USER MOD reduce.3.24.130724 H: found=0, std=0, add=413, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 414 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 136 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 148 THR OG1 : rot 180:sc= 0.00201 USER MOD Single : A 150 THR OG1 : rot 180:sc= -0.355 USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 155 ASN : amide:sc= -0.0094 K(o=-0.0094,f=-1.4) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 166 THR OG1 : rot 180:sc= 0 USER MOD Single : A 172 THR OG1 : rot 78:sc= -0.275 USER MOD Single : A 179 SER OG : rot 180:sc= 0 USER MOD Single : A 180 GLN : amide:sc= -3.28 K(o=-3.3,f=-4.8!) USER MOD Single : A 183 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 76 N ARG A 132 -0.923 -7.431 -0.251 1.00 0.00 N ATOM 77 CA ARG A 132 -0.050 -7.854 0.837 1.00 0.00 C ATOM 78 C ARG A 132 0.462 -6.652 1.623 1.00 0.00 C ATOM 79 O ARG A 132 0.796 -5.615 1.048 1.00 0.00 O ATOM 80 CB ARG A 132 1.130 -8.660 0.288 1.00 0.00 C ATOM 81 CG ARG A 132 0.897 -10.161 0.297 1.00 0.00 C ATOM 82 CD ARG A 132 2.092 -10.913 -0.269 1.00 0.00 C ATOM 83 NE ARG A 132 2.284 -10.644 -1.691 1.00 0.00 N ATOM 84 CZ ARG A 132 3.421 -10.877 -2.343 1.00 0.00 C ATOM 85 NH1 ARG A 132 4.469 -11.381 -1.704 1.00 0.00 N ATOM 86 NH2 ARG A 132 3.511 -10.605 -3.638 1.00 0.00 N ATOM 0 HA ARG A 132 -0.630 -8.485 1.511 1.00 0.00 H new ATOM 0 HB2 ARG A 132 1.335 -8.339 -0.733 1.00 0.00 H new ATOM 0 HB3 ARG A 132 2.019 -8.435 0.878 1.00 0.00 H new ATOM 0 HG2 ARG A 132 0.705 -10.495 1.317 1.00 0.00 H new ATOM 0 HG3 ARG A 132 0.008 -10.396 -0.288 1.00 0.00 H new ATOM 0 HD2 ARG A 132 2.991 -10.629 0.278 1.00 0.00 H new ATOM 0 HD3 ARG A 132 1.951 -11.983 -0.118 1.00 0.00 H new ATOM 0 HE ARG A 132 1.501 -10.255 -2.216 1.00 0.00 H new ATOM 0 HH11 ARG A 132 4.406 -11.592 -0.708 1.00 0.00 H new ATOM 0 HH12 ARG A 132 5.338 -11.557 -2.209 1.00 0.00 H new ATOM 0 HH21 ARG A 132 2.709 -10.217 -4.135 1.00 0.00 H new ATOM 0 HH22 ARG A 132 4.382 -10.784 -4.137 1.00 0.00 H new ATOM 100 N GLU A 133 0.520 -6.796 2.945 1.00 0.00 N ATOM 101 CA GLU A 133 0.991 -5.718 3.807 1.00 0.00 C ATOM 102 C GLU A 133 2.393 -5.277 3.405 1.00 0.00 C ATOM 103 O GLU A 133 3.147 -6.039 2.801 1.00 0.00 O ATOM 104 CB GLU A 133 0.987 -6.160 5.272 1.00 0.00 C ATOM 105 CG GLU A 133 -0.244 -6.959 5.667 1.00 0.00 C ATOM 106 CD GLU A 133 0.087 -8.385 6.062 1.00 0.00 C ATOM 107 OE1 GLU A 133 0.774 -9.074 5.278 1.00 0.00 O ATOM 108 OE2 GLU A 133 -0.339 -8.812 7.155 1.00 0.00 O ATOM 0 H GLU A 133 0.248 -7.645 3.440 1.00 0.00 H new ATOM 0 HA GLU A 133 0.311 -4.874 3.690 1.00 0.00 H new ATOM 0 HB2 GLU A 133 1.876 -6.761 5.463 1.00 0.00 H new ATOM 0 HB3 GLU A 133 1.056 -5.278 5.908 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -0.743 -6.462 6.499 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -0.947 -6.971 4.834 1.00 0.00 H new ATOM 115 N GLY A 134 2.736 -4.039 3.743 1.00 0.00 N ATOM 116 CA GLY A 134 4.046 -3.515 3.407 1.00 0.00 C ATOM 117 C GLY A 134 4.225 -3.285 1.916 1.00 0.00 C ATOM 118 O GLY A 134 5.329 -2.986 1.460 1.00 0.00 O ATOM 0 H GLY A 134 2.130 -3.389 4.244 1.00 0.00 H new ATOM 0 HA2 GLY A 134 4.203 -2.575 3.936 1.00 0.00 H new ATOM 0 HA3 GLY A 134 4.810 -4.209 3.757 1.00 0.00 H new ATOM 122 N ASP A 135 3.142 -3.422 1.153 1.00 0.00 N ATOM 123 CA ASP A 135 3.200 -3.222 -0.290 1.00 0.00 C ATOM 124 C ASP A 135 3.625 -1.796 -0.622 1.00 0.00 C ATOM 125 O ASP A 135 3.855 -0.982 0.273 1.00 0.00 O ATOM 126 CB ASP A 135 1.840 -3.527 -0.925 1.00 0.00 C ATOM 127 CG ASP A 135 1.861 -4.799 -1.751 1.00 0.00 C ATOM 128 OD1 ASP A 135 2.875 -5.047 -2.436 1.00 0.00 O ATOM 129 OD2 ASP A 135 0.861 -5.548 -1.712 1.00 0.00 O ATOM 0 H ASP A 135 2.219 -3.669 1.510 1.00 0.00 H new ATOM 0 HA ASP A 135 3.942 -3.907 -0.699 1.00 0.00 H new ATOM 0 HB2 ASP A 135 1.088 -3.618 -0.141 1.00 0.00 H new ATOM 0 HB3 ASP A 135 1.541 -2.691 -1.557 1.00 0.00 H new ATOM 134 N GLN A 136 3.732 -1.498 -1.914 1.00 0.00 N ATOM 135 CA GLN A 136 4.133 -0.170 -2.359 1.00 0.00 C ATOM 136 C GLN A 136 3.325 0.269 -3.576 1.00 0.00 C ATOM 137 O GLN A 136 3.157 -0.491 -4.530 1.00 0.00 O ATOM 138 CB GLN A 136 5.627 -0.152 -2.690 1.00 0.00 C ATOM 139 CG GLN A 136 6.521 -0.071 -1.463 1.00 0.00 C ATOM 140 CD GLN A 136 7.797 -0.874 -1.619 1.00 0.00 C ATOM 141 OE1 GLN A 136 8.751 -0.429 -2.256 1.00 0.00 O ATOM 142 NE2 GLN A 136 7.822 -2.067 -1.035 1.00 0.00 N ATOM 0 H GLN A 136 3.547 -2.158 -2.669 1.00 0.00 H new ATOM 0 HA GLN A 136 3.937 0.531 -1.547 1.00 0.00 H new ATOM 0 HB2 GLN A 136 5.877 -1.052 -3.253 1.00 0.00 H new ATOM 0 HB3 GLN A 136 5.837 0.698 -3.339 1.00 0.00 H new ATOM 0 HG2 GLN A 136 6.773 0.972 -1.270 1.00 0.00 H new ATOM 0 HG3 GLN A 136 5.972 -0.433 -0.593 1.00 0.00 H new ATOM 0 HE21 GLN A 136 7.009 -2.398 -0.516 1.00 0.00 H new ATOM 0 HE22 GLN A 136 8.655 -2.652 -1.106 1.00 0.00 H new ATOM 151 N VAL A 137 2.830 1.501 -3.534 1.00 0.00 N ATOM 152 CA VAL A 137 2.040 2.050 -4.632 1.00 0.00 C ATOM 153 C VAL A 137 2.355 3.526 -4.839 1.00 0.00 C ATOM 154 O VAL A 137 2.638 4.247 -3.883 1.00 0.00 O ATOM 155 CB VAL A 137 0.531 1.887 -4.374 1.00 0.00 C ATOM 156 CG1 VAL A 137 0.139 0.417 -4.393 1.00 0.00 C ATOM 157 CG2 VAL A 137 0.143 2.533 -3.052 1.00 0.00 C ATOM 0 H VAL A 137 2.962 2.140 -2.750 1.00 0.00 H new ATOM 0 HA VAL A 137 2.306 1.492 -5.530 1.00 0.00 H new ATOM 0 HB VAL A 137 -0.011 2.393 -5.173 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -0.931 0.323 -4.209 1.00 0.00 H new ATOM 0 HG12 VAL A 137 0.378 -0.011 -5.367 1.00 0.00 H new ATOM 0 HG13 VAL A 137 0.689 -0.116 -3.617 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -0.927 2.408 -2.886 1.00 0.00 H new ATOM 0 HG22 VAL A 137 0.694 2.059 -2.240 1.00 0.00 H new ATOM 0 HG23 VAL A 137 0.384 3.596 -3.082 1.00 0.00 H new ATOM 167 N ARG A 138 2.308 3.974 -6.092 1.00 0.00 N ATOM 168 CA ARG A 138 2.595 5.370 -6.411 1.00 0.00 C ATOM 169 C ARG A 138 1.392 6.259 -6.122 1.00 0.00 C ATOM 170 O ARG A 138 0.282 5.773 -5.898 1.00 0.00 O ATOM 171 CB ARG A 138 3.010 5.511 -7.881 1.00 0.00 C ATOM 172 CG ARG A 138 4.278 6.332 -8.078 1.00 0.00 C ATOM 173 CD ARG A 138 5.165 5.734 -9.159 1.00 0.00 C ATOM 174 NE ARG A 138 6.355 6.547 -9.400 1.00 0.00 N ATOM 175 CZ ARG A 138 7.098 6.467 -10.503 1.00 0.00 C ATOM 176 NH1 ARG A 138 6.777 5.612 -11.466 1.00 0.00 N ATOM 177 NH2 ARG A 138 8.162 7.245 -10.644 1.00 0.00 N ATOM 0 H ARG A 138 2.075 3.394 -6.898 1.00 0.00 H new ATOM 0 HA ARG A 138 3.420 5.693 -5.777 1.00 0.00 H new ATOM 0 HB2 ARG A 138 3.160 4.518 -8.305 1.00 0.00 H new ATOM 0 HB3 ARG A 138 2.196 5.975 -8.437 1.00 0.00 H new ATOM 0 HG2 ARG A 138 4.013 7.354 -8.347 1.00 0.00 H new ATOM 0 HG3 ARG A 138 4.830 6.383 -7.139 1.00 0.00 H new ATOM 0 HD2 ARG A 138 5.466 4.728 -8.866 1.00 0.00 H new ATOM 0 HD3 ARG A 138 4.596 5.640 -10.084 1.00 0.00 H new ATOM 0 HE ARG A 138 6.633 7.215 -8.681 1.00 0.00 H new ATOM 0 HH11 ARG A 138 5.958 5.012 -11.364 1.00 0.00 H new ATOM 0 HH12 ARG A 138 7.349 5.555 -12.309 1.00 0.00 H new ATOM 0 HH21 ARG A 138 8.412 7.905 -9.908 1.00 0.00 H new ATOM 0 HH22 ARG A 138 8.731 7.183 -11.489 1.00 0.00 H new ATOM 191 N VAL A 139 1.624 7.566 -6.122 1.00 0.00 N ATOM 192 CA VAL A 139 0.570 8.539 -5.852 1.00 0.00 C ATOM 193 C VAL A 139 -0.299 8.775 -7.086 1.00 0.00 C ATOM 194 O VAL A 139 0.154 8.612 -8.219 1.00 0.00 O ATOM 195 CB VAL A 139 1.166 9.881 -5.390 1.00 0.00 C ATOM 196 CG1 VAL A 139 0.071 10.818 -4.906 1.00 0.00 C ATOM 197 CG2 VAL A 139 2.210 9.660 -4.302 1.00 0.00 C ATOM 0 H VAL A 139 2.538 7.979 -6.307 1.00 0.00 H new ATOM 0 HA VAL A 139 -0.051 8.126 -5.057 1.00 0.00 H new ATOM 0 HB VAL A 139 1.658 10.348 -6.243 1.00 0.00 H new ATOM 0 HG11 VAL A 139 0.514 11.760 -4.584 1.00 0.00 H new ATOM 0 HG12 VAL A 139 -0.632 11.006 -5.718 1.00 0.00 H new ATOM 0 HG13 VAL A 139 -0.456 10.360 -4.069 1.00 0.00 H new ATOM 0 HG21 VAL A 139 2.619 10.621 -3.989 1.00 0.00 H new ATOM 0 HG22 VAL A 139 1.746 9.168 -3.447 1.00 0.00 H new ATOM 0 HG23 VAL A 139 3.013 9.033 -4.690 1.00 0.00 H new ATOM 207 N VAL A 140 -1.557 9.148 -6.854 1.00 0.00 N ATOM 208 CA VAL A 140 -2.504 9.394 -7.940 1.00 0.00 C ATOM 209 C VAL A 140 -2.525 10.863 -8.365 1.00 0.00 C ATOM 210 O VAL A 140 -2.906 11.182 -9.492 1.00 0.00 O ATOM 211 CB VAL A 140 -3.930 8.983 -7.530 1.00 0.00 C ATOM 212 CG1 VAL A 140 -4.418 9.835 -6.365 1.00 0.00 C ATOM 213 CG2 VAL A 140 -4.880 9.091 -8.714 1.00 0.00 C ATOM 0 H VAL A 140 -1.944 9.287 -5.921 1.00 0.00 H new ATOM 0 HA VAL A 140 -2.168 8.789 -8.782 1.00 0.00 H new ATOM 0 HB VAL A 140 -3.909 7.943 -7.206 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -5.427 9.530 -6.089 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -3.753 9.701 -5.512 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -4.424 10.885 -6.659 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -5.883 8.796 -8.404 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -4.899 10.120 -9.073 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -4.540 8.434 -9.514 1.00 0.00 H new ATOM 223 N SER A 141 -2.137 11.753 -7.459 1.00 0.00 N ATOM 224 CA SER A 141 -2.139 13.183 -7.749 1.00 0.00 C ATOM 225 C SER A 141 -0.917 13.583 -8.570 1.00 0.00 C ATOM 226 O SER A 141 0.121 12.926 -8.518 1.00 0.00 O ATOM 227 CB SER A 141 -2.175 13.987 -6.448 1.00 0.00 C ATOM 228 OG SER A 141 -3.183 13.502 -5.578 1.00 0.00 O ATOM 0 H SER A 141 -1.818 11.512 -6.521 1.00 0.00 H new ATOM 0 HA SER A 141 -3.032 13.403 -8.335 1.00 0.00 H new ATOM 0 HB2 SER A 141 -1.205 13.930 -5.954 1.00 0.00 H new ATOM 0 HB3 SER A 141 -2.357 15.038 -6.671 1.00 0.00 H new ATOM 0 HG SER A 141 -3.185 14.031 -4.753 1.00 0.00 H new ATOM 234 N GLY A 142 -1.056 14.664 -9.330 1.00 0.00 N ATOM 235 CA GLY A 142 0.036 15.142 -10.159 1.00 0.00 C ATOM 236 C GLY A 142 1.217 15.642 -9.345 1.00 0.00 C ATOM 237 O GLY A 142 2.316 15.097 -9.449 1.00 0.00 O ATOM 0 H GLY A 142 -1.909 15.220 -9.387 1.00 0.00 H new ATOM 0 HA2 GLY A 142 0.367 14.337 -10.815 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -0.325 15.947 -10.799 1.00 0.00 H new ATOM 241 N PRO A 143 1.023 16.684 -8.517 1.00 0.00 N ATOM 242 CA PRO A 143 2.094 17.242 -7.686 1.00 0.00 C ATOM 243 C PRO A 143 2.788 16.175 -6.843 1.00 0.00 C ATOM 244 O PRO A 143 3.938 16.342 -6.437 1.00 0.00 O ATOM 245 CB PRO A 143 1.375 18.259 -6.785 1.00 0.00 C ATOM 246 CG PRO A 143 -0.082 17.978 -6.945 1.00 0.00 C ATOM 247 CD PRO A 143 -0.245 17.399 -8.320 1.00 0.00 C ATOM 0 HA PRO A 143 2.883 17.686 -8.293 1.00 0.00 H new ATOM 0 HB2 PRO A 143 1.684 18.149 -5.745 1.00 0.00 H new ATOM 0 HB3 PRO A 143 1.612 19.281 -7.081 1.00 0.00 H new ATOM 0 HG2 PRO A 143 -0.430 17.279 -6.184 1.00 0.00 H new ATOM 0 HG3 PRO A 143 -0.669 18.889 -6.834 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -1.102 16.728 -8.379 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -0.395 18.174 -9.072 1.00 0.00 H new ATOM 255 N PHE A 144 2.080 15.079 -6.584 1.00 0.00 N ATOM 256 CA PHE A 144 2.630 13.985 -5.789 1.00 0.00 C ATOM 257 C PHE A 144 2.861 12.738 -6.645 1.00 0.00 C ATOM 258 O PHE A 144 3.265 11.697 -6.129 1.00 0.00 O ATOM 259 CB PHE A 144 1.683 13.637 -4.641 1.00 0.00 C ATOM 260 CG PHE A 144 1.223 14.824 -3.843 1.00 0.00 C ATOM 261 CD1 PHE A 144 2.138 15.712 -3.302 1.00 0.00 C ATOM 262 CD2 PHE A 144 -0.127 15.046 -3.637 1.00 0.00 C ATOM 263 CE1 PHE A 144 1.712 16.802 -2.566 1.00 0.00 C ATOM 264 CE2 PHE A 144 -0.560 16.133 -2.904 1.00 0.00 C ATOM 265 CZ PHE A 144 0.361 17.013 -2.367 1.00 0.00 C ATOM 0 H PHE A 144 1.127 14.925 -6.912 1.00 0.00 H new ATOM 0 HA PHE A 144 3.588 14.317 -5.389 1.00 0.00 H new ATOM 0 HB2 PHE A 144 0.810 13.125 -5.047 1.00 0.00 H new ATOM 0 HB3 PHE A 144 2.182 12.935 -3.973 1.00 0.00 H new ATOM 0 HD1 PHE A 144 3.195 15.551 -3.457 1.00 0.00 H new ATOM 0 HD2 PHE A 144 -0.850 14.361 -4.054 1.00 0.00 H new ATOM 0 HE1 PHE A 144 2.434 17.487 -2.147 1.00 0.00 H new ATOM 