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 148 MET CE :methyl 164:sc= -1.3 (180deg=-1.72) USER MOD Set 1.2: A 152 TYR OH : rot 150:sc= 0 USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 GLN : amide:sc= -0.875 K(o=-0.87,f=-3.2!) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ -168:sc= -0.0207 (180deg=-0.195) USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 147 ASN :FLIP amide:sc= -0.0882 F(o=-3.1!,f=-0.088) USER MOD Single : A 150 GLN : amide:sc=-0.00283 X(o=-0.0028,f=0) USER MOD Single : A 151 THR OG1 : rot 80:sc= 1.27 USER MOD Single : A 161 LYS NZ :NH3+ -168:sc= -0.0513 (180deg=-0.239) USER MOD Single : A 165 THR OG1 : rot 68:sc= 0.0509 USER MOD Single : A 167 GLN : amide:sc= -1.29 K(o=-1.3,f=-6!) USER MOD Single : A 168 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 169 MET CE :methyl -157:sc= -0.242 (180deg=-0.972) 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= 0.986 USER MOD Single : A 174 LYS NZ :NH3+ 138:sc= -3.33! (180deg=-5.6!) USER MOD Single : A 175 THR OG1 : rot 59:sc= 1.21 USER MOD Single : A 176 LYS NZ :NH3+ 146:sc= -3.47! (180deg=-5.89!) USER MOD Single : A 182 MET CE :methyl -165:sc= -1.95 (180deg=-2.27) USER MOD Single : A 183 GLN :FLIP amide:sc= -0.371 F(o=-1.5!,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 111 N ARG A 127 15.298 5.240 -1.283 1.00 0.00 N ATOM 112 CA ARG A 127 14.436 4.061 -1.326 1.00 0.00 C ATOM 113 C ARG A 127 13.425 4.065 -0.185 1.00 0.00 C ATOM 114 O ARG A 127 12.244 3.788 -0.391 1.00 0.00 O ATOM 115 CB ARG A 127 15.277 2.784 -1.269 1.00 0.00 C ATOM 116 CG ARG A 127 16.183 2.579 -2.476 1.00 0.00 C ATOM 117 CD ARG A 127 15.389 2.281 -3.741 1.00 0.00 C ATOM 118 NE ARG A 127 14.613 3.433 -4.195 1.00 0.00 N ATOM 119 CZ ARG A 127 13.832 3.419 -5.270 1.00 0.00 C ATOM 120 NH1 ARG A 127 13.719 2.316 -6.000 1.00 0.00 N ATOM 121 NH2 ARG A 127 13.162 4.508 -5.617 1.00 0.00 N ATOM 0 HA ARG A 127 13.886 4.090 -2.267 1.00 0.00 H new ATOM 0 HB2 ARG A 127 15.890 2.806 -0.368 1.00 0.00 H new ATOM 0 HB3 ARG A 127 14.610 1.927 -1.180 1.00 0.00 H new ATOM 0 HG2 ARG A 127 16.789 3.472 -2.630 1.00 0.00 H new ATOM 0 HG3 ARG A 127 16.871 1.757 -2.278 1.00 0.00 H new ATOM 0 HD2 ARG A 127 16.073 1.972 -4.532 1.00 0.00 H new ATOM 0 HD3 ARG A 127 14.717 1.443 -3.556 1.00 0.00 H new ATOM 0 HE ARG A 127 14.674 4.297 -3.656 1.00 0.00 H new ATOM 0 HH11 ARG A 127 14.233 1.475 -5.736 1.00 0.00 H new ATOM 0 HH12 ARG A 127 13.118 2.309 -6.824 1.00 0.00 H new ATOM 0 HH21 ARG A 127 13.246 5.358 -5.059 1.00 0.00 H new ATOM 0 HH22 ARG A 127 12.563 4.497 -6.442 1.00 0.00 H new ATOM 135 N VAL A 128 13.897 4.371 1.018 1.00 0.00 N ATOM 136 CA VAL A 128 13.034 4.400 2.194 1.00 0.00 C ATOM 137 C VAL A 128 11.885 5.391 2.024 1.00 0.00 C ATOM 138 O VAL A 128 10.735 5.076 2.324 1.00 0.00 O ATOM 139 CB VAL A 128 13.829 4.764 3.463 1.00 0.00 C ATOM 140 CG1 VAL A 128 12.922 4.766 4.685 1.00 0.00 C ATOM 141 CG2 VAL A 128 14.992 3.804 3.657 1.00 0.00 C ATOM 0 H VAL A 128 14.873 4.603 1.205 1.00 0.00 H new ATOM 0 HA VAL A 128 12.623 3.397 2.303 1.00 0.00 H new ATOM 0 HB VAL A 128 14.232 5.769 3.339 1.00 0.00 H new ATOM 0 HG11 VAL A 128 13.504 5.025 5.569 1.00 0.00 H new ATOM 0 HG12 VAL A 128 12.126 5.498 4.546 1.00 0.00 H new ATOM 0 HG13 VAL A 128 12.485 3.776 4.816 1.00 0.00 H new ATOM 0 HG21 VAL A 128 15.542 4.076 4.558 1.00 0.00 H new ATOM 0 HG22 VAL A 128 14.612 2.787 3.757 1.00 0.00 H new ATOM 0 HG23 VAL A 128 15.657 3.859 2.795 1.00 0.00 H new ATOM 151 N ALA A 129 12.205 6.589 1.549 1.00 0.00 N ATOM 152 CA ALA A 129 11.201 7.628 1.350 1.00 0.00 C ATOM 153 C ALA A 129 10.128 7.193 0.355 1.00 0.00 C ATOM 154 O ALA A 129 8.935 7.383 0.593 1.00 0.00 O ATOM 155 CB ALA A 129 11.864 8.912 0.880 1.00 0.00 C ATOM 0 H ALA A 129 13.153 6.865 1.294 1.00 0.00 H new ATOM 0 HA ALA A 129 10.711 7.805 2.308 1.00 0.00 H new ATOM 0 HB1 ALA A 129 11.105 9.681 0.734 1.00 0.00 H new ATOM 0 HB2 ALA A 129 12.581 9.247 1.630 1.00 0.00 H new ATOM 0 HB3 ALA A 129 12.382 8.730 -0.062 1.00 0.00 H new ATOM 161 N GLY A 130 10.560 6.617 -0.762 1.00 0.00 N ATOM 162 CA GLY A 130 9.624 6.174 -1.781 1.00 0.00 C ATOM 163 C GLY A 130 8.730 5.039 -1.316 1.00 0.00 C ATOM 164 O GLY A 130 7.524 5.052 -1.557 1.00 0.00 O ATOM 0 H GLY A 130 11.542 6.449 -0.981 1.00 0.00 H new ATOM 0 HA2 GLY A 130 9.003 7.016 -2.086 1.00 0.00 H new ATOM 0 HA3 GLY A 130 10.180 5.853 -2.662 1.00 0.00 H new ATOM 168 N LEU A 131 9.319 4.050 -0.661 1.00 0.00 N ATOM 169 CA LEU A 131 8.566 2.899 -0.177 1.00 0.00 C ATOM 170 C LEU A 131 7.567 3.300 0.908 1.00 0.00 C ATOM 171 O LEU A 131 6.424 2.840 0.910 1.00 0.00 O ATOM 172 CB LEU A 131 9.524 1.829 0.351 1.00 0.00 C ATOM 173 CG LEU A 131 10.517 1.285 -0.680 1.00 0.00 C ATOM 174 CD1 LEU A 131 11.466 0.287 -0.038 1.00 0.00 C ATOM 175 CD2 LEU A 131 9.780 0.644 -1.847 1.00 0.00 C ATOM 0 H LEU A 131 10.317 4.020 -0.451 1.00 0.00 H new ATOM 0 HA LEU A 131 8.000 2.491 -1.014 1.00 0.00 H new ATOM 0 HB2 LEU A 131 10.084 2.245 1.188 1.00 0.00 H new ATOM 0 HB3 LEU A 131 8.937 0.998 0.742 1.00 0.00 H new ATOM 0 HG LEU A 131 11.105 2.121 -1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 131 12.163 -0.087 -0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 131 12.022 0.776 0.762 1.00 0.00 H new ATOM 0 HD13 LEU A 131 10.895 -0.545 0.374 1.00 0.00 H new ATOM 0 HD21 LEU A 131 10.503 0.264 -2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 131 9.165 -0.178 -1.481 1.00 0.00 H new ATOM 0 HD23 LEU A 131 9.144 1.387 -2.328 1.00 0.00 H new ATOM 187 N GLU A 132 8.004 4.150 1.833 1.00 0.00 N ATOM 188 CA GLU A 132 7.144 4.600 2.925 1.00 0.00 C ATOM 189 C GLU A 132 5.956 5.414 2.417 1.00 0.00 C ATOM 190 O GLU A 132 4.822 5.190 2.841 1.00 0.00 O ATOM 191 CB GLU A 132 7.945 5.426 3.935 1.00 0.00 C ATOM 192 CG GLU A 132 9.006 4.625 4.672 1.00 0.00 C ATOM 193 CD GLU A 132 8.425 3.455 5.441 1.00 0.00 C ATOM 194 OE1 GLU A 132 7.589 3.690 6.338 1.00 0.00 O ATOM 195 OE2 GLU A 132 8.806 2.302 5.146 1.00 0.00 O ATOM 0 H GLU A 132 8.946 4.541 1.849 1.00 0.00 H new ATOM 0 HA GLU A 132 6.754 3.708 3.415 1.00 0.00 H new ATOM 0 HB2 GLU A 132 8.424 6.255 3.415 1.00 0.00 H new ATOM 0 HB3 GLU A 132 7.259 5.860 4.662 1.00 0.00 H new ATOM 0 HG2 GLU A 132 9.740 4.255 3.956 1.00 0.00 H new ATOM 0 HG3 GLU A 132 9.537 5.281 5.362 1.00 0.00 H new ATOM 202 N LYS A 133 6.213 6.364 1.518 1.00 0.00 N ATOM 203 CA LYS A 133 5.142 7.199 0.980 1.00 0.00 C ATOM 204 C LYS A 133 4.067 6.341 0.319 1.00 0.00 C ATOM 205 O LYS A 133 2.873 6.597 0.477 1.00 0.00 O ATOM 206 CB LYS A 133 5.690 8.229 -0.017 1.00 0.00 C ATOM 207 CG LYS A 133 6.275 7.622 -1.280 1.00 0.00 C ATOM 208 CD LYS A 133 6.695 8.695 -2.271 1.00 0.00 C ATOM 209 CE LYS A 133 7.244 8.088 -3.553 1.00 0.00 C ATOM 210 NZ LYS A 133 7.624 9.133 -4.544 1.00 0.00 N ATOM 0 H LYS A 133 7.142 6.572 1.151 1.00 0.00 H new ATOM 0 HA LYS A 133 4.692 7.739 1.813 1.00 0.00 H new ATOM 0 HB2 LYS A 133 4.888 8.913 -0.294 1.00 0.00 H new ATOM 0 HB3 LYS A 133 6.459 8.823 0.477 1.00 0.00 H new ATOM 0 HG2 LYS A 133 7.136 7.005 -1.023 1.00 0.00 H new ATOM 0 HG3 LYS A 133 5.539 6.965 -1.744 1.00 0.00 H new ATOM 0 HD2 LYS A 133 5.840 9.330 -2.505 1.00 0.00 H new ATOM 0 HD3 LYS A 133 7.452 9.334 -1.817 1.00 0.00 H new ATOM 0 HE2 LYS A 133 8.114 7.475 -3.320 1.00 0.00 H new ATOM 0 HE3 LYS A 133 6.496 7.427 -3.