USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=5 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+ -124:sc= -0.175 (180deg=-0.77) USER MOD Single : A 138 TYR OH : rot 171:sc= 0.116 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 :FLIP amide:sc= -0.256 F(o=-1.3,f=-0.26) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 130 -5.092 3.315 -4.876 1.00 0.00 N ATOM 82 CA ILE A 130 -5.908 3.477 -3.680 1.00 0.00 C ATOM 83 C ILE A 130 -5.118 3.104 -2.434 1.00 0.00 C ATOM 84 O ILE A 130 -4.777 1.940 -2.225 1.00 0.00 O ATOM 85 CB ILE A 130 -7.189 2.624 -3.748 1.00 0.00 C ATOM 86 CG1 ILE A 130 -7.947 2.928 -5.038 1.00 0.00 C ATOM 87 CG2 ILE A 130 -8.073 2.885 -2.536 1.00 0.00 C ATOM 88 CD1 ILE A 130 -7.626 1.975 -6.169 1.00 0.00 C ATOM 0 HA ILE A 130 -6.194 4.527 -3.627 1.00 0.00 H new ATOM 0 HB ILE A 130 -6.909 1.571 -3.743 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -9.018 2.893 -4.837 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -7.715 3.945 -5.354 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -8.972 2.273 -2.603 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -7.528 2.631 -1.627 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -8.352 3.938 -2.509 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -8.201 2.252 -7.053 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -6.562 2.027 -6.398 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -7.884 0.958 -5.872 1.00 0.00 H new ATOM 100 N ALA A 131 -4.827 4.103 -1.613 1.00 0.00 N ATOM 101 CA ALA A 131 -4.071 3.891 -0.385 1.00 0.00 C ATOM 102 C ALA A 131 -4.163 5.101 0.535 1.00 0.00 C ATOM 103 O ALA A 131 -4.270 6.238 0.074 1.00 0.00 O ATOM 104 CB ALA A 131 -2.617 3.585 -0.711 1.00 0.00 C ATOM 0 H ALA A 131 -5.103 5.071 -1.775 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.506 3.039 0.137 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.062 3.428 0.214 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -2.563 2.685 -1.323 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.183 4.422 -1.258 1.00 0.00 H new ATOM 110 N MET A 132 -4.118 4.850 1.839 1.00 0.00 N ATOM 111 CA MET A 132 -4.194 5.918 2.827 1.00 0.00 C ATOM 112 C MET A 132 -3.091 6.950 2.597 1.00 0.00 C ATOM 113 O MET A 132 -2.014 6.617 2.100 1.00 0.00 O ATOM 114 CB MET A 132 -4.085 5.337 4.239 1.00 0.00 C ATOM 115 CG MET A 132 -5.412 5.289 4.979 1.00 0.00 C ATOM 116 SD MET A 132 -5.415 6.296 6.476 1.00 0.00 S ATOM 117 CE MET A 132 -6.206 5.180 7.633 1.00 0.00 C ATOM 0 H MET A 132 -4.029 3.915 2.236 1.00 0.00 H new ATOM 0 HA MET A 132 -5.158 6.416 2.720 1.00 0.00 H new ATOM 0 HB2 MET A 132 -3.675 4.329 4.178 1.00 0.00 H new ATOM 0 HB3 MET A 132 -3.378 5.934 4.815 1.00 0.00 H new ATOM 0 HG2 MET A 132 -6.206 5.631 4.315 1.00 0.00 H new ATOM 0 HG3 MET A 132 -5.639 4.256 5.241 1.00 0.00 H new ATOM 0 HE1 MET A 132 -6.281 5.660 8.608 1.00 0.00 H new ATOM 0 HE2 MET A 132 -7.204 4.931 7.273 1.00 0.00 H new ATOM 0 HE3 MET A 132 -5.614 4.269 7.722 1.00 0.00 H new ATOM 127 N PRO A 133 -3.345 8.221 2.954 1.00 0.00 N ATOM 128 CA PRO A 133 -2.368 9.300 2.782 1.00 0.00 C ATOM 129 C PRO A 133 -0.996 8.935 3.338 1.00 0.00 C ATOM 130 O PRO A 133 0.027 9.448 2.883 1.00 0.00 O ATOM 131 CB PRO A 133 -2.977 10.456 3.576 1.00 0.00 C ATOM 132 CG PRO A 133 -4.443 10.200 3.550 1.00 0.00 C ATOM 133 CD PRO A 133 -4.604 8.705 3.553 1.00 0.00 C ATOM 0 HA PRO A 133 -2.195 9.530 1.731 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -2.597 10.479 4.597 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -2.735 11.418 3.124 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -4.932 10.647 4.416 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -4.900 