USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 323 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 132 MET CE :methyl 164:sc= -0.117 (180deg=-0.7) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ -151:sc= -0.402 (180deg=-1.56!) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 ASN : amide:sc= -0.477 K(o=-0.48,f=-3.4!) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 130 5.882 4.642 4.388 1.00 0.00 N ATOM 82 CA ILE A 130 6.436 4.884 3.060 1.00 0.00 C ATOM 83 C ILE A 130 5.594 4.218 1.977 1.00 0.00 C ATOM 84 O ILE A 130 5.471 2.994 1.937 1.00 0.00 O ATOM 85 CB ILE A 130 7.884 4.369 2.955 1.00 0.00 C ATOM 86 CG1 ILE A 130 8.708 4.847 4.152 1.00 0.00 C ATOM 87 CG2 ILE A 130 8.517 4.830 1.650 1.00 0.00 C ATOM 88 CD1 ILE A 130 8.743 3.857 5.295 1.00 0.00 C ATOM 0 HA ILE A 130 6.427 5.963 2.908 1.00 0.00 H new ATOM 0 HB ILE A 130 7.867 3.279 2.963 1.00 0.00 H new ATOM 0 HG12 ILE A 130 9.728 5.047 3.824 1.00 0.00 H new ATOM 0 HG13 ILE A 130 8.298 5.791 4.512 1.00 0.00 H new ATOM 0 HG21 ILE A 130 9.540 4.458 1.591 1.00 0.00 H new ATOM 0 HG22 ILE A 130 7.941 4.443 0.810 1.00 0.00 H new ATOM 0 HG23 ILE A 130 8.524 5.919 1.614 1.00 0.00 H new ATOM 0 HD11 ILE A 130 9.345 4.262 6.109 1.00 0.00 H new ATOM 0 HD12 ILE A 130 7.729 3.675 5.650 1.00 0.00 H new ATOM 0 HD13 ILE A 130 9.181 2.920 4.951 1.00 0.00 H new ATOM 100 N ALA A 131 5.019 5.032 1.097 1.00 0.00 N ATOM 101 CA ALA A 131 4.194 4.522 0.008 1.00 0.00 C ATOM 102 C ALA A 131 3.858 5.626 -0.988 1.00 0.00 C ATOM 103 O ALA A 131 3.902 6.811 -0.654 1.00 0.00 O ATOM 104 CB ALA A 131 2.920 3.896 0.552 1.00 0.00 C ATOM 0 H ALA A 131 5.109 6.048 1.117 1.00 0.00 H new ATOM 0 HA ALA A 131 4.765 3.755 -0.515 1.00 0.00 H new ATOM 0 HB1 ALA A 131 2.317 3.521 -0.275 1.00 0.00 H new ATOM 0 HB2 ALA A 131 3.175 3.072 1.218 1.00 0.00 H new ATOM 0 HB3 ALA A 131 2.353 4.646 1.104 1.00 0.00 H new ATOM 110 N MET A 132 3.519 5.230 -2.209 1.00 0.00 N ATOM 111 CA MET A 132 3.171 6.187 -3.252 1.00 0.00 C ATOM 112 C MET A 132 1.749 6.706 -3.053 1.00 0.00 C ATOM 113 O MET A 132 0.927 6.055 -2.407 1.00 0.00 O ATOM 114 CB MET A 132 3.304 5.542 -4.633 1.00 0.00 C ATOM 115 CG MET A 132 4.740 5.440 -5.120 1.00 0.00 C ATOM 116 SD MET A 132 4.896 4.450 -6.618 1.00 0.00 S ATOM 117 CE MET A 132 3.628 5.186 -7.646 1.00 0.00 C ATOM 0 H MET A 132 3.478 4.254 -2.501 1.00 0.00 H new ATOM 0 HA MET A 132 3.861 7.028 -3.187 1.00 0.00 H new ATOM 0 HB2 MET A 132 2.868 4.544 -4.602 1.00 0.00 H new ATOM 0 HB3 MET A 132 2.725 6.121 -5.353 1.00 0.00 H new ATOM 0 HG2 MET A 132 5.128 6.441 -5.309 1.00 0.00 H new ATOM 0 HG3 MET A 132 5.356 5.003 -4.334 1.00 0.00 H new ATOM 0 HE1 MET A 132 3.782 4.888 -8.683 1.00 0.00 H new ATOM 0 HE2 MET A 132 2.647 4.846 -7.313 1.00 0.00 H new ATOM 0 HE3 MET A 132 3.681 6.272 -7.568 1.00 0.00 H new ATOM 127 N PRO A 133 1.438 7.890 -3.607 1.00 0.00 N ATOM 128 CA PRO A 133 0.106 8.491 -3.484 1.00 0.00 C ATOM 129 C PRO A 133 -0.976 7.625 -4.115 1.00 0.00 C ATOM 130 O PRO A 133 -2.099 7.553 -3.615 1.00 0.00 O ATOM 131 CB PRO A 133 0.234 9.824 -4.233 1.00 0.00 C ATOM 132 CG PRO A 133 1.421 9.658 -5.120 1.00 0.00 C ATOM 133 CD PRO A 133 2.353 8.733 -4.392 1.00 0.00 C ATOM 0 HA PRO A 133 -0.191 8.607 -2.442 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -0.664 10.039 -4.812 1.00 0.00 H new ATOM 0 HB3 PRO A 133 0.372 10.654 -3.540 1.00 0.00 H new ATOM 0 HG2 PRO A 133 1.132 9.241 -6.085 1.00 0.00 H new ATOM 0 HG3 PRO A 133 1.898 10.618 -5.317 1.00 0.00 H new ATOM 0 HD2 PRO A 133 2.955 8.141 -5.082 1.00 0.00 H new ATOM 0 HD3 PRO A 133 3.046 9.280 -3.753 1.00 0.00 H new ATOM 141 N SER A 134 -0.631 6.963 -5.215 1.00 0.00 N ATOM 142 CA SER A 134 -1.575 6.096 -5.909 1.00 0.00 C ATOM 143 C SER A 134 -1.931 4.888 -5.047 1.00 0.00 C ATOM 144 O SER A 134 -3.031 4.347 -5.143 1.00 0.00 O ATOM 145 CB SER A 134 -0.989 5.631 -7.243 1.00 0.00 C ATOM 146 OG SER A 134 -1.125 6.632 -8.237 1.00 0.00 O ATOM 0 H SER A 134 0.293 7.011 -5.644 1.00 0.00 H new ATOM 0 HA SER A 134 -2.484 6.667 -6.101 1.00 0.00 H new ATOM 0 HB2 SER A 134 0.065 5.383 -7.114 1.00 0.00 H new ATOM 0 HB3 SER A 134 -1.493 4.721 -7.568 1.00 0.00 H new ATOM 0 HG SER A 134 -0.741 6.311 -9.080 1.00 0.00 H new ATOM 152 N VAL A 135 -0.990 4.474 -4.202 1.00 0.00 N ATOM 153 CA VAL A 135 -1.203 3.334 -3.320 1.00 0.00 C ATOM 154 C VAL A 135 -2.076 3.718 -2.136 1.00 0.00 C ATOM 155 O VAL A 135 -3.053 3.039 -1.829 1.00 0.00 O ATOM 156 CB VAL A 135 0.133 2.762 -2.813 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.097 1.532 -1.945 1.00 0.00 C ATOM 158 CG2 VAL A 