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 7.993 8.678 -5.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 6.788 9.703 -4.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 8.356 9.749 -4.136 1.00 0.00 H new ATOM 224 N GLN A 134 4.497 5.317 -0.414 1.00 0.00 N ATOM 225 CA GLN A 134 3.568 4.414 -1.088 1.00 0.00 C ATOM 226 C GLN A 134 2.645 3.739 -0.079 1.00 0.00 C ATOM 227 O GLN A 134 1.440 3.617 -0.307 1.00 0.00 O ATOM 228 CB GLN A 134 4.333 3.349 -1.876 1.00 0.00 C ATOM 229 CG GLN A 134 5.181 3.907 -3.006 1.00 0.00 C ATOM 230 CD GLN A 134 4.350 4.531 -4.110 1.00 0.00 C ATOM 231 OE1 GLN A 134 3.609 5.487 -3.882 1.00 0.00 O ATOM 232 NE2 GLN A 134 4.471 3.992 -5.317 1.00 0.00 N ATOM 0 H GLN A 134 5.482 5.092 -0.556 1.00 0.00 H new ATOM 0 HA GLN A 134 2.965 5.005 -1.778 1.00 0.00 H new ATOM 0 HB2 GLN A 134 4.977 2.797 -1.191 1.00 0.00 H new ATOM 0 HB3 GLN A 134 3.620 2.635 -2.289 1.00 0.00 H new ATOM 0 HG2 GLN A 134 5.865 4.655 -2.606 1.00 0.00 H new ATOM 0 HG3 GLN A 134 5.792 3.107 -3.425 1.00 0.00 H new ATOM 0 HE21 GLN A 134 5.097 3.200 -5.461 1.00 0.00 H new ATOM 0 HE22 GLN A 134 3.938 4.370 -6.100 1.00 0.00 H new ATOM 241 N LEU A 135 3.223 3.299 1.032 1.00 0.00 N ATOM 242 CA LEU A 135 2.466 2.628 2.081 1.00 0.00 C ATOM 243 C LEU A 135 1.380 3.544 2.639 1.00 0.00 C ATOM 244 O LEU A 135 0.244 3.120 2.852 1.00 0.00 O ATOM 245 CB LEU A 135 3.418 2.169 3.197 1.00 0.00 C ATOM 246 CG LEU A 135 2.814 1.249 4.269 1.00 0.00 C ATOM 247 CD1 LEU A 135 1.881 2.016 5.194 1.00 0.00 C ATOM 248 CD2 LEU A 135 2.079 0.082 3.622 1.00 0.00 C ATOM 0 H LEU A 135 4.219 3.396 1.230 1.00 0.00 H new ATOM 0 HA LEU A 135 1.975 1.753 1.654 1.00 0.00 H new ATOM 0 HB2 LEU A 135 4.261 1.652 2.737 1.00 0.00 H new ATOM 0 HB3 LEU A 135 3.818 3.054 3.691 1.00 0.00 H new ATOM 0 HG LEU A 135 3.634 0.856 4.870 1.00 0.00 H new ATOM 0 HD11 LEU A 135 1.470 1.337 5.941 1.00 0.00 H new ATOM 0 HD12 LEU A 135 2.435 2.811 5.692 1.00 0.00 H new ATOM 0 HD13 LEU A 135 1.068 2.450 4.612 1.00 0.00 H new ATOM 0 HD21 LEU A 135 1.658 -0.558 4.398 1.00 0.00 H new ATOM 0 HD22 LEU A 135 1.276 0.463 2.991 1.00 0.00 H new ATOM 0 HD23 LEU A 135 2.776 -0.495 3.014 1.00 0.00 H new ATOM 260 N ALA A 136 1.741 4.799 2.874 1.00 0.00 N ATOM 261 CA ALA A 136 0.805 5.781 3.411 1.00 0.00 C ATOM 262 C ALA A 136 -0.414 5.945 2.506 1.00 0.00 C ATOM 263 O ALA A 136 -1.554 5.938 2.975 1.00 0.00 O ATOM 264 CB ALA A 136 1.501 7.119 3.603 1.00 0.00 C ATOM 0 H ALA A 136 2.678 5.163 2.701 1.00 0.00 H new ATOM 0 HA ALA A 136 0.456 5.417 4.377 1.00 0.00 H new ATOM 0 HB1 ALA A 136 0.792 7.844 4.004 1.00 0.00 H new ATOM 0 HB2 ALA A 136 2.332 7.000 4.299 1.00 0.00 H new ATOM 0 HB3 ALA A 136 1.879 7.474 2.644 1.00 0.00 H new ATOM 270 N ILE A 137 -0.165 6.092 1.208 1.00 0.00 N ATOM 271 CA ILE A 137 -1.239 6.258 0.236 1.00 0.00 C ATOM 272 C ILE A 137 -2.215 5.087 0.298 1.00 0.00 C ATOM 273 O ILE A 137 -3.430 5.273 0.213 1.00 0.00 O ATOM 274 CB ILE A 137 -0.686 6.381 -1.198 1.00 0.00 C ATOM 275 CG1 ILE A 137 0.309 7.543 -1.283 1.00 0.00 C ATOM 276 CG2 ILE A 137 -1.823 6.577 -2.192 1.00 0.00 C ATOM 277 CD1 ILE A 137 0.967 7.682 -2.641 1.00 0.00 C ATOM 0 H ILE A 137 0.772 6.099 0.805 1.00 0.00 H new ATOM 0 HA ILE A 137 -1.762 7.179 0.492 1.00 0.00 H new ATOM 0 HB ILE A 137 -0.165 5.458 -1.452 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -0.209 8.472 -1.043 1.00 0.00 H new ATOM 0 HG13 ILE A 137 1.082 7.404 -0.527 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -1.415 6.662 -3.199 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -2.499 5.723 -2.145 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -2.370 7.487 -1.944 1.00 0.00 H new ATOM 0 HD11 ILE A 137 1.658 8.525 -2.626 1.00 0.00 H new ATOM 0 HD12 ILE A 137 1.514 6.769 -2.876 1.00 0.00 H new ATOM 0 HD13 ILE A 137 0.203 7.853 -3.400 1.00 0.00 H new ATOM 289 N GLU A 138 -1.673 3.883 0.445 1.00 0.00 N ATOM 290 CA GLU A 138 -2.488 2.676 0.517 1.00 0.00 C ATOM 291 C GLU A 138 -3.424 2.710 1.719 1.00 0.00 C ATOM 292 O GLU A 138 -4.585 2.321 1.619 1.00 0.00 O ATOM 293 CB GLU A 138 -1.600 1.437 0.596 1.00 0.00 C ATOM 294 CG GLU A 138 -0.673 1.272 -0.593 1.00 0.00 C ATOM 295 CD GLU A 138 -1.418 1.232 -1.914 1.00 0.00 C ATOM 296 OE1 GLU A 138 -2.263 0.329 -2.091 1.00 0.00 O ATOM 297 OE2 GLU A 138 -1.157 2.103 -2.770 1.00 0.00 O ATOM 0 H GLU A 138 -0.669 3.717 0.517 1.00 0.00 H new ATOM 0 HA GLU A 138 -3.091 2.632 -0.390 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -1.003 1.487 1.506 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -2.232 0.553 0.678 1.00 0.00 H new ATOM 0 HG2 GLU A 138 0.042 2.095 -0.608 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -0.099 0.353 -0.476 1.00 0.00 H new ATOM 304 N LEU A 139 -2.911 3.163 2.856 1.00 0.00 N ATOM 305 CA LEU A 139 -3.705 3.233 4.079 1.00 0.00 C ATOM 306 C LEU A 139 -4.932 4.121 3.893 1.00 0.00 C ATOM 307 O LEU A 139 -6.024 3.785 4.344 1.00 0.00 O ATOM 308 CB LEU A 139 -2.856 3.754 5.238 1.00 0.00 C ATOM 309 CG LEU A 139 -1.662 2.874 5.615 1.00 0.00 C ATOM 310 CD1 LEU A 139 -0.844 3.532 6.717 1.00 0.00 C ATOM 311 CD2 LEU A 139 -2.131 1.494 6.053 1.00 0.00 C ATOM 0 H LEU A 139 -1.949 3.488 2.958 1.00 0.00 H new ATOM 0 HA LEU A 139 -4.046 2.224 4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -2.488 4.747 4.981 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -3.495 3.867 6.114 1.00 0.00 H new ATOM 0 HG LEU A 139 -1.029 2.758 4.735 1.00 0.00 H new ATOM 0 HD11 LEU A 139 0.001 2.893 6.973 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -0.477 4.498 6.370 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -1.470 3.677 7.598 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -1.268 0.883 6.317 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -2.786 1.590 6.919 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -2.676 1.019 5.237 1.00 0.00 H new ATOM 323 N LYS A 140 -4.744 5.261 3.236 1.00 0.00 N ATOM 324 CA LYS A 140 -5.841 6.197 3.007 1.00 0.00 C ATOM 325 C LYS A 140 -6.950 5.573 2.159 1.00 0.00 C ATOM 326 O LYS A 140 -8.131 5.685 2.491 1.00 0.00 O ATOM 327 CB LYS A 140 -5.325 7.465 2.326 1.00 0.00 C ATOM 328 CG LYS A 140 -4.299 8.227 3.149 1.00 0.00 C ATOM 329 CD LYS A 140 -3.843 9.488 2.433 1.00 0.00 C ATOM 330 CE LYS A 140 -2.815 10.252 3.251 1.00 0.00 C ATOM 331 NZ LYS A 140 -2.382 11.504 2.569 1.00 0.00 N ATOM 0 H LYS A 140 -3.846 5.559 2.854 1.00 0.00 H new ATOM 0 HA LYS A 140 -6.261 6.451 3.980 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -4.882 7.197 1.367 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -6.169 8.122 2.115 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -4.728 8.490 4.116 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -3.439 7.587 3.346 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -3.416 9.224 1.465 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -4.703 10.128 2.238 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -3.236 10.497 4.226 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -1.947 9.617 3.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -1.681 11.996 3.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -1.957 11.269 1.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -3.206 12.122 2.422 1.00 0.00 H new ATOM 345 N VAL A 141 -6.567 4.936 1.057 1.00 0.00 N ATOM 346 CA VAL A 141 -7.534 4.316 0.154 1.00 0.00 C ATOM 347 C VAL A 141 -8.166 3.064 0.761 1.00 0.00 C ATOM 348 O VAL A 141 -9.384 2.899 0.733 1.00 0.00 O ATOM 349 CB VAL A 141 -6.884 3.943 -1.192 1.00 0.00 C ATOM 350 CG1 VAL A 141 -7.928 3.421 -2.166 1.00 0.00 C ATOM 351 CG2 VAL A 141 -6.146 5.136 -1.779 1.00 0.00 C ATOM 0 H VAL A 141 -5.594 4.835 0.767 1.00 0.00 H new ATOM 0 HA VAL A 141 -8.315 5.058 -0.011 1.00 0.00 H new ATOM 0 HB VAL A 141 -6.159 3.149 -1.014 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -7.448 3.163 -3.110 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -8.405 2.535 -1.748 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -8.681 4.190 -2.340 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -5.694 4.852 -2.729 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -6.848 5.954 -1.941 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -5.367 5.458 -1.088 1.00 0.00 H new ATOM 361 N LYS A 142 -7.328 2.178 1.291 1.00 0.00 N ATOM 362 CA LYS A 142 -7.802 0.929 1.886 1.00 0.00 C ATOM 363 C LYS A 142 -8.736 1.190 3.065 1.00 0.00 C ATOM 364 O LYS A 142 -9.844 0.657 3.115 1.00 0.00 O ATOM 365 CB LYS A 142 -6.614 0.078 2.341 1.00 0.00 C ATOM 366 CG LYS A 142 -7.015 -1.270 2.922 1.00 0.00 C ATOM 367 CD LYS A 142 -5.796 -2.077 3.339 1.00 0.00 C ATOM 368 CE LYS A 142 -6.189 -3.432 3.903 1.00 0.00 C ATOM 369 NZ LYS A 142 -7.023 -3.303 5.130 1.00 0.00 N ATOM 0 H LYS A 142 -6.316 2.300 1.321 1.00 0.00 H new ATOM 0 HA LYS A 142 -8.364 0.389 1.124 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -5.949 -0.085 1.493 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -6.047 0.632 3.089 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -7.665 -1.118 3.784 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -7.589 -1.830 2.184 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -5.140 -2.216 2.480 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -5.229 -1.522 4.086 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -6.739 -3.994 3.148 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -5.290 -4.004 4.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -7.100 -4.229 5.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -6.580 -2.623 5.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -7.972 -2.966 4.871 1.00 0.00 H new ATOM 383 N GLN A 143 -8.285 2.009 4.012 1.00 0.00 N ATOM 384 CA GLN A 143 -9.090 2.329 5.186 1.00 0.00 C ATOM 385 C GLN A 143 -10.409 2.973 4.777 1.00 0.00 C ATOM 386 O GLN A 143 -11.474 2.597 5.268 1.00 0.00 O ATOM 387 CB GLN A 143 -8.321 3.261 6.125 1.00 0.00 C ATOM 388 CG GLN A 143 -9.083 3.617 7.390 1.00 0.00 C ATOM 389 CD GLN A 143 -8.305 4.555 8.292 1.00 0.00 C ATOM 390 OE1 GLN A 143 -7.963 5.670 7.900 1.00 0.00 O ATOM 391 NE2 GLN A 143 -8.020 4.104 9.509 1.00 0.00 N ATOM 0 H GLN A 143 -7.371 2.461 3.989 1.00 0.00 H new ATOM 0 HA GLN A 143 -9.306 1.399 5.712 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -7.378 2.788 6.400 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -8.074 4.178 5.590 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -10.032 4.081 7.120 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -9.319 2.704 7.937 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -8.324 3.172 9.792 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -7.497 4.690 10.160 1.00 0.00 H new ATOM 400 N GLY A 144 -10.331 3.941 3.868 1.00 0.00 N ATOM 401 CA GLY A 144 -11.525 4.617 3.398 1.00 0.00 C ATOM 402 C GLY A 144 -12.479 3.671 2.699 1.00 0.00 C ATOM 403 O GLY A 144 -13.696 3.817 2.802 1.00 0.00 O ATOM 0 H GLY A 144 -9.461 4.269 3.449 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -12.032 5.084 4.242 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -11.242 5.417 2.714 1.00 0.00 H new ATOM 407 N ALA A 145 -11.920 2.693 1.993 1.00 0.00 N ATOM 408 CA ALA A 145 -12.722 1.711 1.280 1.00 0.00 C ATOM 409 C ALA A 145 -13.501 0.854 2.265 1.00 0.00 C ATOM 410 O ALA A 145 -14.669 0.537 2.042 1.00 0.00 O ATOM 411 CB ALA A 145 -11.836 0.842 0.400 1.00 0.00 C ATOM 0 H ALA A 145 -10.913 2.561 1.901 1.00 0.00 H new ATOM 0 HA ALA A 145 -13.432 2.236 0.641 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -12.451 0.112 -0.127 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -11.316 1.469 -0.324 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -11.106 0.322 1.020 1.00 0.00 H new ATOM 417 N GLU A 146 -12.843 0.494 3.363 1.00 0.00 N ATOM 418 CA GLU A 146 -13.470 -0.319 4.400 1.00 0.00 C ATOM 419 C GLU A 146 -14.693 0.393 4.963 1.00 0.00 C ATOM 420 O GLU A 146 -15.736 -0.224 5.183 1.00 0.00 O ATOM 421 CB GLU A 146 -12.474 -0.617 5.523 1.00 0.00 C ATOM 422 CG GLU A 146 -11.253 -1.399 5.064 1.00 0.00 C ATOM 423 CD GLU A 146 -10.281 -1.677 6.195 1.00 0.00 C ATOM 424 OE1 GLU A 146 -9.771 -0.706 6.793 1.00 0.00 O ATOM 425 OE2 GLU A 146 -10.031 -2.866 6.483 1.00 0.00 O ATOM 0 H GLU A 146 -11.876 0.752 3.558 1.00 0.00 H new ATOM 0 HA GLU A 146 -13.785 -1.262 3.954 1.00 0.00 H new ATOM 0 HB2 GLU A 146 -12.147 0.324 5.966 1.00 0.00 H new ATOM 0 HB3 GLU A 146 -12.981 -1.179 6.307 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -11.575 -2.344 4.625 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -10.742 -0.841 4.279 1.00 0.00 H new ATOM 432 N ASN A 147 -14.559 