10.640 2.663 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -4.743 8.318 4.563 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -5.471 8.394 2.971 1.00 0.00 H new ATOM 141 N SER A 134 -0.980 8.047 4.327 1.00 0.00 N ATOM 142 CA SER A 134 0.267 7.614 4.946 1.00 0.00 C ATOM 143 C SER A 134 0.828 6.380 4.243 1.00 0.00 C ATOM 144 O SER A 134 2.040 6.168 4.217 1.00 0.00 O ATOM 145 CB SER A 134 0.045 7.317 6.430 1.00 0.00 C ATOM 146 OG SER A 134 0.690 8.281 7.246 1.00 0.00 O ATOM 0 H SER A 134 -1.817 7.613 4.717 1.00 0.00 H new ATOM 0 HA SER A 134 0.992 8.422 4.848 1.00 0.00 H new ATOM 0 HB2 SER A 134 -1.023 7.309 6.647 1.00 0.00 H new ATOM 0 HB3 SER A 134 0.425 6.323 6.666 1.00 0.00 H new ATOM 0 HG SER A 134 0.531 8.070 8.190 1.00 0.00 H new ATOM 152 N VAL A 135 -0.060 5.566 3.680 1.00 0.00 N ATOM 153 CA VAL A 135 0.353 4.354 2.983 1.00 0.00 C ATOM 154 C VAL A 135 1.087 4.678 1.696 1.00 0.00 C ATOM 155 O VAL A 135 2.181 4.174 1.452 1.00 0.00 O ATOM 156 CB VAL A 135 -0.846 3.452 2.654 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.394 2.206 1.903 1.00 0.00 C ATOM 158 CG2 VAL A 135 -1.581 3.079 3.924 1.00 0.00 C ATOM 0 H VAL A 135 -1.068 5.724 3.693 1.00 0.00 H new ATOM 0 HA VAL A 135 1.024 3.824 3.659 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.529 4.003 2.007 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -1.259 1.582 1.680 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.092 2.498 0.972 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.309 1.645 2.519 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.429 2.440 3.679 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -0.905 2.545 4.592 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -1.939 3.983 4.416 1.00 0.00 H new ATOM 168 N ARG A 136 0.480 5.516 0.872 1.00 0.00 N ATOM 169 CA ARG A 136 1.088 5.895 -0.393 1.00 0.00 C ATOM 170 C ARG A 136 2.488 6.444 -0.151 1.00 0.00 C ATOM 171 O ARG A 136 3.375 6.307 -0.990 1.00 0.00 O ATOM 172 CB ARG A 136 0.230 6.942 -1.105 1.00 0.00 C ATOM 173 CG ARG A 136 -0.721 6.351 -2.135 1.00 0.00 C ATOM 174 CD ARG A 136 -2.127 6.911 -1.988 1.00 0.00 C ATOM 175 NE ARG A 136 -2.676 7.353 -3.267 1.00 0.00 N ATOM 176 CZ ARG A 136 -3.748 8.135 -3.384 1.00 0.00 C ATOM 177 NH1 ARG A 136 -4.386 8.563 -2.301 1.00 0.00 N ATOM 178 NH2 ARG A 136 -4.182 8.490 -4.585 1.00 0.00 N ATOM 0 H ARG A 136 -0.427 5.945 1.054 1.00 0.00 H new ATOM 0 HA ARG A 136 1.156 5.011 -1.028 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -0.348 7.492 -0.362 1.00 0.00 H new ATOM 0 HB3 ARG A 136 0.884 7.662 -1.597 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -0.348 6.561 -3.137 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -0.748 5.267 -2.026 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -2.777 6.149 -1.558 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -2.113 7.749 -1.291 1.00 0.00 H new ATOM 0 HE ARG A 136 -2.211 7.045 -4.121 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -4.056 8.293 -1.374 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -5.206 9.162 -2.396 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -3.695 8.164 -5.420 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -5.003 9.089 -4.674 1.00 0.00 H new ATOM 192 N LYS A 137 2.680 7.045 1.020 1.00 0.00 N ATOM 193 CA LYS A 137 3.970 7.596 1.399 1.00 0.00 C ATOM 194 C LYS A 137 4.907 6.482 1.838 1.00 0.00 C ATOM 195 O LYS A 137 6.093 6.478 1.506 1.00 0.00 O ATOM 196 CB LYS A 137 3.804 8.617 2.527 1.00 0.00 C ATOM 197 CG LYS A 137 5.085 9.360 2.867 1.00 0.00 C ATOM 198 CD LYS A 137 5.279 10.574 1.973 1.00 0.00 C ATOM 199 CE LYS A 137 6.124 11.637 2.654 1.00 