USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=15 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 -171:sc= -0.605 (180deg=-0.751) USER MOD Set 1.2: A 152 TYR OH : rot 0:sc= 0 USER MOD Set 2.1: A 147 ASN : amide:sc= -0.396 K(o=0.89,f=-0.91!) USER MOD Set 2.2: A 151 THR OG1 : rot 75:sc= 1.28 USER MOD Single : A 133 LYS NZ :NH3+ 137:sc= -3.39! (180deg=-6.17!) USER MOD Single : A 134 GLN : amide:sc= -1.19 K(o=-1.2,f=-4.4!) USER MOD Single : A 140 LYS NZ :NH3+ -175:sc= -6.1! (180deg=-6.56!) USER MOD Single : A 142 LYS NZ :NH3+ -130:sc= 0.218 (180deg=-2.05!) USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 150 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.14) USER MOD Single : A 161 LYS NZ :NH3+ 165:sc= -0.0239 (180deg=-0.285) USER MOD Single : A 165 THR OG1 : rot 71:sc= 0.74 USER MOD Single : A 167 GLN :FLIP amide:sc= -0.826 F(o=-1.5!,f=-0.83) USER MOD Single : A 168 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 169 MET CE :methyl 156:sc= -0.308 (180deg=-1.01) USER MOD Single : A 171 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 173 SER OG : rot 72:sc= 0.12 USER MOD Single : A 174 LYS NZ :NH3+ -167:sc= -0.0138 (180deg=-0.207) USER MOD Single : A 175 THR OG1 : rot 65:sc= 0.00977 USER MOD Single : A 176 LYS NZ :NH3+ 180:sc=-0.000406 (180deg=-0.000406) USER MOD Single : A 182 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 183 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD ----------------------------------------------------------------- ATOM 111 N ARG A 127 15.541 5.129 -0.518 1.00 0.00 N ATOM 112 CA ARG A 127 14.748 3.918 -0.705 1.00 0.00 C ATOM 113 C ARG A 127 13.648 3.815 0.346 1.00 0.00 C ATOM 114 O ARG A 127 12.500 3.501 0.028 1.00 0.00 O ATOM 115 CB ARG A 127 15.643 2.677 -0.643 1.00 0.00 C ATOM 116 CG ARG A 127 16.718 2.649 -1.717 1.00 0.00 C ATOM 117 CD ARG A 127 17.560 1.386 -1.631 1.00 0.00 C ATOM 118 NE ARG A 127 16.757 0.177 -1.795 1.00 0.00 N ATOM 119 CZ ARG A 127 17.261 -1.054 -1.774 1.00 0.00 C ATOM 120 NH1 ARG A 127 18.564 -1.237 -1.606 1.00 0.00 N ATOM 121 NH2 ARG A 127 16.463 -2.102 -1.922 1.00 0.00 N ATOM 0 HA ARG A 127 14.282 3.973 -1.689 1.00 0.00 H new ATOM 0 HB2 ARG A 127 16.118 2.631 0.337 1.00 0.00 H new ATOM 0 HB3 ARG A 127 15.022 1.786 -0.739 1.00 0.00 H new ATOM 0 HG2 ARG A 127 16.252 2.711 -2.701 1.00 0.00 H new ATOM 0 HG3 ARG A 127 17.360 3.523 -1.613 1.00 0.00 H new ATOM 0 HD2 ARG A 127 18.333 1.414 -2.399 1.00 0.00 H new ATOM 0 HD3 ARG A 127 18.068 1.355 -0.667 1.00 0.00 H new ATOM 0 HE ARG A 127 15.752 0.283 -1.934 1.00 0.00 H new ATOM 0 HH11 ARG A 127 19.181 -0.433 -1.493 1.00 0.00 H new ATOM 0 HH12 ARG A 127 18.948 -2.182 -1.590 1.00 0.00 H new ATOM 0 HH21 ARG A 127 15.461 -1.965 -2.052 1.00 0.00 H new ATOM 0 HH22 ARG A 127 16.851 -3.045 -1.906 1.00 0.00 H new ATOM 135 N VAL A 128 14.004 4.081 1.599 1.00 0.00 N ATOM 136 CA VAL A 128 13.045 4.016 2.695 1.00 0.00 C ATOM 137 C VAL A 128 11.916 5.024 2.502 1.00 0.00 C ATOM 138 O VAL A 128 10.747 4.701 2.699 1.00 0.00 O ATOM 139 CB VAL A 128 13.721 4.274 4.056 1.00 0.00 C ATOM 140 CG1 VAL A 128 12.703 4.189 5.184 1.00 0.00 C ATOM 141 CG2 VAL A 128 14.859 3.291 4.283 1.00 0.00 C ATOM 0 H VAL A 128 14.949 4.343 1.880 1.00 0.00 H new ATOM 0 HA VAL A 128 12.633 3.007 2.690 1.00 0.00 H new ATOM 0 HB VAL A 128 14.137 5.281 4.047 1.00 0.00 H new ATOM 0 HG11 VAL A 128 13.199 4.374 6.137 1.00 0.00 H new ATOM 0 HG12 VAL A 128 11.925 4.936 5.029 1.00 0.00 H new ATOM 0 HG13 VAL A 128 12.255 3.196 5.195 1.00 0.00 H new ATOM 0 HG21 VAL A 128 15.324 3.489 5.249 1.00 0.00 H new ATOM 0 HG22 VAL A 128 14.469 2.273 4.270 1.00 0.00 H new ATOM 0 HG23 VAL A 128 15.601 3.405 3.493 1.00 0.00 H new ATOM 151 N ALA A 129 12.275 6.245 2.117 1.00 0.00 N ATOM 152 CA ALA A 129 11.292 7.299 1.899 1.00 0.00 C ATOM 153 C ALA A 129 10.275 6.891 0.839 1.00 0.00 C ATOM 154 O ALA A 129 9.073 7.102 1.004 1.00 0.00 O ATOM 155 CB ALA A 129 11.985 8.593 1.500 1.00 0.00 C ATOM 0 H ALA A 129 13.240 6.528 1.950 1.00 0.00 H new ATOM 0 HA ALA A 129 10.756 7.461 2.834 1.00 0.00 H new ATOM 0 HB1 ALA A 129 11.239 9.371 1.340 1.00 0.00 H new ATOM 0 HB2 ALA A 129 12.666 8.901 2.293 1.00 0.00 H new ATOM 0 HB3 ALA A 129 12.548 8.436 0.580 1.00 0.00 H new ATOM 161 N GLY A 130 10.766 6.305 -0.248 1.00 0.00 N ATOM 162 CA GLY A 130 9.890 5.873 -1.321 1.00 0.00 C ATOM 163 C GLY A 130 8.920 4.794 -0.880 1.00 0.00 C ATOM 164 O GLY A 130 7.741 4.832 -1.224 1.00 0.00 O ATOM 0 H GLY A 130 11.757 6.121 -0.405 1.00 0.00 H new ATOM 0 HA2 GLY A 130 9.330 6.730 -1.695 1.00 0.00 H new ATOM 0 HA3 GLY A 130 10.492 5.499 -2.149 1.00 0.00 H new ATOM 168 N LEU A 131 9.419 3.828 -0.120 1.00 0.00 N ATOM 169 CA LEU A 131 8.589 2.732 0.367 1.00 0.00 C ATOM 170 C LEU A 131 7.553 3.229 1.375 1.00 0.00 C ATOM 171 O LEU A 131 6.404 2.788 1.365 1.00 0.00 O ATOM 172 CB LEU A 131 9.463 1.648 1.002 1.00 0.00 C ATOM 173 CG LEU A 131 10.494 1.015 0.062 1.00 0.00 C ATOM 174 CD1 LEU A 131 11.352 0.008 0.810 1.00 0.00 C ATOM 175 CD2 LEU A 131 9.803 0.350 -1.120 1.00 0.00 C ATOM 0 H LEU A 131 10.395 3.780 0.173 1.00 0.00 H new ATOM 0 HA LEU A 131 8.057 2.308 -0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 131 9.987 2.079 1.855 1.00 0.00 H new ATOM 0 HB3 LEU A 131 8.816 0.861 1.390 1.00 0.00 H new ATOM 0 HG LEU A 131 11.142 1.805 -0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 131 12.078 -0.431 0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 131 11.877 0.510 1.623 1.00 0.00 H new ATOM 0 HD13 LEU A 131 10.717 -0.778 1.219 1.00 0.00 H new ATOM 0 HD21 LEU A 131 10.551 -0.094 -1.776 1.00 0.00 H new ATOM 0 HD22 LEU A 131 9.131 -0.428 -0.758 1.00 0.00 H new ATOM 0 HD23 LEU A 131 9.231 1.095 -1.673 1.00 0.00 H new ATOM 187 N GLU A 132 7.969 4.145 2.244 1.00 0.00 N ATOM 188 CA GLU A 132 7.080 4.699 3.261 1.00 0.00 C ATOM 189 C GLU A 132 5.933 5.487 2.635 1.00 0.00 C ATOM 190 O GLU A 132 4.771 5.290 2.990 1.00 0.00 O ATOM 191 CB GLU A 132 7.862 5.597 4.222 1.00 0.00 C ATOM 192 CG GLU A 132 8.906 4.859 5.044 1.00 0.00 C ATOM 193 CD GLU A 132 8.299 3.839 5.990 1.00 0.00 C ATOM 194 OE1 GLU A 132 7.672 2.875 5.504 1.00 0.00 O ATOM 195 OE2 GLU A 132 8.451 4.006 7.218 1.00 0.00 O ATOM 0 H GLU A 132 8.917 4.520 2.265 1.00 0.00 H new ATOM 0 HA GLU A 132 6.654 3.862 3.815 1.00 0.00 H new ATOM 0 HB2 GLU A 132 8.354 6.383 3.650 1.00 0.00 H new ATOM 0 HB3 GLU A 132 7.161 6.086 4.898 1.00 0.00 H new ATOM 0 HG2 GLU A 132 9.601 4.356 4.372 1.00 0.00 H new ATOM 0 HG3 GLU A 132 9.485 5.581 5.619 1.00 0.00 H new ATOM 202 N LYS A 133 6.262 6.385 1.709 1.00 0.00 N ATOM 203 CA LYS A 133 5.244 7.201 1.051 1.00 0.00 C ATOM 204 C LYS A 133 4.210 6.322 0.353 1.00 0.00 C ATOM 205 O LYS A 133 3.011 6.595 0.414 1.00 0.00 O ATOM 206 CB LYS A 133 5.882 8.173 0.053 1.00 0.00 C ATOM 207 CG LYS A 133 6.638 7.494 -1.077 1.00 0.00 C ATOM 208 CD LYS A 133 7.281 8.501 -2.025 1.00 0.00 C ATOM 209 CE LYS A 133 6.245 9.281 -2.826 1.00 0.00 C ATOM 210 NZ LYS A 133 5.427 10.185 -1.969 1.00 0.00 N ATOM 0 H LYS A 133 7.217 6.565 1.399 1.00 0.00 H new ATOM 0 HA LYS A 133 4.736 7.784 1.819 1.00 0.00 H new ATOM 0 HB2 LYS A 133 5.102 8.803 -0.373 1.00 0.00 H new ATOM 0 HB3 LYS A 133 6.566 8.831 0.589 1.00 0.00 H new ATOM 0 HG2 LYS A 133 7.409 6.847 -0.659 1.00 0.00 H new ATOM 0 HG3 LYS A 133 5.955 6.855 -1.637 1.00 0.00 H new ATOM 0 HD2 LYS A 133 7.894 9.197 -1.452 1.00 0.00 H new ATOM 0 HD3 LYS A 133 7.948 7.978 -2.710 1.00 0.00 H new ATOM 0 HE2 LYS A 133 6.750 9.870 -3.592 1.00 0.00 H new ATOM 0 HE3 LYS A 133 5.588 8.582 -3.