1.696 5.181 1.00 0.00 N ATOM 433 CA ASN A 147 -15.655 2.502 5.702 1.00 0.00 C ATOM 434 C ASN A 147 -16.846 2.445 4.755 1.00 0.00 C ATOM 435 O ASN A 147 -17.992 2.324 5.185 1.00 0.00 O ATOM 436 CB ASN A 147 -15.208 3.952 5.893 1.00 0.00 C ATOM 437 CG ASN A 147 -14.096 4.089 6.914 1.00 0.00 C ATOM 438 OD1 ASN A 147 -12.961 4.630 6.487 1.00 0.00 O flip ATOM 439 ND2 ASN A 147 -14.257 3.715 8.076 1.00 0.00 N flip ATOM 0 H ASN A 147 -13.700 2.217 5.004 1.00 0.00 H new ATOM 0 HA ASN A 147 -15.952 2.097 6.670 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -14.870 4.353 4.937 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -16.061 4.553 6.208 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -15.146 3.305 8.361 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -13.501 3.816 8.754 1.00 0.00 H new ATOM 446 N MET A 148 -16.562 2.527 3.460 1.00 0.00 N ATOM 447 CA MET A 148 -17.602 2.480 2.439 1.00 0.00 C ATOM 448 C MET A 148 -18.300 1.124 2.445 1.00 0.00 C ATOM 449 O MET A 148 -19.521 1.041 2.336 1.00 0.00 O ATOM 450 CB MET A 148 -16.999 2.748 1.058 1.00 0.00 C ATOM 451 CG MET A 148 -16.216 4.048 0.978 1.00 0.00 C ATOM 452 SD MET A 148 -17.238 5.501 1.284 1.00 0.00 S ATOM 453 CE MET A 148 -18.347 5.435 -0.122 1.00 0.00 C ATOM 0 H MET A 148 -15.616 2.627 3.091 1.00 0.00 H new ATOM 0 HA MET A 148 -18.338 3.252 2.663 1.00 0.00 H new ATOM 0 HB2 MET A 148 -16.342 1.921 0.791 1.00 0.00 H new ATOM 0 HB3 MET A 148 -17.800 2.770 0.319 1.00 0.00 H new ATOM 0 HG2 MET A 148 -15.403 4.022 1.704 1.00 0.00 H new ATOM 0 HG3 MET A 148 -15.760 4.132 -0.008 1.00 0.00 H new ATOM 0 HE1 MET A 148 -19.206 6.081 0.061 1.00 0.00 H new ATOM 0 HE2 MET A 148 -17.822 5.774 -1.015 1.00 0.00 H new ATOM 0 HE3 MET A 148 -18.688 4.410 -0.269 1.00 0.00 H new ATOM 463 N ILE A 149 -17.512 0.062 2.570 1.00 0.00 N ATOM 464 CA ILE A 149 -18.046 -1.294 2.585 1.00 0.00 C ATOM 465 C ILE A 149 -19.010 -1.502 3.750 1.00 0.00 C ATOM 466 O ILE A 149 -20.121 -1.995 3.567 1.00 0.00 O ATOM 467 CB ILE A 149 -16.916 -2.337 2.683 1.00 0.00 C ATOM 468 CG1 ILE A 149 -15.940 -2.174 1.516 1.00 0.00 C ATOM 469 CG2 ILE A 149 -17.494 -3.746 2.709 1.00 0.00 C ATOM 470 CD1 ILE A 149 -14.725 -3.072 1.610 1.00 0.00 C ATOM 0 H ILE A 149 -16.498 0.115 2.663 1.00 0.00 H new ATOM 0 HA ILE A 149 -18.584 -1.429 1.647 1.00 0.00 H new ATOM 0 HB ILE A 149 -16.370 -2.174 3.613 1.00 0.00 H new ATOM 0 HG12 ILE A 149 -16.464 -2.383 0.583 1.00 0.00 H new ATOM 0 HG13 ILE A 149 -15.611 -1.136 1.471 1.00 0.00 H new ATOM 0 HG21 ILE A 149 -16.683 -4.471 2.778 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -18.152 -3.854 3.572 1.00 0.00 H new ATOM 0 HG23 ILE A 149 -18.062 -3.923 1.796 1.00 0.00 H new ATOM 0 HD11 ILE A 149 -14.079 -2.901 0.749 1.00 0.00 H new ATOM 0 HD12 ILE A 149 -14.177 -2.848 2.525 1.00 0.00 H new ATOM 0 HD13 ILE A 149 -15.043 -4.114 1.624 1.00 0.00 H new ATOM 482 N GLN A 150 -18.570 -1.134 4.947 1.00 0.00 N ATOM 483 CA GLN A 150 -19.385 -1.292 6.148 1.00 0.00 C ATOM 484 C GLN A 150 -20.620 -0.395 6.116 1.00 0.00 C ATOM 485 O GLN A 150 -21.712 -0.816 6.498 1.00 0.00 O ATOM 486 CB GLN A 150 -18.553 -0.983 7.392 1.00 0.00 C ATOM 487 CG GLN A 150 -17.362 -1.910 7.567 1.00 0.00 C ATOM 488 CD GLN A 150 -16.549 -1.581 8.800 1.00 0.00 C ATOM 489 OE1 GLN A 150 -17.048 -1.642 9.924 1.00 0.00 O ATOM 490 NE2 GLN A 150 -15.287 -1.228 8.596 1.00 0.00 N ATOM 0 H GLN A 150 -17.651 -0.723 5.113 1.00 0.00 H new ATOM 0 HA GLN A 150 -19.724 -2.327 6.182 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -18.198 0.046 7.336 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -19.191 -1.053 8.273 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -17.713 -2.940 7.631 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -16.723 -1.846 6.686 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -14.915 -1.191 7.647 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -14.689 -0.994 9.388 1.00 0.00 H new ATOM 499 N THR A 151 -20.436 0.846 5.679 1.00 0.00 N ATOM 500 CA THR A 151 -21.531 1.811 5.621 1.00 0.00 C ATOM 501 C THR A 151 -22.666 1.349 4.705 1.00 0.00 C ATOM 502 O THR A 151 -23.835 1.387 5.091 1.00 0.00 O ATOM 503 CB THR A 151 -21.033 3.190 5.145 1.00 0.00 C ATOM 504 OG1 THR A 151 -20.046 3.693 6.053 1.00 0.00 O ATOM 505 CG2 THR A 151 -22.183 4.181 5.041 1.00 0.00 C ATOM 0 H THR A 151 -19.538 1.209 5.359 1.00 0.00 H new ATOM 0 HA THR A 151 -21.918 1.891 6.637 1.00 0.00 H new ATOM 0 HB THR A 151 -20.592 3.068 4.156 1.00 0.00 H new ATOM 0 HG1 THR A 151 -19.182 3.270 5.865 1.00 0.00 H new ATOM 0 HG21 THR A 151 -21.803 5.145 4.703 1.00 0.00 H new ATOM 0 HG22 THR A 151 -22.919 3.811 4.327 1.00 0.00 H new ATOM 0 HG23 THR A 151 -22.652 4.298 6.018 1.00 0.00 H new ATOM 513 N TYR A 152 -22.324 0.931 3.489 1.00 0.00 N ATOM 514 CA TYR A 152 -23.331 0.484 2.527 1.00 0.00 C ATOM 515 C TYR A 152 -23.893 -0.886 2.894 1.00 0.00 C ATOM 516 O TYR A 152 -25.109 -1.074 2.945 1.00 0.00 O ATOM 517 CB TYR A 152 -22.744 0.430 1.111 1.00 0.00 C ATOM 518 CG TYR A 152 -22.410 1.781 0.507 1.00 0.00 C ATOM 519 CD1 TYR A 152 -21.612 2.698 1.183 1.00 0.00 C ATOM 520 CD2 TYR A 152 -22.886 2.132 -0.750 1.00 0.00 C ATOM 521 CE1 TYR A 152 -21.301 3.922 0.624 1.00 0.00 C ATOM 522 CE2 TYR A 152 -22.579 3.355 -1.314 1.00 0.00 C ATOM 523 CZ TYR A 152 -21.785 4.245 -0.624 1.00 0.00 C ATOM 524 OH TYR A 152 -21.476 5.464 -1.182 1.00 0.00 O ATOM 0 H TYR A 152 -21.364 0.892 3.147 1.00 0.00 H new ATOM 0 HA TYR A 152 -24.144 1.210 2.556 1.00 0.00 H new ATOM 0 HB2 TYR A 152 -21.839 -0.177 1.131 1.00 0.00 H new ATOM 0 HB3 TYR A 152 -23.454 -0.078 0.458 1.00 0.00 H new ATOM 0 HD1 TYR A 152 -21.229 2.449 2.162 1.00 0.00 H new ATOM 0 HD2 TYR A 152 -23.507 1.437 -1.296 1.00 0.00 H new ATOM 0 HE1 TYR A 152 -20.681 4.623 1.163 1.00 0.00 H new ATOM 0 HE2 TYR A 152 -22.960 3.612 -2.291 1.00 0.00 H new ATOM 0 HH TYR A 152 -21.454 5.381 -2.158 1.00 0.00 H new ATOM 649 N LYS A 161 -24.889 0.264 -6.328 1.00 0.00 N ATOM 650 CA LYS A 161 -23.799 0.162 -7.291 1.00 0.00 C ATOM 651 C LYS A 161 -22.499 0.681 -6.687 1.00 0.00 C ATOM 652 O LYS A 161 -21.438 0.084 -6.868 1.00 0.00 O ATOM 653 CB LYS A 161 -24.135 0.950 -8.560 1.00 0.00 C ATOM 654 CG LYS A 161 -23.049 0.887 -9.623 1.00 0.00 C ATOM 655 CD LYS A 161 -23.413 1.711 -10.850 1.00 0.00 C ATOM 656 CE LYS A 161 -24.656 1.172 -11.543 1.00 0.00 C ATOM 657 NZ LYS A 161 -24.470 -0.232 -12.008 1.00 0.00 N ATOM 0 HA LYS A 161 -23.669 -0.889 -7.550 1.00 0.00 H new ATOM 0 HB2 LYS A 161 -25.065 0.567 -8.980 1.00 0.00 H new ATOM 0 HB3 LYS A 161 -24.311 1.992 -8.294 1.00 0.00 H new ATOM 0 HG2 LYS A 161 -22.110 1.251 -9.206 1.00 0.00 H new ATOM 0 HG3 LYS A 161 -22.887 -0.150 -9.916 1.00 0.00 H new ATOM 0 HD2 LYS A 161 -23.581 2.747 -10.556 1.00 0.00 H new ATOM 0 HD3 LYS A 161 -22.577 1.710 -11.550 1.00 0.00 H new ATOM 0 HE2 LYS A 161 -25.502 1.218 -10.858 1.00 0.00 H new ATOM 0 HE3 LYS A 161 -24.901 1.807 -12.