135 1.036 2.432 -3.989 1.00 0.00 C ATOM 0 H VAL A 135 -0.073 4.912 -4.111 1.00 0.00 H new ATOM 0 HA VAL A 135 -1.712 2.566 -3.902 1.00 0.00 H new ATOM 0 HB VAL A 135 0.623 3.516 -2.197 1.00 0.00 H new ATOM 0 HG11 VAL A 135 0.862 1.146 -1.599 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -0.711 1.803 -1.086 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -0.607 0.765 -2.528 1.00 0.00 H new ATOM 0 HG21 VAL A 135 1.979 2.028 -3.621 1.00 0.00 H new ATOM 0 HG22 VAL A 135 0.549 1.694 -4.626 1.00 0.00 H new ATOM 0 HG23 VAL A 135 1.229 3.337 -4.565 1.00 0.00 H new ATOM 168 N ARG A 136 -1.728 4.818 -1.483 1.00 0.00 N ATOM 169 CA ARG A 136 -2.500 5.294 -0.342 1.00 0.00 C ATOM 170 C ARG A 136 -3.930 5.569 -0.776 1.00 0.00 C ATOM 171 O ARG A 136 -4.886 5.150 -0.124 1.00 0.00 O ATOM 172 CB ARG A 136 -1.874 6.560 0.242 1.00 0.00 C ATOM 173 CG ARG A 136 -0.871 6.282 1.349 1.00 0.00 C ATOM 174 CD ARG A 136 -1.286 6.930 2.663 1.00 0.00 C ATOM 175 NE ARG A 136 -0.194 7.691 3.265 1.00 0.00 N ATOM 176 CZ ARG A 136 -0.370 8.661 4.161 1.00 0.00 C ATOM 177 NH1 ARG A 136 -1.591 8.985 4.568 1.00 0.00 N ATOM 178 NH2 ARG A 136 0.679 9.307 4.652 1.00 0.00 N ATOM 0 H ARG A 136 -0.921 5.395 -1.721 1.00 0.00 H new ATOM 0 HA ARG A 136 -2.498 4.525 0.431 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -1.379 7.113 -0.556 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -2.665 7.201 0.631 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -0.773 5.205 1.489 1.00 0.00 H new ATOM 0 HG3 ARG A 136 0.110 6.655 1.053 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -2.136 7.590 2.490 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.618 6.159 3.359 1.00 0.00 H new ATOM 0 HE ARG A 136 0.760 7.466 2.982 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -2.401 8.490 4.195 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -1.719 9.729 5.254 1.00 0.00 H new ATOM 0 HH21 ARG A 136 1.620 9.061 4.344 1.00 0.00 H new ATOM 0 HH22 ARG A 136 0.545 10.050 5.338 1.00 0.00 H new ATOM 192 N LYS A 137 -4.060 6.256 -1.905 1.00 0.00 N ATOM 193 CA LYS A 137 -5.366 6.569 -2.462 1.00 0.00 C ATOM 194 C LYS A 137 -6.110 5.273 -2.770 1.00 0.00 C ATOM 195 O LYS A 137 -7.288 5.122 -2.441 1.00 0.00 O ATOM 196 CB LYS A 137 -5.206 7.416 -3.731 1.00 0.00 C ATOM 197 CG LYS A 137 -6.444 7.455 -4.615 1.00 0.00 C ATOM 198 CD LYS A 137 -7.565 8.260 -3.974 1.00 0.00 C ATOM 199 CE LYS A 137 -8.788 7.401 -3.694 1.00 0.00 C ATOM 200 NZ LYS A 137 -9.301 7.600 -2.310 1.00 0.00 N ATOM 0 H LYS A 137 -3.274 6.607 -2.452 1.00 0.00 H new ATOM 0 HA LYS A 137 -5.943 7.144 -1.738 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -4.946 8.435 -3.444 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -4.371 7.026 -4.312 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -6.189 7.891 -5.581 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -6.788 6.438 -4.805 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -7.209 8.701 -3.043 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -7.842 9.084 -4.631 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -9.573 7.643 -4.410 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -8.535 6.351 -3.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -9.764 6.728 -1.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -8.509 7.831 -1.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -9.989 8.380 -2.303 1.00 0.00 H new ATOM 214 N TRP A 138 -5.400 4.334 -3.389 1.00 0.00 N ATOM 215 CA TRP A 138 -5.970 3.042 -3.731 1.00 0.00 C ATOM 216 C TRP A 138 -6.510 2.361 -2.479 1.00 0.00 C ATOM 217 O TRP A 138 -7.665 1.938 -2.438 1.00 0.00 O ATOM 218 CB TRP A 138 -4.905 2.175 -4.404 1.00 0.00 C ATOM 219 CG TRP A 138 -5.311 0.748 -4.574 1.00 0.00 C ATOM 220 CD1 TRP A 138 -4.813 -0.324 -3.902 1.00 0.00 C ATOM 221 CD2 TRP A 138 -6.297 0.241 -5.474 1.00 0.00 C ATOM 222 NE1 TRP A 138 -5.425 -1.476 -4.331 1.00 0.00 N ATOM 223 CE2 TRP A 138 -6.343 -1.154 -5.298 1.00 0.00 C ATOM 224 CE3 TRP A 138 -7.144 0.831 -6.413 1.00 0.00 C ATOM 225 CZ2 TRP A 138 -7.206 -1.967 -6.029 1.00 0.00 C ATOM 226 CZ3 TRP A 138 -8.000 0.027 -7.136 1.00 0.00 C ATOM 227 CH2 TRP A 138 -8.026 -1.360 -6.942 1.00 0.00 C ATOM 0 H TRP A 138 -4.424 4.448 -3.664 1.00 0.00 H new ATOM 0 HA TRP A 138 -6.798 3.182 -4.426 1.00 0.00 H new ATOM 0 HB2 TRP A 138 -4.672 2.596 -5.382 1.00 0.00 H new ATOM 0 HB3 TRP A 138 -3.990 2.215 -3.813 1.00 0.00 H new ATOM 0 HD1 TRP A 138 -4.048 -0.276 -3.142 1.00 0.00 H new ATOM 0 HE1 TRP A 138 -5.229 -2.416 -3.987 1.00 0.00 H new ATOM 0 HE3 TRP A 138 -7.129 1.899 -6.