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 5.315 11.104 -2.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 4.491 9.761 -1.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 5.904 10.322 -1.055 1.00 0.00 H new ATOM 224 N GLN A 134 4.677 5.262 -0.300 1.00 0.00 N ATOM 225 CA GLN A 134 3.787 4.339 -0.997 1.00 0.00 C ATOM 226 C GLN A 134 2.810 3.690 -0.022 1.00 0.00 C ATOM 227 O GLN A 134 1.624 3.544 -0.319 1.00 0.00 O ATOM 228 CB GLN A 134 4.596 3.259 -1.719 1.00 0.00 C ATOM 229 CG GLN A 134 5.476 3.795 -2.836 1.00 0.00 C ATOM 230 CD GLN A 134 4.677 4.391 -3.979 1.00 0.00 C ATOM 231 OE1 GLN A 134 3.933 5.355 -3.799 1.00 0.00 O ATOM 232 NE2 GLN A 134 4.829 3.818 -5.167 1.00 0.00 N ATOM 0 H GLN A 134 5.666 5.021 -0.361 1.00 0.00 H new ATOM 0 HA GLN A 134 3.219 4.908 -1.733 1.00 0.00 H new ATOM 0 HB2 GLN A 134 5.222 2.741 -0.993 1.00 0.00 H new ATOM 0 HB3 GLN A 134 3.910 2.520 -2.133 1.00 0.00 H new ATOM 0 HG2 GLN A 134 6.146 4.554 -2.432 1.00 0.00 H new ATOM 0 HG3 GLN A 134 6.102 2.989 -3.218 1.00 0.00 H new ATOM 0 HE21 GLN A 134 5.456 3.021 -5.272 1.00 0.00 H new ATOM 0 HE22 GLN A 134 4.319 4.175 -5.975 1.00 0.00 H new ATOM 241 N LEU A 135 3.322 3.303 1.142 1.00 0.00 N ATOM 242 CA LEU A 135 2.504 2.666 2.168 1.00 0.00 C ATOM 243 C LEU A 135 1.363 3.579 2.606 1.00 0.00 C ATOM 244 O LEU A 135 0.221 3.143 2.732 1.00 0.00 O ATOM 245 CB LEU A 135 3.371 2.299 3.376 1.00 0.00 C ATOM 246 CG LEU A 135 2.628 1.643 4.541 1.00 0.00 C ATOM 247 CD1 LEU A 135 2.024 0.313 4.114 1.00 0.00 C ATOM 248 CD2 LEU A 135 3.564 1.448 5.725 1.00 0.00 C ATOM 0 H LEU A 135 4.302 3.420 1.399 1.00 0.00 H new ATOM 0 HA LEU A 135 2.072 1.760 1.744 1.00 0.00 H new ATOM 0 HB2 LEU A 135 4.160 1.624 3.044 1.00 0.00 H new ATOM 0 HB3 LEU A 135 3.858 3.203 3.741 1.00 0.00 H new ATOM 0 HG LEU A 135 1.816 2.304 4.846 1.00 0.00 H new ATOM 0 HD11 LEU A 135 1.500 -0.136 4.958 1.00 0.00 H new ATOM 0 HD12 LEU A 135 1.322 0.478 3.297 1.00 0.00 H new ATOM 0 HD13 LEU A 135 2.817 -0.357 3.781 1.00 0.00 H new ATOM 0 HD21 LEU A 135 3.020 0.980 6.546 1.00 0.00 H new ATOM 0 HD22 LEU A 135 4.396 0.808 5.430 1.00 0.00 H new ATOM 0 HD23 LEU A 135 3.947 2.416 6.049 1.00 0.00 H new ATOM 260 N ALA A 136 1.683 4.843 2.840 1.00 0.00 N ATOM 261 CA ALA A 136 0.688 5.821 3.271 1.00 0.00 C ATOM 262 C ALA A 136 -0.397 6.020 2.215 1.00 0.00 C ATOM 263 O ALA A 136 -1.577 6.141 2.540 1.00 0.00 O ATOM 264 CB ALA A 136 1.361 7.145 3.594 1.00 0.00 C ATOM 0 H ALA A 136 2.626 5.219 2.739 1.00 0.00 H new ATOM 0 HA ALA A 136 0.207 5.436 4.170 1.00 0.00 H new ATOM 0 HB1 ALA A 136 0.609 7.867 3.914 1.00 0.00 H new ATOM 0 HB2 ALA A 136 2.087 6.998 4.393 1.00 0.00 H new ATOM 0 HB3 ALA A 136 1.870 7.521 2.706 1.00 0.00 H new ATOM 270 N ILE A 137 0.015 6.065 0.952 1.00 0.00 N ATOM 271 CA ILE A 137 -0.916 6.262 -0.155 1.00 0.00 C ATOM 272 C ILE A 137 -1.946 5.138 -0.239 1.00 0.00 C ATOM 273 O ILE A 137 -3.148 5.391 -0.331 1.00 0.00 O ATOM 274 CB ILE A 137 -0.162 6.360 -1.498 1.00 0.00 C ATOM 275 CG1 ILE A 137 0.782 7.566 -1.485 1.00 0.00 C ATOM 276 CG2 ILE A 137 -1.144 6.456 -2.660 1.00 0.00 C ATOM 277 CD1 ILE A 137 1.634 7.686 -2.732 1.00 0.00 C ATOM 0 H ILE A 137 0.990 5.967 0.669 1.00 0.00 H new ATOM 0 HA ILE A 137 -1.440 7.198 0.038 1.00 0.00 H new ATOM 0 HB ILE A 137 0.432 5.456 -1.632 1.00 0.00 H new ATOM 0 HG12 ILE A 137 0.193 8.476 -1.369 1.00 0.00 H new ATOM 0 HG13 ILE A 137 1.435 7.496 -0.615 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -0.593 6.524 -3.598 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -1.777 5.569 -2.675 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -1.765 7.343 -2.539 1.00 0.00 H new ATOM 0 HD11 ILE A 137 2.277 8.563 -2.651 1.00 0.00 H new ATOM 0 HD12 ILE A 137 2.250 6.793 -2.839 1.00 0.00 H new ATOM 0 HD13 ILE A 137 0.989 7.789 -3.605 1.00 0.00 H new ATOM 289 N GLU A 138 -1.473 3.897 -0.217 1.00 0.00 N ATOM 290 CA GLU A 138 -2.362 2.743 -0.301 1.00 0.00 C ATOM 291 C GLU A 138 -3.260 2.645 0.929 1.00 0.00 C ATOM 292 O GLU A 138 -4.438 2.312 0.820 1.00 0.00 O ATOM 293 CB GLU A 138 -1.548 1.459 -0.464 1.00 0.00 C ATOM 294 CG GLU A 138 -0.610 1.174 0.697 1.00 0.00 C ATOM 295 CD GLU A 138 0.229 -0.068 0.474 1.00 0.00 C ATOM 296 OE1 GLU A 138 0.088 -0.693 -0.597 1.00 0.00 O ATOM 297 OE2 GLU A 138 1.027 -0.413 1.368 1.00 0.00 O ATOM 0 H GLU A 138 -0.483 3.664 -0.142 1.00 0.00 H new ATOM 0 HA GLU A 138 -3.001 2.874 -1.175 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -2.232 0.619 -0.580 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -0.965 1.524 -1.382 1.00 0.00 H new ATOM 0 HG2 GLU A 138 0.047 2.030 0.847 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -1.193 1.055 1.610 1.00 0.00 H new ATOM 304 N LEU A 139 -2.693 2.928 2.097 1.00 0.00 N ATOM 305 CA LEU A 139 -3.441 2.865 3.351 1.00 0.00 C ATOM 306 C LEU A 139 -4.649 3.801 3.346 1.00 0.00 C ATOM 307 O LEU A 139 -5.737 3.412 3.770 1.00 0.00 O ATOM 308 CB LEU A 139 -2.533 3.199 4.536 1.00 0.00 C ATOM 309 CG LEU A 139 -1.493 2.131 4.880 1.00 0.00 C ATOM 310 CD1 LEU A 139 -0.579 2.616 5.995 1.00 0.00 C ATOM 311 CD2 LEU A 139 -2.175 0.831 5.279 1.00 0.00 C ATOM 0 H LEU A 139 -1.717 3.204 2.203 1.00 0.00 H new ATOM 0 HA LEU A 139 -3.809 1.844 3.452 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -2.014 4.134 4.324 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -3.156 3.373 5.413 1.00 0.00 H new ATOM 0 HG LEU A 139 -0.887 1.944 3.994 1.00 0.00 H new ATOM 0 HD11 LEU A 139 0.154 1.843 6.226 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -0.063 3.521 5.675 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -1.172 2.831 6.884 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -1.420 0.083 5.520 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -2.806 1.004 6.151 