0 HE2 PHE A 144 -1.617 16.296 -2.750 1.00 0.00 H new ATOM 0 HZ PHE A 144 0.025 17.864 -1.793 1.00 0.00 H new ATOM 275 N ALA A 145 2.593 12.841 -7.945 1.00 0.00 N ATOM 276 CA ALA A 145 2.758 11.712 -8.857 1.00 0.00 C ATOM 277 C ALA A 145 4.228 11.361 -9.084 1.00 0.00 C ATOM 278 O ALA A 145 4.670 11.208 -10.225 1.00 0.00 O ATOM 279 CB ALA A 145 2.078 12.009 -10.186 1.00 0.00 C ATOM 0 H ALA A 145 2.260 13.696 -8.391 1.00 0.00 H new ATOM 0 HA ALA A 145 2.287 10.847 -8.391 1.00 0.00 H new ATOM 0 HB1 ALA A 145 2.207 11.161 -10.858 1.00 0.00 H new ATOM 0 HB2 ALA A 145 1.015 12.182 -10.020 1.00 0.00 H new ATOM 0 HB3 ALA A 145 2.525 12.897 -10.633 1.00 0.00 H new ATOM 285 N ASP A 146 4.979 11.216 -7.999 1.00 0.00 N ATOM 286 CA ASP A 146 6.388 10.864 -8.088 1.00 0.00 C ATOM 287 C ASP A 146 6.880 10.306 -6.761 1.00 0.00 C ATOM 288 O ASP A 146 8.041 10.484 -6.388 1.00 0.00 O ATOM 289 CB ASP A 146 7.226 12.076 -8.499 1.00 0.00 C ATOM 290 CG ASP A 146 8.477 11.684 -9.261 1.00 0.00 C ATOM 291 OD1 ASP A 146 8.356 10.947 -10.261 1.00 0.00 O ATOM 292 OD2 ASP A 146 9.578 12.114 -8.856 1.00 0.00 O ATOM 0 H ASP A 146 4.634 11.337 -7.047 1.00 0.00 H new ATOM 0 HA ASP A 146 6.500 10.096 -8.853 1.00 0.00 H new ATOM 0 HB2 ASP A 146 6.621 12.740 -9.117 1.00 0.00 H new ATOM 0 HB3 ASP A 146 7.508 12.638 -7.609 1.00 0.00 H new ATOM 297 N PHE A 147 5.984 9.633 -6.058 1.00 0.00 N ATOM 298 CA PHE A 147 6.307 9.039 -4.768 1.00 0.00 C ATOM 299 C PHE A 147 5.377 7.870 -4.475 1.00 0.00 C ATOM 300 O PHE A 147 4.209 7.882 -4.861 1.00 0.00 O ATOM 301 CB PHE A 147 6.195 10.086 -3.657 1.00 0.00 C ATOM 302 CG PHE A 147 7.134 11.245 -3.827 1.00 0.00 C ATOM 303 CD1 PHE A 147 8.505 11.060 -3.743 1.00 0.00 C ATOM 304 CD2 PHE A 147 6.648 12.519 -4.069 1.00 0.00 C ATOM 305 CE1 PHE A 147 9.373 12.125 -3.897 1.00 0.00 C ATOM 306 CE2 PHE A 147 7.509 13.589 -4.224 1.00 0.00 C ATOM 307 CZ PHE A 147 8.873 13.391 -4.138 1.00 0.00 C ATOM 0 H PHE A 147 5.021 9.483 -6.360 1.00 0.00 H new ATOM 0 HA PHE A 147 7.333 8.672 -4.805 1.00 0.00 H new ATOM 0 HB2 PHE A 147 5.172 10.460 -3.623 1.00 0.00 H new ATOM 0 HB3 PHE A 147 6.391 9.608 -2.697 1.00 0.00 H new ATOM 0 HD1 PHE A 147 8.900 10.072 -3.555 1.00 0.00 H new ATOM 0 HD2 PHE A 147 5.582 12.679 -4.138 1.00 0.00 H new ATOM 0 HE1 PHE A 147 10.439 11.968 -3.829 1.00 0.00 H new ATOM 0 HE2 PHE A 147 7.116 14.577 -4.412 1.00 0.00 H new ATOM 0 HZ PHE A 147 9.549 14.225 -4.259 1.00 0.00 H new ATOM 317 N THR A 148 5.899 6.858 -3.795 1.00 0.00 N ATOM 318 CA THR A 148 5.105 5.685 -3.460 1.00 0.00 C ATOM 319 C THR A 148 4.683 5.711 -1.996 1.00 0.00 C ATOM 320 O THR A 148 5.149 6.544 -1.219 1.00 0.00 O ATOM 321 CB THR A 148 5.891 4.408 -3.756 1.00 0.00 C ATOM 322 OG1 THR A 148 7.200 4.488 -3.221 1.00 0.00 O ATOM 323 CG2 THR A 148 6.019 4.112 -5.235 1.00 0.00 C ATOM 0 H THR A 148 6.864 6.826 -3.466 1.00 0.00 H new ATOM 0 HA THR A 148 4.206 5.699 -4.076 1.00 0.00 H new ATOM 0 HB THR A 148 5.321 3.605 -3.288 1.00 0.00 H new ATOM 0 HG1 THR A 148 7.686 3.660 -3.420 1.00 0.00 H new ATOM 0 HG21 THR A 148 6.588 3.193 -5.374 1.00 0.00 H new ATOM 0 HG22 THR A 148 5.026 3.994 -5.670 1.00 0.00 H new ATOM 0 HG23 THR A 148 6.535 4.936 -5.728 1.00 0.00 H new ATOM 331 N GLY A 149 3.797 4.793 -1.628 1.00 0.00 N ATOM 332 CA GLY A 149 3.325 4.727 -0.258 1.00 0.00 C ATOM 333 C GLY A 149 3.482 3.346 0.346 1.00 0.00 C ATOM 334 O GLY A 149 3.078 2.350 -0.255 1.00 0.00 O ATOM 0 H GLY A 149 3.397 4.094 -2.254 1.00 0.00 H new ATOM 0 HA2 GLY A 149 3.874 5.449 0.347 1.00 0.00 H new ATOM 0 HA3 GLY A 149 2.275 5.017 -0.225 1.00 0.00 H new ATOM 338 N THR A 150 4.071 3.285 1.537 1.00 0.00 N ATOM 339 CA THR A 150 4.281 2.016 2.223 1.00 0.00 C ATOM 340 C THR A 150 3.115 1.702 3.155 1.00 0.00 C ATOM 341 O THR A 150 2.975 2.311 4.215 1.00 0.00 O ATOM 342 CB THR A 150 5.588 2.053 3.019 1.00 0.00 C ATOM 343 OG1 THR A 150 6.562 2.832 2.351 1.00 0.00 O ATOM 344 CG2 THR A 150 6.182 0.681 3.257 1.00 0.00 C ATOM 0 H THR A 150 4.411 4.101 2.046 1.00 0.00 H new ATOM 0 HA THR A 150 4.343 1.230 1.470 1.00 0.00 H new ATOM 0 HB THR A 150 5.326 2.491 3.982 1.00 0.00 H new ATOM 0 HG1 THR A 150 7.389 2.844 2.877 1.00 0.00 H new ATOM 0 HG21 THR A 150 7.106 0.778 3.826 1.00 0.00 H new ATOM 0 HG22 THR A 150 5.474 0.070 3.817 1.00 0.00 H new ATOM 0 HG23 THR A 150 6.394 0.205 2.300 1.00 0.00 H new ATOM 352 N VAL A 151 2.282 0.749 2.752 1.00 0.00 N ATOM 353 CA VAL A 151 1.129 0.354 3.553 1.00 0.00 C ATOM 354 C VAL A 151 1.570 -0.245 4.885 1.00 0.00 C ATOM 355 O VAL A 151 2.066 -1.369 4.937 1.00 0.00 O ATOM 356 CB VAL A 151 0.251 -0.668 2.808 1.00 0.00 C ATOM 357 CG1 VAL A 151 -1.050 -0.903 3.561 1.00 0.00 C ATOM 358 CG2 VAL A 151 -0.024 -0.206 1.384 1.00 0.00 C ATOM 0 H VAL A 151 2.383 0.236 1.876 1.00 0.00 H new ATOM 0 HA VAL A 151 0.544 1.256 3.737 1.00 0.00 H new ATOM 0 HB VAL A 151 0.792 -1.613 2.758 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -1.658 -1.628 3.020 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -0.830 -1.286 4.557 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -1.596 0.037 3.646 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -0.646 -0.943 0.876 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -0.542 0.753 1.406 1.00 0.00 H new ATOM 0 HG23 VAL A 151 0.919 -0.096 0.849 1.00 0.00 H new ATOM 368 N THR A 152 1.384 0.515 5.958 1.00 0.00 N ATOM 369 CA THR A 152 1.764 0.060 7.291 1.00 0.00 C ATOM 370 C THR A 152 0.625 -0.716 7.946 1.00 0.00 C ATOM 371 O THR A 152 0.860 -1.623 8.745 1.00 0.00 O ATOM 372 CB THR A 152 2.160 1.248 8.169 1.00 0.00 C ATOM 373 OG1 THR A 152 2.269 0.857 9.525 1.00 0.00 O ATOM 374 CG2 THR A 152 1.179 2.400 8.101 1.00 0.00 C ATOM 0 H THR A 152 0.973 1.448 5.932 1.00 0.00 H new ATOM 0 HA THR A 152 2.621 -0.605 7.188 1.00 0.00 H new ATOM 0 HB THR A 152 3.119 1.586 7.777 1.00 0.00 H new ATOM 0 HG1 THR A 152 2.525 1.631 10.069 1.00 0.00 H new ATOM 0 HG21 THR A 152 1.521 3.208 