0.00 C ATOM 200 NZ LYS A 137 5.471 12.162 3.886 1.00 0.00 N ATOM 0 H LYS A 137 1.951 7.161 1.724 1.00 0.00 H new ATOM 0 HA LYS A 137 4.400 8.099 0.533 1.00 0.00 H new ATOM 0 HB2 LYS A 137 3.039 9.340 2.242 1.00 0.00 H new ATOM 0 HB3 LYS A 137 3.443 8.105 3.419 1.00 0.00 H new ATOM 0 HG2 LYS A 137 5.058 9.676 3.910 1.00 0.00 H new ATOM 0 HG3 LYS A 137 5.936 8.688 2.759 1.00 0.00 H new ATOM 0 HD2 LYS A 137 5.757 10.269 1.042 1.00 0.00 H new ATOM 0 HD3 LYS A 137 4.308 10.993 1.710 1.00 0.00 H new ATOM 0 HE2 LYS A 137 7.097 11.218 2.910 1.00 0.00 H new ATOM 0 HE3 LYS A 137 6.303 12.458 1.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 5.376 13.195 3.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 4.529 11.734 3.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 6.052 11.924 4.715 1.00 0.00 H new ATOM 214 N TYR A 138 4.359 5.540 2.600 1.00 0.00 N ATOM 215 CA TYR A 138 5.137 4.418 3.103 1.00 0.00 C ATOM 216 C TYR A 138 5.613 3.529 1.962 1.00 0.00 C ATOM 217 O TYR A 138 6.793 3.191 1.877 1.00 0.00 O ATOM 218 CB TYR A 138 4.289 3.605 4.071 1.00 0.00 C ATOM 219 CG TYR A 138 4.987 2.366 4.572 1.00 0.00 C ATOM 220 CD1 TYR A 138 6.173 2.456 5.286 1.00 0.00 C ATOM 221 CD2 TYR A 138 4.469 1.106 4.314 1.00 0.00 C ATOM 222 CE1 TYR A 138 6.822 1.324 5.734 1.00 0.00 C ATOM 223 CE2 TYR A 138 5.110 -0.029 4.757 1.00 0.00 C ATOM 224 CZ TYR A 138 6.287 0.082 5.466 1.00 0.00 C ATOM 225 OH TYR A 138 6.930 -1.052 5.909 1.00 0.00 O ATOM 0 H TYR A 138 3.379 5.533 2.881 1.00 0.00 H new ATOM 0 HA TYR A 138 6.014 4.808 3.620 1.00 0.00 H new ATOM 0 HB2 TYR A 138 4.018 4.231 4.921 1.00 0.00 H new ATOM 0 HB3 TYR A 138 3.360 3.317 3.578 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.595 3.428 5.495 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.548 1.014 3.757 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.743 1.410 6.291 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.692 -1.003 4.550 1.00 0.00 H new ATOM 0 HH TYR A 138 6.355 -1.832 5.763 1.00 0.00 H new ATOM 235 N ALA A 139 4.697 3.181 1.068 1.00 0.00 N ATOM 236 CA ALA A 139 5.039 2.364 -0.083 1.00 0.00 C ATOM 237 C ALA A 139 5.981 3.147 -0.972 1.00 0.00 C ATOM 238 O ALA A 139 7.015 2.650 -1.405 1.00 0.00 O ATOM 239 CB ALA A 139 3.788 1.966 -0.854 1.00 0.00 C ATOM 0 H ALA A 139 3.715 3.452 1.119 1.00 0.00 H new ATOM 0 HA ALA A 139 5.525 1.449 0.254 1.00 0.00 H new ATOM 0 HB1 ALA A 139 4.068 1.355 -1.712 1.00 0.00 H new ATOM 0 HB2 ALA A 139 3.125 1.396 -0.203 1.00 0.00 H new ATOM 0 HB3 ALA A 139 3.273 2.862 -1.200 1.00 0.00 H new ATOM 245 N ARG A 140 5.623 4.399 -1.214 1.00 0.00 N ATOM 246 CA ARG A 140 6.437 5.281 -2.029 1.00 0.00 C ATOM 247 C ARG A 140 7.863 5.346 -1.486 1.00 0.00 C ATOM 248 O ARG A 140 8.820 5.508 -2.243 1.00 0.00 O ATOM 249 CB ARG A 140 5.811 6.673 -2.050 1.00 0.00 C ATOM 250 CG ARG A 140 6.618 7.709 -2.809 1.00 0.00 C ATOM 251 CD ARG A 140 5.718 8.807 -3.345 1.00 0.00 C ATOM 252 NE ARG A 140 5.712 8.847 -4.806 1.00 0.00 N ATOM 253 CZ ARG A 140 4.755 9.427 -5.527 1.00 0.00 C ATOM 254 NH1 ARG A 140 3.729 10.020 -4.930 1.00 0.00 N ATOM 255 NH2 ARG A 140 4.824 9.414 -6.852 1.00 0.00 N ATOM 0 H ARG A 140 4.769 4.826 -0.855 1.00 0.00 H new ATOM 0 HA ARG A 140 6.479 4.891 -3.046 1.00 0.00 H new ATOM 0 HB2 ARG A 140 4.818 6.605 -2.495 1.00 0.00 H new ATOM 0 HB3 ARG A 140 5.678 7.014 -1.023 1.00 0.00 H new ATOM 0 HG2 ARG A 140 7.374 8.140 -2.152 1.00 0.00 H new ATOM 0 HG3 ARG A 140 7.147 7.232 -3.634 1.00 0.00 H new ATOM 0 HD2 ARG A 140 4.702 8.652 -2.983 1.00 0.00 H new ATOM 0 HD3 ARG A 140 6.051 9.770 -2.958 1.00 0.00 H new ATOM 0 HE ARG A 140 6.486 8.405 -5.302 1.00 0.00 H new ATOM 0 HH11 ARG A 140 