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -2.789 0.473 4.452 1.00 0.00 H new ATOM 323 N LYS A 140 -4.460 5.036 2.879 1.00 0.00 N ATOM 324 CA LYS A 140 -5.557 5.999 2.851 1.00 0.00 C ATOM 325 C LYS A 140 -6.648 5.553 1.879 1.00 0.00 C ATOM 326 O LYS A 140 -7.837 5.639 2.188 1.00 0.00 O ATOM 327 CB LYS A 140 -5.060 7.405 2.488 1.00 0.00 C ATOM 328 CG LYS A 140 -4.646 7.574 1.036 1.00 0.00 C ATOM 329 CD LYS A 140 -4.368 9.034 0.712 1.00 0.00 C ATOM 330 CE LYS A 140 -4.035 9.229 -0.757 1.00 0.00 C ATOM 331 NZ LYS A 140 -2.821 8.467 -1.156 1.00 0.00 N ATOM 0 H LYS A 140 -3.572 5.387 2.521 1.00 0.00 H new ATOM 0 HA LYS A 140 -5.981 6.041 3.854 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -5.848 8.124 2.714 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -4.211 7.652 3.125 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -3.755 6.978 0.837 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -5.434 7.197 0.384 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -5.239 9.637 0.971 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -3.540 9.391 1.324 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -4.881 8.910 -1.366 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -3.880 10.289 -0.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -2.578 8.692 -2.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -2.028 8.728 -0.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -3.007 7.447 -1.070 1.00 0.00 H new ATOM 345 N VAL A 141 -6.238 5.071 0.709 1.00 0.00 N ATOM 346 CA VAL A 141 -7.185 4.604 -0.298 1.00 0.00 C ATOM 347 C VAL A 141 -7.961 3.394 0.214 1.00 0.00 C ATOM 348 O VAL A 141 -9.178 3.303 0.044 1.00 0.00 O ATOM 349 CB VAL A 141 -6.471 4.228 -1.611 1.00 0.00 C ATOM 350 CG1 VAL A 141 -7.474 3.756 -2.655 1.00 0.00 C ATOM 351 CG2 VAL A 141 -5.662 5.406 -2.135 1.00 0.00 C ATOM 0 H VAL A 141 -5.258 4.994 0.436 1.00 0.00 H new ATOM 0 HA VAL A 141 -7.875 5.424 -0.497 1.00 0.00 H new ATOM 0 HB VAL A 141 -5.785 3.406 -1.404 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -6.948 3.496 -3.574 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -8.004 2.881 -2.280 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -8.189 4.553 -2.860 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -5.165 5.122 -3.063 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -6.327 6.249 -2.323 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -4.914 5.692 -1.395 1.00 0.00 H new ATOM 361 N LYS A 142 -7.243 2.474 0.847 1.00 0.00 N ATOM 362 CA LYS A 142 -7.844 1.266 1.398 1.00 0.00 C ATOM 363 C LYS A 142 -8.846 1.616 2.494 1.00 0.00 C ATOM 364 O LYS A 142 -9.939 1.053 2.555 1.00 0.00 O ATOM 365 CB LYS A 142 -6.752 0.349 1.953 1.00 0.00 C ATOM 366 CG LYS A 142 -7.276 -0.936 2.576 1.00 0.00 C ATOM 367 CD LYS A 142 -6.136 -1.814 3.065 1.00 0.00 C ATOM 368 CE LYS A 142 -6.647 -3.102 3.688 1.00 0.00 C ATOM 369 NZ LYS A 142 -7.484 -2.844 4.892 1.00 0.00 N ATOM 0 H LYS A 142 -6.236 2.543 0.992 1.00 0.00 H new ATOM 0 HA LYS A 142 -8.376 0.746 0.601 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -6.063 0.095 1.148 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -6.180 0.896 2.702 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -7.937 -0.696 3.409 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -7.871 -1.482 1.844 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -5.475 -2.050 2.231 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -5.543 -1.266 3.797 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -7.231 -3.654 2.952 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -5.801 -3.733 3.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -7.152 -3.437 5.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -7.409 -1.842 5.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -8.476 -3.073 4.680 1.00 0.00 H new ATOM 383 N GLN A 143 -8.460 2.554 3.354 1.00 0.00 N ATOM 384 CA GLN A 143 -9.318 2.992 4.450 1.00 0.00 C ATOM 385 C GLN A 143 -10.622 3.580 3.917 1.00 0.00 C ATOM 386 O GLN A 143 -11.700 3.305 4.445 1.00 0.00 O ATOM 387 CB GLN A 143 -8.589 4.029 5.307 1.00 0.00 C ATOM 388 CG GLN A 143 -9.410 4.543 6.477 1.00 0.00 C ATOM 389 CD GLN A 143 -8.671 5.584 7.295 1.00 0.00 C ATOM 390 OE1 GLN A 143 -7.607 5.313 7.851 1.00 0.00 O ATOM 391 NE2 GLN A 143 -9.231 6.785 7.369 1.00 0.00 N ATOM 0 H GLN A 143 -7.557 3.026 3.313 1.00 0.00 H new ATOM 0 HA GLN A 143 -9.557 2.124 5.065 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -7.667 3.589 5.687 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -8.304 4.872 4.677 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -10.339 4.973 6.103 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -9.682 3.706 7.121 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -10.114 6.966 6.892 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -8.778 7.527 7.903 1.00 0.00 H new ATOM 400 N GLY A 144 -10.510 4.390 2.870 1.00 0.00 N ATOM 401 CA GLY A 144 -11.682 5.009 2.276 1.00 0.00 C ATOM 402 C GLY A 144 -12.668 3.994 1.734 1.00 0.00 C ATOM 403 O GLY A 144 -13.880 4.170 1.855 1.00 0.00 O ATOM 0 H GLY A 144 -9.626 4.630 2.421 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -12.178 5.629 3.023 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -11.368 5.672 1.469 1.00 0.00 H new ATOM 407 N ALA A 145 -12.147 2.931 1.132 1.00 0.00 N ATOM 408 CA ALA A 145 -12.986 1.884 0.566 1.00 0.00 C ATOM 409 C ALA A 145 -13.692 1.101 1.662 1.00 0.00 C ATOM 410 O ALA A 145 -14.874 0.779 1.550 1.00 0.00 O ATOM 411 CB ALA A 145 -12.153 0.950 -0.298 1.00 0.00 C ATOM 0 H ALA A 145 -11.145 2.772 1.024 1.00 0.00 H new ATOM 0 HA ALA A 145 -13.746 2.356 -0.057 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -12.793 0.172 -0.715 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -11.695 1.516 -1.109 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -11.373 0.491 0.310 1.00 0.00 H new ATOM 417 N GLU A 146 -12.956 0.798 2.724 1.00 0.00 N ATOM 418 CA GLU A 146 -13.507 0.048 3.848 1.00 0.00 C ATOM 419 C GLU A 146 -14.655 0.806 4.502 1.00 0.00 C ATOM 420 O GLU A 146 -15.696 0.227 4.810 1.00 0.00 O ATOM 421 CB GLU A 146 -12.420 -0.244 4.884 1.00 0.00 C ATOM 422 CG GLU A 146 -11.296 -1.122 4.358 1.00 0.00 C ATOM 423 CD GLU A 146 -10.252 -1.426 5.415 1.00 0.00 C ATOM 424 OE1 GLU A 146 -9.624 -0.473 5.921 1.00 0.00 O ATOM 425 OE2 GLU A 146 -10.065 -2.617 5.739 1.00 0.00 O ATOM 0 H GLU A 146 -11.976 1.060 2.832 1.00 0.00 H new ATOM 0 HA GLU A 146 -13.892 -0.896 3.461 1.00 0.00 H new ATOM 0 HB2 GLU A 146 -12.000 0.699 5.233 1.00 0.00 H new ATOM 0 HB3 GLU A 146 -12.874 -0.729 5.748 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -11.714 -2.057 3.986 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -10.818 -0.627 3.512 1.00 0.00 H new ATOM 432 N ASN A 147 -14.460 2.103 4.713 1.00 0.00 N ATOM 433 CA ASN A 147 -15.482 2.937 5.334 1.00 0.00 C ATOM 434 C ASN A 147 -16.763 2.942 4.507 1.00 0.00 C ATOM 435 O ASN A 147 -17.860 2.830 5.049 1.00 0.00 O ATOM 436 CB ASN A 147 -14.967 4.365 5.512 1.00 0.00 C ATOM 437 CG ASN A 147 -15.964 5.257 6.226 1.00 0.00 C ATOM 438 OD1 ASN A 147 -17.059 5.514 5.723 1.00 0.00 O ATOM 439 ND2 ASN A 147 -15.592 5.729 7.409 1.00 0.00 N ATOM 0 H ASN A 147 -13.604 2.599 4.463 1.00 0.00 H new ATOM 0 HA ASN A 147 -15.709 2.517 6.314 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -14.034 4.344 6.076 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -14.739 4.790 4.535 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -16.223 6.330 7.939 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -14.675 5.491 7.788 1.00 0.00 H new ATOM 446 N MET A 148 -16.615 3.078 3.192 1.00 0.00 N ATOM 447 CA MET A 148 -17.766 3.102 2.293 1.00 0.00 C ATOM 448 C MET A 148 -18.516 1.771 2.314 1.00 0.00 C ATOM 449 O MET A 148 -19.738 1.741 2.446 1.00 0.00 O ATOM 450 CB MET A 148 -17.317 3.423 0.866 1.00 0.00 C ATOM 451 CG MET A 148 -16.681 4.798 0.721 1.00 0.00 C ATOM 452 SD MET A 148 -17.825 6.138 1.108 1.00 0.00 S ATOM 453 CE MET A 148 -19.073 5.898 -0.154 1.00 0.00 C ATOM 0 H MET A 148 -15.713 3.173 2.726 1.00 0.00 H new ATOM 0 HA MET A 148 -18.444 3.881 2.642 1.00 0.00 H new ATOM 0 HB2 MET A 148 -16.604 2.666 0.540 1.00 0.00 H new ATOM 0 HB3 MET A 148 -18.178 3.358 0.200 1.00 0.00 H new ATOM 0 HG2 MET A 148 -15.814 4.864 1.379 1.00 0.00 H new ATOM 0 HG3 MET A 148 -16.317 4.920 -0.299 1.00 0.00 H new ATOM 0 HE1 MET A 148 -19.763 6.741 -0.148 1.00 0.00 H new ATOM 0 HE2 MET A 148 -18.594 5.828 -1.131 1.00 0.00 H new ATOM 0 HE3 MET A 148 -19.622 4.978 0.048 1.00 0.00 H new ATOM 463 N ILE A 149 -17.778 0.672 2.177 1.00 0.00 N ATOM 464 CA ILE A 149 -18.379 -0.659 2.174 1.00 0.00 C ATOM 465 C ILE A 149 -19.125 -0.937 3.477 1.00 0.00 C ATOM 466 O ILE A 149 -20.252 -1.430 3.463 1.00 0.00 O ATOM 467 CB ILE A 149 -17.317 -1.757 1.959 1.00 0.00 C ATOM 468 CG1 ILE A 149 -16.605 -1.552 0.619 1.00 0.00 C ATOM 469 CG2 ILE A 149 -17.960 -3.136 2.018 1.00 0.00 C ATOM 470 CD1 ILE A 149 -15.474 -2.530 0.377 1.00 0.00 C ATOM 0 H ILE A 149 -16.764 0.677 2.067 1.00 0.00 H new ATOM 0 HA ILE A 149 -19.087 -0.679 1.345 1.00 0.00 H new ATOM 0 HB ILE A 149 -16.578 -1.688 2.757 1.00 0.00 H new ATOM 0 HG12 ILE A 149 -17.333 -1.644 -0.187 1.00 0.00 H new ATOM 0 HG13 ILE A 149 -16.211 -0.537 0.578 1.00 0.00 H new ATOM 0 HG21 ILE A 149 -17.198 -3.900 1.864 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -18.426 -3.279 2.993 1.00 0.00 H new ATOM 0 HG23 ILE A 149 -18.718 -3.218 1.239 1.00 0.00 H new ATOM 0 HD11 ILE A 149 -15.016 -2.325 -0.591 1.00 0.00 H new ATOM 0 HD12 ILE A 149 -14.726 -2.423 1.162 1.00 0.00 H new ATOM 0 HD13 ILE A 149 -15.865 -3.547 0.385 1.00 0.00 H new ATOM 482 N GLN A 150 -18.485 -0.626 4.599 1.00 0.00 N ATOM 483 CA GLN A 150 -19.088 -0.851 5.909 1.00 0.00 C ATOM 484 C GLN A 150 -20.314 0.033 6.118 1.00 0.00 C ATOM 485 O GLN A 150 -21.324 -0.416 6.657 1.00 0.00 O ATOM 486 CB GLN A 150 -18.064 -0.604 7.015 1.00 0.00 C ATOM 487 CG GLN A 150 -16.875 -1.551 6.959 1.00 0.00 C ATOM 488 CD GLN A 150 -17.280 -3.004 7.108 1.00 0.00 C ATOM 489 OE1 GLN A 150 -17.857 -3.400 8.121 1.00 0.00 O ATOM 490 NE2 GLN A 150 -16.977 -3.809 6.096 1.00 0.00 N ATOM 0 H GLN A 150 -17.551 -0.218 4.629 1.00 0.00 H new ATOM 0 HA GLN A 150 -19.413 -1.890 5.951 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -17.705 0.423 6.945 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -18.554 -0.705 7.983 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -16.354 -1.418 6.011 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -16.171 -1.291 7.749 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -16.498 -3.438 5.275 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -17.223 -4.798 6.140 1.00 0.00 H new ATOM 499 N THR A 151 -20.222 1.289 5.689 1.00 0.00 N ATOM 500 CA THR A 151 -21.332 2.225 5.835 1.00 0.00 C ATOM 501 C THR A 151 -22.582 1.701 5.135 1.00 0.00 C ATOM 502 O THR A 151 -23.679 1.734 5.693 1.00 0.00 O ATOM 503 CB THR A 151 -20.978 3.615 5.266 1.00 0.00 C ATOM 504 OG1 THR A 151 -19.876 4.174 5.990 1.00 0.00 O ATOM 505 CG2 THR A 151 -22.170 4.559 5.345 1.00 0.00 C ATOM 0 H THR A 151 -19.394 1.680 5.240 1.00 0.00 H new ATOM 0 HA THR A 151 -21.528 2.322 6.903 1.00 0.00 H new ATOM 0 HB THR A 151 -20.703 3.491 4.218 1.00 0.00 H new ATOM 0 HG1 THR A 151 -19.048 3.723 5.725 1.00 0.00 H new ATOM 0 HG21 THR A 151 -21.892 5.531 4.937 1.00 0.00 H new ATOM 0 HG22 THR A 151 -22.999 4.147 4.769 1.00 0.00 H new ATOM 0 HG23 THR A 151 -22.474 4.675 6.385 1.00 0.00 H new ATOM 513 N TYR A 152 -22.407 1.212 3.913 1.00 0.00 N ATOM 514 CA TYR A 152 -23.517 0.672 3.135 1.00 0.00 C ATOM 515 C TYR A 152 -24.067 -0.595 3.786 1.00 0.00 C ATOM 516 O TYR A 152 -25.277 -0.747 3.950 1.00 0.00 O ATOM 517 CB TYR A 152 -23.068 0.368 1.701 1.00 0.00 C ATOM 518 CG TYR A 152 -22.774 1.596 0.856 1.00 0.00 C ATOM 519 CD1 TYR A 152 -22.316 2.780 1.428 1.00 0.00 C ATOM 520 CD2 TYR A 152 -22.955 1.566 -0.522 1.00 0.00 C ATOM 521 CE1 TYR A 152 -22.050 3.893 0.654 1.00 0.00 C ATOM 522 CE2 TYR A 152 -22.688 2.676 -1.303 1.00 0.00 C ATOM 523 CZ TYR A 152 -22.236 3.836 -0.711 1.00 0.00 C ATOM 524 OH TYR A 152 -21.970 4.942 -1.486 1.00 0.00 O ATOM 0 H TYR A 152 -21.505 1.178 3.438 1.00 0.00 H new ATOM 0 HA TYR A 152 -24.307 1.422 3.107 1.00 0.00 H new ATOM 0 HB2 TYR A 152 -22.173 -0.254 1.739 1.00 0.00 H new ATOM 0 HB3 TYR A 152 -23.843 -0.219 1.208 1.00 0.00 H new ATOM 0 HD1 TYR A 152 -22.166 2.829 2.496 1.00 0.00 H new ATOM 0 HD2 TYR A 152 -23.310 0.660 -0.991 1.00 0.00 H new ATOM 0 HE1 TYR A 152 -21.698 4.804 1.116 1.00 0.00 H new ATOM 0 HE2 TYR A 152 -22.833 2.634 -2.372 1.00 0.00 H new ATOM 0 HH TYR A 152 -21.660 5.675 -0.914 1.00 0.00 H new ATOM 649 N LYS A 161 -24.942 -0.363 -6.678 1.00 0.00 N ATOM 650 CA LYS A 161 -24.062 0.127 -7.736 1.00 0.00 C ATOM 651 C LYS A 161 -22.759 0.672 -7.154 1.00 0.00 C ATOM 652 O LYS A 161 -21.671 0.217 -7.512 1.00 0.00 O ATOM 653 CB LYS A 161 -24.768 1.215 -8.548 1.00 0.00 C ATOM 654 CG LYS A 161 -23.947 1.730 -9.720 1.00 0.00 C ATOM 655 CD LYS A 161 -24.687 2.815 -10.483 1.00 0.00 C ATOM 656 CE LYS A 161 -23.880 3.307 -11.674 1.00 0.00 C ATOM 657 NZ LYS A 161 -23.607 2.214 -12.649 1.00 0.00 N ATOM 0 HA LYS A 161 -23.821 -0.709 -8.392 1.00 0.00 H new ATOM 0 HB2 LYS A 161 -25.713 0.821 -8.922 1.00 0.00 H new ATOM 0 HB3 LYS A 161 -25.009 2.049 -7.889 1.00 0.00 H new ATOM 0 HG2 LYS A 161 -22.998 2.123 -9.356 1.00 0.00 H new ATOM 0 HG3 LYS A 161 -23.714 0.905 -10.393 1.00 0.00 H new ATOM 0 HD2 LYS A 161 -25.647 2.430 -10.827 1.00 0.00 H new ATOM 0 HD3 LYS A 161 -24.899 3.650 -9.816 1.00 0.00 H new ATOM 0 HE2 LYS A 161 -24.421 4.111 -12.172 1.00 0.00 H new ATOM 0 HE3 LYS A 161 -22.936 3.726 -11.