8.747 1.00 0.00 H new ATOM 0 HG22 THR A 152 1.111 2.760 7.074 1.00 0.00 H new ATOM 0 HG23 THR A 152 0.197 2.062 8.432 1.00 0.00 H new ATOM 382 N GLU A 153 -0.608 -0.356 7.602 1.00 0.00 N ATOM 383 CA GLU A 153 -1.778 -1.024 8.160 1.00 0.00 C ATOM 384 C GLU A 153 -2.997 -0.822 7.267 1.00 0.00 C ATOM 385 O GLU A 153 -3.015 0.066 6.415 1.00 0.00 O ATOM 386 CB GLU A 153 -2.070 -0.498 9.568 1.00 0.00 C ATOM 387 CG GLU A 153 -2.443 0.975 9.602 1.00 0.00 C ATOM 388 CD GLU A 153 -1.987 1.663 10.874 1.00 0.00 C ATOM 389 OE1 GLU A 153 -0.941 1.260 11.425 1.00 0.00 O ATOM 390 OE2 GLU A 153 -2.676 2.604 11.319 1.00 0.00 O ATOM 0 H GLU A 153 -0.822 0.392 6.942 1.00 0.00 H new ATOM 0 HA GLU A 153 -1.563 -2.091 8.216 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -2.882 -1.080 10.003 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -1.193 -0.657 10.195 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -2.000 1.478 8.742 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -3.524 1.074 9.507 1.00 0.00 H new ATOM 397 N ILE A 154 -4.014 -1.653 7.466 1.00 0.00 N ATOM 398 CA ILE A 154 -5.238 -1.568 6.680 1.00 0.00 C ATOM 399 C ILE A 154 -6.463 -1.455 7.581 1.00 0.00 C ATOM 400 O ILE A 154 -6.628 -2.234 8.520 1.00 0.00 O ATOM 401 CB ILE A 154 -5.404 -2.794 5.760 1.00 0.00 C ATOM 402 CG1 ILE A 154 -4.125 -3.036 4.955 1.00 0.00 C ATOM 403 CG2 ILE A 154 -6.595 -2.603 4.830 1.00 0.00 C ATOM 404 CD1 ILE A 154 -3.708 -4.489 4.909 1.00 0.00 C ATOM 0 H ILE A 154 -4.014 -2.394 8.167 1.00 0.00 H new ATOM 0 HA ILE A 154 -5.156 -0.671 6.066 1.00 0.00 H new ATOM 0 HB ILE A 154 -5.590 -3.671 6.381 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -4.272 -2.676 3.937 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -3.316 -2.447 5.387 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -6.698 -3.477 4.187 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -7.502 -2.478 5.421 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -6.438 -1.717 4.215 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -2.795 -4.587 4.322 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -3.529 -4.848 5.922 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -4.500 -5.080 4.449 1.00 0.00 H new ATOM 416 N ASN A 155 -7.318 -0.481 7.288 1.00 0.00 N ATOM 417 CA ASN A 155 -8.528 -0.266 8.071 1.00 0.00 C ATOM 418 C ASN A 155 -9.753 -0.809 7.338 1.00 0.00 C ATOM 419 O ASN A 155 -10.334 -0.125 6.496 1.00 0.00 O ATOM 420 CB ASN A 155 -8.713 1.225 8.362 1.00 0.00 C ATOM 421 CG ASN A 155 -7.745 1.733 9.413 1.00 0.00 C ATOM 422 OD1 ASN A 155 -6.953 0.970 9.966 1.00 0.00 O ATOM 423 ND2 ASN A 155 -7.805 3.029 9.694 1.00 0.00 N ATOM 0 H ASN A 155 -7.195 0.172 6.514 1.00 0.00 H new ATOM 0 HA ASN A 155 -8.422 -0.803 9.014 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -8.576 1.792 7.441 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -9.735 1.403 8.697 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -7.179 3.429 10.393 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -8.477 3.625 9.211 1.00 0.00 H new ATOM 430 N PRO A 156 -10.164 -2.052 7.649 1.00 0.00 N ATOM 431 CA PRO A 156 -11.326 -2.678 7.011 1.00 0.00 C ATOM 432 C PRO A 156 -12.641 -2.037 7.445 1.00 0.00 C ATOM 433 O PRO A 156 -13.580 -1.929 6.657 1.00 0.00 O ATOM 434 CB PRO A 156 -11.257 -4.130 7.490 1.00 0.00 C ATOM 435 CG PRO A 156 -10.516 -4.069 8.779 1.00 0.00 C ATOM 436 CD PRO A 156 -9.531 -2.941 8.641 1.00 0.00 C ATOM 0 HA PRO A 156 -11.301 -2.571 5.927 1.00 0.00 H new ATOM 0 HB2 PRO A 156 -12.254 -4.550 7.626 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -10.741 -4.761 6.766 1.00 0.00 H new ATOM 0 HG2 PRO A 156 -11.197 -3.892 9.612 1.00 0.00 H new ATOM 0 HG3 PRO A 156 -10.005 -5.011 8.980 1.00 0.00 H new ATOM 0 HD2 PRO A 156 -9.368 -2.432 9.591 1.00 0.00 H new ATOM 0 HD3 PRO A 156 -8.559 -3.296 8.299 1.00 0.00 H new ATOM 444 N GLU A 157 -12.700 -1.614 8.703 1.00 0.00 N ATOM 445 CA GLU A 157 -13.898 -0.984 9.243 1.00 0.00 C ATOM 446 C GLU A 157 -14.154 0.362 8.575 1.00 0.00 C ATOM 447 O GLU A 157 -15.301 0.784 8.423 1.00 0.00 O ATOM 448 CB GLU A 157 -13.767 -0.801 10.756 1.00 0.00 C ATOM 449 CG GLU A 157 -12.587 0.067 11.164 1.00 0.00 C ATOM 450 CD GLU A 157 -12.782 0.716 12.520 1.00 0.00 C ATOM 451 OE1 GLU A 157 -12.950 -0.023 13.513 1.00 0.00 O ATOM 452 OE2 GLU A 157 -12.767 1.963 12.589 1.00 0.00 O ATOM 0 H GLU A 157 -11.931 -1.696 9.368 1.00 0.00 H new ATOM 0 HA GLU A 157 -14.746 -1.637 9.036 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -14.685 -0.356 11.141 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -13.667 -1.780 11.225 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -11.683 -0.541 11.183 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -12.434 0.842 10.413 1.00 0.00 H new ATOM 459 N ARG A 158 -13.079 1.036 8.178 1.00 0.00 N ATOM 460 CA ARG A 158 -13.187 2.337 7.527 1.00 0.00 C ATOM 461 C ARG A 158 -13.136 2.192 6.010 1.00 0.00 C ATOM 462 O ARG A 158 -13.908 2.823 5.290 1.00 0.00 O ATOM 463 CB ARG A 158 -12.065 3.261 8.002 1.00 0.00 C ATOM 464 CG ARG A 158 -12.385 3.995 9.295 1.00 0.00 C ATOM 465 CD ARG A 158 -12.243 5.500 9.136 1.00 0.00 C ATOM 466 NE ARG A 158 -11.831 6.145 10.381 1.00 0.00 N ATOM 467 CZ ARG A 158 -11.971 7.448 10.624 1.00 0.00 C ATOM 468 NH1 ARG A 158 -12.510 8.246 9.710 1.00 0.00 N ATOM 469 NH2 ARG A 158 -11.571 7.952 11.781 1.00 0.00 N ATOM 0 H ARG A 158 -12.122 0.702 8.296 1.00 0.00 H new ATOM 0 HA ARG A 158 -14.148 2.774 7.799 1.00 0.00 H new ATOM 0 HB2 ARG A 158 -11.158 2.674 8.143 1.00 0.00 H new ATOM 0 HB3 ARG A 158 -11.854 3.992 7.222 1.00 0.00 H new ATOM 0 HG2 ARG A 158 -13.402 3.756 9.607 1.00 0.00 H new ATOM 0 HG3 ARG A 158 -11.719 3.648 10.085 1.00 0.00 H new ATOM 0 HD2 ARG A 158 -11.512 5.715 8.357 1.00 0.00 H new ATOM 0 HD3 ARG A 158 -13.193 5.921 8.806 1.00 0.00 H new ATOM 0 HE ARG A 158 -11.412 5.564 11.107 1.00 0.00 H new ATOM 0 HH11 ARG A 158 -12.819 