398 1.00 0.00 C ATOM 844 CG ASP A 172 -6.272 -1.488 -7.176 1.00 0.00 C ATOM 845 OD1 ASP A 172 -5.329 -0.975 -6.538 1.00 0.00 O ATOM 846 OD2 ASP A 172 -6.310 -1.533 -8.423 1.00 0.00 O ATOM 0 H ASP A 172 -9.043 -3.329 -5.018 1.00 0.00 H new ATOM 0 HA ASP A 172 -6.544 -4.023 -6.095 1.00 0.00 H new ATOM 0 HB2 ASP A 172 -8.189 -2.441 -7.098 1.00 0.00 H new ATOM 0 HB3 ASP A 172 -7.897 -1.308 -5.793 1.00 0.00 H new ATOM 851 N SER A 173 -6.449 -2.103 -3.422 1.00 0.00 N ATOM 852 CA SER A 173 -5.573 -1.577 -2.382 1.00 0.00 C ATOM 853 C SER A 173 -4.816 -2.696 -1.672 1.00 0.00 C ATOM 854 O SER A 173 -3.598 -2.628 -1.516 1.00 0.00 O ATOM 855 CB SER A 173 -6.385 -0.771 -1.367 1.00 0.00 C ATOM 856 OG SER A 173 -7.046 0.316 -1.990 1.00 0.00 O ATOM 0 H SER A 173 -7.441 -1.927 -3.265 1.00 0.00 H new ATOM 0 HA SER A 173 -4.842 -0.925 -2.860 1.00 0.00 H new ATOM 0 HB2 SER A 173 -7.118 -1.419 -0.886 1.00 0.00 H new ATOM 0 HB3 SER A 173 -5.726 -0.399 -0.583 1.00 0.00 H new ATOM 0 HG SER A 173 -7.803 -0.019 -2.515 1.00 0.00 H new ATOM 862 N LYS A 174 -5.546 -3.721 -1.242 1.00 0.00 N ATOM 863 CA LYS A 174 -4.942 -4.851 -0.542 1.00 0.00 C ATOM 864 C LYS A 174 -3.853 -5.501 -1.390 1.00 0.00 C ATOM 865 O LYS A 174 -2.780 -5.836 -0.886 1.00 0.00 O ATOM 866 CB LYS A 174 -6.009 -5.885 -0.179 1.00 0.00 C ATOM 867 CG LYS A 174 -7.099 -5.343 0.734 1.00 0.00 C ATOM 868 CD LYS A 174 -8.142 -6.404 1.053 1.00 0.00 C ATOM 869 CE LYS A 174 -7.545 -7.568 1.828 1.00 0.00 C ATOM 870 NZ LYS A 174 -6.984 -7.135 3.138 1.00 0.00 N ATOM 0 H LYS A 174 -6.556 -3.793 -1.366 1.00 0.00 H new ATOM 0 HA LYS A 174 -4.486 -4.474 0.374 1.00 0.00 H new ATOM 0 HB2 LYS A 174 -6.467 -6.259 -1.095 1.00 0.00 H new ATOM 0 HB3 LYS A 174 -5.529 -6.734 0.307 1.00 0.00 H new ATOM 0 HG2 LYS A 174 -6.652 -4.981 1.660 1.00 0.00 H new ATOM 0 HG3 LYS A 174 -7.582 -4.489 0.258 1.00 0.00 H new ATOM 0 HD2 LYS A 174 -8.949 -5.957 1.633 1.00 0.00 H new ATOM 0 HD3 LYS A 174 -8.581 -6.772 0.126 1.00 0.00 H new ATOM 0 HE2 LYS A 174 -8.312 -8.325 1.994 1.00 0.00 H new ATOM 0 HE3 LYS A 174 -6.760 -8.035 1.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 174 -6.648 -7.967 3.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 174 -6.190 -6.483 2.