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 -23.286 2.624 -13.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 -22.867 1.588 -12.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 -24.476 1.666 -12.808 1.00 0.00 H new ATOM 671 N LEU A 162 -22.876 1.639 -6.250 1.00 0.00 N ATOM 672 CA LEU A 162 -21.705 2.233 -5.615 1.00 0.00 C ATOM 673 C LEU A 162 -21.024 1.236 -4.688 1.00 0.00 C ATOM 674 O LEU A 162 -19.804 1.257 -4.536 1.00 0.00 O ATOM 675 CB LEU A 162 -22.085 3.503 -4.849 1.00 0.00 C ATOM 676 CG LEU A 162 -22.191 4.770 -5.704 1.00 0.00 C ATOM 677 CD1 LEU A 162 -23.233 4.603 -6.798 1.00 0.00 C ATOM 678 CD2 LEU A 162 -22.517 5.974 -4.834 1.00 0.00 C ATOM 0 H LEU A 162 -23.767 2.027 -5.941 1.00 0.00 H new ATOM 0 HA LEU A 162 -21.001 2.505 -6.401 1.00 0.00 H new ATOM 0 HB2 LEU A 162 -23.041 3.337 -4.353 1.00 0.00 H new ATOM 0 HB3 LEU A 162 -21.345 3.672 -4.067 1.00 0.00 H new ATOM 0 HG LEU A 162 -21.226 4.939 -6.181 1.00 0.00 H new ATOM 0 HD11 LEU A 162 -23.288 5.516 -7.390 1.00 0.00 H new ATOM 0 HD12 LEU A 162 -22.954 3.769 -7.442 1.00 0.00 H new ATOM 0 HD13 LEU A 162 -24.205 4.403 -6.347 1.00 0.00 H new ATOM 0 HD21 LEU A 162 -22.588 6.865 -5.458 1.00 0.00 H new ATOM 0 HD22 LEU A 162 -23.467 5.809 -4.326 1.00 0.00 H new ATOM 0 HD23 LEU A 162 -21.729 6.112 -4.094 1.00 0.00 H new ATOM 690 N LEU A 163 -21.814 0.357 -4.076 1.00 0.00 N ATOM 691 CA LEU A 163 -21.270 -0.653 -3.174 1.00 0.00 C ATOM 692 C LEU A 163 -20.193 -1.464 -3.880 1.00 0.00 C ATOM 693 O LEU A 163 -19.084 -1.619 -3.370 1.00 0.00 O ATOM 694 CB LEU A 163 -22.379 -1.581 -2.671 1.00 0.00 C ATOM 695 CG LEU A 163 -21.900 -2.785 -1.852 1.00 0.00 C ATOM 696 CD1 LEU A 163 -21.111 -2.332 -0.634 1.00 0.00 C ATOM 697 CD2 LEU A 163 -23.081 -3.645 -1.432 1.00 0.00 C ATOM 0 H LEU A 163 -22.827 0.324 -4.188 1.00 0.00 H new ATOM 0 HA LEU A 163 -20.827 -0.145 -2.317 1.00 0.00 H new ATOM 0 HB2 LEU A 163 -23.070 -0.999 -2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -22.942 -1.947 -3.530 1.00 0.00 H new ATOM 0 HG LEU A 163 -21.240 -3.384 -2.480 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -20.782 -3.204 -0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -20.242 -1.759 -0.956 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -21.743 -1.708 -0.003 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -22.724 -4.495 -0.851 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -23.765 -3.052 -0.824 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -23.603 -4.005 -2.319 1.00 0.00 H new ATOM 709 N LEU A 164 -20.523 -1.965 -5.066 1.00 0.00 N ATOM 710 CA LEU A 164 -19.580 -2.745 -5.853 1.00 0.00 C ATOM 711 C LEU A 164 -18.400 -1.872 -6.262 1.00 0.00 C ATOM 712 O LEU A 164 -17.255 -2.323 -6.280 1.00 0.00 O ATOM 713 CB LEU A 164 -20.265 -3.321 -7.095 1.00 0.00 C ATOM 714 CG LEU A 164 -21.491 -4.196 -6.816 1.00 0.00 C ATOM 715 CD1 LEU A 164 -22.101 -4.689 -8.119 1.00 0.00 C ATOM 716 CD2 LEU A 164 -21.118 -5.373 -5.923 1.00 0.00 C ATOM 0 H LEU A 164 -21.437 -1.844 -5.502 1.00 0.00 H new ATOM 0 HA LEU A 164 -19.217 -3.573 -5.244 1.00 0.00 H new ATOM 0 HB2 LEU A 164 -20.567 -2.496 -7.740 1.00 0.00 H new ATOM 0 HB3 LEU A 164 -19.537 -3.911 -7.652 1.00 0.00 H new ATOM 0 HG LEU A 164 -22.233 -3.591 -6.294 1.00 0.00 H new ATOM 0 HD11 LEU A 164 -22.971 -5.309 -7.902 1.00 0.00 H new ATOM 0 HD12 LEU A 164 -22.406 -3.835 -8.724 1.00 0.00 H new ATOM 0 HD13 LEU A 164 -21.364 -5.277 -8.666 1.00 0.00 H new ATOM 0 HD21 LEU A 164 -22.002 -5.983 -5.736 1.00 0.00 H new ATOM 0 HD22 LEU A 164 -20.358 -5.978 -6.417 1.00 0.00 H new ATOM 0 HD23 LEU A 164 -20.727 -5.001 -4.976 1.00 0.00 H new ATOM 728 N THR A 165 -18.696 -0.615 -6.582 1.00 0.00 N ATOM 729 CA THR A 165 -17.674 0.343 -6.987 1.00 0.00 C ATOM 730 C THR A 165 -16.591 0.476 -5.919 1.00 0.00 C ATOM 731 O THR A 165 -15.397 0.415 -6.218 1.00 0.00 O ATOM 732 CB THR A 165 -18.299 1.728 -7.255 1.00 0.00 C ATOM 733 OG1 THR A 165 -19.264 1.631 -8.310 1.00 0.00 O ATOM 734 CG2 THR A 165 -17.239 2.751 -7.628 1.00 0.00 C ATOM 0 H THR A 165 -19.643 -0.235 -6.568 1.00 0.00 H new ATOM 0 HA THR A 165 -17.221 -0.031 -7.905 1.00 0.00 H new ATOM 0 HB THR A 165 -18.786 2.060 -6.338 1.00 0.00 H new ATOM 0 HG1 THR A 165 -20.052 1.145 -7.989 1.00 0.00 H new ATOM 0 HG21 THR A 165 -17.713 3.716 -7.810 1.00 0.00 H new ATOM 0 HG22 THR A 165 -16.523 2.847 -6.812 1.00 0.00 H new ATOM 0 HG23 THR A 165 -16.720 2.425 -8.530 1.00 0.00 H new ATOM 742 N ALA A 166 -17.017 0.654 -4.671 1.00 0.00 N ATOM 743 CA ALA A 166 -16.088 0.793 -3.554 1.00 0.00 C ATOM 744 C ALA A 166 -15.322 -0.504 -3.320 1.00 0.00 C ATOM 745 O ALA A 166 -14.115 -0.489 -3.081 1.00 0.00 O ATOM 746 CB ALA A 166 -16.836 1.206 -2.295 1.00 0.00 C ATOM 0 H ALA A 166 -18.001 0.705 -4.408 1.00 0.00 H new ATOM 0 HA ALA A 166 -15.366 1.571 -3.803 1.00 0.00 H new ATOM 0 HB1 ALA A 166 -16.131 1.306 -1.469 1.00 0.00 H new ATOM 0 HB2 ALA A 166 -17.334 2.160 -2.464 1.00 0.00 H new ATOM 0 HB3 ALA A 166 -17.579 0.448 -2.048 1.00 0.00 H new ATOM 752 N GLN A 167 -16.034 -1.624 -3.396 1.00 0.00 N ATOM 753 CA GLN A 167 -15.427 -2.935 -3.200 1.00 0.00 C ATOM 754 C GLN A 167 -14.280 -3.142 -4.180 1.00 0.00 C ATOM 755 O GLN A 167 -13.214 -3.635 -3.809 1.00 0.00 O ATOM 756 CB GLN A 167 -16.478 -4.033 -3.367 1.00 0.00 C ATOM 757 CG GLN A 167 -17.564 -3.994 -2.304 1.00 0.00 C ATOM 758 CD GLN A 167 -18.686 -4.989 -2.553 1.00 0.00 C ATOM 759 OE1 GLN A 167 -18.625 -5.699 -3.674 1.00 0.00 O flip ATOM 760 NE2 GLN A 167 -19.606 -5.114 -1.744 1.00 0.00 N flip ATOM 0 H GLN A 167 -17.035 -1.649 -3.592 1.00 0.00 H new ATOM 0 HA GLN A 167 -15.027 -2.987 -2.187 1.00 0.00 H new ATOM 0 HB2 GLN A 167 -16.939 -3.939 -4.350 1.00 0.00 H new ATOM 0 HB3 GLN A 167 -15.986 -5.005 -3.338 1.00 0.00 H new ATOM 0 HG2 GLN A 167 -17.117 -4.197 -1.331 1.00 0.00 H new ATOM 0 HG3 GLN A 167 -17.983 -2.989 -2.259 1.00 0.00 H new ATOM 0 HE21 GLN A 167 -19.618 -4.550 -0.894 1.00 0.00 H new ATOM 0 HE22 GLN A 167 -20.356 -5.781 -1.924 1.00 0.00 H new ATOM 769 N GLN A 168 -14.499 -2.744 -5.430 1.00 0.00 N ATOM 770 CA GLN A 168 -13.489 -2.863 -6.457 1.00 0.00 C ATOM 771 C GLN A 168 -12.263 -2.041 -6.087 1.00 0.00 C ATOM 772 O GLN A 168 -11.127 -2.486 -6.258 1.00 0.00 O ATOM 773 CB GLN A 168 -14.064 -2.397 -7.785 1.00 0.00 C ATOM 