7.863 8.817 1.00 0.00 H new ATOM 0 HH12 ARG A 158 -12.615 9.242 9.901 1.00 0.00 H new ATOM 0 HH21 ARG A 158 -11.156 7.343 12.486 1.00 0.00 H new ATOM 0 HH22 ARG A 158 -11.678 8.949 11.967 1.00 0.00 H new ATOM 483 N GLY A 159 -12.218 1.358 5.532 1.00 0.00 N ATOM 484 CA GLY A 159 -12.080 1.146 4.103 1.00 0.00 C ATOM 485 C GLY A 159 -10.987 2.002 3.495 1.00 0.00 C ATOM 486 O GLY A 159 -11.135 2.518 2.388 1.00 0.00 O ATOM 0 H GLY A 159 -11.567 0.825 6.109 1.00 0.00 H new ATOM 0 HA2 GLY A 159 -11.862 0.095 3.914 1.00 0.00 H new ATOM 0 HA3 GLY A 159 -13.027 1.369 3.612 1.00 0.00 H new ATOM 490 N LYS A 160 -9.887 2.155 4.225 1.00 0.00 N ATOM 491 CA LYS A 160 -8.761 2.955 3.755 1.00 0.00 C ATOM 492 C LYS A 160 -7.440 2.235 3.999 1.00 0.00 C ATOM 493 O LYS A 160 -7.407 1.163 4.601 1.00 0.00 O ATOM 494 CB LYS A 160 -8.751 4.316 4.456 1.00 0.00 C ATOM 495 CG LYS A 160 -10.030 5.113 4.259 1.00 0.00 C ATOM 496 CD LYS A 160 -10.392 5.906 5.506 1.00 0.00 C ATOM 497 CE LYS A 160 -10.776 7.337 5.165 1.00 0.00 C ATOM 498 NZ LYS A 160 -9.583 8.179 4.878 1.00 0.00 N ATOM 0 H LYS A 160 -9.751 1.735 5.145 1.00 0.00 H new ATOM 0 HA LYS A 160 -8.877 3.105 2.682 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -8.588 4.164 5.523 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -7.909 4.900 4.085 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -9.909 5.794 3.416 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -10.846 4.436 4.008 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -11.220 5.419 6.020 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -9.547 5.909 6.194 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -11.438 7.339 4.299 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -11.335 7.770 5.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -9.888 9.147 4.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -8.963 8.199 5.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -9.063 7.781 4.070 1.00 0.00 H new ATOM 512 N VAL A 161 -6.350 2.833 3.527 1.00 0.00 N ATOM 513 CA VAL A 161 -5.024 2.249 3.695 1.00 0.00 C ATOM 514 C VAL A 161 -4.007 3.310 4.100 1.00 0.00 C ATOM 515 O VAL A 161 -3.885 4.347 3.449 1.00 0.00 O ATOM 516 CB VAL A 161 -4.541 1.560 2.405 1.00 0.00 C ATOM 517 CG1 VAL A 161 -5.261 0.235 2.204 1.00 0.00 C ATOM 518 CG2 VAL A 161 -4.742 2.472 1.205 1.00 0.00 C ATOM 0 H VAL A 161 -6.359 3.721 3.026 1.00 0.00 H new ATOM 0 HA VAL A 161 -5.106 1.503 4.485 1.00 0.00 H new ATOM 0 HB VAL A 161 -3.475 1.356 2.502 1.00 0.00 H new ATOM 0 HG11 VAL A 161 -4.906 -0.237 1.288 1.00 0.00 H new ATOM 0 HG12 VAL A 161 -5.059 -0.421 3.051 1.00 0.00 H new ATOM 0 HG13 VAL A 161 -6.334 0.412 2.129 1.00 0.00 H new ATOM 0 HG21 VAL A 161 -4.395 1.968 0.303 1.00 0.00 H new ATOM 0 HG22 VAL A 161 -5.801 2.711 1.103 1.00 0.00 H new ATOM 0 HG23 VAL A 161 -4.175 3.392 1.348 1.00 0.00 H new ATOM 528 N LYS A 162 -3.280 3.044 5.179 1.00 0.00 N ATOM 529 CA LYS A 162 -2.274 3.977 5.671 1.00 0.00 C ATOM 530 C LYS A 162 -0.931 3.738 4.987 1.00 0.00 C ATOM 531 O LYS A 162 -0.291 2.710 5.202 1.00 0.00 O ATOM 532 CB LYS A 162 -2.120 3.844 7.186 1.00 0.00 C ATOM 533 CG LYS A 162 -1.286 4.949 7.809 1.00 0.00 C ATOM 534 CD LYS A 162 -1.431 4.972 9.323 1.00 0.00 C ATOM 535 CE LYS A 162 -0.099 5.227 10.007 1.00 0.00 C ATOM 536 NZ LYS A 162 -0.075 4.683 11.394 1.00 0.00 N ATOM 0 H LYS A 162 -3.369 2.190 5.730 1.00 0.00 H new ATOM 0 HA LYS A 162 -2.607 4.988 5.436 1.00 0.00 H new ATOM 0 HB2 LYS A 162 -3.109 3.843 7.645 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -1.662 2.882 7.414 1.00 0.00 H new ATOM 0 HG2 LYS A 162 -0.238 4.808 7.545 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -1.591 5.912 7.399 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -2.142 5.747 9.609 1.00 0.00 H new ATOM 0 HD3 LYS A 162 -1.840 4.021 9.665 1.00 0.00 H new ATOM 0 HE2 LYS A 162 0.702 4.772 9.424 1.00 0.00 H new ATOM 0 HE3 LYS A 162 0.096 6.299 10.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 0.850 4.877 11.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 -0.823 5.136 11.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 -0.236 3.656 11.367 1.00 0.00 H new ATOM 550 N VAL A 163 -0.514 4.693 4.164 1.00 0.00 N ATOM 551 CA VAL A 163 0.752 4.586 3.449 1.00 0.00 C ATOM 552 C VAL A 163 1.651 5.785 3.732 1.00 0.00 C ATOM 553 O VAL A 163 1.169 6.895 3.956 1.00 0.00 O ATOM 554 CB VAL A 163 0.529 4.473 1.928 1.00 0.00 C ATOM 555 CG1 VAL A 163 -0.237 3.203 1.593 1.00 0.00 C ATOM 556 CG2 VAL A 163 -0.200 5.699 1.402 1.00 0.00 C ATOM 0 H VAL A 163 -1.034 5.550 3.975 1.00 0.00 H new ATOM 0 HA VAL A 163 1.240 3.680 3.807 1.00 0.00 H new ATOM 0 HB VAL A 163 1.502 4.421 1.440 1.00 0.00 H new ATOM 0 HG11 VAL A 163 -0.385 3.141 0.515 1.00 0.00 H new ATOM 0 HG12 VAL A 163 0.330 2.336 1.932 1.00 0.00 H new ATOM 0 HG13 VAL A 163 -1.206 3.220 2.092 1.00 0.00 H new ATOM 0 HG21 VAL A 163 -0.348 5.601 0.327 1.00 0.00 H new ATOM 0 HG22 VAL A 163 -1.168 5.786 1.895 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.393 6.590 1.607 1.00 0.00 H new ATOM 566 N MET A 164 2.959 5.554 3.716 1.00 0.00 N ATOM 567 CA MET A 164 3.926 6.614 3.970 1.00 0.00 C ATOM 568 C MET A 164 4.544 7.110 2.664 1.00 0.00 C ATOM 569 O MET A 164 5.167 6.341 1.931 1.00 0.00 O ATOM 570 CB MET A 164 5.021 6.119 4.921 1.00 0.00 C ATOM 571 CG MET A 164 6.041 5.202 4.263 1.00 0.00 C ATOM 572 SD MET A 164 7.139 4.414 5.455 1.00 0.00 S ATOM 573 CE MET A 164 8.518 5.556 5.450 1.00 0.00 C ATOM 0 H MET A 164 3.374 4.641 3.530 1.00 0.00 H new ATOM 0 HA MET A 164 3.403 7.447 4.439 1.00 0.00 H new ATOM 0 HB2 MET A 164 5.540 6.980 5.342 1.00 0.00 H new ATOM 0 HB3 MET A 164 4.555 5.590 5.752 1.00 0.00 H new ATOM 0 HG2 MET A 164 5.518 4.434 3.693 1.00 0.00 H new ATOM 0 HG3 MET A 164 6.635 5.777 3.553 1.00 0.00 H new ATOM 0 HE1 MET A 164 9.284 5.205 6.142 1.00 0.00 H new ATOM 0 HE2 MET A 164 8.937 5.617 4.445 1.00 0.00 H new ATOM 0 HE3 MET A 