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 -25.249 -0.493 -12.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 -23.566 -0.313 -12.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 -24.465 -0.872 -11.188 1.00 0.00 H new ATOM 671 N LEU A 162 -22.594 1.791 -5.960 1.00 0.00 N ATOM 672 CA LEU A 162 -21.428 2.383 -5.320 1.00 0.00 C ATOM 673 C LEU A 162 -20.778 1.384 -4.369 1.00 0.00 C ATOM 674 O LEU A 162 -19.552 1.296 -4.293 1.00 0.00 O ATOM 675 CB LEU A 162 -21.818 3.658 -4.567 1.00 0.00 C ATOM 676 CG LEU A 162 -22.383 4.781 -5.441 1.00 0.00 C ATOM 677 CD1 LEU A 162 -22.781 5.973 -4.583 1.00 0.00 C ATOM 678 CD2 LEU A 162 -21.369 5.199 -6.497 1.00 0.00 C ATOM 0 H LEU A 162 -23.466 2.296 -5.801 1.00 0.00 H new ATOM 0 HA LEU A 162 -20.707 2.646 -6.094 1.00 0.00 H new ATOM 0 HB2 LEU A 162 -22.558 3.402 -3.809 1.00 0.00 H new ATOM 0 HB3 LEU A 162 -20.940 4.034 -4.042 1.00 0.00 H new ATOM 0 HG LEU A 162 -23.273 4.408 -5.948 1.00 0.00 H new ATOM 0 HD11 LEU A 162 -23.181 6.762 -5.220 1.00 0.00 H new ATOM 0 HD12 LEU A 162 -23.541 5.666 -3.865 1.00 0.00 H new ATOM 0 HD13 LEU A 162 -21.907 6.345 -4.049 1.00 0.00 H new ATOM 0 HD21 LEU A 162 -21.789 5.998 -7.108 1.00 0.00 H new ATOM 0 HD22 LEU A 162 -20.461 5.554 -6.009 1.00 0.00 H new ATOM 0 HD23 LEU A 162 -21.130 4.345 -7.131 1.00 0.00 H new ATOM 690 N LEU A 163 -21.605 0.617 -3.659 1.00 0.00 N ATOM 691 CA LEU A 163 -21.101 -0.392 -2.731 1.00 0.00 C ATOM 692 C LEU A 163 -20.209 -1.380 -3.468 1.00 0.00 C ATOM 693 O LEU A 163 -19.108 -1.696 -3.015 1.00 0.00 O ATOM 694 CB LEU A 163 -22.258 -1.135 -2.057 1.00 0.00 C ATOM 695 CG LEU A 163 -21.858 -2.386 -1.267 1.00 0.00 C ATOM 696 CD1 LEU A 163 -20.860 -2.042 -0.172 1.00 0.00 C ATOM 697 CD2 LEU A 163 -23.090 -3.057 -0.677 1.00 0.00 C ATOM 0 H LEU A 163 -22.622 0.675 -3.709 1.00 0.00 H new ATOM 0 HA LEU A 163 -20.518 0.111 -1.960 1.00 0.00 H new ATOM 0 HB2 LEU A 163 -22.767 -0.446 -1.383 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -22.979 -1.423 -2.822 1.00 0.00 H new ATOM 0 HG LEU A 163 -21.378 -3.083 -1.953 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -20.592 -2.947 0.374 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -19.965 -1.609 -0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -21.307 -1.323 0.515 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -22.789 -3.944 -0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -23.598 -2.362 -0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -23.767 -3.346 -1.481 1.00 0.00 H new ATOM 709 N LEU A 164 -20.686 -1.852 -4.615 1.00 0.00 N ATOM 710 CA LEU A 164 -19.925 -2.791 -5.429 1.00 0.00 C ATOM 711 C LEU A 164 -18.588 -2.174 -5.821 1.00 0.00 C ATOM 712 O LEU A 164 -17.550 -2.835 -5.788 1.00 0.00 O ATOM 713 CB LEU A 164 -20.716 -3.176 -6.682 1.00 0.00 C ATOM 714 CG LEU A 164 -22.064 -3.853 -6.420 1.00 0.00 C ATOM 715 CD1 LEU A 164 -22.785 -4.124 -7.731 1.00 0.00 C ATOM 716 CD2 LEU A 164 -21.870 -5.147 -5.642 1.00 0.00 C ATOM 0 H LEU A 164 -21.596 -1.599 -5.001 1.00 0.00 H new ATOM 0 HA LEU A 164 -19.742 -3.693 -4.845 1.00 0.00 H new ATOM 0 HB2 LEU A 164 -20.888 -2.277 -7.274 1.00 0.00 H new ATOM 0 HB3 LEU A 164 -20.104 -3.844 -7.288 1.00 0.00 H new ATOM 0 HG LEU A 164 -22.677 -3.180 -5.820 1.00 0.00 H new ATOM 0 HD11 LEU A 164 -23.741 -4.605 -7.527 1.00 0.00 H new ATOM 0 HD12 LEU A 164 -22.956 -3.183 -8.253 1.00 0.00 H new ATOM 0 HD13 LEU A 164 -22.175 -4.778 -8.353 1.00 0.00 H new ATOM 0 HD21 LEU A 164 -22.839 -5.614 -5.465 1.00 0.00 H new ATOM 0 HD22 LEU A 164 -21.239 -5.826 -6.216 1.00 0.00 H new ATOM 0 HD23 LEU A 164 -21.393 -4.929 -4.687 1.00 0.00 H new ATOM 728 N THR A 165 -18.625 -0.893 -6.181 1.00 0.00 N ATOM 729 CA THR A 165 -17.423 -0.167 -6.569 1.00 0.00 C ATOM 730 C THR A 165 -16.426 -0.129 -5.416 1.00 0.00 C ATOM 731 O THR A 165 -15.223 -0.302 -5.615 1.00 0.00 O ATOM 732 CB THR A 165 -17.753 1.275 -7.001 1.00 0.00 C ATOM 733 OG1 THR A 165 -18.670 1.259 -8.102 1.00 0.00 O ATOM 734 CG2 THR A 165 -16.491 2.026 -7.401 1.00 0.00 C ATOM 0 H THR A 165 -19.479 -0.336 -6.211 1.00 0.00 H new ATOM 0 HA THR A 165 -16.983 -0.694 -7.416 1.00 0.00 H new ATOM 0 HB THR A 165 -18.208 1.787 -6.153 1.00 0.00 H new ATOM 0 HG1 THR A 165 -19.540 0.926 -7.798 1.00 0.00 H new ATOM 0 HG21 THR A 165 -16.751 3.041 -7.702 1.00 0.00 H new ATOM 0 HG22 THR A 165 -15.806 2.063 -6.554 1.00 0.00 H new ATOM 0 HG23 THR A 165 -16.011 1.513 -8.234 1.00 0.00 H new ATOM 742 N ALA A 166 -16.940 0.089 -4.208 1.00 0.00 N ATOM 743 CA ALA A 166 -16.103 0.140 -3.017 1.00 0.00 C ATOM 744 C ALA A 166 -15.358 -1.177 -2.833 1.00 0.00 C ATOM 745 O ALA A 166 -14.189 -1.192 -2.445 1.00 0.00 O ATOM 746 CB ALA A 166 -16.946 0.464 -1.789 1.00 0.00 C ATOM 0 H ALA A 166 -17.934 0.233 -4.030 1.00 0.00 H new ATOM 0 HA ALA A 166 -15.365 0.933 -3.142 1.00 0.00 H new ATOM 0 HB1 ALA A 166 -16.306 0.499 -0.907 1.00 0.00 H new ATOM 0 HB2 ALA A 166 -17.430 1.431 -1.925 1.00 0.00 H new ATOM 0 HB3 ALA A 166 -17.706 -0.306 -1.656 1.00 0.00 H new ATOM 752 N GLN A 167 -16.039 -2.280 -3.133 1.00 0.00 N ATOM 753 CA GLN A 167 -15.441 -3.605 -3.022 1.00 0.00 C ATOM 754 C GLN A 167 -14.230 -3.712 -3.939 1.00 0.00 C ATOM 755 O GLN A 167 -13.173 -4.199 -3.540 1.00 0.00 O ATOM 756 CB GLN A 167 -16.464 -4.685 -3.388 1.00 0.00 C ATOM 757 CG GLN A 167 -17.675 -4.728 -2.466 1.00 0.00 C ATOM 758 CD GLN A 167 -17.323 -5.163 -1.056 1.00 0.00 C ATOM 759 OE1 GLN A 167 -16.529 -4.517 -0.374 1.00 0.00 O ATOM 760 NE2 GLN A 167 -17.916 -6.266 -0.613 1.00 0.00 N ATOM 0 H GLN A 167 -17.007 -2.281 -3.455 1.00 0.00 H new ATOM 0 HA GLN A 167 -15.123 -3.755 -1.990 1.00 0.00 H new ATOM 0 HB2 GLN A 167 -16.804 -4.518 -4.410 1.00 0.00 H new ATOM 0 HB3 GLN A 167 -15.972 -5.658 -3.371 1.00 0.00 H new ATOM 0 HG2 GLN A 167 -18.136 -3.741 -2.433 1.00 0.00 H new ATOM 0 HG3 GLN A 167 -18.416 -5.412 -2.878 1.00 0.00 H new ATOM 0 HE21 GLN A 167 -18.568 -6.771 -1.213 1.00 0.00 H new ATOM 0 HE22 GLN A 167 -17.719 -6.608 0.327 1.00 0.00 H new ATOM 769 N GLN A 168 -14.397 -3.240 -5.172 1.00 0.00 N ATOM 770 CA GLN A 168 -13.323 -3.266 -6.155 1.00 0.00 C ATOM 771 C GLN A 168 -12.149 -2.414 -5.687 1.00 0.00 C ATOM 772 O GLN A 168 -10.989 -2.794 -5.848 1.00 0.00 O ATOM 773 CB GLN A 168 -13.827 -2.759 -7.509 1.00 0.00 C ATOM 774 CG GLN A 168 -12.768 -2.780 -8.602 1.00 0.00 C ATOM 775 CD GLN A 168 -13.266 -2.231 -9.929 1.00 0.00 C ATOM 776 OE1 GLN A 168 -14.520 -1.791 -9.966 1.00 0.00 O flip ATOM 777 NE2 GLN A 168 -12.527 -2.201 -10.913 1.00 0.00 N flip ATOM 0 H GLN A 168 -15.269 -2.835 -5.512 1.00 0.00 H new ATOM 0 HA GLN A 168 -12.986 -4.297 -6.266 1.00 0.00 H new ATOM 0 HB2 GLN A 168 -14.673 -3.369 -7.824 1.00 0.00 H new ATOM 0 HB3 GLN A 168 -14.195 -1.740 -7.391 1.00 0.00 H new ATOM 0 HG2 GLN A 168 -11.907 -2.197 -8.275 1.00 0.00 H new ATOM 0 HG3 GLN A 168 -12.424 -3.804 -8.746 1.00 0.00 H new ATOM 0 HE21 GLN A 168 -11.571 -2.549 -10.843 1.00 0.00 H new ATOM 0 HE22 GLN A 168 -12.871 -1.829 -11.798 1.00 0.00 H new ATOM 786 N MET A 169 -12.461 -1.258 -5.106 1.00 0.00 N ATOM 787 CA MET A 169 -11.437 -0.347 -4.611 1.00 0.00 C ATOM 788 C MET A 169 -10.579 -1.010 -3.541 1.00 0.00 C ATOM 789 O MET A 169 -9.350 -0.954 -3.595 1.00 0.00 O ATOM 790 CB MET A 169 -12.081 0.918 -4.044 1.00 0.00 C ATOM 791 CG MET A 169 -12.658 1.834 -5.108 1.00 0.00 C ATOM 792 SD MET A 169 -11.420 2.346 -6.314 1.00 0.00 S ATOM 793 CE MET A 169 -10.117 2.923 -5.227 1.00 0.00 C ATOM 0 H MET A 169 -13.417 -0.931 -4.967 1.00 0.00 H new ATOM 0 HA MET A 169 -10.795 -0.081 -5.451 1.00 0.00 H new ATOM 0 HB2 MET A 169 -12.874 0.634 -3.352 1.00 0.00 H new ATOM 0 HB3 MET A 169 -11.337 1.468 -3.467 1.00 0.00 H new ATOM 0 HG2 MET A 169 -13.473 1.323 -5.621 1.00 0.00 H new ATOM 0 HG3 MET A 169 -13.085 2.717 -4.632 1.00 0.00 H new ATOM 0 HE1 MET A 169 -9.479 3.625 -5.764 1.00 0.00 H new ATOM 0 HE2 MET A 169 -10.558 3.421 -4.363 1.00 0.00 H new ATOM 0 HE3 MET A 169 -9.520 2.075 -4.892 1.00 0.00 H new ATOM 803 N LEU A 170 -11.234 -1.627 -2.566 1.00 0.00 N ATOM 804 CA LEU A 170 -10.530 -2.293 -1.475 1.00 0.00 C ATOM 805 C LEU A 170 -9.651 -3.426 -1.996 1.00 0.00 C ATOM 806 O LEU A 170 -8.507 -3.573 -1.572 1.00 0.00 O ATOM 807 CB LEU A 170 -11.533 -2.818 -0.435 1.00 0.00 C ATOM 808 CG LEU A 170 -10.932 -3.562 0.770 1.00 0.00 C ATOM 809 CD1 LEU A 170 -10.590 -4.998 0.410 1.00 0.00 C ATOM 810 CD2 LEU A 170 -9.694 -2.843 1.288 1.00 0.00 C ATOM 0 H LEU A 170 -12.251 -1.681 -2.507 1.00 0.00 H new ATOM 0 HA LEU A 170 -9.879 -1.562 -0.995 1.00 0.00 H new ATOM 0 HB2 LEU A 170 -12.114 -1.974 -0.062 1.00 0.00 H new ATOM 0 HB3 LEU A 170 -12.230 -3.488 -0.939 1.00 0.00 H new ATOM 0 HG LEU A 170 -11.684 -3.575 1.559 1.00 0.00 H new ATOM 0 HD11 LEU A 170 -10.167 -5.500 1.280 1.00 0.00 H new ATOM 0 HD12 LEU A 170 -11.494 -5.519 0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 170 -9.864 -5.006 -0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 170 -9.287 -3.388 2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 170 -8.945 -2.793 0.498 1.00 0.00 H new ATOM 0 HD23 LEU A 170 -9.963 -1.833 1.598 1.00 0.00 H new ATOM 822 N GLN A 171 -10.192 -4.227 -2.909 1.00 0.00 N ATOM 823 CA GLN A 171 -9.451 -5.352 -3.475 1.00 0.00 C ATOM 824 C GLN A 171 -8.148 -4.888 -4.123 1.00 0.00 C ATOM 825 O GLN A 171 -7.090 -5.475 -3.901 1.00 0.00 O ATOM 826 CB GLN A 171 -10.308 -6.086 -4.510 1.00 0.00 C ATOM 827 CG GLN A 171 -9.617 -7.295 -5.125 1.00 0.00 C ATOM 828 CD GLN A 171 -10.446 -7.974 -6.203 1.00 0.00 C ATOM 829 OE1 GLN A 171 -11.617 -7.421 -6.501 1.00 0.00 O flip ATOM 830 NE2 GLN A 171 -10.031 -8.987 -6.768 1.00 0.00 N flip ATOM 0 H GLN A 171 -11.139 -4.119 -3.273 1.00 0.00 H new ATOM 0 HA GLN A 171 -9.206 -6.032 -2.659 1.00 0.00 H new ATOM 0 HB2 GLN A 171 -11.236 -6.409 -4.038 1.00 0.00 H new ATOM 0 HB3 GLN A 171 -10.580 -5.390 -5.304 1.00 0.00 H new ATOM 0 HG2 GLN A 171 -8.664 -6.983 -5.551 1.00 0.00 H new ATOM 0 HG3 GLN A 171 -9.393 -8.016 -4.339 1.00 0.00 H new ATOM 0 HE21 GLN A 171 -9.126 -9.380 -6.510 1.00 0.00 H new ATOM 0 HE22 GLN A 171 -10.592 -9.432 -7.494 1.00 0.00 H new ATOM 839 N ASP A 172 -8.235 -3.836 -4.930 1.00 0.00 N ATOM 840 CA ASP A 172 -7.068 -3.297 -5.619 1.00 0.00 C ATOM 841 C ASP A 172 -6.069 -2.700 -4.629 1.00 0.00 C ATOM 842 O ASP A 172 -4.858 -2.861 -4.779 1.00 0.00 O ATOM 843 CB ASP A 172 -7.499 -2.231 -6.631 1.00 0.00 C ATOM 844 CG ASP A 172 -6.343 -1.708 -7.466 1.00 0.00 C ATOM 845 OD1 ASP A 172 -5.211 -2.210 -7.301 1.00 0.00 O ATOM 846 OD2 ASP A 172 -6.572 -0.797 -8.289 1.00 0.00 O ATOM 0 H ASP A 172 -9.104 -3.338 -5.123 1.00 0.00 H new ATOM 0 HA ASP A 172 -6.579 -4.117 -6.145 1.00 0.00 H new ATOM 0 HB2 ASP A 172 -8.258 -2.650 -7.292 1.00 0.00 H new ATOM 0 HB3 ASP A 172 -7.963 -1.400 -6.100 1.00 0.00 H new ATOM 851 N SER A 173 -6.585 -1.998 -3.626 1.00 0.00 N ATOM 852 CA SER A 173 -5.743 -1.360 -2.619 1.00 0.00 C ATOM 853 C SER A 173 -4.925 -2.380 -1.831 1.00 0.00 C ATOM 854 O SER A 173 -3.707 -2.252 -1.715 1.00 0.00 O ATOM 855 CB SER A 173 -6.604 -0.537 -1.661 1.00 0.00 C ATOM 856 OG SER A 173 -7.336 0.456 -2.357 1.00 0.00 O ATOM 0 H SER A 173 -7.586 -1.856 -3.488 1.00 0.00 H new ATOM 0 HA SER A 173 -5.045 -0.706 -3.142 1.00 0.00 H new ATOM 0 HB2 SER A 173 -7.292 -1.195 -1.130 1.00 0.00 H new ATOM 0 HB3 SER A 173 -5.969 -0.066 -0.910 1.00 0.00 H new ATOM 0 HG SER A 173 -8.073 0.036 -2.848 1.00 0.00 H new ATOM 862 N LYS A 174 -5.600 -3.385 -1.285 1.00 0.00 N ATOM 863 CA LYS A 174 -4.932 -4.418 -0.498 1.00 0.00 C ATOM 864 C LYS A 174 -3.914 -5.190 -1.336 1.00 0.00 C ATOM 865 O LYS A 174 -2.816 -5.490 -0.867 1.00 0.00 O ATOM 866 CB LYS A 174 -5.956 -5.380 0.111 1.00 0.00 C ATOM 867 CG LYS A 174 -6.888 -6.011 -0.910 1.00 0.00 C ATOM 868 CD LYS A 174 -7.836 -7.021 -0.274 1.00 0.00 C ATOM 869 CE LYS A 174 -7.116 -8.292 0.158 1.00 0.00 C ATOM 870 NZ LYS A 174 -6.154 -8.047 1.269 1.00 0.00 N ATOM 0 H LYS A 174 -6.609 -3.508 -1.372 1.00 0.00 H new ATOM 0 HA LYS A 174 -4.394 -3.920 0.309 1.00 0.00 H new ATOM 0 HB2 LYS A 174 -5.426 -6.170 0.643 1.00 0.00 H new ATOM 0 HB3 LYS A 174 -6.551 -4.843 0.849 1.00 0.00 H new ATOM 0 HG2 LYS A 174 -7.468 -5.230 -1.402 1.00 0.00 H new ATOM 0 HG3 LYS A 174 -6.298 -6.505 -1.682 1.00 0.00 H new ATOM 0 HD2 LYS A 174 -8.320 -6.568 0.591 1.00 0.00 H new ATOM 0 HD3 LYS A 174 -8.623 -7.275 -0.984 1.00 0.00 H new ATOM 0 HE2 LYS A 174 -7.850 -9.034 0.473 1.00 0.00 H new ATOM 0 HE3 LYS A 174 -6.583 -8.713 -0.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 174 -6.225 -8.816 1.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 174 -5.187 -8.012 0.