3.670 10.034 -3.912 1.00 0.00 H new ATOM 0 HH12 ARG A 140 3.000 10.462 -5.489 1.00 0.00 H new ATOM 0 HH21 ARG A 140 5.610 8.960 -7.317 1.00 0.00 H new ATOM 0 HH22 ARG A 140 4.091 9.858 -7.405 1.00 0.00 H new ATOM 269 N GLU A 141 7.994 5.212 -0.169 1.00 0.00 N ATOM 270 CA GLU A 141 9.297 5.248 0.480 1.00 0.00 C ATOM 271 C GLU A 141 9.962 3.881 0.447 1.00 0.00 C ATOM 272 O GLU A 141 11.176 3.770 0.278 1.00 0.00 O ATOM 273 CB GLU A 141 9.147 5.717 1.926 1.00 0.00 C ATOM 274 CG GLU A 141 8.937 7.215 2.066 1.00 0.00 C ATOM 275 CD GLU A 141 10.241 7.975 2.208 1.00 0.00 C ATOM 276 OE1 GLU A 141 11.162 7.730 1.401 1.00 0.00 O ATOM 277 OE2 GLU A 141 10.341 8.817 3.125 1.00 0.00 O ATOM 0 H GLU A 141 7.210 5.077 0.469 1.00 0.00 H new ATOM 0 HA GLU A 141 9.929 5.949 -0.065 1.00 0.00 H new ATOM 0 HB2 GLU A 141 8.304 5.197 2.381 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.038 5.431 2.485 1.00 0.00 H new ATOM 0 HG2 GLU A 141 8.398 7.586 1.194 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.310 7.411 2.936 1.00 0.00 H new ATOM 284 N LYS A 142 9.156 2.841 0.627 1.00 0.00 N ATOM 285 CA LYS A 142 9.656 1.476 0.636 1.00 0.00 C ATOM 286 C LYS A 142 9.789 0.904 -0.776 1.00 0.00 C ATOM 287 O LYS A 142 9.784 -0.312 -0.956 1.00 0.00 O ATOM 288 CB LYS A 142 8.704 0.603 1.454 1.00 0.00 C ATOM 289 CG LYS A 142 8.658 0.941 2.941 1.00 0.00 C ATOM 290 CD LYS A 142 10.027 1.312 3.488 1.00 0.00 C ATOM 291 CE LYS A 142 9.953 1.693 4.957 1.00 0.00 C ATOM 292 NZ LYS A 142 11.301 1.954 5.533 1.00 0.00 N ATOM 0 H LYS A 142 8.149 2.920 0.769 1.00 0.00 H new ATOM 0 HA LYS A 142 10.651 1.483 1.082 1.00 0.00 H new ATOM 0 HB2 LYS A 142 7.699 0.697 1.041 1.00 0.00 H new ATOM 0 HB3 LYS A 142 8.999 -0.440 1.340 1.00 0.00 H new ATOM 0 HG2 LYS A 142 7.968 1.769 3.103 1.00 0.00 H new ATOM 0 HG3 LYS A 142 8.267 0.087 3.494 1.00 0.00 H new ATOM 0 HD2 LYS A 142 10.710 0.472 3.362 1.00 0.00 H new ATOM 0 HD3 LYS A 142 10.436 2.144 2.915 1.00 0.00 H new ATOM 0 HE2 LYS A 142 9.332 2.581 5.070 1.00 0.00 H new ATOM 0 HE3 LYS A 142 9.469 0.892 5.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 11.206 2.211 6.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 11.886 1.098 5.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 11.754 2.735 5.017 1.00 0.00 H new ATOM 306 N GLY A 143 9.902 1.776 -1.777 1.00 0.00 N ATOM 307 CA GLY A 143 10.024 1.303 -3.149 1.00 0.00 C ATOM 308 C GLY A 143 8.831 0.464 -3.578 1.00 0.00 C ATOM 309 O GLY A 143 8.890 -0.256 -4.575 1.00 0.00 O ATOM 0 H GLY A 143 9.911 2.790 -1.666 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.124 2.158 -3.818 1.00 0.00 H new ATOM 0 HA3 GLY A 143 10.935 0.713 -3.248 1.00 0.00 H new ATOM 313 N VAL A 144 7.748 0.567 -2.817 1.00 0.00 N ATOM 314 CA VAL A 144 6.518 -0.163 -3.087 1.00 0.00 C ATOM 315 C VAL A 144 5.491 0.741 -3.754 1.00 0.00 C ATOM 316 O VAL A 144 5.305 1.888 -3.349 1.00 0.00 O ATOM 317 CB VAL A 144 5.903 -0.702 -1.782 1.00 0.00 C ATOM 318 CG1 VAL A 144 4.620 -1.467 -2.064 1.00 0.00 C ATOM 319 CG2 VAL A 144 6.900 -1.568 -1.032 1.00 0.00 C ATOM 0 H VAL A 144 7.699 1.163 -1.991 1.00 0.00 H new ATOM 0 HA VAL A 144 6.773 -0.992 -3.748 1.00 0.00 H new ATOM 0 HB VAL A 144 5.654 0.149 -1.148 1.00 0.00 H new ATOM 0 HG11 VAL A 144 4.204 -1.838 -1.127 1.00 0.00 H new ATOM 0 HG12 VAL A 144 3.899 -0.805 -2.544 1.00 0.00 H new ATOM 0 HG13 VAL A 144 4.835 -2.308 -2.724 1.00 0.00 H new ATOM 0 HG21 VAL A 144 6.443 -1.937 -0.114 1.00 0.00 H new ATOM 0 HG22 VAL A 144 7.191 -2.412 -1.657 1.00 0.00 H new ATOM 0 HG23 VAL A 144 7.782 -0.977 -0.786 1.00 0.00 H new ATOM 329 N ASP A 145 4.807 0.210 -4.753 1.00 0.00 N ATOM 330 CA ASP A 145 3.778 0.954 -5.448 