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 174 -7.722 -6.652 3.689 1.00 0.00 H new ATOM 884 N THR A 175 -4.133 -5.675 -2.677 1.00 0.00 N ATOM 885 CA THR A 175 -3.174 -6.283 -3.591 1.00 0.00 C ATOM 886 C THR A 175 -1.875 -5.482 -3.631 1.00 0.00 C ATOM 887 O THR A 175 -0.785 -6.045 -3.530 1.00 0.00 O ATOM 888 CB THR A 175 -3.745 -6.391 -5.018 1.00 0.00 C ATOM 889 OG1 THR A 175 -4.938 -7.185 -5.010 1.00 0.00 O ATOM 890 CG2 THR A 175 -2.728 -7.011 -5.966 1.00 0.00 C ATOM 0 H THR A 175 -5.016 -5.404 -3.110 1.00 0.00 H new ATOM 0 HA THR A 175 -2.970 -7.286 -3.217 1.00 0.00 H new ATOM 0 HB THR A 175 -3.978 -5.385 -5.367 1.00 0.00 H new ATOM 0 HG1 THR A 175 -5.672 -6.668 -4.617 1.00 0.00 H new ATOM 0 HG21 THR A 175 -3.156 -7.076 -6.966 1.00 0.00 H new ATOM 0 HG22 THR A 175 -1.832 -6.391 -5.994 1.00 0.00 H new ATOM 0 HG23 THR A 175 -2.467 -8.010 -5.617 1.00 0.00 H new ATOM 898 N LYS A 176 -2.003 -4.166 -3.771 1.00 0.00 N ATOM 899 CA LYS A 176 -0.840 -3.285 -3.818 1.00 0.00 C ATOM 900 C LYS A 176 -0.001 -3.425 -2.554 1.00 0.00 C ATOM 901 O LYS A 176 1.227 -3.426 -2.611 1.00 0.00 O ATOM 902 CB LYS A 176 -1.279 -1.829 -3.998 1.00 0.00 C ATOM 903 CG LYS A 176 -1.969 -1.556 -5.326 1.00 0.00 C ATOM 904 CD LYS A 176 -1.036 -1.797 -6.502 1.00 0.00 C ATOM 905 CE LYS A 176 -1.713 -1.483 -7.826 1.00 0.00 C ATOM 906 NZ LYS A 176 -2.914 -2.335 -8.053 1.00 0.00 N ATOM 0 H LYS A 176 -2.899 -3.686 -3.854 1.00 0.00 H new ATOM 0 HA LYS A 176 -0.229 -3.578 -4.672 1.00 0.00 H new ATOM 0 HB2 LYS A 176 -1.955 -1.560 -3.186 1.00 0.00 H new ATOM 0 HB3 LYS A 176 -0.405 -1.183 -3.913 1.00 0.00 H new ATOM 0 HG2 LYS A 176 -2.846 -2.197 -5.419 1.00 0.00 H new ATOM 0 HG3 LYS A 176 -2.323 -0.525 -5.347 1.00 0.00 H new ATOM 0 HD2 LYS A 176 -0.145 -1.179 -6.393 1.00 0.00 H new ATOM 0 HD3 LYS A 176 -0.706 -2.836 -6.499 1.00 0.00 H new ATOM 0 HE2 LYS A 176 -2.004 -0.433 -7.844 1.00 0.00 H new ATOM 0 HE3 LYS A 176 -1.004 -1.631 -8.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 176 -3.176 -2.305 -9.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 176 -2.701 -3.316 -7.