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 138 -7.228 -3.037 -5.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 138 -8.661 0.474 -7.864 1.00 0.00 H new ATOM 0 HH2 TRP A 138 -8.707 -1.963 -7.525 1.00 0.00 H new ATOM 238 N ALA A 139 -5.671 2.279 -1.454 1.00 0.00 N ATOM 239 CA ALA A 139 -6.063 1.674 -0.193 1.00 0.00 C ATOM 240 C ALA A 139 -7.298 2.370 0.363 1.00 0.00 C ATOM 241 O ALA A 139 -8.265 1.723 0.746 1.00 0.00 O ATOM 242 CB ALA A 139 -4.916 1.743 0.804 1.00 0.00 C ATOM 0 H ALA A 139 -4.712 2.626 -1.474 1.00 0.00 H new ATOM 0 HA ALA A 139 -6.306 0.626 -0.367 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -5.224 1.286 1.745 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -4.054 1.208 0.405 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -4.647 2.785 0.978 1.00 0.00 H new ATOM 248 N ARG A 140 -7.260 3.698 0.385 1.00 0.00 N ATOM 249 CA ARG A 140 -8.382 4.487 0.882 1.00 0.00 C ATOM 250 C ARG A 140 -9.681 4.079 0.192 1.00 0.00 C ATOM 251 O ARG A 140 -10.742 4.042 0.815 1.00 0.00 O ATOM 252 CB ARG A 140 -8.121 5.977 0.662 1.00 0.00 C ATOM 253 CG ARG A 140 -8.656 6.860 1.778 1.00 0.00 C ATOM 254 CD ARG A 140 -7.542 7.637 2.462 1.00 0.00 C ATOM 255 NE ARG A 140 -7.828 7.873 3.874 1.00 0.00 N ATOM 256 CZ ARG A 140 -6.902 8.195 4.775 1.00 0.00 C ATOM 257 NH1 ARG A 140 -5.630 8.319 4.414 1.00 0.00 N ATOM 258 NH2 ARG A 140 -7.248 8.393 6.039 1.00 0.00 N ATOM 0 H ARG A 140 -6.465 4.251 0.065 1.00 0.00 H new ATOM 0 HA ARG A 140 -8.483 4.297 1.951 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -7.047 6.139 0.565 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -8.576 6.282 -0.281 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -9.389 7.557 1.371 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -9.175 6.244 2.513 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -6.606 7.087 2.369 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -7.402 8.592 1.956 1.00 0.00 H new ATOM 0 HE ARG A 140 -8.794 7.786 4.189 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -5.358 8.167 3.443 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -4.925 8.566 5.108 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -8.224 8.299 6.321 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -6.539 8.640 6.729 1.00 0.00 H new ATOM 272 N GLU A 141 -9.588 3.774 -1.100 1.00 0.00 N ATOM 273 CA GLU A 141 -10.756 3.369 -1.875 1.00 0.00 C ATOM 274 C GLU A 141 -11.274 2.004 -1.424 1.00 0.00 C ATOM 275 O GLU A 141 -12.468 1.835 -1.178 1.00 0.00 O ATOM 276 CB GLU A 141 -10.414 3.330 -3.367 1.00 0.00 C ATOM 277 CG GLU A 141 -10.861 4.570 -4.125 1.00 0.00 C ATOM 278 CD GLU A 141 -11.608 4.237 -5.402 1.00 0.00 C ATOM 279 OE1 GLU A 141 -12.751 3.740 -5.309 1.00 0.00 O ATOM 280 OE2 GLU A 141 -11.050 4.471 -6.494 1.00 0.00 O ATOM 0 H GLU A 141 -8.717 3.800 -1.631 1.00 0.00 H new ATOM 0 HA GLU A 141 -11.542 4.105 -1.705 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -9.336 3.213 -3.482 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -10.880 2.452 -3.815 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -11.501 5.173 -3.481 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -9.989 5.177 -4.367 1.00 0.00 H new ATOM 287 N LYS A 142 -10.372 1.031 -1.326 1.00 0.00 N ATOM 288 CA LYS A 142 -10.743 -0.321 -0.913 1.00 0.00 C ATOM 289 C LYS A 142 -11.078 -0.380 0.577 1.00 0.00 C ATOM 290 O LYS A 142 -11.730 -1.317 1.037 1.00 0.00 O ATOM 291 CB LYS A 142 -9.612 -1.306 -1.221 1.00 0.00 C ATOM 292 CG LYS A 142 -8.929 -1.068 -2.559 1.00 0.00 C ATOM 293 CD LYS A 142 -9.927 -1.040 -3.704 1.00 0.00 C ATOM 294 CE LYS A 142 -10.341 -2.444 -4.121 1.00 0.00 C ATOM 295 NZ LYS A 142 -11.821 -2.597 -4.165 1.00 0.00 N ATOM 0 H LYS A 142 -9.379 1.153 -1.527 1.00 0.00 H new ATOM 0 HA LYS A 142 -11.632 -0.601 -1.478 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -8.866 -1.246 -0.429 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -10.013 -2.320 -1.205 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -8.386 -0.124 -2.527 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -8.194 -1.853 -2.737 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -10.809 -0.474 -3.405 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -9.489 -0.521 -4.557 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -9.924 -2.669 -5.102 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -9.922 -3.168 -3.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -12.061 -3.567 -4.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -12.218 -2.407 -3.