774 CG GLN A 168 -15.172 -3.291 -8.318 1.00 0.00 C ATOM 775 CD GLN A 168 -15.745 -2.810 -9.641 1.00 0.00 C ATOM 776 OE1 GLN A 168 -15.223 -1.701 -10.156 1.00 0.00 O flip ATOM 777 NE2 GLN A 168 -16.650 -3.434 -10.197 1.00 0.00 N flip ATOM 0 H GLN A 168 -15.377 -2.334 -5.750 1.00 0.00 H new ATOM 0 HA GLN A 168 -13.184 -3.906 -6.547 1.00 0.00 H new ATOM 0 HB2 GLN A 168 -14.451 -1.385 -7.668 1.00 0.00 H new ATOM 0 HB3 GLN A 168 -13.262 -2.349 -8.521 1.00 0.00 H new ATOM 0 HG2 GLN A 168 -14.785 -4.302 -8.443 1.00 0.00 H new ATOM 0 HG3 GLN A 168 -15.973 -3.345 -7.581 1.00 0.00 H new ATOM 0 HE21 GLN A 168 -17.023 -4.281 -9.769 1.00 0.00 H new ATOM 0 HE22 GLN A 168 -17.026 -3.104 -11.086 1.00 0.00 H new ATOM 786 N MET A 169 -12.504 -0.841 -5.563 1.00 0.00 N ATOM 787 CA MET A 169 -11.423 0.044 -5.148 1.00 0.00 C ATOM 788 C MET A 169 -10.555 -0.632 -4.095 1.00 0.00 C ATOM 789 O MET A 169 -9.328 -0.620 -4.182 1.00 0.00 O ATOM 790 CB MET A 169 -11.988 1.345 -4.581 1.00 0.00 C ATOM 791 CG MET A 169 -12.700 2.209 -5.606 1.00 0.00 C ATOM 792 SD MET A 169 -13.441 3.678 -4.869 1.00 0.00 S ATOM 793 CE MET A 169 -12.040 4.345 -3.973 1.00 0.00 C ATOM 0 H MET A 169 -13.439 -0.461 -5.417 1.00 0.00 H new ATOM 0 HA MET A 169 -10.813 0.268 -6.023 1.00 0.00 H new ATOM 0 HB2 MET A 169 -12.684 1.107 -3.776 1.00 0.00 H new ATOM 0 HB3 MET A 169 -11.174 1.920 -4.139 1.00 0.00 H new ATOM 0 HG2 MET A 169 -11.992 2.511 -6.378 1.00 0.00 H new ATOM 0 HG3 MET A 169 -13.476 1.621 -6.097 1.00 0.00 H new ATOM 0 HE1 MET A 169 -12.179 5.416 -3.826 1.00 0.00 H new ATOM 0 HE2 MET A 169 -11.960 3.853 -3.004 1.00 0.00 H new ATOM 0 HE3 MET A 169 -11.128 4.173 -4.544 1.00 0.00 H new ATOM 803 N LEU A 170 -11.209 -1.220 -3.097 1.00 0.00 N ATOM 804 CA LEU A 170 -10.509 -1.904 -2.018 1.00 0.00 C ATOM 805 C LEU A 170 -9.633 -3.027 -2.564 1.00 0.00 C ATOM 806 O LEU A 170 -8.510 -3.228 -2.104 1.00 0.00 O ATOM 807 CB LEU A 170 -11.509 -2.466 -1.004 1.00 0.00 C ATOM 808 CG LEU A 170 -10.884 -3.164 0.205 1.00 0.00 C ATOM 809 CD1 LEU A 170 -10.018 -2.195 0.995 1.00 0.00 C ATOM 810 CD2 LEU A 170 -11.964 -3.756 1.096 1.00 0.00 C ATOM 0 H LEU A 170 -12.226 -1.235 -3.015 1.00 0.00 H new ATOM 0 HA LEU A 170 -9.868 -1.178 -1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 170 -12.139 -1.651 -0.648 1.00 0.00 H new ATOM 0 HB3 LEU A 170 -12.162 -3.173 -1.515 1.00 0.00 H new ATOM 0 HG LEU A 170 -10.251 -3.974 -0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 170 -9.583 -2.711 1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 170 -9.221 -1.815 0.356 1.00 0.00 H new ATOM 0 HD13 LEU A 170 -10.629 -1.363 1.345 1.00 0.00 H new ATOM 0 HD21 LEU A 170 -11.501 -4.249 1.951 1.00 0.00 H new ATOM 0 HD22 LEU A 170 -12.622 -2.961 1.448 1.00 0.00 H new ATOM 0 HD23 LEU A 170 -12.545 -4.483 0.529 1.00 0.00 H new ATOM 822 N GLN A 171 -10.156 -3.757 -3.546 1.00 0.00 N ATOM 823 CA GLN A 171 -9.421 -4.862 -4.153 1.00 0.00 C ATOM 824 C GLN A 171 -8.093 -4.381 -4.729 1.00 0.00 C ATOM 825 O GLN A 171 -7.046 -4.984 -4.488 1.00 0.00 O ATOM 826 CB GLN A 171 -10.260 -5.516 -5.254 1.00 0.00 C ATOM 827 CG GLN A 171 -9.570 -6.694 -5.924 1.00 0.00 C ATOM 828 CD GLN A 171 -10.419 -7.335 -7.003 1.00 0.00 C ATOM 829 OE1 GLN A 171 -10.783 -6.693 -7.987 1.00 0.00 O ATOM 830 NE2 GLN A 171 -10.743 -8.611 -6.821 1.00 0.00 N ATOM 0 H GLN A 171 -11.085 -3.603 -3.938 1.00 0.00 H new ATOM 0 HA GLN A 171 -9.214 -5.598 -3.376 1.00 0.00 H new ATOM 0 HB2 GLN A 171 -11.205 -5.853 -4.828 1.00 0.00 H new ATOM 0 HB3 GLN A 171 -10.500 -4.768 -6.010 1.00 0.00 H new ATOM 0 HG2 GLN A 171 -8.629 -6.358 -6.360 1.00 0.00 H new ATOM 0 HG3 GLN A 171 -9.323 -7.442 -5.170 1.00 0.00 H new ATOM 0 HE21 GLN A 171 -10.419 -9.106 -5.990 1.00 0.00 H new ATOM 0 HE22 GLN A 171 -11.315 -9.096 -7.513 1.00 0.00 H new ATOM 839 N ASP A 172 -8.143 -3.289 -5.487 1.00 0.00 N ATOM 840 CA ASP A 172 -6.942 -2.724 -6.091 1.00 0.00 C ATOM 841 C ASP A 172 -5.944 -2.322 -5.013 1.00 0.00 C ATOM 842 O ASP A 172 -4.743 -2.570 -5.137 1.00 0.00 O ATOM 843 CB ASP A 172 -7.302 -1.511 -6.955 1.00 0.00 C ATOM 844 CG ASP A 172 -6.100 -0.923 -7.668 1.00 0.00 C ATOM 845 OD1 ASP A 172 -5.159 -0.473 -6.979 1.00 0.00 O ATOM 846 OD2 ASP A 172 -6.099 -0.910 -8.917 1.00 0.00 O ATOM 0 H ASP A 172 -9.001 -2.779 -5.697 1.00 0.00 H new ATOM 0 HA ASP A 172 -6.484 -3.483 -6.725 1.00 0.00 H new ATOM 0 HB2 ASP A 172 -8.049 -1.804 -7.692 1.00 0.00 H new ATOM 0 HB3 ASP A 172 -7.757 -0.745 -6.327 1.00 0.00 H new ATOM 851 N SER A 173 -6.453 -1.702 -3.952 1.00 0.00 N ATOM 852 CA SER A 173 -5.613 -1.265 -2.845 1.00 0.00 C ATOM 853 C SER A 173 -4.876 -2.447 -2.227 1.00 0.00 C ATOM 854 O SER A 173 -3.675 -2.376 -1.978 1.00 0.00 O ATOM 855 CB SER A 173 -6.458 -0.563 -1.780 1.00 0.00 C ATOM 856 OG SER A 173 -7.117 0.570 -2.319 1.00 0.00 O ATOM 0 H SER A 173 -7.444 -1.491 -3.837 1.00 0.00 H new ATOM 0 HA SER A 173 -4.877 -0.562 -3.235 1.00 0.00 H new ATOM 0 HB2 SER A 173 -7.194 -1.259 -1.378 1.00 0.00 H new ATOM 0 HB3 SER A 173 -5.822 -0.257 -0.950 1.00 0.00 H new ATOM 0 HG SER A 173 -7.842 0.277 -2.910 1.00 0.00 H new ATOM 862 N LYS A 174 -5.603 -3.538 -1.992 1.00 0.00 N ATOM 863 CA LYS A 174 -5.012 -4.738 -1.410 1.00 0.00 C ATOM 864 C LYS A 174 -3.815 -5.195 -2.232 1.00 0.00 C ATOM 865 O LYS A 174 -2.779 -5.571 -1.683 1.00 0.00 O ATOM 866 CB LYS A 174 -6.049 -5.862 -1.329 1.00 0.00 C ATOM 867 CG LYS A 174 -7.223 -5.548 -0.413 1.00 0.00 C ATOM 868 CD LYS A 174 -6.773 -5.333 1.025 1.00 0.00 C ATOM 869 CE LYS A 174 -6.149 -6.591 1.613 1.00 0.00 C ATOM 870 NZ LYS A 174 -7.113 -7.725 1.642 1.00 0.00 N ATOM 0 H LYS A 174 -6.600 -3.614 -2.196 1.00 0.00 H new ATOM 0 HA LYS A 174 -4.675 -4.497 -0.402 1.00 0.00 H new ATOM 0 HB2 LYS A 174 -6.426 -6.069 -2.330 1.00 0.00 H new ATOM 0 HB3 LYS A 174 -5.560 -6.771 -0.979 1.00 0.00 H new ATOM 0 HG2 LYS A 174 -7.736 -4.655 -0.771 1.00 0.00 H new ATOM 0 HG3 LYS A 174 -7.943 -6.366 -0.451 1.00 0.00 H new ATOM 0 HD2 LYS A 174 -6.051 -4.517 1.062 1.00 0.00 H new ATOM 0 HD3 LYS A 174 -7.627 -5.032 1.632 1.00 0.00 H new ATOM 0 HE2 LYS A 174 -5.275 -6.872 1.025 1.00 0.00 H new ATOM 0 HE3 LYS A 174 -5.800 -6.385 2.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 174 -6.735 -8.487 2.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 174 -8.021 -7.399 2.