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 176 -3.705 -1.980 -7.479 1.00 0.00 H new ATOM 920 N ILE A 177 -0.672 -3.540 -1.413 1.00 0.00 N ATOM 921 CA ILE A 177 0.013 -3.680 -0.135 1.00 0.00 C ATOM 922 C ILE A 177 0.896 -4.924 -0.114 1.00 0.00 C ATOM 923 O ILE A 177 2.003 -4.898 0.421 1.00 0.00 O ATOM 924 CB ILE A 177 -0.987 -3.743 1.037 1.00 0.00 C ATOM 925 CG1 ILE A 177 -1.866 -2.489 1.042 1.00 0.00 C ATOM 926 CG2 ILE A 177 -0.246 -3.887 2.361 1.00 0.00 C ATOM 927 CD1 ILE A 177 -2.855 -2.431 2.187 1.00 0.00 C ATOM 0 H ILE A 177 -1.690 -3.539 -1.348 1.00 0.00 H new ATOM 0 HA ILE A 177 0.640 -2.797 -0.015 1.00 0.00 H new ATOM 0 HB ILE A 177 -1.627 -4.616 0.909 1.00 0.00 H new ATOM 0 HG12 ILE A 177 -1.224 -1.609 1.086 1.00 0.00 H new ATOM 0 HG13 ILE A 177 -2.413 -2.438 0.101 1.00 0.00 H new ATOM 0 HG21 ILE A 177 -0.966 -3.930 3.178 1.00 0.00 H new ATOM 0 HG22 ILE A 177 0.345 -4.803 2.349 1.00 0.00 H new ATOM 0 HG23 ILE A 177 0.414 -3.031 2.504 1.00 0.00 H new ATOM 0 HD11 ILE A 177 -3.438 -1.513 2.118 1.00 0.00 H new ATOM 0 HD12 ILE A 177 -3.523 -3.290 2.134 1.00 0.00 H new ATOM 0 HD13 ILE A 177 -2.316 -2.448 3.134 1.00 0.00 H new ATOM 939 N ASP A 178 0.399 -6.011 -0.694 1.00 0.00 N ATOM 940 CA ASP A 178 1.145 -7.266 -0.735 1.00 0.00 C ATOM 941 C ASP A 178 2.447 -7.112 -1.521 1.00 0.00 C ATOM 942 O ASP A 178 3.527 -7.442 -1.025 1.00 0.00 O ATOM 943 CB ASP A 178 0.288 -8.370 -1.361 1.00 0.00 C ATOM 944 CG ASP A 178 0.974 -9.724 -1.347 1.00 0.00 C ATOM 945 OD1 ASP A 178 2.105 -9.816 -0.824 1.00 0.00 O ATOM 946 OD2 ASP A 178 0.376 -10.696 -1.855 1.00 0.00 O ATOM 0 H ASP A 178 -0.516 -6.050 -1.142 1.00 0.00 H new ATOM 0 HA ASP A 178 1.395 -7.540 0.290 1.00 0.00 H new ATOM 0 HB2 ASP A 178 -0.657 -8.440 -0.822 1.00 0.00 H new ATOM 0 HB3 ASP A 178 0.049 -8.099 -2.389 1.00 0.00 H new ATOM 951 N ILE A 179 2.342 -6.609 -2.749 1.00 0.00 N ATOM 952 CA ILE A 179 3.515 -6.420 -3.596 1.00 0.00 C ATOM 953 C ILE A 179 4.488 -5.423 -2.972 1.00 0.00 C ATOM 954 O ILE A 179 5.658 -5.741 -2.754 1.00 0.00 O ATOM 955 CB ILE A 179 3.130 -5.942 -5.017 1.00 0.00 C ATOM 956 CG1 ILE A 179 2.495 -7.080 -5.827 1.00 0.00 C ATOM 957 CG2 ILE A 179 4.349 -5.394 -5.748 1.00 0.00 C ATOM 958 CD1 ILE A 179 1.145 -7.532 -5.310 1.00 0.00 C ATOM 0 H ILE A 179 1.460 -6.326 -3.177 1.00 0.00 H new ATOM 0 HA ILE A 179 4.000 -7.393 -3.679 1.00 0.00 H new ATOM 0 HB ILE A 179 2.396 -5.143 -4.913 1.00 0.00 H new ATOM 0 HG12 ILE A 179 2.385 -6.757 -6.862 1.00 0.00 H new ATOM 0 HG13 ILE A 