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 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0225) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 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 X(o=0,f=0) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 130 -5.377 2.987 -4.926 1.00 0.00 N ATOM 82 CA ILE A 130 -6.153 3.249 -3.723 1.00 0.00 C ATOM 83 C ILE A 130 -5.328 2.940 -2.481 1.00 0.00 C ATOM 84 O ILE A 130 -5.004 1.784 -2.208 1.00 0.00 O ATOM 85 CB ILE A 130 -7.453 2.420 -3.692 1.00 0.00 C ATOM 86 CG1 ILE A 130 -8.266 2.677 -4.960 1.00 0.00 C ATOM 87 CG2 ILE A 130 -8.274 2.754 -2.452 1.00 0.00 C ATOM 88 CD1 ILE A 130 -8.136 1.582 -5.995 1.00 0.00 C ATOM 0 HA ILE A 130 -6.419 4.306 -3.733 1.00 0.00 H new ATOM 0 HB ILE A 130 -7.193 1.362 -3.650 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -9.316 2.789 -4.692 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -7.947 3.622 -5.401 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -9.187 2.159 -2.449 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -7.691 2.529 -1.559 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -8.532 3.813 -2.461 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -8.740 1.832 -6.867 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -7.092 1.485 -6.292 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -8.482 0.639 -5.572 1.00 0.00 H new ATOM 100 N ALA A 131 -4.985 3.982 -1.737 1.00 0.00 N ATOM 101 CA ALA A 131 -4.189 3.822 -0.527 1.00 0.00 C ATOM 102 C ALA A 131 -4.308 5.040 0.380 1.00 0.00 C ATOM 103 O ALA A 131 -4.510 6.160 -0.089 1.00 0.00 O ATOM 104 CB ALA A 131 -2.732 3.573 -0.886 1.00 0.00 C ATOM 0 H ALA A 131 -5.244 4.945 -1.949 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.574 2.960 0.017 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.147 3.455 0.026 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -2.655 2.666 -1.486 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.348 4.419 -1.456 1.00 0.00 H new ATOM 110 N MET A 132 -4.175 4.812 1.682 1.00 0.00 N ATOM 111 CA MET A 132 -4.261 5.887 2.660 1.00 0.00 C ATOM 112 C MET A 132 -3.184 6.939 2.405 1.00 0.00 C ATOM 113 O MET A 132 -2.179 6.665 1.749 1.00 0.00 O ATOM 114 CB MET A 132 -4.119 5.321 4.074 1.00 0.00 C ATOM 115 CG MET A 132 -5.438 5.217 4.820 1.00 0.00 C ATOM 116 SD MET A 132 -5.363 4.070 6.209 1.00 0.00 S ATOM 117 CE MET A 132 -5.590 5.192 7.587 1.00 0.00 C ATOM 0 H MET A 132 -4.007 3.890 2.084 1.00 0.00 H new ATOM 0 HA MET A 132 -5.236 6.364 2.563 1.00 0.00 H new ATOM 0 HB2 MET A 132 -3.664 4.332 4.017 1.00 0.00 H new ATOM 0 HB3 MET A 132 -3.438 5.953 4.643 1.00 0.00 H new ATOM 0 HG2 MET A 132 -5.724 6.204 5.184 1.00 0.00 H new ATOM 0 HG3 MET A 132 -6.217 4.894 4.129 1.00 0.00 H new ATOM 0 HE1 MET A 132 -5.568 4.630 8.521 1.00 0.00 H new ATOM 0 HE2 MET A 132 -4.790 5.932 7.589 1.00 0.00 H new ATOM 0 HE3 MET A 132 -6.551 5.697 7.490 1.00 0.00 H new ATOM 127 N PRO A 133 -3.378 8.163 2.926 1.00 0.00 N ATOM 128 CA PRO A 133 -2.417 9.256 2.752 1.00 0.00 C ATOM 129 C PRO A 133 -1.049 8.918 3.337 1.00 0.00 C ATOM 130 O PRO A 133 -0.028 9.446 2.898 1.00 0.00 O ATOM 131 CB PRO A 133 -3.050 10.428 3.512 1.00 0.00 C ATOM 132 CG PRO A 133 -4.048 9.807 4.428 1.00 0.00 C ATOM 133 CD PRO A 133 -4.543 8.577 3.724 1.00 0.00 C ATOM 0 HA PRO A 133 -2.236 9.470 1.699 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -2.299 10.987 4.069 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -3.527 11.129 2.827 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -3.594 9.553 5.386 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -4.868 10.494 4.636 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -4.846 7.803 4.429 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -5.407 8.792 3.096 1.00 0.00 H new ATOM 141 N SER A 134 -1.039 8.034 4.330 1.00 0.00 N ATOM 142 CA SER A 134 0.202 7.625 4.975 1.00 0.00 C ATOM 143 C SER A 134 0.799 6.398 4.292 1.00 0.00 C ATOM 144 O SER A 134 2.015 6.208 4.288 1.00 0.00 O ATOM 145 CB SER A 134 -0.042 7.329 6.455 1.00 0.00 C ATOM 146 OG SER A 134 -1.117 6.421 6.623 1.00 0.00 O ATOM 0 H SER A 134 -1.876 7.588 4.705 1.00 0.00 H new ATOM 0 HA SER A 134 0.913 8.447 4.886 1.00 0.00 H new ATOM 0 HB2 SER A 134 0.862 6.913 6.900 1.00 0.00 H new ATOM 0 HB3 SER A 134 -0.260 8.257 6.984 1.00 0.00 H new ATOM 0 HG SER A 134 -1.252 6.247 7.578 1.00 0.00 H new ATOM 152 N VAL A 135 -0.064 5.563 3.719 1.00 0.00 N ATOM 153 CA VAL A 135 0.385 4.354 3.039 1.00 0.00 C ATOM 154 C VAL A 135 1.113 4.683 1.748 1.00 0.00 C ATOM 155 O VAL A 135 2.203 4.174 1.495 1.00 0.00 O ATOM 156 CB