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 174 -7.258 -8.082 0.676 1.00 0.00 H new ATOM 884 N THR A 175 -3.962 -5.145 -3.551 1.00 0.00 N ATOM 885 CA THR A 175 -2.888 -5.539 -4.450 1.00 0.00 C ATOM 886 C THR A 175 -1.645 -4.692 -4.201 1.00 0.00 C ATOM 887 O THR A 175 -0.524 -5.199 -4.202 1.00 0.00 O ATOM 888 CB THR A 175 -3.312 -5.402 -5.926 1.00 0.00 C ATOM 889 OG1 THR A 175 -4.466 -6.210 -6.181 1.00 0.00 O ATOM 890 CG2 THR A 175 -2.182 -5.817 -6.857 1.00 0.00 C ATOM 0 H THR A 175 -4.814 -4.836 -4.019 1.00 0.00 H new ATOM 0 HA THR A 175 -2.662 -6.586 -4.249 1.00 0.00 H new ATOM 0 HB THR A 175 -3.551 -4.355 -6.115 1.00 0.00 H new ATOM 0 HG1 THR A 175 -5.223 -5.873 -5.658 1.00 0.00 H new ATOM 0 HG21 THR A 175 -2.506 -5.711 -7.892 1.00 0.00 H new ATOM 0 HG22 THR A 175 -1.314 -5.181 -6.682 1.00 0.00 H new ATOM 0 HG23 THR A 175 -1.915 -6.856 -6.665 1.00 0.00 H new ATOM 898 N LYS A 176 -1.856 -3.396 -3.983 1.00 0.00 N ATOM 899 CA LYS A 176 -0.755 -2.474 -3.727 1.00 0.00 C ATOM 900 C LYS A 176 0.049 -2.900 -2.500 1.00 0.00 C ATOM 901 O LYS A 176 1.278 -2.927 -2.536 1.00 0.00 O ATOM 902 CB LYS A 176 -1.284 -1.052 -3.533 1.00 0.00 C ATOM 903 CG LYS A 176 -2.041 -0.511 -4.737 1.00 0.00 C ATOM 904 CD LYS A 176 -2.508 0.920 -4.511 1.00 0.00 C ATOM 905 CE LYS A 176 -1.334 1.874 -4.346 1.00 0.00 C ATOM 906 NZ LYS A 176 -1.784 3.276 -4.114 1.00 0.00 N ATOM 0 H LYS A 176 -2.779 -2.962 -3.979 1.00 0.00 H new ATOM 0 HA LYS A 176 -0.095 -2.496 -4.594 1.00 0.00 H new ATOM 0 HB2 LYS A 176 -1.941 -1.034 -2.664 1.00 0.00 H new ATOM 0 HB3 LYS A 176 -0.447 -0.389 -3.314 1.00 0.00 H new ATOM 0 HG2 LYS A 176 -1.400 -0.550 -5.618 1.00 0.00 H new ATOM 0 HG3 LYS A 176 -2.902 -1.147 -4.941 1.00 0.00 H new ATOM 0 HD2 LYS A 176 -3.122 1.240 -5.353 1.00 0.00 H new ATOM 0 HD3 LYS A 176 -3.139 0.961 -3.623 1.00 0.00 H new ATOM 0 HE2 LYS A 176 -0.716 1.548 -3.509 1.00 0.00 H new ATOM 0 HE3 LYS A 176 -0.708 1.837 -5.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 176 -0.954 3.894 -4.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 176 -2.352 3.597 -4.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 176 -2.360 3.317 -3.249 1.00 0.00 H new ATOM 920 N ILE A 177 -0.650 -3.231 -1.415 1.00 0.00 N ATOM 921 CA ILE A 177 0.009 -3.654 -0.182 1.00 0.00 C ATOM 922 C ILE A 177 0.880 -4.889 -0.413 1.00 0.00 C ATOM 923 O ILE A 177 1.992 -4.974 0.101 1.00 0.00 O ATOM 924 CB ILE A 177 -1.011 -3.952 0.948 1.00 0.00 C ATOM 925 CG1 ILE A 177 -1.574 -2.653 1.537 1.00 0.00 C ATOM 926 CG2 ILE A 177 -0.370 -4.789 2.047 1.00 0.00 C ATOM 927 CD1 ILE A 177 -2.469 -1.881 0.593 1.00 0.00 C ATOM 0 H ILE A 177 -1.669 -3.214 -1.365 1.00 0.00 H new ATOM 0 HA ILE A 177 0.640 -2.822 0.130 1.00 0.00 H new ATOM 0 HB ILE A 177 -1.834 -4.518 0.512 1.00 0.00 H new ATOM 0 HG12 ILE A 177 -2.136 -2.890 2.440 1.00 0.00 H new ATOM 0 HG13 ILE A 177 -0.744 -2.014 1.837 1.00 0.00 H new ATOM 0 HG21 ILE A 177 -1.103 -4.986 2.829 1.00 0.00 H new ATOM 0 HG22 ILE A 177 -0.023 -5.734 1.629 1.00 0.00 H new ATOM 0 HG23 ILE A 177 0.475 -4.247 2.471 1.00 0.00 H new ATOM 0 HD11 ILE A 177 -2.825 -0.977 1.087 1.00 0.00 H new ATOM 0 HD12 ILE A 177 -1.907 -1.609 -0.301 1.00 0.00 H new ATOM 0 HD13 ILE A 177 -3.321 -2.500 0.312 1.00 0.00 H new ATOM 939 N ASP A 178 0.363 -5.846 -1.177 1.00 0.00 N ATOM 940 CA ASP A 178 1.095 -7.080 -1.457 1.00 0.00 C ATOM 941 C ASP A 178 2.449 -6.800 -2.110 1.00 0.00 C ATOM 942 O ASP A 178 3.489 -7.247 -1.621 1.00 0.00 O ATOM 943 CB ASP A 178 0.264 -7.994 -2.361 1.00 0.00 C ATOM 944 CG ASP A 178 -1.068 -8.376 -1.740 1.00 0.00 C ATOM 945 OD1 ASP A 178 -1.341 -7.942 -0.601 1.00 0.00 O ATOM 946 OD2 ASP A 178 -1.837 -9.110 -2.396 1.00 0.00 O ATOM 0 H ASP A 178 -0.558 -5.793 -1.613 1.00 0.00 H new ATOM 0 HA ASP A 178 1.277 -7.576 -0.504 1.00 0.00 H new ATOM 0 HB2 ASP A 178 0.087 -7.493 -3.313 1.00 0.00 H new ATOM 0 HB3 ASP A 178 0.832 -8.899 -2.578 1.00 0.00 H new ATOM 951 N ILE A 179 2.431 -6.065 -3.219 1.00 0.00 N ATOM 952 CA ILE A 179 3.660 -5.739 -3.938 1.00 0.00 C ATOM 953 C ILE A 179 4.609 -4.906 -3.080 1.00 0.00 C ATOM 954 O ILE A 179 5.807 -5.190 -3.014 1.00 0.00 O ATOM 955 CB ILE A 179 3.367 -4.992 -5.262 1.00 0.00 C ATOM 956 CG1 ILE A 179 2.828 -5.959 -6.325 1.00 0.00 C ATOM 957 CG2 ILE A 179 4.619 -4.292 -5.776 1.00 0.00 C ATOM 958 CD1 ILE A 179 1.493 -6.584 -5.978 1.00 0.00 C ATOM 0 H ILE A 179 1.582 -5.685 -3.638 1.00 0.00 H new ATOM 0 HA ILE A 179 4.142 -6.688 -4.173 1.00 0.00 H new ATOM 0 HB ILE A 179 2.606 -4.238 -5.060 1.00 0.00 H new ATOM 0 HG12 ILE A 179 2.731 -5.425 -7.270 1.00 0.00 H new ATOM 0 HG13 ILE A 179 3.558 -6.753 -6.481 1.00 0.00 H new ATOM 0 HG21 ILE A 179 4.390 -3.774 -6.707 1.00 0.00 H new ATOM 0 HG22 ILE A 179 4.963 -3.571 -5.035 1.00 0.00 H new ATOM 0 HG23 ILE A 179 5.401 -5.030 -5.955 1.00 0.00 H new ATOM 0 HD11 ILE A 179 1.185 -7.253 -6.781 1.00 0.00 H new ATOM 0 HD12 ILE A 179 1.586 -7.149 -5.051 1.00 0.00 H new ATOM 0 HD13 ILE A 179 0.746 -5.800 -5.852 1.00 0.00 H new ATOM 970 N ILE A 180 4.076 -3.877 -2.427 1.00 0.00 N ATOM 971 CA ILE A 180 4.893 -3.016 -1.581 1.00 0.00 C ATOM 972 C ILE A 180 5.591 -3.823 -0.491 1.00 0.00 C ATOM 973 O ILE A 180 6.782 -3.640 -0.248 1.00 0.00 O ATOM 974 CB ILE A 180 4.060 -1.883 -0.947 1.00 0.00 C ATOM 975 CG1 ILE A 180 3.533 -0.951 -2.042 1.00 0.00 C ATOM 976 CG2 ILE A 180 4.893 -1.106 0.065 1.00 0.00 C ATOM 977 CD1 ILE A 180 2.743 0.228 -1.518 1.00 0.00 C ATOM 0 H ILE A 180 3.089 -3.621 -2.467 1.00 0.00 H new ATOM 0 HA ILE A 180 5.649 -2.563 -2.222 1.00 0.00 H new ATOM 0 HB ILE A 180 3.213 -2.321 -0.420 1.00 0.00 H new ATOM 0 HG12 ILE A 180 4.375 -0.580 -2.626 1.00 0.00 H new ATOM 0 HG13 ILE A 180 2.902 -1.525 -2.721 1.00 0.00 H new ATOM 0 HG21 ILE A 180 4.288 -0.311 0.501 1.00 0.00 H new ATOM 0 HG22 ILE A 180 5.230 -1.780 0.853 1.00 0.00 H new ATOM 0 HG23 ILE A 180 5.759 -0.670 -0.434 1.00 0.00 H new ATOM 0 HD11 ILE A 180 2.405 0.840 -2.354 1.00 0.00 H new ATOM 0 HD12 ILE A 180 1.879 -0.132 -0.959 1.00 0.00 H new ATOM 0 HD13 ILE A 180 3.375 0.827 -0.863 1.00 0.00 H new ATOM 989 N ARG A 181 4.854 -4.728 0.147 1.00 0.00 N ATOM 990 CA ARG A 181 5.429 -5.568 1.192 1.00 0.00 C ATOM 991 C ARG A 181 6.633 -6.326 0.650 1.00 0.00 C ATOM 992 O ARG A 181 7.643 -6.479 1.337 1.00 0.00 O ATOM 993 CB ARG A 181 4.391 -6.550 1.741 1.00 0.00 C ATOM 994 CG ARG A 181 3.305 -5.885 2.570 1.00 0.00 C ATOM 995 CD ARG A 181 2.292 -6.898 3.077 1.00 0.00 C ATOM 996 NE ARG A 181 2.909 -7.907 3.934 1.00 0.00 N ATOM 997 CZ ARG A 181 2.238 -8.913 4.488 1.00 0.00 C ATOM 998 NH1 ARG A 181 0.937 -9.047 4.272 1.00 0.00 N ATOM 999 NH2 ARG A 181 2.870 -9.787 5.259 1.00 0.00 N ATOM 0 H ARG A 181 3.866 -4.897 -0.039 1.00 0.00 H new ATOM 0 HA ARG A 181 5.751 -4.923 2.009 1.00 0.00 H new ATOM 0 HB2 ARG A 181 3.928 -7.080 0.908 1.00 0.00 H new ATOM 0 HB3 ARG A 181 4.897 -7.297 2.352 1.00 0.00 H new ATOM 0 HG2 ARG A 181 3.757 -5.367 3.416 1.00 0.00 H new ATOM 0 HG3 ARG A 181 2.797 -5.131 1.969 1.00 0.00 H new ATOM 0 HD2 ARG A 181 1.509 -6.381 3.632 1.00 0.00 