1.00 0.00 C ATOM 331 C ASP A 145 2.441 0.272 -5.221 1.00 0.00 C ATOM 332 O ASP A 145 2.308 -0.930 -5.433 1.00 0.00 O ATOM 333 CB ASP A 145 4.088 1.051 -6.943 1.00 0.00 C ATOM 334 CG ASP A 145 3.119 1.955 -7.679 1.00 0.00 C ATOM 335 OD1 ASP A 145 1.921 1.955 -7.324 1.00 0.00 O ATOM 336 OD2 ASP A 145 3.557 2.663 -8.610 1.00 0.00 O ATOM 0 H ASP A 145 4.949 -0.739 -5.100 1.00 0.00 H new ATOM 0 HA ASP A 145 3.741 1.970 -5.056 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.103 1.426 -7.077 1.00 0.00 H new ATOM 0 HB3 ASP A 145 4.056 0.054 -7.383 1.00 0.00 H new ATOM 341 N ILE A 146 1.458 1.034 -4.769 1.00 0.00 N ATOM 342 CA ILE A 146 0.133 0.488 -4.496 1.00 0.00 C ATOM 343 C ILE A 146 -0.360 -0.388 -5.651 1.00 0.00 C ATOM 344 O ILE A 146 -1.165 -1.298 -5.449 1.00 0.00 O ATOM 345 CB ILE A 146 -0.891 1.613 -4.238 1.00 0.00 C ATOM 346 CG1 ILE A 146 -0.370 2.585 -3.174 1.00 0.00 C ATOM 347 CG2 ILE A 146 -2.230 1.030 -3.808 1.00 0.00 C ATOM 348 CD1 ILE A 146 -0.119 1.936 -1.829 1.00 0.00 C ATOM 0 H ILE A 146 1.550 2.033 -4.583 1.00 0.00 H new ATOM 0 HA ILE A 146 0.223 -0.127 -3.600 1.00 0.00 H new ATOM 0 HB ILE A 146 -1.034 2.162 -5.169 1.00 0.00 H new ATOM 0 HG12 ILE A 146 0.557 3.036 -3.529 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -1.090 3.393 -3.049 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -2.939 1.839 -3.631 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -2.612 0.378 -4.594 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -2.099 0.455 -2.891 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.248 2.684 -1.127 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -1.048 1.509 -1.452 1.00 0.00 H new ATOM 0 HD13 ILE A 146 0.624 1.146 -1.939 1.00 0.00 H new ATOM 360 N ARG A 147 0.136 -0.119 -6.858 1.00 0.00 N ATOM 361 CA ARG A 147 -0.258 -0.892 -8.033 1.00 0.00 C ATOM 362 C ARG A 147 0.161 -2.349 -7.879 1.00 0.00 C ATOM 363 O ARG A 147 -0.552 -3.263 -8.289 1.00 0.00 O ATOM 364 CB ARG A 147 0.370 -0.299 -9.295 1.00 0.00 C ATOM 365 CG ARG A 147 -0.191 1.065 -9.671 1.00 0.00 C ATOM 366 CD ARG A 147 -1.011 1.005 -10.952 1.00 0.00 C ATOM 367 NE ARG A 147 -0.588 2.015 -11.919 1.00 0.00 N ATOM 368 CZ ARG A 147 -0.871 1.963 -13.219 1.00 0.00 C ATOM 369 NH1 ARG A 147 -1.577 0.952 -13.711 1.00 0.00 N ATOM 370 NH2 ARG A 147 -0.447 2.923 -14.029 1.00 0.00 N ATOM 0 H ARG A 147 0.808 0.625 -7.047 1.00 0.00 H new ATOM 0 HA ARG A 147 -1.343 -0.848 -8.124 1.00 0.00 H new ATOM 0 HB2 ARG A 147 1.447 -0.212 -9.149 1.00 0.00 H new ATOM 0 HB3 ARG A 147 0.216 -0.988 -10.126 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -0.814 1.439 -8.858 1.00 0.00 H new ATOM 0 HG3 ARG A 147 0.628 1.773 -9.797 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -0.916 0.015 -11.397 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -2.065 1.149 -10.715 1.00 0.00 H new ATOM 0 HE ARG A 147 -0.043 2.807 -11.578 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -1.905 0.210 -13.092 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -1.791 0.917 -14.708 1.00 0.00 H new ATOM 0 HH21 ARG A 147 0.096 3.702 -13.656 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -0.664 2.883 -15.025 1.00 0.00 H new ATOM 384 N LEU A 148 1.323 -2.545 -7.275 1.00 0.00 N ATOM 385 CA LEU A 148 1.863 -3.873 -7.040 1.00 0.00 C ATOM 386 C LEU A 148 1.339 -4.448 -5.726 1.00 0.00 C ATOM 387 O LEU A 148 1.595 -5.606 -5.400 1.00 0.00 O ATOM 388 CB LEU A 148 3.392 -3.814 -7.002 1.00 0.00 C ATOM 389 CG LEU A 148 4.017 -2.623 -7.733 1.00 0.00 C ATOM 390 CD1 LEU A 148 5.523 -2.610 -7.559 1.00 0.00 C ATOM 391 CD2 LEU A 148 3.653 -2.653 -9.209 1.00 0.00 C ATOM 0 H LEU A 148 1.917 -1.788 -6.935 1.00 0.00 H