179 3.175 -7.932 -5.829 1.00 0.00 H new ATOM 0 HG21 ILE A 179 4.057 -5.063 -6.745 1.00 0.00 H new ATOM 0 HG22 ILE A 179 4.759 -4.551 -5.191 1.00 0.00 H new ATOM 0 HG23 ILE A 179 5.105 -6.175 -5.832 1.00 0.00 H new ATOM 0 HD11 ILE A 179 0.766 -8.338 -5.938 1.00 0.00 H new ATOM 0 HD12 ILE A 179 1.249 -7.889 -4.285 1.00 0.00 H new ATOM 0 HD13 ILE A 179 0.447 -6.695 -5.334 1.00 0.00 H new ATOM 970 N ILE A 180 3.998 -4.221 -2.682 1.00 0.00 N ATOM 971 CA ILE A 180 4.831 -3.187 -2.082 1.00 0.00 C ATOM 972 C ILE A 180 5.523 -3.714 -0.831 1.00 0.00 C ATOM 973 O ILE A 180 6.698 -3.430 -0.600 1.00 0.00 O ATOM 974 CB ILE A 180 4.017 -1.924 -1.732 1.00 0.00 C ATOM 975 CG1 ILE A 180 3.433 -1.304 -3.004 1.00 0.00 C ATOM 976 CG2 ILE A 180 4.890 -0.915 -0.995 1.00 0.00 C ATOM 977 CD1 ILE A 180 2.607 -0.060 -2.752 1.00 0.00 C ATOM 0 H ILE A 180 3.032 -3.941 -2.852 1.00 0.00 H new ATOM 0 HA ILE A 180 5.582 -2.911 -2.822 1.00 0.00 H new ATOM 0 HB ILE A 180 3.195 -2.208 -1.075 1.00 0.00 H new ATOM 0 HG12 ILE A 180 4.248 -1.056 -3.684 1.00 0.00 H new ATOM 0 HG13 ILE A 180 2.812 -2.046 -3.507 1.00 0.00 H new ATOM 0 HG21 ILE A 180 4.300 -0.030 -0.756 1.00 0.00 H new ATOM 0 HG22 ILE A 180 5.264 -1.362 -0.074 1.00 0.00 H new ATOM 0 HG23 ILE A 180 5.731 -0.631 -1.628 1.00 0.00 H new ATOM 0 HD11 ILE A 180 2.227 0.322 -3.699 1.00 0.00 H new ATOM 0 HD12 ILE A 180 1.770 -0.305 -2.098 1.00 0.00 H new ATOM 0 HD13 ILE A 180 3.228 0.699 -2.277 1.00 0.00 H new ATOM 989 N ARG A 181 4.793 -4.495 -0.037 1.00 0.00 N ATOM 990 CA ARG A 181 5.348 -5.073 1.182 1.00 0.00 C ATOM 991 C ARG A 181 6.617 -5.851 0.861 1.00 0.00 C ATOM 992 O ARG A 181 7.624 -5.740 1.563 1.00 0.00 O ATOM 993 CB ARG A 181 4.325 -5.994 1.853 1.00 0.00 C ATOM 994 CG ARG A 181 4.803 -6.583 3.172 1.00 0.00 C ATOM 995 CD ARG A 181 5.015 -5.505 4.224 1.00 0.00 C ATOM 996 NE ARG A 181 3.782 -4.782 4.529 1.00 0.00 N ATOM 997 CZ ARG A 181 2.707 -5.345 5.076 1.00 0.00 C ATOM 998 NH1 ARG A 181 2.712 -6.633 5.392 1.00 0.00 N ATOM 999 NH2 ARG A 181 1.625 -4.616 5.310 1.00 0.00 N ATOM 0 H ARG A 181 3.819 -4.741 -0.216 1.00 0.00 H new ATOM 0 HA ARG A 181 5.591 -4.263 1.870 1.00 0.00 H new ATOM 0 HB2 ARG A 181 3.406 -5.435 2.027 1.00 0.00 H new ATOM 0 HB3 ARG A 181 4.079 -6.807 1.170 1.00 0.00 H new ATOM 