VAL A 135 -0.786 3.412 2.719 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.289 2.157 2.012 1.00 0.00 C ATOM 158 CG2 VAL A 135 -1.532 3.059 3.992 1.00 0.00 C ATOM 0 H VAL A 135 -1.075 5.702 3.712 1.00 0.00 H new ATOM 0 HA VAL A 135 1.069 3.853 3.724 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.474 3.923 2.046 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -1.134 1.503 1.794 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.204 2.435 1.081 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.419 1.633 2.655 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.360 2.391 3.755 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -0.853 2.563 4.686 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -1.919 3.969 4.451 1.00 0.00 H new ATOM 168 N ARG A 136 0.511 5.535 0.934 1.00 0.00 N ATOM 169 CA ARG A 136 1.119 5.922 -0.328 1.00 0.00 C ATOM 170 C ARG A 136 2.523 6.457 -0.079 1.00 0.00 C ATOM 171 O ARG A 136 3.413 6.315 -0.915 1.00 0.00 O ATOM 172 CB ARG A 136 0.268 6.982 -1.030 1.00 0.00 C ATOM 173 CG ARG A 136 -1.147 6.521 -1.340 1.00 0.00 C ATOM 174 CD ARG A 136 -2.063 7.696 -1.637 1.00 0.00 C ATOM 175 NE ARG A 136 -3.257 7.287 -2.374 1.00 0.00 N ATOM 176 CZ ARG A 136 -3.274 7.048 -3.683 1.00 0.00 C ATOM 177 NH1 ARG A 136 -2.166 7.178 -4.403 1.00 0.00 N ATOM 178 NH2 ARG A 136 -4.402 6.678 -4.275 1.00 0.00 N ATOM 0 H ARG A 136 -0.392 5.969 1.123 1.00 0.00 H new ATOM 0 HA ARG A 136 1.178 5.046 -0.974 1.00 0.00 H new ATOM 0 HB2 ARG A 136 0.222 7.872 -0.403 1.00 0.00 H new ATOM 0 HB3 ARG A 136 0.758 7.272 -1.959 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -1.131 5.845 -2.195 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -1.540 5.956 -0.495 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -2.359 8.170 -0.701 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.519 8.443 -2.215 1.00 0.00 H new ATOM 0 HE ARG A 136 -4.128 7.178 -1.855 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -1.296 7.462 -3.953 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -2.185 6.993 -5.406 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -5.256 6.577 -3.727 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -4.415 6.495 -5.278 1.00 0.00 H new ATOM 192 N LYS A 137 2.713 7.050 1.096 1.00 0.00 N ATOM 193 CA LYS A 137 4.004 7.586 1.488 1.00 0.00 C ATOM 194 C LYS A 137 4.926 6.460 1.928 1.00 0.00 C ATOM 195 O LYS A 137 6.120 6.460 1.627 1.00 0.00 O ATOM 196 CB LYS A 137 3.835 8.603 2.619 1.00 0.00 C ATOM 197 CG LYS A 137 5.146 9.210 3.096 1.00 0.00 C ATOM 198 CD LYS A 137 5.365 8.972 4.583 1.00 0.00 C ATOM 199 CE LYS A 137 4.884 10.152 5.412 1.00 0.00 C ATOM 200 NZ LYS A 137 5.826 11.302 5.339 1.00 0.00 N ATOM 0 H LYS A 137 1.980 7.170 1.795 1.00 0.00 H new ATOM 0 HA LYS A 137 4.449 8.090 0.630 1.00 0.00 H new ATOM 0 HB2 LYS A 137 3.176 9.403 2.281 1.00 0.00 H new ATOM 0 HB3 LYS A 137 3.342 8.118 3.461 1.00 0.00 H new ATOM 0 HG2 LYS A 137 5.973 8.779 2.532 1.00 0.00 H new ATOM 0 HG3 LYS A 137 5.146 10.281 2.894 1.00 0.00 H new ATOM 0 HD2 LYS A 137 4.836 8.070 4.890 1.00 0.00 H new ATOM 0 HD3 LYS A 137 6.424 8.800 4.773 1.00 0.00 H new ATOM 0 HE2 LYS A 137 3.901 10.465 5.061 1.00 0.00 H new ATOM 0 HE3 LYS A 137 4.768 9.843 6.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 5.535 12.032 6.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 6.787 10.978 5.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 5.814 11.700 4.378 1.00 0.00 H new ATOM 214 N TYR A 138 4.358 5.500 2.654 1.00 0.00 N ATOM 215 CA TYR A 138 5.124 4.368 3.150 1.00 0.00 C ATOM 216 C TYR A 138 5.613 3.493 2.003 1.00 0.00 C ATOM 217 O TYR A 138 6.793 3.154 1.933 1.00 0.00 O ATOM 218 CB TYR A 138 4.264 3.542 4.097 1.00 0.00 C ATOM 219 CG TYR A 138 4.960 2.297 4.589 1.00 0.00 C ATOM 220 CD1 TYR A 138 6.127 2.380 5.336 1.00 0.00 C ATOM 221 CD2 TYR A 138 4.459 1.040 4.289 1.00 0.00 C ATOM 222 CE1 TYR A 138 6.775 1.242 5.772 1.00 0.00 C ATOM 223 CE2 TYR A 138 5.098 -0.101 4.723 1.00 0.00 C ATOM 224 CZ TYR A 138 6.256 0.003 5.464 1.00 0.00 C ATOM 225 OH TYR A 138 6.897 -1.136 5.896 1.00 0.00 O ATOM 0 H TYR A 138 3.371 5.487 2.910 1.00 0.00 H new ATOM 0 HA TYR A 138 5.994 4.750 3.683 1.00 0.00 H new ATOM 0 HB2 TYR A 138 3.982 4.156 4.952 1.00 0.00 H new ATOM 0 HB3 TYR A 138 3.342 3.260 3.589 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.534 3.350 5.580 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.554 0.954 3.706 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.683 1.322 6.351 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.693 -1.073 4.484 1.00 0.00 H new ATOM 0 HH TYR