new ATOM 0 HA LEU A 148 1.543 -4.522 -7.855 1.00 0.00 H new ATOM 0 HB2 LEU A 148 3.713 -3.790 -5.961 1.00 0.00 H new ATOM 0 HB3 LEU A 148 3.786 -4.733 -7.435 1.00 0.00 H new ATOM 0 HG LEU A 148 3.617 -1.709 -7.295 1.00 0.00 H new ATOM 0 HD11 LEU A 148 5.943 -1.754 -8.088 1.00 0.00 H new ATOM 0 HD12 LEU A 148 5.766 -2.537 -6.499 1.00 0.00 H new ATOM 0 HD13 LEU A 148 5.944 -3.530 -7.965 1.00 0.00 H new ATOM 0 HD21 LEU A 148 4.106 -1.799 -9.713 1.00 0.00 H new ATOM 0 HD22 LEU A 148 4.022 -3.576 -9.656 1.00 0.00 H new ATOM 0 HD23 LEU A 148 2.569 -2.606 -9.318 1.00 0.00 H new ATOM 403 N VAL A 149 0.616 -3.627 -4.965 1.00 0.00 N ATOM 404 CA VAL A 149 0.080 -4.056 -3.680 1.00 0.00 C ATOM 405 C VAL A 149 -1.444 -4.066 -3.685 1.00 0.00 C ATOM 406 O VAL A 149 -2.083 -3.034 -3.893 1.00 0.00 O ATOM 407 CB VAL A 149 0.574 -3.145 -2.538 1.00 0.00 C ATOM 408 CG1 VAL A 149 0.445 -3.849 -1.197 1.00 0.00 C ATOM 409 CG2 VAL A 149 2.012 -2.708 -2.778 1.00 0.00 C ATOM 0 H VAL A 149 0.390 -2.665 -5.218 1.00 0.00 H new ATOM 0 HA VAL A 149 0.440 -5.071 -3.513 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.053 -2.254 -2.519 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.799 -3.190 -0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -0.600 -4.103 -1.018 1.00 0.00 H new ATOM 0 HG13 VAL A 149 1.044 -4.760 -1.205 1.00 0.00 H new ATOM 0 HG21 VAL A 149 2.339 -2.066 -1.960 1.00 0.00 H new ATOM 0 HG22 VAL A 149 2.655 -3.586 -2.829 1.00 0.00 H new ATOM 0 HG23 VAL A 149 2.073 -2.158 -3.717 1.00 0.00 H new ATOM 419 N GLN A 150 -2.019 -5.240 -3.448 1.00 0.00 N ATOM 420 CA GLN A 150 -3.468 -5.390 -3.416 1.00 0.00 C ATOM 421 C GLN A 150 -4.020 -4.964 -2.061 1.00 0.00 C ATOM 422 O GLN A 150 -3.934 -5.708 -1.083 1.00 0.00 O ATOM 423 CB GLN A 150 -3.852 -6.842 -3.709 1.00 0.00 C ATOM 424 CG GLN A 150 -4.922 -6.982 -4.779 1.00 0.00 C ATOM 425 CD GLN A 150 -5.029 -8.396 -5.317 1.00 0.00 C ATOM 426 OE1 GLN A 150 -5.450 -9.312 -4.610 1.00 0.00 O ATOM 427 NE2 GLN A 150 -4.647 -8.580 -6.576 1.00 0.00 N ATOM 0 H GLN A 150 -1.502 -6.102 -3.275 1.00 0.00 H new ATOM 0 HA GLN A 150 -3.901 -4.747 -4.183 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -2.962 -7.389 -4.022 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -4.206 -7.309 -2.790 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -5.885 -6.681 -4.366 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -4.700 -6.301 -5.600 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -4.304 -7.792 -7.125 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -4.696 -9.509 -6.993 1.00 0.00 H new ATOM 436 N GLY A 151 -4.581 -3.761 -2.005 1.00 0.00 N ATOM 437 CA GLY A 151 -5.128 -3.259 -0.763 1.00 0.00 C ATOM 438 C GLY A 151 -6.498 -3.825 -0.452 1.00 0.00 C ATOM 439 O GLY A 151 -7.297 -4.067 -1.356 1.00 0.00 O ATOM 0 H GLY A 151 -4.666 -3.126 -2.799 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -4.447 -3.501 0.053 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.192 -2.172 -0.813 1.00 0.00 H new ATOM 443 N THR A 152 -6.768 -4.032 0.833 1.00 0.00 N ATOM 444 CA THR A 152 -8.051 -4.568 1.272 1.00 0.00 C ATOM 445 C THR A 152 -8.776 -3.568 2.172 1.00 0.00 C ATOM 446 O THR A 152 -9.587 -3.951 3.015 1.00 0.00 O ATOM 447 CB THR A 152 -7.847 -5.889 2.015 1.00 0.00 C ATOM 448 OG1 THR A 152 -6.534 -5.971 2.540 1.00 0.00 O ATOM 449 CG2 THR A 152 -8.069 -7.107 1.144 1.00 0.00 C ATOM 0 H THR A 152 -6.113 -3.836 1.590 1.00 0.00 H new ATOM 0 HA THR A 152 -8.665 -4.748 0.390 1.00 0.00 H new ATOM 0 HB THR A 152 -8.592 -5.890 2.810 1.00 0.00 H new ATOM 0 HG1 THR A 152 -6.423 -6.822 3.013 1.00 0.00 H new ATOM 0 HG21 THR A 152 -7.908 -8.010 1.733 1.00 0.00 H