H new ATOM 0 HD3 ARG A 181 1.812 -7.387 2.229 1.00 0.00 H new ATOM 0 HE ARG A 181 3.910 -7.836 4.118 1.00 0.00 H new ATOM 0 HH11 ARG A 181 0.447 -8.377 3.679 1.00 0.00 H new ATOM 0 HH12 ARG A 181 0.426 -9.820 4.699 1.00 0.00 H new ATOM 0 HH21 ARG A 181 3.871 -9.688 5.428 1.00 0.00 H new ATOM 0 HH22 ARG A 181 2.355 -10.558 5.684 1.00 0.00 H new ATOM 1013 N MET A 182 6.522 -6.789 -0.592 1.00 0.00 N ATOM 1014 CA MET A 182 7.608 -7.519 -1.236 1.00 0.00 C ATOM 1015 C MET A 182 8.867 -6.660 -1.302 1.00 0.00 C ATOM 1016 O MET A 182 9.974 -7.143 -1.075 1.00 0.00 O ATOM 1017 CB MET A 182 7.198 -7.957 -2.643 1.00 0.00 C ATOM 1018 CG MET A 182 6.018 -8.915 -2.664 1.00 0.00 C ATOM 1019 SD MET A 182 6.358 -10.451 -1.781 1.00 0.00 S ATOM 1020 CE MET A 182 4.813 -11.326 -2.017 1.00 0.00 C ATOM 0 H MET A 182 5.691 -6.671 -1.172 1.00 0.00 H new ATOM 0 HA MET A 182 7.822 -8.406 -0.640 1.00 0.00 H new ATOM 0 HB2 MET A 182 6.948 -7.074 -3.231 1.00 0.00 H new ATOM 0 HB3 MET A 182 8.050 -8.433 -3.129 1.00 0.00 H new ATOM 0 HG2 MET A 182 5.151 -8.428 -2.218 1.00 0.00 H new ATOM 0 HG3 MET A 182 5.759 -9.144 -3.698 1.00 0.00 H new ATOM 0 HE1 MET A 182 4.867 -12.298 -1.527 1.00 0.00 H new ATOM 0 HE2 MET A 182 3.997 -10.746 -1.585 1.00 0.00 H new ATOM 0 HE3 MET A 182 4.634 -11.467 -3.083 1.00 0.00 H new ATOM 1030 N GLN A 183 8.689 -5.381 -1.617 1.00 0.00 N ATOM 1031 CA GLN A 183 9.812 -4.454 -1.714 1.00 0.00 C ATOM 1032 C GLN A 183 10.445 -4.205 -0.346 1.00 0.00 C ATOM 1033 O GLN A 183 11.668 -4.205 -0.210 1.00 0.00 O ATOM 1034 CB GLN A 183 9.356 -3.128 -2.324 1.00 0.00 C ATOM 1035 CG GLN A 183 8.829 -3.265 -3.743 1.00 0.00 C ATOM 1036 CD GLN A 183 8.361 -1.944 -4.321 1.00 0.00 C ATOM 1037 OE1 GLN A 183 7.092 -1.884 -4.708 1.00 0.00 O flip ATOM 1038 NE2 GLN A 183 9.131 -0.989 -4.419 1.00 0.00 N flip ATOM 0 H GLN A 183 7.779 -4.963 -1.809 1.00 0.00 H new ATOM 0 HA GLN A 183 10.563 -4.908 -2.361 1.00 0.00 H new ATOM 0 HB2 GLN A 183 8.577 -2.696 -1.695 1.00 0.00 H new ATOM 0 HB3 GLN A 183 10.192 -2.429 -2.321 1.00 0.00 H new ATOM 0 HG2 GLN A 183 9.612 -3.679 -4.379 1.00 0.00 H new ATOM 0 HG3 GLN A 183 8.002 -3.975 -3.753 1.00 0.00 H new ATOM 0 HE21 GLN A 183 10.098 -1.080 -4.109 1.00 0.00 H new ATOM 0 HE22 GLN A 183 8.802 -0.107 -4.810 1.00 0.00 H new ATOM 1047 N LEU A 184 9.603 -3.988 0.663 1.00 0.00 N ATOM 1048 CA LEU A 184 10.080 -3.731 2.020 1.00 0.00 C ATOM 1049 C LEU A 184 10.882 -4.907 2.566 1.00 0.00 C ATOM 1050 O LEU A 184 11.982 -4.726 3.085 1.00 0.00 O ATOM 1051 CB LEU A 184 8.903 -3.426 2.954 1.00 0.00 C ATOM 1052 CG LEU A 184 8.386 -1.983 2.918 1.00 0.00 C ATOM 1053 CD1 LEU A 184 9.443 -1.026 3.444 1.00 0.00 C ATOM 1054 CD2 LEU A 184 7.970 -1.592 1.507 1.00 0.00 C ATOM 0 H LEU A 184 8.588 -3.985 0.566 1.00 0.00 H new ATOM 0 HA LEU A 184 10.739 -2.864 1.975 1.00 0.00 H new ATOM 0 HB2 LEU A 184 8.080 -4.094 2.702 1.00 0.00 H new ATOM 0 HB3 LEU A 184 9.203 -3.660 3.975 1.00 0.00 H new ATOM 0 HG LEU A 184 7.509 -1.920 3.562 1.00 0.00 H new ATOM 0 HD11 LEU A 184 9.059 -0.006 3.411 1.00 0.00 H new ATOM 0 HD12 LEU A 184 9.691 -1.288 4.473 1.00 0.00 H new ATOM 0 HD13 LEU A 184 10.338 -1.097 2.826 1.00 0.00 H new ATOM 0 HD21 LEU A 184 7.607 -0.564 1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 184 8.827 -1.674 0.839 1.00 0.00 H new ATOM 0 HD23 LEU A 184 7.178 -2.257 1.164 1.00 0.00 H new ATOM 1066 N ARG A 185 10.328 -6.110 2.456 1.00 0.00 N ATOM 1067 CA ARG A 185 11.002 -7.306 2.953 1.00 0.00 C ATOM 1068 C ARG A 185 12.353 -7.501 2.269 1.00 0.00 C ATOM 1069 O ARG A 185 13.350 -7.796 2.926 1.00 0.00 O ATOM 1070 CB ARG A 185 10.120 -8.544 2.761 1.00 0.00 C ATOM 1071 CG ARG A 185 9.744 -8.817 1.316 1.00 0.00 C ATOM 1072 CD ARG A 185 8.834 -10.033 1.176 1.00 0.00 C ATOM 1073 NE ARG A 185 9.483 -11.276 1.600 1.00 0.00 N ATOM 1074 CZ ARG A 185 9.567 -11.683 2.865 1.00 0.00 C ATOM 1075 NH1 ARG A 185 8.981 -10.990 3.833 1.00 0.00 N ATOM 1076 NH2 ARG A 185 10.218 -12.800 3.161 1.00 0.00 N ATOM 0 H ARG A 185 9.418 -6.283 2.029 1.00 0.00 H new ATOM 0 HA ARG A 185 11.180 -7.170 4.020 1.00 0.00 H new ATOM 0 HB2 ARG A 185 10.641 -9.414 3.161 1.00 0.00 H new ATOM 0 HB3 ARG A 185 9.208 -8.422 3.346 1.00 0.00 H new ATOM 0 HG2 ARG A 185 9.244 -7.942 0.901 1.00 0.00 H new ATOM 0 HG3 ARG A 185 10.650 -8.974 0.730 1.00 0.00 H new ATOM 0 HD2 ARG A 185 7.933 -9.878 1.769 1.00 0.00 H new ATOM 0 HD3 ARG A 185 8.519 -10.128 0.137 1.00 0.00 H new ATOM 0 HE ARG A 185 9.897 -11.868 0.880 1.00 0.00 H new ATOM 0 HH11 ARG A 185 8.463 -10.140 3.610 1.00 0.00 H new ATOM 0 HH12 ARG A 185 9.049 -11.307 4.800 1.00 0.00 H new ATOM 0 HH21 ARG A 185 10.655 -13.348 2.419 1.00 0.00 H new ATOM 0 HH22 ARG A 185 10.282 -13.111 4.130 1.00 0.00 H new ATOM 1090 N ARG A 186 12.383 -7.326 0.949 1.00 0.00 N ATOM 1091 CA ARG A 186 13.620 -7.476 0.184 1.00 0.00 C ATOM 1092 C ARG A 186 14.657 -6.443 0.615 1.00 0.00 C ATOM 1093 O ARG A 186 15.851 -6.738 0.687 1.00 0.00 O ATOM 1094 CB ARG A 186 13.344 -7.340 -1.316 1.00 0.00 C ATOM 1095 CG ARG A 186 12.511 -8.473 -1.895 1.00 0.00 C ATOM 1096 CD ARG A 186 13.247 -9.802 -1.823 1.00 0.00 C ATOM 1097 NE ARG A 186 12.463 -10.900 -2.385 1.00 0.00 N ATOM 1098 CZ ARG A 186 12.092 -10.971 -3.662 1.00 0.00 C ATOM 1099 NH1 ARG A 186 12.442 -10.016 -4.514 1.00 0.00 N ATOM 1100 NH2 ARG A 186 11.374 -12.001 -4.088 1.00 0.00 N ATOM 0 H ARG A 186 11.567 -7.081 0.388 1.00 0.00 H new ATOM 0 HA ARG A 186 14.017 -8.471 0.383 1.00 0.00 H new ATOM 0 HB2 ARG A 186 12.830 -6.396 -1.497 1.00 0.00 H new ATOM 0 HB3 ARG A 186 14.294 -7.293 -1.847 1.00 0.00 H new ATOM 0 HG2 ARG A 186 11.569 -8.548 -1.351 1.00 0.00 H new ATOM 0 HG3 ARG A 186 12.263 -8.250 -2.933 1.00 0.00 H new ATOM 0 HD2 ARG A 186 14.192 -9.721 -2.360 1.00 0.00 H new ATOM 0 HD3 ARG A 186 13.489 -10.025 -0.784 1.00 0.00 H new ATOM 0 HE ARG A 186 12.183 -11.657 -1.762 1.00 0.00 H new ATOM 0 HH11 ARG A 186 12.997 -9.223 -4.192 1.00 0.00 H new ATOM 0 HH12 ARG A 186 12.156 -10.074 -5.491 1.00 0.00 H new ATOM 0 HH21 ARG A 186 11.106 -12.739 -3.438 1.00 0.00 H new ATOM 0 HH22 ARG A 186 11.090 -12.055 -5.066 1.00 0.00 H new ATOM 1114 N ALA A 187 14.195 -5.231 0.892 1.00 0.00 N ATOM 1115 CA ALA A 187 15.078 -4.149 1.309 1.00 0.00 C ATOM 1116 C ALA A 187 15.658 -4.401 2.699 1.00 0.00 C ATOM 1117 O ALA A 187 16.830 -4.127 2.951 1.00 0.00 O ATOM 1118 CB ALA A 187 14.332 -2.824 1.279 1.00 0.00 C ATOM 0 H ALA A 187 13.210 -4.972 0.835 1.00 0.00 H new ATOM 0 HA ALA A 187 15.911 -4.107 0.607 1.00 0.00 H new ATOM 0 HB1 ALA A 187 15.001 -2.023 1.592 1.00 0.00 H new ATOM 0 HB2 ALA A 187 13.980 -2.628 0.266 1.00 0.00 H new ATOM 0 HB3 ALA A 187 13.480 -2.871 1.957 1.00 0.00 H new