A 138 6.400 -1.925 5.595 1.00 0.00 H new ATOM 235 N ALA A 139 4.713 3.158 1.087 1.00 0.00 N ATOM 236 CA ALA A 139 5.078 2.357 -0.067 1.00 0.00 C ATOM 237 C ALA A 139 6.023 3.162 -0.935 1.00 0.00 C ATOM 238 O ALA A 139 7.058 2.673 -1.376 1.00 0.00 O ATOM 239 CB ALA A 139 3.844 1.949 -0.860 1.00 0.00 C ATOM 0 H ALA A 139 3.730 3.429 1.123 1.00 0.00 H new ATOM 0 HA ALA A 139 5.569 1.443 0.268 1.00 0.00 H new ATOM 0 HB1 ALA A 139 4.145 1.350 -1.719 1.00 0.00 H new ATOM 0 HB2 ALA A 139 3.180 1.363 -0.224 1.00 0.00 H new ATOM 0 HB3 ALA A 139 3.322 2.841 -1.205 1.00 0.00 H new ATOM 245 N ARG A 140 5.666 4.421 -1.146 1.00 0.00 N ATOM 246 CA ARG A 140 6.489 5.323 -1.937 1.00 0.00 C ATOM 247 C ARG A 140 7.910 5.368 -1.375 1.00 0.00 C ATOM 248 O ARG A 140 8.878 5.539 -2.116 1.00 0.00 O ATOM 249 CB ARG A 140 5.874 6.726 -1.945 1.00 0.00 C ATOM 250 CG ARG A 140 6.735 7.774 -2.632 1.00 0.00 C ATOM 251 CD ARG A 140 6.684 7.630 -4.144 1.00 0.00 C ATOM 252 NE ARG A 140 7.152 8.835 -4.826 1.00 0.00 N ATOM 253 CZ ARG A 140 6.412 9.929 -4.990 1.00 0.00 C ATOM 254 NH1 ARG A 140 5.172 9.978 -4.518 1.00 0.00 N ATOM 255 NH2 ARG A 140 6.913 10.979 -5.626 1.00 0.00 N ATOM 0 H ARG A 140 4.811 4.841 -0.780 1.00 0.00 H new ATOM 0 HA ARG A 140 6.532 4.955 -2.962 1.00 0.00 H new ATOM 0 HB2 ARG A 140 4.905 6.684 -2.442 1.00 0.00 H new ATOM 0 HB3 ARG A 140 5.692 7.038 -0.917 1.00 0.00 H new ATOM 0 HG2 ARG A 140 6.394 8.770 -2.348 1.00 0.00 H new ATOM 0 HG3 ARG A 140 7.766 7.681 -2.291 1.00 0.00 H new ATOM 0 HD2 ARG A 140 7.296 6.781 -4.448 1.00 0.00 H new ATOM 0 HD3 ARG A 140 5.662 7.413 -4.453 1.00 0.00 H new ATOM 0 HE ARG A 140 8.102 8.838 -5.198 1.00 0.00 H new ATOM 0 HH11 ARG A 140 4.781 9.174 -4.026 1.00 0.00 H new ATOM 0 HH12 ARG A 140 4.610 10.819 -4.647 1.00 0.00 H new ATOM 0 HH21 ARG A 140 7.866 10.948 -5.990 1.00 0.00 H new ATOM 0 HH22 ARG A 140 6.346 11.817 -5.752 1.00 0.00 H new ATOM 269 N GLU A 141 8.023 5.204 -0.058 1.00 0.00 N ATOM 270 CA GLU A 141 9.317 5.216 0.610 1.00 0.00 C ATOM 271 C GLU A 141 9.968 3.841 0.555 1.00 0.00 C ATOM 272 O GLU A 141 11.185 3.720 0.414 1.00 0.00 O ATOM 273 CB GLU A 141 9.151 5.652 2.065 1.00 0.00 C ATOM 274 CG GLU A 141 8.979 7.151 2.236 1.00 0.00 C ATOM 275 CD GLU A 141 10.294 7.901 2.163 1.00 0.00 C ATOM 276 OE1 GLU A 141 10.879 7.968 1.062 1.00 0.00 O ATOM 277 OE2 GLU A 141 10.740 8.423 3.207 1.00 0.00 O ATOM 0 H GLU A 141 7.229 5.061 0.567 1.00 0.00 H new ATOM 0 HA GLU A 141 9.962 5.925 0.092 1.00 0.00 H new ATOM 0 HB2 GLU A 141 8.285 5.145 2.491 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.022 5.328 2.634 1.00 0.00 H new ATOM 0 HG2 GLU A 141 8.308 7.526 1.464 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.504 7.351 3.196 1.00 0.00 H new ATOM 284 N LYS A 142 9.146 2.808 0.684 1.00 0.00 N ATOM 285 CA LYS A 142 9.623 1.434 0.666 1.00 0.00 C ATOM 286 C LYS A 142 9.779 0.904 -0.760 1.00 0.00 C ATOM 287 O LYS A 142 9.699 -0.302 -0.991 1.00 0.00 O ATOM 288 CB LYS A 142 8.646 0.549 1.443 1.00 0.00 C ATOM 289 CG LYS A 142 8.582 0.840 2.940 1.00 0.00 C ATOM 290 CD LYS A 142 9.943 1.199 3.517 1.00 0.00 C ATOM 291 CE LYS A 142 9.840 1.579 4.985 1.00 0.00 C ATOM 292 NZ LYS A 142 11.132 2.094 5.519 1.00 0.00 N ATOM 0 H LYS A 142 8.137 2.899 0.803 1.00 0.00 H new ATOM 0 HA LYS A 142 10.607 1.412 1.135 1.00 0.00 H new ATOM 0 HB2 LYS A 142 7.649 0.671 1.019 1.00 0.00 H new ATOM 0 HB3 LYS A 142 8.928 -0.494 1.300 1.00 0.00 H new ATOM 0 HG2 LYS A 142 7.886 1.660 3.119 1.00 0.00 H new ATOM 0 HG3 LYS A 142 8.188 -0.032 3.461 1.00 0.00 H new ATOM 0 HD2 LYS A 142 10.622 0.354 3.405 1.00 0.00 H new ATOM 0 HD3 LYS A 142 10.371 2.028 2.954 1.00 0.00 H new ATOM 0 HE2 LYS A 142 9.068 2.338 5.110 1.00 0.00 H new ATOM 0 HE3 LYS A 142 9.529 0.709 5.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 11.019 2.342 6.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 11.864 1.361 5.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 11.417 2.939 4.984 1.00 0.00 H new ATOM 306 N GLY A 143 10.001 1.805 -1.718 1.00 0.00 N ATOM 307 CA GLY A 143 10.159 1.386 -3.103 1.00 0.00 C ATOM 308 C GLY A 143 8.998 0.538 -3.591 1.00 0.00 C ATOM 309 O GLY A 143 9.131 -0.220 -4.552 1.00 0.00 O ATOM 0 H GLY A 143 10.074 2.810 -1.561 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.252 2.268 -3.737 1.00 0.00 H new ATOM 0 HA3 GLY A 143 11.085 0.821 -3.205 1.00 0.00 H new ATOM 313 N VAL A 144 7.859 0.670 -2.922 1.00 0.00 N ATOM 314 CA VAL A 144 6.659 -0.078 -3.269 1.00 0.00 C ATOM 315 C VAL A 144 5.579 0.847 -3.810 1.00 0.00 C ATOM 316 O VAL A 144 5.386 1.957 -3.313 1.00 0.00 O ATOM 317 CB VAL A 144 