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -12.219 -1.924 -4.850 1.00 0.00 H new ATOM 309 N GLY A 143 -10.617 0.614 1.328 1.00 0.00 N ATOM 310 CA GLY A 143 -10.867 0.643 2.758 1.00 0.00 C ATOM 311 C GLY A 143 -9.648 0.228 3.564 1.00 0.00 C ATOM 312 O GLY A 143 -9.747 -0.045 4.760 1.00 0.00 O ATOM 0 H GLY A 143 -10.074 1.401 0.972 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -11.169 1.648 3.052 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -11.699 -0.021 2.993 1.00 0.00 H new ATOM 316 N VAL A 144 -8.494 0.182 2.901 1.00 0.00 N ATOM 317 CA VAL A 144 -7.245 -0.201 3.546 1.00 0.00 C ATOM 318 C VAL A 144 -6.402 1.023 3.888 1.00 0.00 C ATOM 319 O VAL A 144 -6.386 2.006 3.148 1.00 0.00 O ATOM 320 CB VAL A 144 -6.416 -1.137 2.647 1.00 0.00 C ATOM 321 CG1 VAL A 144 -5.169 -1.616 3.377 1.00 0.00 C ATOM 322 CG2 VAL A 144 -7.257 -2.317 2.182 1.00 0.00 C ATOM 0 H VAL A 144 -8.401 0.407 1.911 1.00 0.00 H new ATOM 0 HA VAL A 144 -7.513 -0.725 4.464 1.00 0.00 H new ATOM 0 HB VAL A 144 -6.100 -0.577 1.767 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -4.597 -2.276 2.725 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -4.556 -0.758 3.652 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -5.460 -2.158 4.277 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -6.653 -2.967 1.548 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -7.607 -2.878 3.048 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -8.114 -1.952 1.616 1.00 0.00 H new ATOM 332 N ASP A 145 -5.695 0.948 5.010 1.00 0.00 N ATOM 333 CA ASP A 145 -4.835 2.042 5.447 1.00 0.00 C ATOM 334 C ASP A 145 -3.369 1.667 5.258 1.00 0.00 C ATOM 335 O ASP A 145 -2.873 0.741 5.891 1.00 0.00 O ATOM 336 CB ASP A 145 -5.106 2.378 6.915 1.00 0.00 C ATOM 337 CG ASP A 145 -4.369 3.622 7.369 1.00 0.00 C ATOM 338 OD1 ASP A 145 -3.389 4.010 6.698 1.00 0.00 O ATOM 339 OD2 ASP A 145 -4.771 4.209 8.396 1.00 0.00 O ATOM 0 H ASP A 145 -5.700 0.141 5.634 1.00 0.00 H new ATOM 0 HA ASP A 145 -5.055 2.921 4.841 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -6.177 2.520 7.061 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -4.809 1.535 7.539 1.00 0.00 H new ATOM 344 N ILE A 146 -2.679 2.385 4.381 1.00 0.00 N ATOM 345 CA ILE A 146 -1.270 2.110 4.110 1.00 0.00 C ATOM 346 C ILE A 146 -0.465 1.928 5.401 1.00 0.00 C ATOM 347 O ILE A 146 0.564 1.254 5.411 1.00 0.00 O ATOM 348 CB ILE A 146 -0.641 3.232 3.252 1.00 0.00 C ATOM 349 CG1 ILE A 146 0.461 2.658 2.361 1.00 0.00 C ATOM 350 CG2 ILE A 146 -0.097 4.359 4.122 1.00 0.00 C ATOM 351 CD1 ILE A 146 -0.011 2.316 0.964 1.00 0.00 C ATOM 0 H ILE A 146 -3.069 3.161 3.845 1.00 0.00 H new ATOM 0 HA ILE A 146 -1.232 1.174 3.553 1.00 0.00 H new ATOM 0 HB ILE A 146 -1.422 3.653 2.620 1.00 0.00 H new ATOM 0 HG12 ILE A 146 1.276 3.379 2.295 1.00 0.00 H new ATOM 0 HG13 ILE A 146 0.866 1.761 2.829 1.00 0.00 H new ATOM 0 HG21 ILE A 146 0.338 5.131 3.487 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -0.908 4.788 4.711 1.00 0.00 H new ATOM 0 HG23 ILE A 146 0.668 3.965 4.791 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.822 1.914 0.387 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -0.806 1.572 1.020 1.00 0.00 H new ATOM 0 HD13 ILE A 146 -0.389 3.215 0.477 1.00 0.00 H new ATOM 363 N ARG A 147 -0.939 2.541 6.482 1.00 0.00 N ATOM 364 CA ARG A 147 -0.263 2.458 7.775 1.00 0.00 C ATOM 365 C ARG A 147 -0.084 1.009 8.237 1.00 0.00 C ATOM 366 O ARG A 147 0.787 0.721 9.058 1.00 0.00 O ATOM 367 CB ARG A 147 -1.045 3.246 8.828 1.00 0.00 C ATOM 368 CG ARG A 147 -0.458 4.618 9.119 1.00 0.00 C ATOM 369 CD ARG A 147 -1.071 5.232 10.369 1.00 0.00 C ATOM 370 NE ARG A 147 -0.092 5.988 11.145 1.00 0.00 N ATOM 371 CZ ARG A 147 0.344 7.200 10.810 1.00 0.00 C ATOM 372 NH1 ARG A 147 -0.110 7.797 9.715 1.00 0.00 N ATOM 373 NH2 ARG A 147 1.236 7.818 11.573 1.00 0.00 N ATOM 0 H ARG A 147 -1.791 3.102 6.489 1.00 0.00 H new ATOM 0 HA ARG A 147 0.730 2.892 7.653 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -2.075 3.364 8.491 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -1.076 2.670 9.753 1.00 0.00 H new ATOM 0 HG2 ARG A 147 0.621 4.534 9.245 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -0.629 5.276 8.267 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -1.893 5.889 10.084 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -1.494 4.443 10.990 1.00 0.00 H new ATOM 0 HE ARG A 147 0.280 5.562 11.994 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -0.797 7.327 9.125 1.00 0.00 H new ATOM 0 HH12 ARG A 147 0.228 8.726 9.463 1.00 0.00 H new ATOM 0 HH21 ARG A 147 1.588 7.364 12.416 