new ATOM 0 HG22 THR A 152 -9.090 -7.100 0.762 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.369 -7.089 0.309 1.00 0.00 H new ATOM 457 N GLY A 153 -8.469 -2.286 1.993 1.00 0.00 N ATOM 458 CA GLY A 153 -9.091 -1.252 2.801 1.00 0.00 C ATOM 459 C GLY A 153 -10.410 -0.766 2.232 1.00 0.00 C ATOM 460 O GLY A 153 -10.439 -0.094 1.202 1.00 0.00 O ATOM 0 H GLY A 153 -7.800 -1.945 1.302 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.256 -1.636 3.808 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.407 -0.408 2.890 1.00 0.00 H new ATOM 464 N LYS A 154 -11.500 -1.103 2.914 1.00 0.00 N ATOM 465 CA LYS A 154 -12.839 -0.700 2.488 1.00 0.00 C ATOM 466 C LYS A 154 -13.136 -1.163 1.061 1.00 0.00 C ATOM 467 O LYS A 154 -13.781 -2.192 0.857 1.00 0.00 O ATOM 468 CB LYS A 154 -12.999 0.821 2.599 1.00 0.00 C ATOM 469 CG LYS A 154 -14.066 1.246 3.594 1.00 0.00 C ATOM 470 CD LYS A 154 -13.454 1.816 4.863 1.00 0.00 C ATOM 471 CE LYS A 154 -13.398 3.334 4.820 1.00 0.00 C ATOM 472 NZ LYS A 154 -12.832 3.905 6.072 1.00 0.00 N ATOM 0 H LYS A 154 -11.483 -1.658 3.770 1.00 0.00 H new ATOM 0 HA LYS A 154 -13.558 -1.181 3.151 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -12.045 1.259 2.892 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -13.247 1.225 1.617 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -14.715 1.992 3.136 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -14.692 0.390 3.844 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -14.039 1.497 5.726 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -12.448 1.417 4.994 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -12.793 3.651 3.971 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -14.401 3.730 4.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -12.811 4.942 6.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -13.424 3.624 6.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -11.865 3.548 6.210 1.00 0.00 H new ATOM 486 N ASN A 155 -12.669 -0.399 0.077 1.00 0.00 N ATOM 487 CA ASN A 155 -12.893 -0.735 -1.324 1.00 0.00 C ATOM 488 C ASN A 155 -11.629 -1.307 -1.958 1.00 0.00 C ATOM 489 O ASN A 155 -11.408 -1.165 -3.161 1.00 0.00 O ATOM 490 CB ASN A 155 -13.351 0.502 -2.100 1.00 0.00 C ATOM 491 CG ASN A 155 -14.530 1.193 -1.442 1.00 0.00 C ATOM 492 OD1 ASN A 155 -14.250 2.002 -0.427 1.00 0.00 O flip ATOM 493 ND2 ASN A 155 -15.678 1.002 -1.842 1.00 0.00 N flip ATOM 0 H ASN A 155 -12.133 0.456 0.225 1.00 0.00 H new ATOM 0 HA ASN A 155 -13.674 -1.494 -1.368 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -12.521 1.204 -2.182 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -13.624 0.211 -3.114 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -15.847 0.371 -2.626 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -16.461 1.474 -1.390 1.00 0.00 H new ATOM 500 N GLY A 156 -10.805 -1.955 -1.142 1.00 0.00 N ATOM 501 CA GLY A 156 -9.575 -2.539 -1.643 1.00 0.00 C ATOM 502 C GLY A 156 -8.397 -1.588 -1.558 1.00 0.00 C ATOM 503 O GLY A 156 -7.443 -1.700 -2.328 1.00 0.00 O ATOM 0 H GLY A 156 -10.967 -2.086 -0.143 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.349 -3.442 -1.076 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -9.718 -2.842 -2.680 1.00 0.00 H new ATOM 507 N ARG A 157 -8.462 -0.648 -0.621 1.00 0.00 N ATOM 508 CA ARG A 157 -7.393 0.328 -0.439 1.00 0.00 C ATOM 509 C ARG A 157 -6.194 -0.303 0.260 1.00 0.00 C ATOM 510 O ARG A 157 -6.349 -1.097 1.188 1.00 0.00 O ATOM 511 CB ARG A 157 -7.904 1.525 0.367 1.00 0.00 C ATOM 512 CG ARG A 157 -6.843 2.577 0.639 1.00 0.00 C ATOM 513 CD ARG A 157 -7.439 3.819 1.285 1.00 0.00 C ATOM 514 NE ARG A 157 -7.504 3.700 2.741 1.00 