6.107 -0.836 -2.044 1.00 0.00 C ATOM 318 CG1 VAL A 144 4.729 -1.418 -2.331 1.00 0.00 C ATOM 319 CG2 VAL A 144 7.074 -1.927 -1.616 1.00 0.00 C ATOM 0 H VAL A 144 7.742 1.297 -2.126 1.00 0.00 H new ATOM 0 HA VAL A 144 6.937 -0.796 -4.040 1.00 0.00 H new ATOM 0 HB VAL A 144 6.002 -0.124 -1.225 1.00 0.00 H new ATOM 0 HG11 VAL A 144 4.366 -1.946 -1.449 1.00 0.00 H new ATOM 0 HG12 VAL A 144 4.039 -0.612 -2.581 1.00 0.00 H new ATOM 0 HG13 VAL A 144 4.795 -2.113 -3.169 1.00 0.00 H new ATOM 0 HG21 VAL A 144 6.670 -2.452 -0.751 1.00 0.00 H new ATOM 0 HG22 VAL A 144 7.213 -2.632 -2.436 1.00 0.00 H new ATOM 0 HG23 VAL A 144 8.033 -1.481 -1.354 1.00 0.00 H new ATOM 329 N ASP A 145 4.867 0.371 -4.820 1.00 0.00 N ATOM 330 CA ASP A 145 3.793 1.134 -5.422 1.00 0.00 C ATOM 331 C ASP A 145 2.471 0.412 -5.208 1.00 0.00 C ATOM 332 O ASP A 145 2.363 -0.790 -5.449 1.00 0.00 O ATOM 333 CB ASP A 145 4.058 1.336 -6.913 1.00 0.00 C ATOM 334 CG ASP A 145 3.262 2.490 -7.490 1.00 0.00 C ATOM 335 OD1 ASP A 145 2.020 2.482 -7.352 1.00 0.00 O ATOM 336 OD2 ASP A 145 3.880 3.402 -8.077 1.00 0.00 O ATOM 0 H ASP A 145 5.018 -0.546 -5.240 1.00 0.00 H new ATOM 0 HA ASP A 145 3.741 2.114 -4.949 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.121 1.518 -7.069 1.00 0.00 H new ATOM 0 HB3 ASP A 145 3.809 0.421 -7.451 1.00 0.00 H new ATOM 341 N ILE A 146 1.470 1.146 -4.742 1.00 0.00 N ATOM 342 CA ILE A 146 0.157 0.567 -4.481 1.00 0.00 C ATOM 343 C ILE A 146 -0.359 -0.224 -5.683 1.00 0.00 C ATOM 344 O ILE A 146 -1.191 -1.119 -5.532 1.00 0.00 O ATOM 345 CB ILE A 146 -0.872 1.656 -4.114 1.00 0.00 C ATOM 346 CG1 ILE A 146 -0.321 2.571 -3.017 1.00 0.00 C ATOM 347 CG2 ILE A 146 -2.181 1.022 -3.665 1.00 0.00 C ATOM 348 CD1 ILE A 146 0.010 1.846 -1.730 1.00 0.00 C ATOM 0 H ILE A 146 1.541 2.143 -4.537 1.00 0.00 H new ATOM 0 HA ILE A 146 0.278 -0.112 -3.637 1.00 0.00 H new ATOM 0 HB ILE A 146 -1.064 2.258 -5.002 1.00 0.00 H new ATOM 0 HG12 ILE A 146 0.577 3.066 -3.386 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -1.052 3.352 -2.806 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -2.896 1.805 -3.410 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -2.585 0.411 -4.472 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -2.001 0.396 -2.791 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.395 2.558 -1.000 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -0.890 1.374 -1.337 1.00 0.00 H new ATOM 0 HD13 ILE A 146 0.764 1.084 -1.925 1.00 0.00 H new ATOM 360 N ARG A 147 0.138 0.097 -6.876 1.00 0.00 N ATOM 361 CA ARG A 147 -0.291 -0.606 -8.081 1.00 0.00 C ATOM 362 C ARG A 147 0.139 -2.066 -8.022 1.00 0.00 C ATOM 363 O ARG A 147 -0.548 -2.950 -8.537 1.00 0.00 O ATOM 364 CB ARG A 147 0.264 0.070 -9.336 1.00 0.00 C ATOM 365 CG ARG A 147 1.781 0.063 -9.422 1.00 0.00 C ATOM 366 CD ARG A 147 2.258 -0.079 -10.860 1.00 0.00 C ATOM 367 NE ARG A 147 3.065 1.062 -11.284 1.00 0.00 N ATOM 368 CZ ARG A 147 2.564 2.265 -11.552 1.00 0.00 C ATOM 369 NH1 ARG A 147 1.261 2.489 -11.438 1.00 0.00 N ATOM 370 NH2 ARG A 147 3.369 3.247 -11.935 1.00 0.00 N ATOM 0 H ARG A 147 0.830 0.830 -7.033 1.00 0.00 H new ATOM 0 HA ARG A 147 -1.379 -0.565 -8.132 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -0.142 -0.430 -10.215 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -0.087 1.102 -9.366 1.00 0.00 H new ATOM 0 HG2 ARG A 147 2.175 0.986 -8.997 1.00 0.00 H new ATOM 0 HG3 ARG A 147 2.177 -0.758 -8.824 1.00 0.00 H new ATOM 0 HD2 ARG A 147 2.843 -0.993 -10.959 1.00 0.00 H new ATOM 0 HD3 ARG A 147 1.396 -0.179 -11.520 1.00 0.00 H new ATOM 0 HE ARG A 147 4.072 0.929 -11.380 1.00 0.00 H new ATOM 0 HH11 ARG A 147 0.638 1.737 -11.144 1.00 0.00 H new ATOM 0 HH12 ARG A 147 0.882 3.413 -11.645 1.00 0.00 H new ATOM 0 HH21 ARG A 147 4.371 3.080 -12.024 1.00 0.00 H new ATOM 0 HH22 ARG A 147 2.986 4.170 -12.141 1.00 0.00 H new ATOM 384 N LEU A 148 1.272 -2.314 -7.375 1.00 0.00 N ATOM 385 CA LEU A 148 1.789 -3.662 -7.224 1.00 0.00 C ATOM 386 C LEU A 148 1.177 -4.340 -5.999 1.00 0.00 C ATOM 387 O LEU A 148 1.386 -5.530 -5.768 1.00 0.00 O ATOM 388 CB LEU A 148 3.312 -3.636 -7.084 1.00 0.00 C ATOM 389 CG LEU A 148 4.023 -2.464 -7.763 1.00 0.00 C ATOM 390 CD1 LEU A 148 5.502 -2.477 -7.425 1.00 0.00 C ATOM 391 CD2 LEU A 148 3.819 -2.519 -9.269 1.00 0.00 C ATOM 0 H LEU A 148 1.850 -1.592 -6.946 1.00 0.00 H new ATOM 0 HA LEU A 148 1.519 -4.229 -8.115 1.00 0.00 H new ATOM 0 HB2 LEU A 148 3.560 -3.621 -6.023 1.00 0.00 H new ATOM 0 HB3 LEU A 148 3.711 -4.564 -7.492 1.00 0.00 H new ATOM 0 HG LEU A 148 3.592 -1.534 -7.392 1.00 0.00 H new ATOM 0 HD11 LEU A 148 5.995 -1.637 -7.915 1.00 0.00 H new ATOM 0 HD12 LEU A 148 5.629 -2.393 -6.346 1.00 0.00 H new ATOM 0 HD13 LEU A 148 5.946 -3.410 -7.771 1.00 0.00 H new ATOM 0 HD21 LEU A 148 4.331 -1.678 -9.737 1.00 0.00 H new ATOM 0 HD22 LEU A 148 4.225 -3.453 -9.657 1.00 0.00 H new ATOM 0 HD23 LEU A 148 2.754 -2.465 -9.494 1.00 0.00 H new ATOM 403 N VAL A 149 0.429 -3.569 -5.208 1.00 0.00 N ATOM 404 CA VAL A 149 -0.198 -4.093 -4.002 1.00 0.00 C ATOM 405 C VAL A 149 -1.714 -4.159 -4.146 1.00 0.00 C ATOM 406 O VAL A 149 -2.327 -3.306 -4.787 1.00 0.00 O ATOM 407 CB VAL A 149 0.146 -3.227 -2.775 1.00 0.00 C ATOM 408 CG1 VAL A 149 -0.217 -3.952 -1.489 1.00 0.00 C ATOM 409 CG2 VAL A 149 1.619 -2.842 -2.781 1.00 0.00 C ATOM 0 H VAL A 149 0.245 -2.581 -5.384 1.00 0.00 H new ATOM 0 HA VAL A 149 0.193 -5.100 -3.858 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.443 -2.311 -2.828 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.034 -3.324 -0.634 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -1.286 -4.166 -1.481 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.341 -4.887 -1.428 1.00 0.00 H new ATOM 0 HG21 VAL A 149 1.839 -2.231 -1.906 1.00 0.00 H new ATOM 0 HG22 VAL A 149 2.231 -3.744 -2.757 1.00 0.00 H new ATOM 0 HG23 VAL A 149 1.843 -2.275 -3.685 1.00 0.00 H new ATOM 419 N GLN A 150 -2.314 -5.174 -3.533 1.00 0.00 N ATOM 420 CA GLN A 150 -3.760 -5.351 -3.578 1.00 0.00 C ATOM 421 C GLN A 150 -4.382 -4.946 -2.245 1.00 0.00 C ATOM 422 O GLN A 150 -4.543 -5.773 -1.348 1.00 0.00 O ATOM 423 CB GLN A 150 -4.109 -6.807 -3.903 1.00 0.00 C ATOM 424 CG GLN A 150 -4.989 -6.961 -5.134 1.00 0.00 C ATOM 425 CD GLN A 150 -4.581 -8.136 -5.999 1.00 0.00 C ATOM 426 OE1 GLN A 150 -5.209 -9.195 -5.965 1.00 0.00 O ATOM 427 NE2 GLN A 150 -3.523 -7.956 -6.782 1.00 0.00 N ATOM 0 H GLN A 150 -1.819 -5.888 -2.998 1.00 0.00 H new ATOM 0 HA GLN A 150 -4.164 -4.712 -4.363 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -3.187 -7.368 -4.053 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -4.616 -7.250 -3.046 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -6.026 -7.087 -4.821 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -4.944 -6.046 -5.725 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -3.032 -7.062 -6.779 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -3.202 -8.712 -7.387 1.00 0.00 H new ATOM 436 N GLY A 151 -4.717 -3.666 -2.118 1.00 0.00 N ATOM 437 CA GLY A 151 -5.303 -3.174 -0.889 1.00 0.00 C ATOM 438 C GLY A 151 -6.659 -3.781 -0.594 1.00 0.00 C ATOM 439 O GLY A 151 -7.495 -3.917 -1.487 1.00 0.00 O ATOM 0 H GLY A 151 -4.592 -2.962 -2.846 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -4.628 -3.387 -0.060 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.402 -2.090 -0.949 1.00 0.00 H new ATOM 443 N THR A 152 -6.875 -4.145 0.666 1.00 0.00 N ATOM 444 CA THR A 152 -8.139 -4.735 1.091 1.00 0.00 C ATOM 445 C THR A 152 -8.822 -3.856 2.138 1.00 0.00 C ATOM 446 O THR A 152 -9.592 -4.345 2.964 1.00 0.00 O ATOM 447 CB THR A 152 -7.905 -6.137 1.658 1.00 0.00 C ATOM 448 OG1 THR A 152 -6.563 -6.288 2.087 1.00 0.00 O ATOM 449 CG2 THR A 152 -8.195 -7.239 0.662 1.00 0.00 C ATOM 0 H THR A 152 -6.188 -4.041 1.413 1.00 0.00 H new ATOM 0 HA THR A 152 -8.791 -4.807 0.221 1.00 0.00 H new ATOM 0 HB THR A 152 -8.599 -6.231 2.494 1.00 0.00 H new ATOM 0 HG1 THR A 152 -6.434 -7.190 2.448 1.00 0.00 H new ATOM 0 HG21 THR A 152 -8.009 -8.207 1.127 1.00 0.00 H new ATOM 0 HG22 THR A 152 -9.237 -7.181 0.348 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.547 -7.124 -0.207 1.00 0.00 H new ATOM 457 N GLY A 153 -8.524 -2.559 2.107 1.00 0.00 N ATOM 458 CA GLY A 153 -9.109 -1.641 3.069 1.00 0.00 C ATOM 459 C GLY A 153 -10.372 -0.966 2.567 1.00 0.00 C ATOM 460 O GLY A 153 -10.355 -0.284 1.543 1.00 0.00 O ATOM 0 H GLY A 153 -7.889 -2.129 1.434 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.336 -2.184 3.986 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.375 -0.877 3.324 1.00 0.00 H new ATOM 464 N LYS A 154 -11.464 -1.153 3.303 1.00 0.00 N ATOM 465 CA LYS A 154 -12.752 -0.557 2.955 1.00 0.00 C ATOM 466 C LYS A 154 -13.186 -0.931 1.536 1.00 0.00 C ATOM 467 O LYS A 154 -13.992 -1.842 1.349 1.00 0.00 O ATOM 468 CB LYS A 154 -12.697 0.966 3.117 1.00 0.00 C ATOM 469 CG LYS A 154 -14.011 1.576 3.579 1.00 0.00 C ATOM 470 CD LYS A 154 -13.969 1.944 5.054 1.00 0.00 C ATOM 471 CE LYS A 154 -13.314 3.299 5.272 1.00 0.00 C ATOM 472 NZ LYS A 154 -13.756 3.931 6.546 1.00 0.00 N ATOM 0 H LYS A 154 -11.483 -1.718 4.152 1.00 0.00 H new ATOM 0 HA LYS A 154 -13.497 -0.959 3.641 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -11.916 1.219 3.834 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -12.413 1.414 2.165 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -14.228 2.465 2.987 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -14.823 0.870 3.402 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -14.982 1.960 5.455 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -13.420 1.180 5.605 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -12.230 3.181 5.282 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -13.555 3.957 4.