1.00 0.00 H new ATOM 0 HH22 ARG A 147 1.570 8.747 11.316 1.00 0.00 H new ATOM 387 N LEU A 148 -0.906 0.102 7.718 1.00 0.00 N ATOM 388 CA LEU A 148 -0.818 -1.309 8.101 1.00 0.00 C ATOM 389 C LEU A 148 -0.334 -2.169 6.940 1.00 0.00 C ATOM 390 O LEU A 148 -0.670 -3.349 6.853 1.00 0.00 O ATOM 391 CB LEU A 148 -2.172 -1.830 8.591 1.00 0.00 C ATOM 392 CG LEU A 148 -3.386 -1.274 7.851 1.00 0.00 C ATOM 393 CD1 LEU A 148 -3.551 -1.957 6.500 1.00 0.00 C ATOM 394 CD2 LEU A 148 -4.644 -1.438 8.688 1.00 0.00 C ATOM 0 H LEU A 148 -1.635 0.313 7.037 1.00 0.00 H new ATOM 0 HA LEU A 148 -0.094 -1.377 8.913 1.00 0.00 H new ATOM 0 HB2 LEU A 148 -2.179 -2.916 8.504 1.00 0.00 H new ATOM 0 HB3 LEU A 148 -2.273 -1.595 9.651 1.00 0.00 H new ATOM 0 HG LEU A 148 -3.223 -0.210 7.680 1.00 0.00 H new ATOM 0 HD11 LEU A 148 -4.422 -1.546 5.989 1.00 0.00 H new ATOM 0 HD12 LEU A 148 -2.661 -1.786 5.895 1.00 0.00 H new ATOM 0 HD13 LEU A 148 -3.689 -3.028 6.648 1.00 0.00 H new ATOM 0 HD21 LEU A 148 -5.498 -1.036 8.144 1.00 0.00 H new ATOM 0 HD22 LEU A 148 -4.810 -2.496 8.893 1.00 0.00 H new ATOM 0 HD23 LEU A 148 -4.528 -0.900 9.629 1.00 0.00 H new ATOM 406 N VAL A 149 0.455 -1.579 6.052 1.00 0.00 N ATOM 407 CA VAL A 149 0.975 -2.306 4.903 1.00 0.00 C ATOM 408 C VAL A 149 2.488 -2.143 4.782 1.00 0.00 C ATOM 409 O VAL A 149 2.983 -1.072 4.432 1.00 0.00 O ATOM 410 CB VAL A 149 0.308 -1.842 3.594 1.00 0.00 C ATOM 411 CG1 VAL A 149 0.726 -2.739 2.441 1.00 0.00 C ATOM 412 CG2 VAL A 149 -1.207 -1.824 3.741 1.00 0.00 C ATOM 0 H VAL A 149 0.748 -0.603 6.105 1.00 0.00 H new ATOM 0 HA VAL A 149 0.742 -3.358 5.065 1.00 0.00 H new ATOM 0 HB VAL A 149 0.640 -0.826 3.378 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.247 -2.399 1.523 1.00 0.00 H new ATOM 0 HG12 VAL A 149 1.809 -2.698 2.322 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.423 -3.765 2.650 1.00 0.00 H new ATOM 0 HG21 VAL A 149 -1.659 -1.494 2.806 1.00 0.00 H new ATOM 0 HG22 VAL A 149 -1.561 -2.826 3.981 1.00 0.00 H new ATOM 0 HG23 VAL A 149 -1.487 -1.139 4.541 1.00 0.00 H new ATOM 422 N GLN A 150 3.217 -3.217 5.074 1.00 0.00 N ATOM 423 CA GLN A 150 4.672 -3.196 4.998 1.00 0.00 C ATOM 424 C GLN A 150 5.142 -3.290 3.550 1.00 0.00 C ATOM 425 O GLN A 150 5.572 -4.349 3.092 1.00 0.00 O ATOM 426 CB GLN A 150 5.262 -4.347 5.814 1.00 0.00 C ATOM 427 CG GLN A 150 4.822 -5.721 5.333 1.00 0.00 C ATOM 428 CD GLN A 150 4.234 -6.570 6.443 1.00 0.00 C ATOM 429 OE1 GLN A 150 3.016 -6.710 6.556 1.00 0.00 O ATOM 430 NE2 GLN A 150 5.100 -7.141 7.272 1.00 0.00 N ATOM 0 H GLN A 150 2.823 -4.112 5.365 1.00 0.00 H new ATOM 0 HA GLN A 150 5.020 -2.250 5.413 1.00 0.00 H new ATOM 0 HB2 GLN A 150 6.350 -4.289 5.775 1.00 0.00 H new ATOM 0 HB3 GLN A 150 4.973 -4.227 6.858 1.00 0.00 H new ATOM 0 HG2 GLN A 150 4.083 -5.604 4.540 1.00 0.00 H new ATOM 0 HG3 GLN A 150 5.676 -6.240 4.898 1.00 0.00 H new ATOM 0 HE21 GLN A 150 6.101 -6.998 7.141 1.00 0.00 H new ATOM 0 HE22 GLN A 150 4.764 -7.723 8.040 1.00 0.00 H new ATOM 439 N GLY A 151 5.057 -2.174 2.834 1.00 0.00 N ATOM 440 CA GLY A 151 5.476 -2.148 1.444 1.00 0.00 C ATOM 441 C GLY A 151 6.904 -2.619 1.255 1.00 0.00 C ATOM 442 O GLY A 151 7.769 -2.354 2.089 1.00 0.00 O ATOM 0 H GLY A 151 4.705 -1.286 3.191 1.00 0.00 H new ATOM 0 HA2 GLY A 151 4.809 -2.778 0.856 1.00 0.00 H new ATOM 0 HA3 GLY A 151 5.378 -1.133 1.058 1.00 0.00 H new ATOM 446 N THR A 152 7.152 -3.322 0.152 1.00 0.00 N ATOM 447 CA THR A 152 8.485 -3.832 -0.146 1.00 0.00 C ATOM 448 C THR A 152 9.023 -3.233 -1.443 1.00 0.00 C ATOM 449 O THR A 152 9.857 -3.836 -2.117 1.00 0.00 O ATOM 450 CB THR A 152 8.457 -5.358 -0.253 1.00 0.00 C ATOM 451 OG1 THR A 152 7.263 -5.796 -0.876 1.00 0.00 O ATOM 452 CG2 THR A 152 8.556 -6.053 1.089 1.00 0.00 C ATOM 0 H THR A 152 6.447 -3.550 -0.549 1.00 0.00 H new ATOM 0 HA THR A 152 9.147 -3.541 0.670 1.00 0.00 H new ATOM 0 HB THR A 152 9.332 -5.622 -0.847 1.00 0.00 H new ATOM 0 HG1 THR A 152 7.265 -6.774 -0.936 1.00 0.00 H new ATOM 0 HG21 THR A 152 8.530 -7.133 0.942 1.00 0.00 H new ATOM 0 HG22 THR A 152 9.491 -5.775 1.575 1.00 0.00 H new ATOM 0 HG23 THR A 152 7.718 -5.752 1.717 1.00 0.00 H new ATOM 460 N GLY A 153 8.540 -2.042 -1.788 1.00 0.00 N ATOM 461 CA GLY A 153 8.985 -1.387 -3.003 1.00 0.00 C ATOM 462 C GLY A 153 10.353 -0.749 -2.857 1.00 0.00 C ATOM 463 O GLY A 153 10.485 0.324 -2.272 1.00 0.00 O ATOM 0 H GLY A 153 7.849 -1.521 -1.248 1.00 0.00 H new ATOM 0 HA2 GLY A 153 9.013 -2.115 -3.814 1.00 0.00 H new ATOM 0 HA3 GLY A 153 8.261 -0.623 -3.285 1.00 0.00 H new ATOM 467 N LYS A 154 11.373 -1.413 -3.395 1.00 