164 8.174 6.543 5.760 1.00 0.00 H new ATOM 583 N VAL A 165 4.367 8.395 2.378 1.00 0.00 N ATOM 584 CA VAL A 165 4.908 8.987 1.161 1.00 0.00 C ATOM 585 C VAL A 165 5.799 10.182 1.478 1.00 0.00 C ATOM 586 O VAL A 165 5.461 11.018 2.317 1.00 0.00 O ATOM 587 CB VAL A 165 3.785 9.440 0.208 1.00 0.00 C ATOM 588 CG1 VAL A 165 3.039 8.237 -0.349 1.00 0.00 C ATOM 589 CG2 VAL A 165 2.831 10.390 0.918 1.00 0.00 C ATOM 0 H VAL A 165 3.853 9.046 2.972 1.00 0.00 H new ATOM 0 HA VAL A 165 5.501 8.214 0.672 1.00 0.00 H new ATOM 0 HB VAL A 165 4.236 9.975 -0.627 1.00 0.00 H new ATOM 0 HG11 VAL A 165 2.250 8.577 -1.020 1.00 0.00 H new ATOM 0 HG12 VAL A 165 3.733 7.601 -0.898 1.00 0.00 H new ATOM 0 HG13 VAL A 165 2.599 7.670 0.471 1.00 0.00 H new ATOM 0 HG21 VAL A 165 2.045 10.699 0.229 1.00 0.00 H new ATOM 0 HG22 VAL A 165 2.385 9.885 1.774 1.00 0.00 H new ATOM 0 HG23 VAL A 165 3.379 11.268 1.260 1.00 0.00 H new ATOM 599 N THR A 166 6.941 10.257 0.799 1.00 0.00 N ATOM 600 CA THR A 166 7.882 11.351 1.004 1.00 0.00 C ATOM 601 C THR A 166 7.664 12.452 -0.027 1.00 0.00 C ATOM 602 O THR A 166 7.369 12.177 -1.189 1.00 0.00 O ATOM 603 CB THR A 166 9.320 10.835 0.924 1.00 0.00 C ATOM 604 OG1 THR A 166 9.433 9.568 1.546 1.00 0.00 O ATOM 605 CG2 THR A 166 10.324 11.759 1.577 1.00 0.00 C ATOM 0 H THR A 166 7.236 9.572 0.103 1.00 0.00 H new ATOM 0 HA THR A 166 7.709 11.768 1.996 1.00 0.00 H new ATOM 0 HB THR A 166 9.546 10.774 -0.140 1.00 0.00 H new ATOM 0 HG1 THR A 166 10.359 9.254 1.483 1.00 0.00 H new ATOM 0 HG21 THR A 166 11.323 11.334 1.485 1.00 0.00 H new ATOM 0 HG22 THR A 166 10.297 12.732 1.086 1.00 0.00 H new ATOM 0 HG23 THR A 166 10.076 11.878 2.632 1.00 0.00 H new ATOM 613 N ILE A 167 7.811 13.700 0.405 1.00 0.00 N ATOM 614 CA ILE A 167 7.628 14.842 -0.484 1.00 0.00 C ATOM 615 C ILE A 167 8.926 15.635 -0.629 1.00 0.00 C ATOM 616 O ILE A 167 8.923 16.867 -0.624 1.00 0.00 O ATOM 617 CB ILE A 167 6.498 15.766 0.021 1.00 0.00 C ATOM 618 CG1 ILE A 167 6.137 16.806 -1.044 1.00 0.00 C ATOM 619 CG2 ILE A 167 6.890 16.442 1.328 1.00 0.00 C ATOM 620 CD1 ILE A 167 5.138 16.303 -2.062 1.00 0.00 C ATOM 0 H ILE A 167 8.056 13.946 1.364 1.00 0.00 H new ATOM 0 HA ILE A 167 7.345 14.453 -1.462 1.00 0.00 H new ATOM 0 HB ILE A 167 5.617 15.153 0.213 1.00 0.00 H new ATOM 0 HG12 ILE A 167 5.731 17.691 -0.554 1.00 0.00 H new ATOM 0 HG13 ILE A 167 7.045 17.117 -1.560 1.00 0.00 H new ATOM 0 HG21 ILE A 167 6.077 17.087 1.662 1.00 0.00 H new ATOM 0 HG22 ILE A 167 7.086 15.683 2.086 1.00 0.00 H new ATOM 0 HG23 ILE A 167 7.788 17.040 1.173 1.00 0.00 H new ATOM 0 HD11 ILE A 167 4.928 17.091 -2.786 1.00 0.00 H new ATOM 0 HD12 ILE A 167 5.550 15.436 -2.579 1.00 0.00 H new ATOM 0 HD13 ILE A 167 4.215 16.019 -1.557 1.00 0.00 H new ATOM 632 N PHE A 168 10.037 14.916 -0.764 1.00 0.00 N ATOM 633 CA PHE A 168 11.344 15.545 -0.914 1.00 0.00 C ATOM 634 C PHE A 168 11.713 16.336 0.338 1.00 0.00 C ATOM 635 O PHE A 168 11.265 17.467 0.525 1.00 0.00 O ATOM 636 CB PHE A 168 11.357 16.464 -2.138 1.00 0.00 C ATOM 637 CG PHE A 168 12.614 16.357 -2.954 1.00 0.00 C ATOM 638 CD1 PHE A 168 13.772 17.005 -2.553 1.00 0.00 C ATOM 639 CD2 PHE A 168 12.637 15.609 -4.119 1.00 0.00 C ATOM 640 CE1 PHE A 168 14.930 16.907 -3.301 1.00 0.00 C ATOM 641 CE2 PHE A 168 13.792 15.509 -4.872 1.00 0.00 C ATOM 642 CZ PHE A 168 14.940 16.159 -4.462 1.00 0.00 C ATOM 0 H PHE A 168 10.057 13.896 -0.772 1.00 0.00 H new ATOM 0 HA PHE A 168 12.084 14.757 -1.056 1.00 0.00 H new ATOM 0 HB2 PHE A 168 10.501 16.226 -2.770 1.00 0.00 H new ATOM 0 HB3 PHE A 168 11.233 17.496 -1.809 1.00 0.00 H new ATOM 0 HD1 PHE A 168 13.769 17.592 -1.647 1.00 0.00 H new ATOM 0 HD2 PHE A 168 11.742 15.098 -4.443 1.00 0.00 H new ATOM 0 HE1 PHE A 168 15.827 17.415 -2.978 1.00 0.00 H new ATOM 0 HE2 PHE A 168 13.797 14.924 -5.780 1.00 0.00 H new ATOM 0 HZ PHE A 168 15.844 16.082 -5.048 1.00 0.00 H new ATOM 652 N GLY A 169 12.532 15.732 1.191 1.00 0.00 N ATOM 653 CA GLY A 169 12.949 16.391 2.415 1.00 0.00 C ATOM 654 C GLY A 169 12.670 15.554 3.646 1.00 0.00 C ATOM 655 O GLY A 169 13.545 15.373 4.494 1.00 0.00 O ATOM 0 H GLY A 169 12.915 14.796 1.057 1.00 0.00 H new ATOM 0 HA2 GLY A 169 14.016 16.609 2.362 1.00 0.00 H new ATOM 0 HA3 GLY A 169 12.432 17.347 2.504 1.00 0.00 H new ATOM 659 N ARG A 170 11.449 15.040 3.747 1.00 0.00 N ATOM 660 CA ARG A 170 11.058 14.216 4.884 1.00 0.00 C ATOM 661 C ARG A 170 9.835 13.369 4.547 1.00 0.00 C ATOM 662 O ARG A 170 9.094 13.674 3.612 1.00 0.00 O ATOM 663 CB ARG A 170 10.764 15.096 6.101 1.00 0.00 C ATOM 664 CG ARG A 170 9.859 16.278 5.793 1.00 0.00 C ATOM 665 CD ARG A 170 9.242 16.851 7.059 1.00 0.00 C ATOM 666 NE ARG A 170 8.020 17.602 6.781 1.00 0.00 N ATOM 667 CZ ARG A 170 7.483 18.481 7.624 1.00 0.00 C ATOM 668 NH1 ARG A 170 8.056 18.723 8.797 1.00 0.00 N ATOM 669 NH2 ARG A 170 6.370 19.121 7.293 1.00 0.00 N ATOM 0 H ARG A 170 10.713 15.180 3.055 1.00 0.00 H new ATOM 0 HA ARG A 170 11.887 13.548 5.119 1.00 0.00 H new ATOM 0 HB2 ARG A 170 10.300 14.486 6.876 1.00 0.00 H new ATOM 0 HB3 ARG A 170 11.705 15.466 6.507 1.00 0.00 H new ATOM 0 HG2 ARG A 170 10.431 17.053 5.283 1.00 0.00 H new ATOM 0 HG3 ARG A 170 9.068 15.965 5.111 1.00 0.00 H new ATOM 0 HD2 ARG A 170 9.019 16.040 7.753 1.00 0.00 H new ATOM 0 HD3 ARG A 170 9.964 17.503 7.551 1.00 0.00 H new ATOM 0 HE ARG A 170 7.551 17.444 5.889 1.00 0.00 H new ATOM 0 HH11 ARG A 170 8.913 18.234 9.057 1.00 0.00 H new ATOM 0 HH12 ARG A 170 7.639 19.398 9.439 1.00 0.00 H new ATOM 0 HH21 ARG A 170 5.926 18.940 6.393 1.00 0.00 H new ATOM 0 HH22 ARG A 170 5.958 19.795 7.939 1.00 0.00 H new ATOM 683 N GLU A 171 9.629 12.304 5.315 1.00 0.00 N ATOM 684 CA GLU A 171 8.496 11.412 5.098 1.00 0.00 C ATOM 685 C GLU A 171 7.180 12.125 5.394 1.00 0.00 C ATOM 686 O GLU A 171 7.168 13.200 5.995 1.00 0.00 O ATOM 687 CB GLU A 171 8.624 10.167 5.976 1.00 0.00 C ATOM 688 CG GLU A 171 8.729 10.476 7.460 1.00 0.00 C ATOM 