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 174 -6.378 -7.142 1.729 1.00 0.00 H new ATOM 884 N THR A 175 -4.283 -5.510 -2.574 1.00 0.00 N ATOM 885 CA THR A 175 -3.396 -6.250 -3.467 1.00 0.00 C ATOM 886 C THR A 175 -2.073 -5.514 -3.668 1.00 0.00 C ATOM 887 O THR A 175 -0.997 -6.105 -3.548 1.00 0.00 O ATOM 888 CB THR A 175 -4.053 -6.484 -4.841 1.00 0.00 C ATOM 889 OG1 THR A 175 -5.264 -7.232 -4.683 1.00 0.00 O ATOM 890 CG2 THR A 175 -3.114 -7.231 -5.777 1.00 0.00 C ATOM 0 H THR A 175 -5.187 -5.269 -2.980 1.00 0.00 H new ATOM 0 HA THR A 175 -3.203 -7.213 -2.993 1.00 0.00 H new ATOM 0 HB THR A 175 -4.277 -5.511 -5.278 1.00 0.00 H new ATOM 0 HG1 THR A 175 -5.875 -6.744 -4.092 1.00 0.00 H new ATOM 0 HG21 THR A 175 -3.604 -7.382 -6.739 1.00 0.00 H new ATOM 0 HG22 THR A 175 -2.204 -6.648 -5.921 1.00 0.00 H new ATOM 0 HG23 THR A 175 -2.861 -8.198 -5.343 1.00 0.00 H new ATOM 898 N LYS A 176 -2.160 -4.223 -3.969 1.00 0.00 N ATOM 899 CA LYS A 176 -0.969 -3.407 -4.183 1.00 0.00 C ATOM 900 C LYS A 176 -0.078 -3.409 -2.946 1.00 0.00 C ATOM 901 O LYS A 176 1.147 -3.474 -3.053 1.00 0.00 O ATOM 902 CB LYS A 176 -1.361 -1.973 -4.547 1.00 0.00 C ATOM 903 CG LYS A 176 -2.109 -1.863 -5.867 1.00 0.00 C ATOM 904 CD LYS A 176 -1.271 -2.343 -7.048 1.00 0.00 C ATOM 905 CE LYS A 176 -0.076 -1.434 -7.316 1.00 0.00 C ATOM 906 NZ LYS A 176 0.938 -1.497 -6.227 1.00 0.00 N ATOM 0 H LYS A 176 -3.041 -3.719 -4.070 1.00 0.00 H new ATOM 0 HA LYS A 176 -0.408 -3.840 -5.011 1.00 0.00 H new ATOM 0 HB2 LYS A 176 -1.982 -1.562 -3.751 1.00 0.00 H new ATOM 0 HB3 LYS A 176 -0.461 -1.361 -4.597 1.00 0.00 H new ATOM 0 HG2 LYS A 176 -3.026 -2.450 -5.813 1.00 0.00 H new ATOM 0 HG3 LYS A 176 -2.403 -0.826 -6.030 1.00 0.00 H new ATOM 0 HD2 LYS A 176 -0.918 -3.356 -6.853 1.00 0.00 H new ATOM 0 HD3 LYS A 176 -1.896 -2.390 -7.939 1.00 0.00 H new ATOM 0 HE2 LYS A 176 0.390 -1.718 -8.260 1.00 0.00 H new ATOM 0 HE3 LYS A 176 -0.422 -0.406 -7.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 176 1.889 -1.384 -6.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 176 0.760 -0.734 -5.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 176 0.873 -2.416 -5.745 1.00 0.00 H new ATOM 920 N ILE A 177 -0.700 -3.338 -1.772 1.00 0.00 N ATOM 921 CA ILE A 177 0.040 -3.336 -0.517 1.00 0.00 C ATOM 922 C ILE A 177 0.866 -4.608 -0.368 1.00 0.00 C ATOM 923 O ILE A 177 1.996 -4.567 0.114 1.00 0.00 O ATOM 924 CB ILE A 177 -0.899 -3.185 0.695 1.00 0.00 C ATOM 925 CG1 ILE A 177 -1.675 -1.872 0.581 1.00 0.00 C ATOM 926 CG2 ILE A 177 -0.105 -3.238 1.995 1.00 0.00 C ATOM 927 CD1 ILE A 177 -2.550 -1.562 1.776 1.00 0.00 C ATOM 0 H ILE A 177 -1.713 -3.281 -1.665 1.00 0.00 H new ATOM 0 HA ILE A 177 0.710 -2.477 -0.544 1.00 0.00 H new ATOM 0 HB ILE A 177 -1.609 -4.012 0.705 1.00 0.00 H new ATOM 0 HG12 ILE A 177 -0.967 -1.055 0.442 1.00 0.00 H new ATOM 0 HG13 ILE A 177 -2.299 -1.908 -0.312 1.00 0.00 H new ATOM 0 HG21 ILE A 177 -0.784 -3.130 2.841 1.00 0.00 H new ATOM 0 HG22 ILE A 177 0.413 -4.194 2.066 1.00 0.00 H new ATOM 0 HG23 ILE A 177 0.624 -2.428 2.009 1.00 0.00 H new ATOM 0 HD11 ILE A 177 -3.065 -0.615 1.614 1.00 0.00 H new ATOM 0 HD12 ILE A 177 -3.285 -2.357 1.905 1.00 0.00 H new ATOM 0 HD13 ILE A 177 -1.932 -1.491 2.671 1.00 0.00 H new ATOM 939 N ASP A 178 0.302 -5.733 -0.795 1.00 0.00 N ATOM 940 CA ASP A 178 1.003 -7.008 -0.718 1.00 0.00 C ATOM 941 C ASP A 178 2.282 -6.951 -1.546 1.00 0.00 C ATOM 942 O ASP A 178 3.348 -7.380 -1.099 1.00 0.00 O ATOM 943 CB ASP A 178 0.107 -8.145 -1.211 1.00 0.00 C ATOM 944 CG ASP A 178 -1.156 -8.286 -0.384 1.00 0.00 C ATOM 945 OD1 ASP A 178 -1.042 -8.515 0.838 1.00 0.00 O ATOM 946 OD2 ASP A 178 -2.259 -8.167 -0.959 1.00 0.00 O ATOM 0 H ASP A 178 -0.634 -5.787 -1.196 1.00 0.00 H new ATOM 0 HA ASP A 178 1.262 -7.200 0.323 1.00 0.00 H new ATOM 0 HB2 ASP A 178 -0.162 -7.967 -2.252 1.00 0.00 H new ATOM 0 HB3 ASP A 178 0.664 -9.082 -1.181 1.00 0.00 H new ATOM 951 N ILE A 179 2.167 -6.405 -2.755 1.00 0.00 N ATOM 952 CA ILE A 179 3.312 -6.276 -3.647 1.00 0.00 C ATOM 953 C ILE A 179 4.400 -5.428 -2.995 1.00 0.00 C ATOM 954 O ILE A 179 5.569 -5.815 -2.956 1.00 0.00 O ATOM 955 CB ILE A 179 2.911 -5.633 -4.990 1.00 0.00 C ATOM 956 CG1 ILE A 179 1.765 -6.420 -5.635 1.00 0.00 C ATOM 957 CG2 ILE A 179 4.112 -5.566 -5.925 1.00 0.00 C ATOM 958 CD1 ILE A 179 1.275 -5.826 -6.939 1.00 0.00 C ATOM 0 H ILE A 179 1.292 -6.046 -3.137 1.00 0.00 H new ATOM 0 HA ILE A 179 3.690 -7.280 -3.838 1.00 0.00 H new ATOM 0 HB ILE A 179 2.566 -4.616 -4.802 1.00 0.00 H new ATOM 0 HG12 ILE A 179 2.095 -7.443 -5.814 1.00 0.00 H new ATOM 0 HG13 ILE A 179 0.932 -6.471 -4.934 1.00 0.00 H new ATOM 0 HG21 ILE A 179 3.813 -5.110 -6.869 1.00 0.00 H new ATOM 0 HG22 ILE A 179 4.898 -4.967 -5.465 1.00 0.00 H new ATOM 0 HG23 ILE A 179 4.485 -6.573 -6.111 1.00 0.00 H new ATOM 0 HD11 ILE A 179 0.464 -6.437 -7.335 1.00 0.00 H new ATOM 0 HD12 ILE A 179 0.913 -4.813 -6.764 1.00 0.00 H new ATOM 0 HD13 ILE A 179 2.094 -5.800 -7.658 1.00 0.00 H new ATOM 970 N ILE A 180 3.998 -4.273 -2.471 1.00 0.00 N ATOM 971 CA ILE A 180 4.924 -3.367 -1.807 1.00 0.00 C ATOM 972 C ILE A 180 5.542 -4.034 -0.581 1.00 0.00 C ATOM 973 O ILE A 180 6.715 -3.828 -0.275 1.00 0.00 O ATOM 974 CB ILE A 180 4.223 -2.060 -1.378 1.00 0.00 C ATOM 975 CG1 ILE A 180 3.639 -1.347 -2.601 1.00 0.00 C ATOM 976 CG2 ILE A 180 5.198 -1.152 -0.641 1.00 0.00 C ATOM 977 CD1 ILE A 180 2.881 -0.079 -2.263 1.00 0.00 C ATOM 0 H ILE A 180 3.033 -3.944 -2.495 1.00 0.00 H new ATOM 0 HA ILE A 180 5.709 -3.123 -2.523 1.00 0.00 H new ATOM 0 HB ILE A 180 3.406 -2.307 -0.699 1.00 0.00 H new ATOM 0 HG12 ILE A 180 4.448 -1.103 -3.289 1.00 0.00 H new ATOM 0 HG13 ILE A 180 2.971 -2.031 -3.124 1.00 0.00 H new ATOM 0 HG21 ILE A 180 4.689 -0.235 -0.345 1.00 0.00 H new ATOM 0 HG22 ILE A 180 5.571 -1.663 0.247 1.00 0.00 H new ATOM 0 HG23 ILE A 180 6.034 -0.908 -1.296 1.00 0.00 H new ATOM 0 HD11 ILE A 180 2.497 0.370 -3.179 1.00 0.00 H new ATOM 0 HD12 ILE A 180 2.050 -0.318 -1.600 1.00 0.00 H new ATOM 0 HD13 ILE A 180 3.550 0.624 -1.767 1.00 0.00 H new ATOM 989 N ARG A 181 4.739 -4.839 0.110 1.00 0.00 N ATOM 990 CA ARG A 181 5.196 -5.546 1.301 1.00 0.00 C ATOM 991 C ARG A 181 6.473 -6.319 1.006 1.00 0.00 C ATOM 992 O ARG A 181 7.462 -6.208 1.732 1.00 0.00 O ATOM 993 CB ARG A 181 4.111 -6.509 1.787 1.00 0.00 C ATOM 994 CG ARG A 181 4.510 -7.311 3.014 1.00 0.00 C ATOM 995 CD ARG A 181 3.453 -8.344 3.368 1.00 0.00 C ATOM 996 NE ARG A 181 3.802 -9.102 4.569 1.00 0.00 N ATOM 997 CZ ARG A 181 4.864 -9.898 4.661 1.00 0.00 C ATOM 998 NH1 ARG A 181 5.668 -10.066 3.620 1.00 0.00 N ATOM 999 NH2 ARG A 181 5.118 -10.535 5.796 1.00 0.00 N ATOM 0 H ARG A 181 3.765 -5.018 -0.136 1.00 0.00 H new ATOM 0 HA ARG A 181 5.402 -4.812 2.080 1.00 0.00 H new ATOM 0 HB2 ARG A 181 3.209 -5.941 2.013 1.00 0.00 H new ATOM 0 HB3 ARG A 181 3.861 -7.197 0.980 1.00 0.00 H new ATOM 0 HG2 ARG A 181 5.462 -7.810 2.831 1.00 0.00 H new ATOM 0 HG3 ARG A 181 4.660 -6.638 3.858 1.00 0.00 H new ATOM 0 HD2 ARG A 181 2.496 -7.845 3.521 1.00 0.00 H new ATOM 0 HD3 