0.00 N ATOM 468 CA LYS A 154 12.742 -0.911 -3.329 1.00 0.00 C ATOM 469 C LYS A 154 13.163 -0.636 -1.885 1.00 0.00 C ATOM 470 O LYS A 154 13.751 -1.496 -1.229 1.00 0.00 O ATOM 471 CB LYS A 154 12.882 0.358 -4.176 1.00 0.00 C ATOM 472 CG LYS A 154 12.816 0.101 -5.673 1.00 0.00 C ATOM 473 CD LYS A 154 14.039 -0.657 -6.164 1.00 0.00 C ATOM 474 CE LYS A 154 14.995 0.250 -6.925 1.00 0.00 C ATOM 475 NZ LYS A 154 15.193 -0.205 -8.329 1.00 0.00 N ATOM 0 H LYS A 154 11.276 -2.303 -3.883 1.00 0.00 H new ATOM 0 HA LYS A 154 13.403 -1.680 -3.730 1.00 0.00 H new ATOM 0 HB2 LYS A 154 12.093 1.057 -3.901 1.00 0.00 H new ATOM 0 HB3 LYS A 154 13.831 0.839 -3.940 1.00 0.00 H new ATOM 0 HG2 LYS A 154 11.916 -0.469 -5.906 1.00 0.00 H new ATOM 0 HG3 LYS A 154 12.738 1.050 -6.203 1.00 0.00 H new ATOM 0 HD2 LYS A 154 14.557 -1.101 -5.314 1.00 0.00 H new ATOM 0 HD3 LYS A 154 13.724 -1.477 -6.809 1.00 0.00 H new ATOM 0 HE2 LYS A 154 14.607 1.268 -6.925 1.00 0.00 H new ATOM 0 HE3 LYS A 154 15.957 0.275 -6.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 15.851 0.439 -8.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 15.587 -1.167 -8.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 14.279 -0.205 -8.826 1.00 0.00 H new ATOM 489 N ASN A 155 12.859 0.563 -1.392 1.00 0.00 N ATOM 490 CA ASN A 155 13.208 0.939 -0.027 1.00 0.00 C ATOM 491 C ASN A 155 12.174 0.423 0.973 1.00 0.00 C ATOM 492 O ASN A 155 12.347 0.562 2.184 1.00 0.00 O ATOM 493 CB ASN A 155 13.330 2.460 0.089 1.00 0.00 C ATOM 494 CG ASN A 155 14.270 3.046 -0.947 1.00 0.00 C ATOM 495 OD1 ASN A 155 14.800 2.329 -1.795 1.00 0.00 O ATOM 496 ND2 ASN A 155 14.479 4.355 -0.881 1.00 0.00 N ATOM 0 H ASN A 155 12.372 1.289 -1.918 1.00 0.00 H new ATOM 0 HA ASN A 155 14.169 0.481 0.210 1.00 0.00 H new ATOM 0 HB2 ASN A 155 12.344 2.910 -0.023 1.00 0.00 H new ATOM 0 HB3 ASN A 155 13.687 2.718 1.086 1.00 0.00 H new ATOM 0 HD21 ASN A 155 15.101 4.807 -1.551 1.00 0.00 H new ATOM 0 HD22 ASN A 155 14.017 4.909 -0.160 1.00 0.00 H new ATOM 503 N GLY A 156 11.099 -0.173 0.463 1.00 0.00 N ATOM 504 CA GLY A 156 10.061 -0.696 1.331 1.00 0.00 C ATOM 505 C GLY A 156 8.769 0.090 1.233 1.00 0.00 C ATOM 506 O GLY A 156 7.980 0.119 2.178 1.00 0.00 O ATOM 0 H GLY A 156 10.930 -0.302 -0.534 1.00 0.00 H new ATOM 0 HA2 GLY A 156 9.869 -1.738 1.074 1.00 0.00 H new ATOM 0 HA3 GLY A 156 10.413 -0.682 2.362 1.00 0.00 H new ATOM 510 N ARG A 157 8.550 0.731 0.089 1.00 0.00 N ATOM 511 CA ARG A 157 7.342 1.521 -0.120 1.00 0.00 C ATOM 512 C ARG A 157 6.198 0.645 -0.623 1.00 0.00 C ATOM 513 O ARG A 157 6.393 -0.218 -1.479 1.00 0.00 O ATOM 514 CB ARG A 157 7.609 2.659 -1.111 1.00 0.00 C ATOM 515 CG ARG A 157 7.861 2.189 -2.536 1.00 0.00 C ATOM 516 CD ARG A 157 7.757 3.337 -3.525 1.00 0.00 C ATOM 517 NE ARG A 157 8.708 4.405 -3.226 1.00 0.00 N ATOM 518 CZ ARG A 157 10.022 4.304 -3.418 1.00 0.00 C ATOM 519 NH1 ARG A 157 10.543 3.187 -3.907 1.00 0.00 N ATOM 520 NH2 ARG A 157 10.815 5.324 -3.121 1.00 0.00 N ATOM 0 H ARG A 157 9.191 0.719 -0.705 1.00 0.00 H new ATOM 0 HA ARG A 157 7.051 1.950 0.839 1.00 0.00 H new ATOM 0 HB2 ARG A 157 6.756 3.338 -1.108 1.00 0.00 H new ATOM 0 HB3 ARG A 157 8.472 3.230 -0.769 1.00 0.00 H new ATOM 0 HG2 ARG A 157 8.851 1.738 -2.602 1.00 0.00 H new ATOM 0 HG3 ARG A 157 7.140 1.415 -2.798 1.00 0.00 H new ATOM 0 HD2 ARG A 157 7.936 2.964 -4.533 1.00 0.00 H new ATOM 0 HD3 ARG A 157 6.744 3.739 -3.509 1.00 0.00 H new ATOM 0 HE ARG A 157 8.344 5.280 -2.848 1.00 0.00 H new ATOM 0 HH11 ARG A 157 9.937 2.400 -4.138 1.00 0.00 H new ATOM 0 HH12 ARG A 157 11.550 3.115 -4.052 1.00 0.00 H new ATOM 0 HH21 ARG A 157 10.419 6.186 -2.746 1.00 0.00 H new ATOM 0 HH22 ARG A 157 11.821 5.247 -3.268 1.00 0.00 H new ATOM 534 N VAL A 158 5.004 0.871 -0.084 1.00 0.00 N ATOM 535 CA VAL A 158 3.829 0.102 -0.475 1.00 0.00 C ATOM 536 C VAL A 158 3.422 0.410 -1.911 1.00 0.00 C ATOM 537 O VAL A 158 3.225 1.568 -2.277 1.00 0.00 O ATOM 538 CB VAL A 158 2.633 0.388 0.452 1.00 0.00 C ATOM 539 CG1 VAL A 158 1.550 -0.662 0.264 1.00 0.00 C ATOM 540 CG2 VAL A 158 3.080 0.450 1.907 1.00 0.00 C ATOM 0 H VAL A 158 4.825 1.582 0.626 1.00 0.00 H new ATOM 0 HA VAL A 158 4.102 -0.950 -0.392 1.00 0.00 H new ATOM 0 HB VAL A 158 2.217 1.360 0.185 1.00 0.00 H new ATOM 0 HG11 VAL A 158 0.713 -0.444 0.927 1.00 0.00 H new ATOM 0 HG12 VAL A 158 1.207 -0.649 -0.770 1.00 0.00 H new ATOM 0 HG13 VAL A 158 1.953 -1.647 0.500 1.00 0.00 H new ATOM 0 HG21 VAL A 158 2.219 0.653 2.544 1.00 0.00 H new ATOM 0 HG22 VAL A 158 3.525 -0.503 2.192 1.00 0.00 H new ATOM 0 HG23 VAL A 158 3.816 1.245 