689 CD GLU A 171 9.593 9.477 8.203 1.00 0.00 C ATOM 690 OE1 GLU A 171 10.763 9.295 7.809 1.00 0.00 O ATOM 691 OE2 GLU A 171 9.098 8.876 9.180 1.00 0.00 O ATOM 0 H GLU A 171 10.232 12.038 6.093 1.00 0.00 H new ATOM 0 HA GLU A 171 8.498 11.110 4.051 1.00 0.00 H new ATOM 0 HB2 GLU A 171 7.760 9.524 5.808 1.00 0.00 H new ATOM 0 HB3 GLU A 171 9.505 9.604 5.668 1.00 0.00 H new ATOM 0 HG2 GLU A 171 9.142 11.476 7.591 1.00 0.00 H new ATOM 0 HG3 GLU A 171 7.731 10.484 7.897 1.00 0.00 H new ATOM 698 N THR A 172 6.076 11.521 4.968 1.00 0.00 N ATOM 699 CA THR A 172 4.756 12.099 5.188 1.00 0.00 C ATOM 700 C THR A 172 3.680 11.016 5.197 1.00 0.00 C ATOM 701 O THR A 172 3.113 10.686 4.157 1.00 0.00 O ATOM 702 CB THR A 172 4.444 13.135 4.106 1.00 0.00 C ATOM 703 OG1 THR A 172 5.638 13.711 3.606 1.00 0.00 O ATOM 704 CG2 THR A 172 3.559 14.261 4.593 1.00 0.00 C ATOM 0 H THR A 172 6.069 10.632 4.469 1.00 0.00 H new ATOM 0 HA THR A 172 4.760 12.589 6.162 1.00 0.00 H new ATOM 0 HB THR A 172 3.912 12.589 3.327 1.00 0.00 H new ATOM 0 HG1 THR A 172 6.062 13.090 2.978 1.00 0.00 H new ATOM 0 HG21 THR A 172 3.377 14.960 3.777 1.00 0.00 H new ATOM 0 HG22 THR A 172 2.610 13.853 4.940 1.00 0.00 H new ATOM 0 HG23 THR A 172 4.052 14.782 5.414 1.00 0.00 H new ATOM 712 N PRO A 173 3.383 10.448 6.379 1.00 0.00 N ATOM 713 CA PRO A 173 2.368 9.399 6.516 1.00 0.00 C ATOM 714 C PRO A 173 0.958 9.924 6.269 1.00 0.00 C ATOM 715 O PRO A 173 0.366 10.572 7.132 1.00 0.00 O ATOM 716 CB PRO A 173 2.521 8.937 7.968 1.00 0.00 C ATOM 717 CG PRO A 173 3.120 10.103 8.676 1.00 0.00 C ATOM 718 CD PRO A 173 4.010 10.782 7.671 1.00 0.00 C ATOM 0 HA PRO A 173 2.508 8.601 5.787 1.00 0.00 H new ATOM 0 HB2 PRO A 173 1.558 8.664 8.400 1.00 0.00 H new ATOM 0 HB3 PRO A 173 3.163 8.059 8.038 1.00 0.00 H new ATOM 0 HG2 PRO A 173 2.346 10.782 9.034 1.00 0.00 H new ATOM 0 HG3 PRO A 173 3.690 9.780 9.547 1.00 0.00 H new ATOM 0 HD2 PRO A 173 4.049 11.859 7.832 1.00 0.00 H new ATOM 0 HD3 PRO A 173 5.034 10.414 7.728 1.00 0.00 H new ATOM 726 N VAL A 174 0.426 9.639 5.085 1.00 0.00 N ATOM 727 CA VAL A 174 -0.914 10.082 4.722 1.00 0.00 C ATOM 728 C VAL A 174 -1.826 8.894 4.433 1.00 0.00 C ATOM 729 O VAL A 174 -1.420 7.935 3.779 1.00 0.00 O ATOM 730 CB VAL A 174 -0.890 11.006 3.489 1.00 0.00 C ATOM 731 CG1 VAL A 174 -0.104 12.273 3.783 1.00 0.00 C ATOM 732 CG2 VAL A 174 -0.308 10.278 2.286 1.00 0.00 C ATOM 0 H VAL A 174 0.903 9.103 4.360 1.00 0.00 H new ATOM 0 HA VAL A 174 -1.302 10.639 5.575 1.00 0.00 H new ATOM 0 HB VAL A 174 -1.916 11.289 3.253 1.00 0.00 H new ATOM 0 HG11 VAL A 174 -0.099 12.911 2.900 1.00 0.00 H new ATOM 0 HG12 VAL A 174 -0.569 12.805 4.613 1.00 0.00 H new ATOM 0 HG13 VAL A 174 0.921 12.012 4.048 1.00 0.00 H new ATOM 0 HG21 VAL A 174 -0.299 10.947 1.425 1.00 0.00 H new ATOM 0 HG22 VAL A 174 0.711 9.962 2.510 1.00 0.00 H new ATOM 0 HG23 VAL A 174 -0.918 9.403 2.060 1.00 0.00 H new ATOM 742 N GLU A 175 -3.061 8.969 4.918 1.00 0.00 N ATOM 743 CA GLU A 175 -4.030 7.901 4.701 1.00 0.00 C ATOM 744 C GLU A 175 -4.639 8.008 3.308 1.00 0.00 C ATOM 745 O GLU A 175 -5.237 9.026 2.959 1.00 0.00 O ATOM 746 CB GLU A 175 -5.130 7.956 5.762 1.00 0.00 C ATOM 747 CG GLU A 175 -5.944 9.239 5.728 1.00 0.00 C ATOM 748 CD GLU A 175 -6.547 9.585 7.075 1.00 0.00 C ATOM 749 OE1 GLU A 175 -7.166 8.695 7.694 1.00 0.00 O ATOM 750 OE2 GLU A 175 -6.400 10.746 7.511 1.00 0.00 O ATOM 0 H GLU A 175 -3.414 9.756 5.463 1.00 0.00 H new ATOM 0 HA GLU A 175 -3.512 6.945 4.782 1.00 0.00 H new ATOM 0 HB2 GLU A 175 -5.799 7.107 5.624 1.00 0.00 H new ATOM 0 HB3 GLU A 175 -4.678 7.848 6.748 1.00 0.00 H new ATOM 0 HG2 GLU A 175 -5.307 10.060 5.398 1.00 0.00 H new ATOM 0 HG3 GLU A 175 -6.742 9.139 4.992 1.00 0.00 H new ATOM 757 N LEU A 176 -4.474 6.958 2.514 1.00 0.00 N ATOM 758 CA LEU A 176 -4.998 6.941 1.152 1.00 0.00 C ATOM 759 C LEU A 176 -5.906 5.750 0.921 1.00 0.00 C ATOM 760 O LEU A 176 -6.242 5.012 1.847 1.00 0.00 O ATOM 761 CB LEU A 176 -3.855 6.863 0.141 1.00 0.00 C ATOM 762 CG LEU A 176 -3.413 8.202 -0.453 1.00 0.00 C ATOM 763 CD1 LEU A 176 -2.364 7.984 -1.533 1.00 0.00 C ATOM 764 CD2 LEU A 176 -4.608 8.962 -1.012 1.00 0.00 C ATOM 0 H LEU A 176 -3.982 6.107 2.788 1.00 0.00 H new ATOM 0 HA LEU A 176 -5.565 7.862 1.019 1.00 0.00 H new ATOM 0 HB2 LEU A 176 -2.996 6.398 0.624 1.00 0.00 H new ATOM 0 HB3 LEU A 176 -4.157 6.205 -0.674 1.00 0.00 H new ATOM 0 HG LEU A 176 -2.970 8.801 0.342 1.00 0.00 H new ATOM 0 HD11 LEU A 176 -2.061 8.946 -1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 176 -1.497 7.484 -1.102 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -2.782 7.365 -2.327 1.00 0.00 H new ATOM 0 HD21 LEU A 176 -4.272 9.911 -1.430 1.00 0.00 H new ATOM 0 HD22 LEU A 176 -5.083 8.369 -1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 176 -5.325 9.150 -0.213 1.00 0.00 H new ATOM 776 N ASP A 177 -6.264 5.555 -0.340 1.00 0.00 N ATOM 777 CA ASP A 177 -7.093 4.440 -0.726 1.00 0.00 C ATOM 778 C ASP A 177 -6.652 3.901 -2.080 1.00 0.00 C ATOM 779 O ASP A 177 -6.045 4.613 -2.877 1.00 0.00 O ATOM 780 CB ASP A 177 -8.569 4.837 -0.763 1.00 0.00 C ATOM 781 CG ASP A 177 -8.967 5.716 0.406 1.00 0.00 C ATOM 782 OD1 ASP A 177 -8.780 5.284 1.564 1.00 0.00 O ATOM 783 OD2 ASP A 177 -9.462 6.838 0.166 1.00 0.00 O ATOM 0 H ASP A 177 -5.988 6.162 -1.111 1.00 0.00 H new ATOM 0 HA ASP A 177 -6.976 3.655 0.021 1.00 0.00 H new ATOM 0 HB2 ASP A 177 -8.776 5.363 -1.695 1.00 0.00 H new ATOM 0 HB3 ASP A 177 -9.183 3.937 -0.761 1.00 0.00 H new ATOM 788 N PHE A 178 -6.952 2.634 -2.324 1.00 0.00 N ATOM 789 CA PHE A 178 -6.585 1.977 -3.578 1.00 0.00 C ATOM 790 C PHE A 178 -6.972 2.825 -4.789 1.00 0.00 C ATOM 791 O PHE A 178 -6.310 2.778 -5.826 1.00 0.00 O ATOM 792 CB PHE A 178 -7.256 0.605 -3.671 1.00 0.00 C ATOM 793 CG PHE A 178 -7.118 -0.218 -2.422 1.00 0.00 C ATOM 794 CD1 PHE A 178 -5.899 -0.313 -1.769 1.00 0.00 C ATOM 795 CD2 PHE A 178 -8.208 -0.896 -1.902 1.00 0.00 C