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -13.287 4.853 6.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -14.787 4.067 6.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -13.503 3.315 7.345 1.00 0.00 H new ATOM 486 N ASN A 155 -12.657 -0.224 0.539 1.00 0.00 N ATOM 487 CA ASN A 155 -13.007 -0.489 -0.853 1.00 0.00 C ATOM 488 C ASN A 155 -11.805 -1.013 -1.631 1.00 0.00 C ATOM 489 O ASN A 155 -11.624 -0.688 -2.805 1.00 0.00 O ATOM 490 CB ASN A 155 -13.543 0.781 -1.515 1.00 0.00 C ATOM 491 CG ASN A 155 -14.579 1.485 -0.663 1.00 0.00 C ATOM 492 OD1 ASN A 155 -15.739 1.073 -0.608 1.00 0.00 O ATOM 493 ND2 ASN A 155 -14.168 2.554 0.008 1.00 0.00 N ATOM 0 H ASN A 155 -11.987 0.534 0.669 1.00 0.00 H new ATOM 0 HA ASN A 155 -13.783 -1.254 -0.865 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -12.715 1.462 -1.711 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -13.982 0.527 -2.480 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -14.822 3.069 0.598 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -13.198 2.861 -0.066 1.00 0.00 H new ATOM 500 N GLY A 156 -10.986 -1.826 -0.972 1.00 0.00 N ATOM 501 CA GLY A 156 -9.813 -2.380 -1.624 1.00 0.00 C ATOM 502 C GLY A 156 -8.611 -1.458 -1.544 1.00 0.00 C ATOM 503 O GLY A 156 -7.724 -1.508 -2.396 1.00 0.00 O ATOM 0 H GLY A 156 -11.113 -2.111 -0.001 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.564 -3.336 -1.164 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.044 -2.580 -2.670 1.00 0.00 H new ATOM 507 N ARG A 157 -8.584 -0.613 -0.519 1.00 0.00 N ATOM 508 CA ARG A 157 -7.484 0.327 -0.330 1.00 0.00 C ATOM 509 C ARG A 157 -6.300 -0.352 0.351 1.00 0.00 C ATOM 510 O ARG A 157 -6.475 -1.196 1.230 1.00 0.00 O ATOM 511 CB ARG A 157 -7.956 1.524 0.498 1.00 0.00 C ATOM 512 CG ARG A 157 -6.858 2.529 0.811 1.00 0.00 C ATOM 513 CD ARG A 157 -7.238 3.424 1.981 1.00 0.00 C ATOM 514 NE ARG A 157 -8.644 3.825 1.932 1.00 0.00 N ATOM 515 CZ ARG A 157 -9.370 4.126 3.008 1.00 0.00 C ATOM 516 NH1 ARG A 157 -8.830 4.084 4.221 1.00 0.00 N ATOM 517 NH2 ARG A 157 -10.642 4.473 2.871 1.00 0.00 N ATOM 0 H ARG A 157 -9.311 -0.559 0.194 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.158 0.677 -1.309 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.757 2.032 -0.039 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -8.380 1.161 1.434 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -5.934 1.999 1.042 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.663 3.142 -0.069 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -7.043 2.900 2.916 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -6.607 4.313 1.977 1.00 0.00 H new ATOM 0 HE ARG A 157 -9.096 3.877 1.019 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -7.851 3.820 4.335 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -9.394 4.316 5.039 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -11.064 4.509 1.943 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -11.199 4.704 3.694 1.00 0.00 H new ATOM 531 N VAL A 158 -5.095 0.019 -0.069 1.00 0.00 N ATOM 532 CA VAL A 158 -3.878 -0.558 0.490 1.00 0.00 C ATOM 533 C VAL A 158 -3.573 0.012 1.869 1.00 0.00 C ATOM 534 O VAL A 158 -3.687 1.216 2.101 1.00 0.00 O ATOM 535 CB VAL A 158 -2.663 -0.325 -0.437 1.00 0.00 C ATOM 536 CG1 VAL A 158 -1.353 -0.612 0.283 1.00 0.00 C ATOM 537 CG2 VAL A 158 -2.769 -1.184 -1.682 1.00 0.00 C ATOM 0 H VAL A 158 -4.935 0.717 -0.795 1.00 0.00 H new ATOM 0 HA VAL A 158 -4.055 -1.630 0.580 1.00 0.00 H new ATOM 0 HB VAL A 158 -2.669 0.725 -0.729 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -0.519 -0.439 -0.397 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -1.261 0.047 1.147 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -1.340 -1.650 0.615 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -1.905 -1.006 -2.322 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -2.799 -2.236 -1.397 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -3.680 -0.929 -2.224 1.00 0.00 H new ATOM 547 N LEU A 159 -3.164 -0.868 2.772 1.00 0.00 N ATOM 548 CA LEU A 159 -2.812 -0.476 4.128 1.00 0.00 C ATOM 549 C LEU A 159 -1.310 -0.619 4.330 1.00 0.00 C ATOM 550 O LEU A 159 -0.644 -1.323 3.574 1.00 0.00 O ATOM 551 CB LEU A 159 -3.560 -1.349 5.138 1.00 0.00 C ATOM 552 CG LEU A 159 -5.081 -1.155 5.179 1.00 0.00 C ATOM 553 CD1 LEU A 159 -5.653 -1.702 6.478 1.00 0.00 C ATOM 554 CD2 LEU A 159 -5.449 0.314 5.012 1.00 0.00 C ATOM 0 H LEU A 159 -3.067 -1.866 2.587 1.00 0.00 H new ATOM 0 HA LEU A 159 -3.097 0.565 4.283 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -3.350 -2.395 4.913 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -3.159 -1.150 6.132 1.00 0.00 H new ATOM 0 HG LEU A 159 -5.515 -1.709 4.347 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -6.733 -1.556 6.490 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -5.430 -2.766 6.554 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -5.206 -1.176 7.322 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -6.533 0.424 5.045 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -5.001 0.895 5.818 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -5.077 0.676 4.054 1.00 0.00 H new ATOM 566 N LYS A 160 -0.767 0.037 5.350 1.00 0.00 N ATOM 567 CA LYS A 160 0.663 -0.062 5.613 1.00 0.00 C ATOM 568 C LYS A 160 1.058 -1.524 5.769 1.00 0.00 C ATOM 569 O LYS A 160 2.163 -1.925 5.401 1.00 0.00 O ATOM 570 CB LYS A 160 1.051 0.730 6.862 1.00 0.00 C ATOM 571 CG LYS A 160 2.542 1.012 6.959 1.00 0.00 C ATOM 572 CD LYS A 160 2.986 1.173 8.403 1.00 0.00 C ATOM 573 CE LYS A 160 4.048 2.253 8.540 1.00 0.00 C ATOM 574 NZ LYS A 160 4.280 2.626 9.963 1.00 0.00 N ATOM 0 H LYS A 160 -1.284 0.632 5.997 1.00 0.00 H new ATOM 0 HA LYS A 160 1.199 0.367 4.766 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.509 1.676 6.867 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.735 0.177 7.747 1.00 0.00 H new ATOM 0 HG2 LYS A 160 3.098 0.197 6.495 1.00 0.00 H new ATOM 0 HG3 LYS A 160 2.779 1.918 6.401 1.00 0.00 H new ATOM 0 HD2 LYS A 160 2.126 1.425 9.024 1.00 0.00 H new ATOM 0 HD3 LYS A 160 3.379 0.226 8.772 1.00 0.00 H new ATOM 0 HE2 LYS A 160 4.981 1.902 8.100 1.00 0.00 H new ATOM 0 HE3 LYS A 160 3.743 3.136 7.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 5.010 3.365 10.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 3.396 2.985 10.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 4.596 1.790 10.494 1.00 0.00 H new ATOM 588 N GLU A 161 0.131 -2.324 6.291 1.00 0.00 N ATOM 589 CA GLU A 161 0.368 -3.747 6.466 1.00 0.00 C ATOM 590 C GLU A 161 0.540 -4.397 5.100 1.00 0.00 C ATOM 591 O GLU A 161 1.378 -5.282 4.917 1.00 0.00 O ATOM 592 CB GLU A 161 -0.794 -4.399 7.219 1.00 0.00 C ATOM 593 CG GLU A 161 -1.210 -3.637 8.468 1.00 0.00 C ATOM 594 CD GLU A 161 -1.888 -4.525 9.494 1.00 0.00 C ATOM 595 OE1 GLU A 161 -1.632 -5.748 9.481 1.00 0.00 O ATOM 596 OE2 GLU A 161 -2.673 -3.998 10.309 1.00 0.00 O ATOM 0 H GLU A 161 -0.789 -2.008 6.598 1.00 0.00 H new ATOM 0 HA GLU A 161 1.274 -3.888 7.055 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -1.651 -4.480 6.550 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -0.511 -5.414 7.499 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -0.331 -3.175 8.917 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -1.886 -2.829 8.188 1.00 0.00 H new ATOM 603 N ASP A 162 -0.249 -3.929 4.136 1.00 0.00 N ATOM 604 CA ASP A 162 -0.177 -4.438 2.773 1.00 0.00 C ATOM 605 C ASP A 162 1.203 -4.159 2.192 1.00 0.00 C ATOM 606 O ASP A 162 1.862 -5.052 1.657 1.00 0.00 O ATOM 607 CB ASP A 162 -1.250 -3.782 1.905 1.00 0.00 C ATOM 608 CG ASP A 162 -2.578 -4.508 1.972 1.00 0.00 C ATOM 609 OD1 ASP A 162 -2.594 -5.739 1.763 1.00 0.00 O ATOM 610 OD2 ASP A 162 -3.603 -3.843 2.234 1.00 0.00 O ATOM 0 H ASP A 162 -0.946 -3.197 4.276 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.350 -5.514 2.788 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.388 -2.749 2.224 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -0.908 -3.753 0.871 1.00 0.00 H new ATOM 615 N ILE A 163 1.632 -2.909 2.319 1.00 0.00 N ATOM 616 CA ILE A 163 2.940 -2.482 1.829 1.00 0.00 C ATOM 617 C ILE A 163 4.040 -3.388 2.372 1.00 0.00 C ATOM 618 O ILE A 163 4.825 -3.957 1.613 1.00 0.00 O ATOM 619 CB ILE A 163 3.256 -1.034 2.260 1.00 0.00 C ATOM 620 CG1 ILE A 163 2.104 -0.099 1.904 1.00 0.00 C ATOM 621 CG2 ILE A 163 4.555 -0.554 1.620 1.00 0.00 C ATOM 622 CD1 ILE A 163 1.766 -0.109 0.438 1.00 0.00 C ATOM 0 H ILE A 163 1.089 -2.167 2.761 1.00 0.00 H new ATOM 0 HA ILE A 163 2.906 -2.540 0.741 1.00 0.00 H new ATOM 0 HB ILE A 163 3.382 -1.022 3.343 1.00 0.00 H new ATOM 0 HG12 ILE A 163 1.222 -0.386 2.476 1.00 0.00 H new