2.028 1.00 0.00 H new ATOM 550 N LEU A 159 3.293 -0.637 -2.720 1.00 0.00 N ATOM 551 CA LEU A 159 2.902 -0.482 -4.117 1.00 0.00 C ATOM 552 C LEU A 159 1.559 -1.155 -4.375 1.00 0.00 C ATOM 553 O LEU A 159 1.055 -1.895 -3.529 1.00 0.00 O ATOM 554 CB LEU A 159 3.967 -1.080 -5.041 1.00 0.00 C ATOM 555 CG LEU A 159 5.414 -0.870 -4.594 1.00 0.00 C ATOM 556 CD1 LEU A 159 6.296 -2.000 -5.100 1.00 0.00 C ATOM 557 CD2 LEU A 159 5.932 0.473 -5.084 1.00 0.00 C ATOM 0 H LEU A 159 3.454 -1.602 -2.432 1.00 0.00 H new ATOM 0 HA LEU A 159 2.809 0.583 -4.327 1.00 0.00 H new ATOM 0 HB2 LEU A 159 3.785 -2.151 -5.133 1.00 0.00 H new ATOM 0 HB3 LEU A 159 3.845 -0.649 -6.035 1.00 0.00 H new ATOM 0 HG LEU A 159 5.443 -0.873 -3.504 1.00 0.00 H new ATOM 0 HD11 LEU A 159 7.323 -1.835 -4.773 1.00 0.00 H new ATOM 0 HD12 LEU A 159 5.936 -2.949 -4.701 1.00 0.00 H new ATOM 0 HD13 LEU A 159 6.262 -2.028 -6.189 1.00 0.00 H new ATOM 0 HD21 LEU A 159 6.963 0.606 -4.757 1.00 0.00 H new ATOM 0 HD22 LEU A 159 5.890 0.504 -6.173 1.00 0.00 H new ATOM 0 HD23 LEU A 159 5.315 1.273 -4.674 1.00 0.00 H new ATOM 569 N LYS A 160 0.983 -0.902 -5.548 1.00 0.00 N ATOM 570 CA LYS A 160 -0.302 -1.495 -5.908 1.00 0.00 C ATOM 571 C LYS A 160 -0.283 -3.003 -5.679 1.00 0.00 C ATOM 572 O LYS A 160 -1.309 -3.609 -5.367 1.00 0.00 O ATOM 573 CB LYS A 160 -0.641 -1.194 -7.369 1.00 0.00 C ATOM 574 CG LYS A 160 -1.984 -1.757 -7.807 1.00 0.00 C ATOM 575 CD LYS A 160 -2.431 -1.165 -9.134 1.00 0.00 C ATOM 576 CE LYS A 160 -2.063 -2.070 -10.299 1.00 0.00 C ATOM 577 NZ LYS A 160 -3.042 -1.962 -11.416 1.00 0.00 N ATOM 0 H LYS A 160 1.383 -0.293 -6.262 1.00 0.00 H new ATOM 0 HA LYS A 160 -1.068 -1.054 -5.270 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -0.642 -0.114 -7.519 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.142 -1.604 -8.007 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -1.913 -2.841 -7.897 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -2.733 -1.548 -7.044 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -3.510 -1.009 -9.119 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -1.970 -0.187 -9.271 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -1.069 -1.809 -10.661 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -2.016 -3.103 -9.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -2.756 -2.594 -12.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -3.987 -2.235 -11.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -3.068 -0.981 -11.761 1.00 0.00 H new ATOM 591 N GLU A 161 0.895 -3.601 -5.827 1.00 0.00 N ATOM 592 CA GLU A 161 1.056 -5.035 -5.630 1.00 0.00 C ATOM 593 C GLU A 161 0.930 -5.388 -4.152 1.00 0.00 C ATOM 594 O GLU A 161 0.307 -6.388 -3.792 1.00 0.00 O ATOM 595 CB GLU A 161 2.414 -5.495 -6.163 1.00 0.00 C ATOM 596 CG GLU A 161 2.645 -5.139 -7.624 1.00 0.00 C ATOM 597 CD GLU A 161 3.724 -4.089 -7.807 1.00 0.00 C ATOM 598 OE1 GLU A 161 4.737 -4.145 -7.076 1.00 0.00 O ATOM 599 OE2 GLU A 161 3.558 -3.213 -8.680 1.00 0.00 O ATOM 0 H GLU A 161 1.753 -3.112 -6.083 1.00 0.00 H new ATOM 0 HA GLU A 161 0.268 -5.548 -6.181 1.00 0.00 H new ATOM 0 HB2 GLU A 161 3.203 -5.047 -5.559 1.00 0.00 H new ATOM 0 HB3 GLU A 161 2.495 -6.575 -6.043 1.00 0.00 H new ATOM 0 HG2 GLU A 161 2.922 -6.039 -8.173 1.00 0.00 H new ATOM 0 HG3 GLU A 161 1.713 -4.776 -8.057 1.00 0.00 H new ATOM 606 N ASP A 162 1.519 -4.555 -3.300 1.00 0.00 N ATOM 607 CA ASP A 162 1.470 -4.776 -1.861 1.00 0.00 C ATOM 608 C ASP A 162 0.033 -4.716 -1.359 1.00 0.00 C ATOM 609 O ASP A 162 -0.407 -5.582 -0.603 1.00 0.00 O ATOM 610 CB ASP A 162 2.326 -3.738 -1.131 1.00 0.00 C ATOM 611 CG ASP A 162 3.811 -3.992 -1.301 1.00 0.00 C ATOM 612 OD1 ASP A 162 4.207 -5.175 -1.367 1.00 0.00 O ATOM 613 OD2 ASP A 162 4.578 -3.009 -1.366 1.00 0.00 O ATOM 0 H ASP A 162 2.035 -3.722 -3.582 1.00 0.00 H new ATOM 0 HA ASP A 162 1.870 -5.768 -1.654 1.00 0.00 H new ATOM 0 HB2 ASP A 162 2.085 -2.743 -1.506 1.00 0.00 H new ATOM 0 HB3 ASP A 162 2.078 -3.747 -0.070 1.00 0.00 H new ATOM 618 N ILE A 163 -0.698 -3.692 -1.790 1.00 0.00 N ATOM 619 CA ILE A 163 -2.088 -3.532 -1.388 1.00 0.00 C ATOM 620 C ILE A 163 -2.924 -4.705 -1.884 1.00 0.00 C ATOM 621 O ILE A 163 -3.680 -5.309 -1.123 1.00 0.00 O ATOM 622 CB ILE A 163 -2.688 -2.216 -1.923 1.00 0.00 C ATOM 623 CG1 ILE A 163 -1.804 -1.031 -1.533 1.00 0.00 C ATOM 624 CG2 ILE A 163 -4.102 -2.024 -1.392 1.00 0.00 C ATOM 625 CD1 ILE A 163 -1.668 -0.848 -0.037 1.00 0.00 C ATOM 0 H ILE A 163 -0.351 -2.964 -2.415 1.00 0.00 H new ATOM 0 HA ILE A 163 -2.107 -3.502 -0.299 1.00 0.00 H new ATOM 0 HB ILE