0 HG2 ARG A 181 4.072 -7.306 3.534 1.00 0.00 H new ATOM 0 HG3 ARG A 181 5.735 -7.124 3.012 1.00 0.00 H new ATOM 0 HD2 ARG A 181 5.402 -5.960 5.136 1.00 0.00 H new ATOM 0 HD3 ARG A 181 5.770 -4.801 3.874 1.00 0.00 H new ATOM 0 HE ARG A 181 3.743 -3.787 4.310 1.00 0.00 H new ATOM 0 HH11 ARG A 181 3.543 -7.198 5.216 1.00 0.00 H new ATOM 0 HH12 ARG A 181 1.885 -7.059 5.811 1.00 0.00 H new ATOM 0 HH21 ARG A 181 1.617 -3.624 5.071 1.00 0.00 H new ATOM 0 HH22 ARG A 181 0.801 -5.047 5.729 1.00 0.00 H new ATOM 1013 N MET A 182 6.562 -6.632 -0.215 1.00 0.00 N ATOM 1014 CA MET A 182 7.709 -7.422 -0.644 1.00 0.00 C ATOM 1015 C MET A 182 8.914 -6.521 -0.892 1.00 0.00 C ATOM 1016 O MET A 182 10.032 -6.837 -0.486 1.00 0.00 O ATOM 1017 CB MET A 182 7.372 -8.210 -1.910 1.00 0.00 C ATOM 1018 CG MET A 182 6.228 -9.194 -1.726 1.00 0.00 C ATOM 1019 SD MET A 182 6.562 -10.412 -0.440 1.00 0.00 S ATOM 1020 CE MET A 182 8.065 -11.157 -1.063 1.00 0.00 C ATOM 0 H MET A 182 5.736 -6.734 -0.804 1.00 0.00 H new ATOM 0 HA MET A 182 7.957 -8.126 0.150 1.00 0.00 H new ATOM 0 HB2 MET A 182 7.115 -7.511 -2.706 1.00 0.00 H new ATOM 0 HB3 MET A 182 8.259 -8.753 -2.237 1.00 0.00 H new ATOM 0 HG2 MET A 182 5.319 -8.646 -1.476 1.00 0.00 H new ATOM 0 HG3 MET A 182 6.041 -9.708 -2.669 1.00 0.00 H new ATOM 0 HE1 MET A 182 8.225 -12.117 -0.573 1.00 0.00 H new ATOM 0 HE2 MET A 182 7.977 -11.309 -2.139 1.00 0.00 H new ATOM 0 HE3 MET A 182 8.910 -10.499 -0.857 1.00 0.00 H new ATOM 1030 N GLN A 183 8.676 -5.393 -1.555 1.00 0.00 N ATOM 1031 CA GLN A 183 9.745 -4.443 -1.846 1.00 0.00 C ATOM 1032 C GLN A 183 10.272 -3.793 -0.568 1.00 0.00 C ATOM 1033 O GLN A 183 11.452 -3.459 -0.479 1.00 0.00 O ATOM 1034 CB GLN A 183 9.270 -3.365 -2.825 1.00 0.00 C ATOM 1035 CG GLN A 183 9.331 -3.795 -4.283 1.00 0.00 C ATOM 1036 CD GLN A 183 8.437 -4.981 -4.589 1.00 0.00 C ATOM 1037 OE1 GLN A 183 7.214 -4.886 -4.507 1.00 0.00 O ATOM 1038 NE2 GLN A 183 9.048 -6.106 -4.942 1.00 0.00 N ATOM 0 H GLN A 183 7.757 -5.115 -1.899 1.00 0.00 H new ATOM 0 HA GLN A 183 10.559 -5.001 -2.309 1.00 0.00 H new ATOM 0 HB2 GLN A 183 8.244 -3.089 -2.579 1.00 0.00 H new ATOM 0 HB3 GLN A 183 9.881 -2.472 -2.693 1.00 0.00 H new ATOM 0 HG2 GLN A 183 9.042 -2.956 -4.916 1.00 0.00 H new ATOM 0 HG3 GLN A 183 10.360 -4.047 -4.539 1.00 0.00 H new ATOM 0 HE21 GLN A 183 10.066 -6.138 -4.997 1.00 0.00 H new ATOM 0 HE22 GLN A 183 8.499 -6.938 -5.159 1.00 0.00 H new ATOM 1047 N LEU A 184 9.392 -3.610 0.417 1.00 0.00 N ATOM 1048 CA LEU A 184 9.782 -2.992 1.683 1.00 0.00 C ATOM 1049 C LEU A 184 10.919 -3.765 2.329 1.00 0.00 C ATOM 1050 O LEU A 184 11.984 -3.216 2.614 1.00 0.00 O ATOM 1051 CB LEU A 184 8.594 -2.948 2.650 1.00 0.00 C ATOM 1052 CG LEU A 184 7.307 -2.356 2.079 1.00 0.00 C ATOM 1053 CD1 LEU A 184 6.281 -2.141 3.179 1.00 0.00 C ATOM 1054 CD2 LEU A 184 7.605 -1.059 1.354 1.00 0.00 C ATOM 0 H LEU A 184 8.410 -3.880 0.363 1.00 0.00 H new ATOM 0 HA LEU A 184 10.112 -1.976 1.469 1.00 0.00 H new ATOM 0 HB2 LEU A 184 8.387 -3.962 2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 184 8.882 -2.369 3.527 1.00 0.00 H new ATOM 0 HG LEU A 184 6.886 -3.061 1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 184 5.372 -1.719 2.751 1.00 0.00 H new ATOM 0 HD12 LEU A 184 6.050 -3.095 3.653 1.00 0.00 H new ATOM 0 HD13 LEU A 184 6.684 -1.455 3.924 1.00 0.00 H new ATOM 0 HD21 LEU A 184 6.680 -0.646 0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 184 8.047 -0.346 2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 184 8.302 -1.250 0.538 1.00 0.00 H new ATOM 1066 N ARG A 185 10.674 -5.044 2.558 1.00 0.00 N ATOM 1067 CA ARG A 185 11.665 -5.918 3.177 1.00 0.00 C ATOM 1068 C ARG A 185 12.914 -6.038 2.308 1.00 0.00 C ATOM 1069 O ARG A 185 14.036 -6.021 2.814 1.00 0.00 O ATOM 1070 CB ARG A 185 11.070 -7.306 3.443 1.00 0.00 C ATOM 1071 CG ARG A 185 10.546 -8.001 2.196 1.00 0.00 C ATOM 1072 CD ARG A 185 10.025 -9.394 2.511 1.00 0.00 C ATOM 1073 NE ARG A 185 8.938 -9.369 3.487 1.00 0.00 N ATOM 1074 CZ ARG A 185 8.314 -10.458 3.926 1.00 0.00 C ATOM 1075 NH1 ARG A 185 8.667 -11.656 3.476 1.00 0.00 N ATOM 1076 NH2 ARG A 185 7.337 -10.352 4.816 1.00 0.00 N ATOM 0 H ARG A 185 9.795 -5.505 2.325 1.00 0.00 H new ATOM 0 HA ARG A 185 11.954 -5.472 4.129 1.00 0.00 H new ATOM 0 HB2 ARG A 185 11.832 -7.935 3.905 1.00 0.00 H new ATOM 0 HB3 ARG A 185 10.257 -7.210 4.162 1.00 0.00 H new ATOM 0 HG2 ARG A 185 9.748 -7.404 1.754 1.00 0.00 H new ATOM 0 HG3 ARG A 185 11.342 -8.068 1.454 1.00 0.00 H new ATOM 0 HD2 ARG A 185 9.676 -9.866 1.593 1.00 0.00 H new