ATOM 796 CE1 PHE A 178 -5.772 -1.070 -0.620 1.00 0.00 C ATOM 797 CE2 PHE A 178 -8.087 -1.655 -0.753 1.00 0.00 C ATOM 798 CZ PHE A 178 -6.866 -1.741 -0.111 1.00 0.00 C ATOM 0 H PHE A 178 -7.452 2.034 -1.668 1.00 0.00 H new ATOM 0 HA PHE A 178 -5.502 1.854 -3.583 1.00 0.00 H new ATOM 0 HB2 PHE A 178 -8.315 0.742 -3.891 1.00 0.00 H new ATOM 0 HB3 PHE A 178 -6.825 0.055 -4.508 1.00 0.00 H new ATOM 0 HD1 PHE A 178 -5.040 0.210 -2.162 1.00 0.00 H new ATOM 0 HD2 PHE A 178 -9.164 -0.831 -2.400 1.00 0.00 H new ATOM 0 HE1 PHE A 178 -4.817 -1.137 -0.120 1.00 0.00 H new ATOM 0 HE2 PHE A 178 -8.944 -2.180 -0.358 1.00 0.00 H new ATOM 0 HZ PHE A 178 -6.768 -2.332 0.787 1.00 0.00 H new ATOM 808 N SER A 179 -8.045 3.597 -4.652 1.00 0.00 N ATOM 809 CA SER A 179 -8.514 4.454 -5.739 1.00 0.00 C ATOM 810 C SER A 179 -7.696 5.743 -5.828 1.00 0.00 C ATOM 811 O SER A 179 -7.946 6.585 -6.691 1.00 0.00 O ATOM 812 CB SER A 179 -9.993 4.790 -5.544 1.00 0.00 C ATOM 813 OG SER A 179 -10.654 4.925 -6.790 1.00 0.00 O ATOM 0 H SER A 179 -8.606 3.648 -3.802 1.00 0.00 H new ATOM 0 HA SER A 179 -8.386 3.907 -6.673 1.00 0.00 H new ATOM 0 HB2 SER A 179 -10.473 4.007 -4.957 1.00 0.00 H new ATOM 0 HB3 SER A 179 -10.087 5.716 -4.977 1.00 0.00 H new ATOM 0 HG SER A 179 -11.598 5.138 -6.638 1.00 0.00 H new ATOM 819 N GLN A 180 -6.721 5.893 -4.935 1.00 0.00 N ATOM 820 CA GLN A 180 -5.873 7.078 -4.917 1.00 0.00 C ATOM 821 C GLN A 180 -4.402 6.713 -5.133 1.00 0.00 C ATOM 822 O GLN A 180 -3.524 7.572 -5.049 1.00 0.00 O ATOM 823 CB GLN A 180 -6.032 7.815 -3.585 1.00 0.00 C ATOM 824 CG GLN A 180 -7.210 8.776 -3.560 1.00 0.00 C ATOM 825 CD GLN A 180 -7.108 9.794 -2.442 1.00 0.00 C ATOM 826 OE1 GLN A 180 -7.308 9.469 -1.270 1.00 0.00 O ATOM 827 NE2 GLN A 180 -6.799 11.035 -2.798 1.00 0.00 N ATOM 0 H GLN A 180 -6.500 5.206 -4.214 1.00 0.00 H new ATOM 0 HA GLN A 180 -6.187 7.728 -5.734 1.00 0.00 H new ATOM 0 HB2 GLN A 180 -6.153 7.083 -2.786 1.00 0.00 H new ATOM 0 HB3 GLN A 180 -5.117 8.369 -3.374 1.00 0.00 H new ATOM 0 HG2 GLN A 180 -7.270 9.296 -4.516 1.00 0.00 H new ATOM 0 HG3 GLN A 180 -8.134 8.209 -3.447 1.00 0.00 H new ATOM 0 HE21 GLN A 180 -6.642 11.260 -3.780 1.00 0.00 H new ATOM 0 HE22 GLN A 180 -6.719 11.764 -2.089 1.00 0.00 H new ATOM 836 N VAL A 181 -4.139 5.438 -5.411 1.00 0.00 N ATOM 837 CA VAL A 181 -2.775 4.973 -5.637 1.00 0.00 C ATOM 838 C VAL A 181 -2.730 3.901 -6.720 1.00 0.00 C ATOM 839 O VAL A 181 -3.760 3.524 -7.279 1.00 0.00 O ATOM 840 CB VAL A 181 -2.156 4.406 -4.345 1.00 0.00 C ATOM 841 CG1 VAL A 181 -1.777 5.531 -3.395 1.00 0.00 C ATOM 842 CG2 VAL A 181 -3.113 3.431 -3.676 1.00 0.00 C ATOM 0 H VAL A 181 -4.851 4.711 -5.485 1.00 0.00 H new ATOM 0 HA VAL A 181 -2.196 5.837 -5.962 1.00 0.00 H new ATOM 0 HB VAL A 181 -1.248 3.863 -4.608 1.00 0.00 H new ATOM 0 HG11 VAL A 181 -1.342 5.111 -2.488 1.00 0.00 H new ATOM 0 HG12 VAL A 181 -1.050 6.185 -3.877 1.00 0.00 H new ATOM 0 HG13 VAL A 181 -2.667 6.105 -3.137 1.00 0.00 H new ATOM 0 HG21 VAL A 181 -2.658 3.041 -2.765 1.00 0.00 H new ATOM 0 HG22 VAL A 181 -4.041 3.945 -3.426 1.00 0.00 H new ATOM 0 HG23 VAL A 181 -3.327 2.607 -4.356 1.00 0.00 H new ATOM 852 N VAL A 182 -1.528 3.412 -7.009 1.00 0.00 N ATOM 853 CA VAL A 182 -1.345 2.382 -8.024 1.00 0.00 C ATOM 854 C VAL A 182 -0.110 1.538 -7.730 1.00 0.00 C ATOM 855 O VAL A 182 0.882 2.037 -7.197 1.00 0.00 O ATOM 856 CB VAL A 182 -1.212 2.996 -9.431 1.00 0.00 C ATOM 857 CG1 VAL A 182 -2.518 3.649 -9.855 1.00 0.00 C ATOM 858 CG2 VAL A 182 -0.068 3.997 -9.469 1.00 0.00 C ATOM 0 H VAL A 182 -0.666 3.713 -6.554 1.00 0.00 H new ATOM 0 HA VAL A 182 -2.231 1.748 -7.997 1.00 0.00 H new ATOM 0 HB VAL A 182 -0.988 2.197 -10.138 1.00 0.00 H new ATOM 0 HG11 VAL A 182 -2.404 4.077 -10.851 1.00 0.00 H new ATOM 0 HG12 VAL A 182 -3.311 2.901 -9.870 1.00 0.00 H new ATOM 0 HG13 VAL A 182 -2.777 4.438 -9.149 1.00 0.00 H new ATOM 0 HG21 VAL A 182 0.012 4.421 -10.470 1.00 0.00 H new ATOM 0 HG22 VAL A 182 -0.259 4.795 -8.751 1.00 0.00 H new ATOM 0 HG23 VAL A 182 0.864 3.494 -9.213 1.00 0.00 H new ATOM 868 N LYS A 183 -0.176 0.258 -8.079 1.00 0.00 N ATOM 869 CA LYS A 183 0.939 -0.655 -7.851 1.00 0.00 C ATOM 870 C LYS A 183 2.163 -0.231 -8.656 1.00 0.00 C ATOM 871 O LYS A 183 2.091 -0.060 -9.873 1.00 0.00 O ATOM 872 CB LYS A 183 0.539 -2.084 -8.223 1.00 0.00 C ATOM 873 CG LYS A 183 1.352 -3.150 -7.503 1.00 0.00 C ATOM 874 CD LYS A 183 2.500 -3.655 -8.366 1.00 0.00 C ATOM 875 CE LYS A 183 3.833 -3.538 -7.644 1.00 0.00 C ATOM 876 NZ LYS A 183 3.963 -4.543 -6.553 1.00 0.00 N ATOM 0 H LYS A 183 -0.989 -0.171 -8.521 1.00 0.00 H new ATOM 0 HA LYS A 183 1.194 -0.620 -6.792 1.00 0.00 H new ATOM 0 HB2 LYS A 183 -0.517 -2.228 -7.995 1.00 0.00 H new ATOM 0 HB3 LYS A 183 0.653 -2.216 -9.299 1.00 0.00 H new ATOM 0 HG2 LYS A 183 1.747 -2.741 -6.573 1.00 0.00 H new ATOM 0 HG3 LYS A 183 0.703 -3.984 -7.234 1.00 0.00 H new ATOM 0 HD2 LYS A 183 2.322 -4.696 -8.637 1.00 0.00 H new ATOM 0 HD3 LYS A 183 2.537 -3.085 -9.294 1.00 0.00 H new ATOM 0 HE2 LYS A 183 4.646 -3.670 -8.358 1.00 0.00 H new ATOM 0 HE3 LYS A 183 3.934 -2.535 -7.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 4.885 -4.430 -6.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 3.203 -4.401 -5.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 3.892 -5.500 -6.953 1.00 0.00 H new ATOM 890 N ALA A 184 3.287 -0.065 -7.966 1.00 0.00 N ATOM 891 CA ALA A 184 4.528 0.340 -8.616 1.00 0.00 C ATOM 892 C ALA A 184 5.479 -0.844 -8.765 1.00 0.00 C ATOM 893 O ALA A 184 6.091 -1.240 -7.752 1.00 0.00 O ATOM 894 CB ALA A 184 5.194 1.458 -7.828 1.00 0.00 C ATOM 895 OXT ALA A 184 5.603 -1.362 -9.895 1.00 0.00 O ATOM 0 H ALA A 184 3.364 -0.204 -6.959 1.00 0.00 H new ATOM 0 HA ALA A 184 4.286 0.707 -9.613 1.00 0.00 H new ATOM 0 HB1 ALA A 184 6.119 1.751 -8.324 1.00 0.00 H new ATOM 0 HB2 ALA A 184 4.523 2.315 -7.775 1.00 0.00 H new ATOM 0 HB3 ALA A 184 5.417 1.109 -6.820 1.00 0.00 H new