ARG A 181 3.324 -9.031 2.532 1.00 0.00 H new ATOM 0 HE ARG A 181 3.195 -9.015 5.384 1.00 0.00 H new ATOM 0 HH11 ARG A 181 5.474 -9.584 2.743 1.00 0.00 H new ATOM 0 HH12 ARG A 181 6.481 -10.678 3.697 1.00 0.00 H new ATOM 0 HH21 ARG A 181 4.499 -10.415 6.598 1.00 0.00 H new ATOM 0 HH22 ARG A 181 5.932 -11.145 5.867 1.00 0.00 H new ATOM 1013 N MET A 182 6.446 -7.096 -0.070 1.00 0.00 N ATOM 1014 CA MET A 182 7.602 -7.885 -0.475 1.00 0.00 C ATOM 1015 C MET A 182 8.774 -6.982 -0.843 1.00 0.00 C ATOM 1016 O MET A 182 9.925 -7.287 -0.532 1.00 0.00 O ATOM 1017 CB MET A 182 7.237 -8.793 -1.649 1.00 0.00 C ATOM 1018 CG MET A 182 6.272 -9.905 -1.274 1.00 0.00 C ATOM 1019 SD MET A 182 5.654 -10.808 -2.706 1.00 0.00 S ATOM 1020 CE MET A 182 4.698 -9.528 -3.513 1.00 0.00 C ATOM 0 H MET A 182 5.634 -7.196 -0.679 1.00 0.00 H new ATOM 0 HA MET A 182 7.905 -8.507 0.367 1.00 0.00 H new ATOM 0 HB2 MET A 182 6.794 -8.190 -2.441 1.00 0.00 H new ATOM 0 HB3 MET A 182 8.148 -9.234 -2.055 1.00 0.00 H new ATOM 0 HG2 MET A 182 6.771 -10.601 -0.600 1.00 0.00 H new ATOM 0 HG3 MET A 182 5.430 -9.480 -0.727 1.00 0.00 H new ATOM 0 HE1 MET A 182 4.041 -9.979 -4.257 1.00 0.00 H new ATOM 0 HE2 MET A 182 4.098 -9.000 -2.772 1.00 0.00 H new ATOM 0 HE3 MET A 182 5.372 -8.825 -4.002 1.00 0.00 H new ATOM 1030 N GLN A 183 8.473 -5.865 -1.503 1.00 0.00 N ATOM 1031 CA GLN A 183 9.505 -4.914 -1.909 1.00 0.00 C ATOM 1032 C GLN A 183 10.310 -4.441 -0.701 1.00 0.00 C ATOM 1033 O GLN A 183 11.541 -4.408 -0.736 1.00 0.00 O ATOM 1034 CB GLN A 183 8.874 -3.713 -2.615 1.00 0.00 C ATOM 1035 CG GLN A 183 8.071 -4.085 -3.851 1.00 0.00 C ATOM 1036 CD GLN A 183 7.473 -2.880 -4.561 1.00 0.00 C ATOM 1037 OE1 GLN A 183 7.723 -1.685 -4.033 1.00 0.00 O flip ATOM 1038 NE2 GLN A 183 6.794 -3.025 -5.577 1.00 0.00 N flip ATOM 0 H GLN A 183 7.525 -5.597 -1.767 1.00 0.00 H new ATOM 0 HA GLN A 183 10.179 -5.420 -2.601 1.00 0.00 H new ATOM 0 HB2 GLN A 183 8.224 -3.191 -1.913 1.00 0.00 H new ATOM 0 HB3 GLN A 183 9.661 -3.015 -2.900 1.00 0.00 H new ATOM 0 HG2 GLN A 183 8.714 -4.626 -4.545 1.00 0.00 H new ATOM 0 HG3 GLN A 183 7.269 -4.765 -3.564 1.00 0.00 H new ATOM 0 HE21 GLN A 183 6.626 -3.960 -5.949 1.00 0.00 H new ATOM 0 HE22 GLN A 183 6.399 -2.210 -6.047 1.00 0.00 H new ATOM 1047 N LEU A 184 9.605 -4.084 0.367 1.00 0.00 N ATOM 1048 CA LEU A 184 10.246 -3.621 1.593 1.00 0.00 C ATOM 1049 C LEU A 184 11.130 -4.708 2.191 1.00 0.00 C ATOM 1050 O LEU A 184 12.239 -4.437 2.646 1.00 0.00 O ATOM 1051 CB LEU A 184 9.191 -3.181 2.615 1.00 0.00 C ATOM 1052 CG LEU A 184 8.659 -1.753 2.443 1.00 0.00 C ATOM 1053 CD1 LEU A 184 9.750 -0.741 2.756 1.00 0.00 C ATOM 1054 CD2 LEU A 184 8.124 -1.536 1.035 1.00 0.00 C ATOM 0 H LEU A 184 8.586 -4.106 0.409 1.00 0.00 H new ATOM 0 HA LEU A 184 10.874 -2.767 1.342 1.00 0.00 H new ATOM 0 HB2 LEU A 184 8.350 -3.872 2.563 1.00 0.00 H new ATOM 0 HB3 LEU A 184 9.618 -3.273 3.614 1.00 0.00 H new ATOM 0 HG LEU A 184 7.836 -1.611 3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 184 9.357 0.268 2.630 1.00 0.00 H new ATOM 0 HD12 LEU A 184 10.085 -0.874 3.785 1.00 0.00 H new ATOM 0 HD13 LEU A 184 10.591 -0.891 2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 184 7.753 -0.516 0.940 1.00 0.00 H new ATOM 0 HD22 LEU A 184 8.924 -1.700 0.313 1.00 0.00 H new ATOM 0 HD23 LEU A 184 7.312 -2.237 0.842 1.00 0.00 H new ATOM 1066 N ARG A 185 10.629 -5.940 2.184 1.00 0.00 N ATOM 1067 CA ARG A 185 11.372 -7.072 2.728 1.00 0.00 C ATOM 1068 C ARG A 185 12.772 -7.150 2.124 1.00 0.00 C ATOM 1069 O ARG A 185 13.760 -7.295 2.844 1.00 0.00 O ATOM 1070 CB ARG A 185 10.620 -8.377 2.457 1.00 0.00 C ATOM 1071 CG ARG A 185 9.231 -8.437 3.078 1.00 0.00 C ATOM 1072 CD ARG A 185 9.285 -8.530 4.596 1.00 0.00 C ATOM 1073 NE ARG A 185 9.778 -7.302 5.214 1.00 0.00 N ATOM 1074 CZ ARG A 185 9.929 -7.147 6.526 1.00 0.00 C ATOM 1075 NH1 ARG A 185 9.631 -8.143 7.351 1.00 0.00 N ATOM 1076 NH2 ARG A 185 10.375 -5.998 7.015 1.00 0.00 N ATOM 0 H ARG A 185 9.712 -6.180 1.808 1.00 0.00 H new ATOM 0 HA ARG A 185 11.467 -6.926 3.804 1.00 0.00 H new ATOM 0 HB2 ARG A 185 10.530 -8.515 1.379 1.00 0.00 H new ATOM 0 HB3 ARG A 185 11.212 -9.210 2.837 1.00 0.00 H new ATOM 0 HG2 ARG A 185 8.667 -7.550 2.790 1.00 0.00 H new ATOM 0 HG3 ARG A 185 8.694 -9.299 2.681 1.00 0.00 H new ATOM 0 HD2 ARG A 185 8.289 -8.751 4.979 1.00 0.00 H new ATOM 0 HD3 ARG A 185 9.929 -9.361 4.883 1.00 0.00 H new ATOM 0 HE ARG A 185 10.020 -6.520 4.606 1.00 0.00 H new ATOM 0 HH11 ARG A 185 9.286 -9.028 6.979 1.00 0.00 H new ATOM 0 HH12 ARG A 185 9.747 -8.024 8.357 1.00 0.00 H new ATOM 0 HH21 ARG A 185 10.603 -5.230 6.384 1.00 0.00 H new ATOM 0 HH22 ARG A 185 10.490 -5.882 8.022 1.00 0.00 H new ATOM 1090 N ARG A 186 12.847 -7.054 0.801 1.00 0.00 N ATOM 1091 CA ARG A 186 14.124 -7.117 0.097 1.00 0.00 C ATOM 1092 C ARG A 186 15.014 -5.927 0.447 1.00 0.00 C ATOM 1093 O ARG A 186 16.236 -6.059 0.525 1.00 0.00 O ATOM 1094 CB ARG A 186 13.897 -7.172 -1.415 1.00 0.00 C ATOM 1095 CG ARG A 186 15.185 -7.186 -2.223 1.00 0.00 C ATOM 1096 CD ARG A 186 14.912 -7.354 -3.709 1.00 0.00 C ATOM 1097 NE ARG A 186 14.290 -8.641 -4.008 1.00 0.00 N ATOM 1098 CZ ARG A 186 13.966 -9.037 -5.236 1.00 0.00 C ATOM 1099 NH1 ARG A 186 14.195 -8.246 -6.275 1.00 0.00 N ATOM 1100 NH2 ARG A 186 13.413 -10.227 -5.424 1.00 0.00 N ATOM 0 H ARG A 186 12.037 -6.932 0.193 1.00 0.00 H new ATOM 0 HA ARG A 186 14.633 -8.026 0.417 1.00 0.00 H new ATOM 0 HB2 ARG A 186 13.318 -8.063 -1.655 1.00 0.00 H new ATOM 0 HB3 ARG A 186 13.298 -6.312 -1.716 1.00 0.00 H new ATOM 0 HG2 ARG A 186 15.730 -6.257 -2.055 1.00 0.00 H new ATOM 0 HG3 ARG A 186 15.824 -7.998 -1.876 1.00 0.00 H new ATOM 0 HD2 ARG A 186 14.262 -6.549 -4.052 1.00 0.00 H new ATOM 0 HD3 ARG A 186 15.847 -7.266 -4.262 1.00 0.00 H new ATOM 0 HE ARG A 186 14.093 -9.272 -3.231 1.00 0.00 H new ATOM 0 HH11 ARG A 186 14.621 -7.330 -6.134 1.00 0.00 H new ATOM 0 HH12 ARG A 186 13.945 -8.553 -7.215 1.00 0.00 H new ATOM 0 HH21 ARG A 186 13.236 -10.839 -4.627 1.00 0.00 H new ATOM 0 HH22 ARG A 186 13.164 -10.531 -6.365 1.00 0.00 H new ATOM 1114 N ALA A 187 14.398 -4.765 0.651 1.00 0.00 N ATOM 1115 CA ALA A 187 15.143 -3.556 0.986 1.00 0.00 C ATOM 1116 C ALA A 187 15.956 -3.746 2.261 1.00 0.00 C ATOM 1117 O ALA A 187 17.122 -3.359 2.328 1.00 0.00 O ATOM 1118 CB ALA A 187 14.196 -2.372 1.129 1.00 0.00 C ATOM 0 H ALA A 187 13.388 -4.636 0.590 1.00 0.00 H new ATOM 0 HA ALA A 187 15.839 -3.352 0.172 1.00 0.00 H new ATOM 0 HB1 ALA A 187 14.767 -1.478 1.379 1.00 0.00 H new ATOM 0 HB2 ALA A 187 13.667 -2.214 0.189 1.00 0.00 H new ATOM 0 HB3 ALA A 187 13.476 -2.576 1.921 1.00 0.00 H new