ATOM 0 HD3 ARG A 185 10.841 -10.007 2.894 1.00 0.00 H new ATOM 0 HE ARG A 185 8.641 -8.464 3.853 1.00 0.00 H new ATOM 0 HH11 ARG A 185 9.419 -11.743 2.792 1.00 0.00 H new ATOM 0 HH12 ARG A 185 8.187 -12.490 3.814 1.00 0.00 H new ATOM 0 HH21 ARG A 185 7.063 -9.434 5.165 1.00 0.00 H new ATOM 0 HH22 ARG A 185 6.860 -11.189 5.151 1.00 0.00 H new ATOM 1090 N ARG A 186 12.710 -6.161 1.000 1.00 0.00 N ATOM 1091 CA ARG A 186 13.817 -6.286 0.056 1.00 0.00 C ATOM 1092 C ARG A 186 14.740 -5.072 0.137 1.00 0.00 C ATOM 1093 O ARG A 186 15.962 -5.200 0.069 1.00 0.00 O ATOM 1094 CB ARG A 186 13.269 -6.455 -1.369 1.00 0.00 C ATOM 1095 CG ARG A 186 14.312 -6.852 -2.408 1.00 0.00 C ATOM 1096 CD ARG A 186 15.205 -5.686 -2.804 1.00 0.00 C ATOM 1097 NE ARG A 186 14.439 -4.576 -3.365 1.00 0.00 N ATOM 1098 CZ ARG A 186 14.985 -3.431 -3.764 1.00 0.00 C ATOM 1099 NH1 ARG A 186 16.293 -3.241 -3.655 1.00 0.00 N ATOM 1100 NH2 ARG A 186 14.221 -2.471 -4.268 1.00 0.00 N ATOM 0 H ARG A 186 11.786 -6.177 0.568 1.00 0.00 H new ATOM 0 HA ARG A 186 14.401 -7.168 0.317 1.00 0.00 H new ATOM 0 HB2 ARG A 186 12.484 -7.211 -1.355 1.00 0.00 H new ATOM 0 HB3 ARG A 186 12.805 -5.519 -1.679 1.00 0.00 H new ATOM 0 HG2 ARG A 186 14.927 -7.660 -2.012 1.00 0.00 H new ATOM 0 HG3 ARG A 186 13.810 -7.239 -3.294 1.00 0.00 H new ATOM 0 HD2 ARG A 186 15.758 -5.340 -1.931 1.00 0.00 H new ATOM 0 HD3 ARG A 186 15.941 -6.024 -3.534 1.00 0.00 H new ATOM 0 HE ARG A 186 13.429 -4.685 -3.456 1.00 0.00 H new ATOM 0 HH11 ARG A 186 16.884 -3.975 -3.264 1.00 0.00 H new ATOM 0 HH12 ARG A 186 16.708 -2.361 -3.962 1.00 0.00 H new ATOM 0 HH21 ARG A 186 13.214 -2.611 -4.350 1.00 0.00 H new ATOM 0 HH22 ARG A 186 14.641 -1.593 -4.574 1.00 0.00 H new ATOM 1114 N ALA A 187 14.148 -3.892 0.276 1.00 0.00 N ATOM 1115 CA ALA A 187 14.916 -2.656 0.359 1.00 0.00 C ATOM 1116 C ALA A 187 15.732 -2.588 1.647 1.00 0.00 C ATOM 1117 O ALA A 187 16.906 -2.224 1.627 1.00 0.00 O ATOM 1118 CB ALA A 187 13.990 -1.455 0.263 1.00 0.00 C ATOM 0 H ALA A 187 13.138 -3.765 0.334 1.00 0.00 H new ATOM 0 HA ALA A 187 15.613 -2.641 -0.479 1.00 0.00 H new ATOM 0 HB1 ALA A 187 14.576 -0.538 0.326 1.00 0.00 H new ATOM 0 HB2 ALA A 187 13.458 -1.481 -0.688 1.00 0.00 H new ATOM 0 HB3 ALA A 187 13.271 -1.484 1.082 1.00 0.00 H new