A 163 -2.732 -2.271 -3.011 1.00 0.00 H new ATOM 0 HG12 ILE A 163 -0.813 -1.169 -1.966 1.00 0.00 H new ATOM 0 HG13 ILE A 163 -2.218 -0.121 -1.967 1.00 0.00 H new ATOM 0 HG21 ILE A 163 -4.512 -1.091 -1.778 1.00 0.00 H new ATOM 0 HG22 ILE A 163 -4.728 -2.856 -1.714 1.00 0.00 H new ATOM 0 HG23 ILE A 163 -4.080 -1.987 -0.303 1.00 0.00 H new ATOM 0 HD11 ILE A 163 -1.028 0.010 0.168 1.00 0.00 H new ATOM 0 HD12 ILE A 163 -2.652 -0.679 0.400 1.00 0.00 H new ATOM 0 HD13 ILE A 163 -1.226 -1.743 0.400 1.00 0.00 H new ATOM 637 N ASP A 164 -2.772 -5.033 -3.164 1.00 0.00 N ATOM 638 CA ASP A 164 -3.505 -6.145 -3.758 1.00 0.00 C ATOM 639 C ASP A 164 -3.212 -7.437 -3.003 1.00 0.00 C ATOM 640 O ASP A 164 -4.068 -8.317 -2.897 1.00 0.00 O ATOM 641 CB ASP A 164 -3.130 -6.304 -5.232 1.00 0.00 C ATOM 642 CG ASP A 164 -3.971 -7.354 -5.933 1.00 0.00 C ATOM 643 OD1 ASP A 164 -5.151 -7.515 -5.559 1.00 0.00 O ATOM 644 OD2 ASP A 164 -3.448 -8.015 -6.854 1.00 0.00 O ATOM 0 H ASP A 164 -2.149 -4.545 -3.808 1.00 0.00 H new ATOM 0 HA ASP A 164 -4.571 -5.931 -3.688 1.00 0.00 H new ATOM 0 HB2 ASP A 164 -3.251 -5.347 -5.740 1.00 0.00 H new ATOM 0 HB3 ASP A 164 -2.077 -6.575 -5.309 1.00 0.00 H new ATOM 649 N ALA A 165 -1.999 -7.535 -2.467 1.00 0.00 N ATOM 650 CA ALA A 165 -1.592 -8.709 -1.707 1.00 0.00 C ATOM 651 C ALA A 165 -2.167 -8.647 -0.300 1.00 0.00 C ATOM 652 O ALA A 165 -2.638 -9.649 0.240 1.00 0.00 O ATOM 653 CB ALA A 165 -0.076 -8.813 -1.660 1.00 0.00 C ATOM 0 H ALA A 165 -1.282 -6.814 -2.546 1.00 0.00 H new ATOM 0 HA ALA A 165 -1.980 -9.599 -2.203 1.00 0.00 H new ATOM 0 HB1 ALA A 165 0.211 -9.696 -1.088 1.00 0.00 H new ATOM 0 HB2 ALA A 165 0.315 -8.895 -2.674 1.00 0.00 H new ATOM 0 HB3 ALA A 165 0.335 -7.923 -1.184 1.00 0.00 H new ATOM 659 N PHE A 166 -2.139 -7.453 0.279 1.00 0.00 N ATOM 660 CA PHE A 166 -2.670 -7.234 1.616 1.00 0.00 C ATOM 661 C PHE A 166 -4.164 -7.546 1.649 1.00 0.00 C ATOM 662 O PHE A 166 -4.716 -7.891 2.694 1.00 0.00 O ATOM 663 CB PHE A 166 -2.422 -5.786 2.045 1.00 0.00 C ATOM 664 CG PHE A 166 -3.006 -5.444 3.384 1.00 0.00 C ATOM 665 CD1 PHE A 166 -4.359 -5.179 3.515 1.00 0.00 C ATOM 666 CD2 PHE A 166 -2.203 -5.388 4.510 1.00 0.00 C ATOM 667 CE1 PHE A 166 -4.900 -4.865 4.744 1.00 0.00 C ATOM 668 CE2 PHE A 166 -2.737 -5.074 5.744 1.00 0.00 C ATOM 669 CZ PHE A 166 -4.089 -4.811 5.862 1.00 0.00 C ATOM 0 H PHE A 166 -1.752 -6.618 -0.160 1.00 0.00 H new ATOM 0 HA PHE A 166 -2.161 -7.901 2.312 1.00 0.00 H new ATOM 0 HB2 PHE A 166 -1.348 -5.603 2.070 1.00 0.00 H new ATOM 0 HB3 PHE A 166 -2.842 -5.117 1.294 1.00 0.00 H new ATOM 0 HD1 PHE A 166 -4.998 -5.219 2.645 1.00 0.00 H new ATOM 0 HD2 PHE A 166 -1.146 -5.592 4.422 1.00 0.00 H new ATOM 0 HE1 PHE A 166 -5.957 -4.661 4.833 1.00 0.00 H new ATOM 0 HE2 PHE A 166 -2.100 -5.034 6.615 1.00 0.00 H new ATOM 0 HZ PHE A 166 -4.510 -4.564 6.825 1.00 0.00 H new ATOM 679 N LEU A 167 -4.809 -7.422 0.492 1.00 0.00 N ATOM 680 CA LEU A 167 -6.237 -7.688 0.372 1.00 0.00 C ATOM 681 C LEU A 167 -6.489 -9.170 0.122 1.00 0.00 C ATOM 682 O LEU A 167 -7.364 -9.777 0.740 1.00 0.00 O ATOM 683 CB LEU A 167 -6.832 -6.861 -0.770 1.00 0.00 C ATOM 684 CG LEU A 167 -7.262 -5.435 -0.403 1.00 0.00 C ATOM 685 CD1 LEU A 167 -6.271 -4.795 0.559 1.00 0.00 C ATOM 686 CD2 LEU A 167 -7.400 -4.589 -1.660 1.00 0.00 C ATOM 0 H LEU A 167 -4.361 -7.137 -0.379 1.00 0.00 H new ATOM 0 HA LEU A 167 -6.718 -7.406 1.308 1.00 0.00 H new ATOM 0 HB2 LEU A 167 -6.098 -6.804 -1.574 1.00 0.00 H new ATOM 0 HB3 LEU A 167 -7.698 -7.392 -1.166 1.00 0.00 H new ATOM 0 HG LEU A 167 -8.230 -5.489 0.096 1.00 0.00 H new ATOM 0 HD11 LEU A 167 -6.601 -3.785 0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 167 -6.215 -5.388 1.472 1.00 0.00 H new ATOM 0 HD13 LEU A 167 -5.287 -4.753 0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 167 -7.706 -3.579 -1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 167 -6.443 -4.550 -2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 167 -8.151 -5.031 -2.315 1.00 0.00 H new ATOM 698 N ALA A 168 -5.715 -9.743 -0.791 1.00 0.00 N ATOM 699 CA ALA A 168 -5.846 -11.154 -1.133 1.00 0.00 C ATOM 700 C ALA A 168 -4.833 -12.001 -0.371 1.00 0.00 C ATOM 701 O ALA A 168 -4.376 -13.033 -0.862 1.00 0.00 O ATOM 702 CB ALA A 168 -5.676 -11.349 -2.633 1.00 0.00 C ATOM 0 H ALA A 168 -4.988 -9.251 -1.310 1.00 0.00 H new ATOM 0 HA ALA A 168 -6.844 -11.482 -0.844 1.00 0.00 H new ATOM 0 HB1 ALA A 168 -5.776 -12.407 -2.876 1.00 0.00 H new ATOM 0 HB2 ALA A 168 -6.441 -10.781 -3.163 1.00 0.00 H new ATOM 0 HB3 ALA A 168 -4.689 -10.999 -2.936 1.00 0.00 H new