ATOM 0 HG13 ILE A 163 2.362 0.917 2.204 1.00 0.00 H new ATOM 0 HG21 ILE A 163 4.760 0.469 1.936 1.00 0.00 H new ATOM 0 HG22 ILE A 163 5.375 -1.201 1.931 1.00 0.00 H new ATOM 0 HG23 ILE A 163 4.459 -0.586 0.535 1.00 0.00 H new ATOM 0 HD11 ILE A 163 0.939 0.576 0.251 1.00 0.00 H new ATOM 0 HD12 ILE A 163 2.636 0.206 -0.138 1.00 0.00 H new ATOM 0 HD13 ILE A 163 1.477 -1.116 0.138 1.00 0.00 H new ATOM 634 N ASP A 164 4.089 -3.513 3.696 1.00 0.00 N ATOM 635 CA ASP A 164 5.089 -4.345 4.349 1.00 0.00 C ATOM 636 C ASP A 164 5.036 -5.773 3.816 1.00 0.00 C ATOM 637 O ASP A 164 6.067 -6.425 3.651 1.00 0.00 O ATOM 638 CB ASP A 164 4.873 -4.345 5.864 1.00 0.00 C ATOM 639 CG ASP A 164 6.025 -4.986 6.612 1.00 0.00 C ATOM 640 OD1 ASP A 164 6.549 -6.013 6.130 1.00 0.00 O ATOM 641 OD2 ASP A 164 6.404 -4.462 7.681 1.00 0.00 O ATOM 0 H ASP A 164 3.446 -3.047 4.336 1.00 0.00 H new ATOM 0 HA ASP A 164 6.073 -3.929 4.130 1.00 0.00 H new ATOM 0 HB2 ASP A 164 4.745 -3.319 6.210 1.00 0.00 H new ATOM 0 HB3 ASP A 164 3.951 -4.878 6.097 1.00 0.00 H new ATOM 646 N ALA A 165 3.825 -6.251 3.543 1.00 0.00 N ATOM 647 CA ALA A 165 3.635 -7.598 3.022 1.00 0.00 C ATOM 648 C ALA A 165 4.275 -7.743 1.647 1.00 0.00 C ATOM 649 O ALA A 165 4.867 -8.775 1.331 1.00 0.00 O ATOM 650 CB ALA A 165 2.153 -7.935 2.955 1.00 0.00 C ATOM 0 H ALA A 165 2.962 -5.724 3.675 1.00 0.00 H new ATOM 0 HA ALA A 165 4.123 -8.298 3.700 1.00 0.00 H new ATOM 0 HB1 ALA A 165 2.027 -8.945 2.564 1.00 0.00 H new ATOM 0 HB2 ALA A 165 1.721 -7.876 3.954 1.00 0.00 H new ATOM 0 HB3 ALA A 165 1.648 -7.226 2.299 1.00 0.00 H new ATOM 656 N TRP A 166 4.157 -6.698 0.834 1.00 0.00 N ATOM 657 CA TRP A 166 4.730 -6.704 -0.508 1.00 0.00 C ATOM 658 C TRP A 166 6.233 -6.940 -0.452 1.00 0.00 C ATOM 659 O TRP A 166 6.752 -7.881 -1.051 1.00 0.00 O ATOM 660 CB TRP A 166 4.449 -5.373 -1.205 1.00 0.00 C ATOM 661 CG TRP A 166 4.754 -5.390 -2.672 1.00 0.00 C ATOM 662 CD1 TRP A 166 5.694 -4.641 -3.320 1.00 0.00 C ATOM 663 CD2 TRP A 166 4.119 -6.192 -3.673 1.00 0.00 C ATOM 664 NE1 TRP A 166 5.681 -4.928 -4.663 1.00 0.00 N ATOM 665 CE2 TRP A 166 4.725 -5.878 -4.905 1.00 0.00 C ATOM 666 CE3 TRP A 166 3.099 -7.147 -3.649 1.00 0.00 C ATOM 667 CZ2 TRP A 166 4.343 -6.482 -6.098 1.00 0.00 C ATOM 668 CZ3 TRP A 166 2.722 -7.748 -4.837 1.00 0.00 C ATOM 669 CH2 TRP A 166 3.343 -7.413 -6.046 1.00 0.00 C ATOM 0 H TRP A 166 3.670 -5.836 1.081 1.00 0.00 H new ATOM 0 HA TRP A 166 4.268 -7.514 -1.071 1.00 0.00 H new ATOM 0 HB2 TRP A 166 3.400 -5.112 -1.063 1.00 0.00 H new ATOM 0 HB3 TRP A 166 5.040 -4.591 -0.728 1.00 0.00 H new ATOM 0 HD1 TRP A 166 6.351 -3.927 -2.846 1.00 0.00 H new ATOM 0 HE1 TRP A 166 6.285 -4.503 -5.366 1.00 0.00 H new ATOM 0 HE3 TRP A 166 2.614 -7.411 -2.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 4.819 -6.225 -7.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 1.935 -8.488 -4.831 1.00 0.00 H new ATOM 0 HH2 TRP A 166 3.026 -7.900 -6.956 1.00 0.00 H new ATOM 680 N LEU A 167 6.923 -6.074 0.278 1.00 0.00 N ATOM 681 CA LEU A 167 8.370 -6.173 0.427 1.00 0.00 C ATOM 682 C LEU A 167 8.758 -7.467 1.133 1.00 0.00 C ATOM 683 O LEU A 167 9.822 -8.032 0.879 1.00 0.00 O ATOM 684 CB LEU A 167 8.901 -4.969 1.206 1.00 0.00 C ATOM 685 CG LEU A 167 8.523 -3.609 0.614 1.00 0.00 C ATOM 686 CD1 LEU A 167 7.886 -2.718 1.668 1.00 0.00 C ATOM 687 CD2 LEU A 167 9.741 -2.932 0.004 1.00 0.00 C ATOM 0 H LEU A 167 6.502 -5.291 0.779 1.00 0.00 H new ATOM 0 HA LEU A 167 8.816 -6.180 -0.567 1.00 0.00 H new ATOM 0 HB2 LEU A 167 8.528 -5.022 2.229 1.00 0.00 H new ATOM 0 HB3 LEU A 167 9.988 -5.038 1.259 1.00 0.00 H new ATOM 0 HG LEU A 167 7.791 -3.775 -0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 167 7.626 -1.757 1.224 1.00 0.00 H new ATOM 0 HD12 LEU A 167 6.985 -3.196 2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 167 8.590 -2.561 2.485 1.00 0.00 H new ATOM 0 HD21 LEU A 167 9.451 -1.967 -0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 167 10.498 -2.783 0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 167 10.148 -3.560 -0.788 1.00 0.00 H new ATOM 699 N ALA A 168 7.886 -7.932 2.021 1.00 0.00 N ATOM 700 CA ALA A 168 8.135 -9.162 2.764 1.00 0.00 C ATOM 701 C ALA A 168 8.076 -10.381 1.849 1.00 0.00 C ATOM 702 O ALA A 168 8.680 -11.414 2.137 1.00 0.00 O ATOM 703 CB ALA A 168 7.132 -9.303 3.900 1.00 0.00 C ATOM 0 H ALA A 168 7.001 -7.476 2.244 1.00 0.00 H new ATOM 0 HA ALA A 168 9.139 -9.106 3.184 1.00 0.00 H new ATOM 0 HB1 ALA A 168 7.329 -10.225 4.447 1.00 0.00 H new ATOM 0 HB2 ALA A 168 7.226 -8.453 4.576 1.00 0.00 H new ATOM 0 HB3 ALA A 168 6.122 -9.332 3.492 1.00 0.00 H new