0.00 N ATOM 515 CZ ARG A 157 -8.527 3.156 3.399 1.00 0.00 C ATOM 516 NH1 ARG A 157 -9.573 2.675 2.739 1.00 0.00 N ATOM 517 NH2 ARG A 157 -8.502 3.093 4.722 1.00 0.00 N ATOM 0 H ARG A 157 -9.244 -0.541 0.025 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.073 0.672 -1.422 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.731 1.987 -0.171 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -8.301 1.169 1.317 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -6.075 2.160 1.291 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.354 2.851 -0.296 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -6.840 4.690 1.019 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -8.441 3.988 0.890 1.00 0.00 H new ATOM 0 HE ARG A 157 -6.718 4.055 3.286 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -9.598 2.720 1.720 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -10.352 2.260 3.250 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -7.701 3.461 5.235 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -9.284 2.677 5.228 1.00 0.00 H new ATOM 531 N VAL A 158 -4.995 0.049 -0.195 1.00 0.00 N ATOM 532 CA VAL A 158 -3.770 -0.491 0.383 1.00 0.00 C ATOM 533 C VAL A 158 -3.476 0.127 1.743 1.00 0.00 C ATOM 534 O VAL A 158 -3.505 1.346 1.911 1.00 0.00 O ATOM 535 CB VAL A 158 -2.554 -0.279 -0.550 1.00 0.00 C ATOM 536 CG1 VAL A 158 -1.243 -0.577 0.170 1.00 0.00 C ATOM 537 CG2 VAL A 158 -2.678 -1.148 -1.788 1.00 0.00 C ATOM 0 H VAL A 158 -4.846 0.705 -0.962 1.00 0.00 H new ATOM 0 HA VAL A 158 -3.933 -1.562 0.507 1.00 0.00 H new ATOM 0 HB VAL A 158 -2.545 0.769 -0.850 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -0.409 -0.418 -0.513 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -1.140 0.087 1.028 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -1.242 -1.613 0.510 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -1.815 -0.987 -2.434 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -2.720 -2.197 -1.494 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -3.588 -0.886 -2.327 1.00 0.00 H new ATOM 547 N LEU A 159 -3.175 -0.735 2.701 1.00 0.00 N ATOM 548 CA LEU A 159 -2.848 -0.309 4.051 1.00 0.00 C ATOM 549 C LEU A 159 -1.353 -0.463 4.291 1.00 0.00 C ATOM 550 O LEU A 159 -0.675 -1.170 3.547 1.00 0.00 O ATOM 551 CB LEU A 159 -3.627 -1.149 5.065 1.00 0.00 C ATOM 552 CG LEU A 159 -5.149 -0.955 5.050 1.00 0.00 C ATOM 553 CD1 LEU A 159 -5.768 -1.476 6.337 1.00 0.00 C ATOM 554 CD2 LEU A 159 -5.508 0.510 4.840 1.00 0.00 C ATOM 0 H LEU A 159 -3.151 -1.746 2.565 1.00 0.00 H new ATOM 0 HA LEU A 159 -3.123 0.739 4.172 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -3.410 -2.201 4.882 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -3.258 -0.916 6.064 1.00 0.00 H new ATOM 0 HG LEU A 159 -5.554 -1.527 4.216 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -6.848 -1.329 6.307 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -5.549 -2.539 6.442 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -5.352 -0.934 7.186 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -6.592 0.622 4.833 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -5.087 1.107 5.649 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -5.102 0.851 3.888 1.00 0.00 H new ATOM 566 N LYS A 160 -0.833 0.181 5.328 1.00 0.00 N ATOM 567 CA LYS A 160 0.589 0.067 5.627 1.00 0.00 C ATOM 568 C LYS A 160 0.961 -1.401 5.789 1.00 0.00 C ATOM 569 O LYS A 160 2.069 -1.814 5.450 1.00 0.00 O ATOM 570 CB LYS A 160 0.951 0.850 6.889 1.00 0.00 C ATOM 571 CG LYS A 160 2.448 0.886 7.165 1.00 0.00 C ATOM 572 CD LYS A 160 2.789 0.230 8.495 1.00 0.00 C ATOM 573 CE LYS A 160 4.007 -0.676 8.377 1.00 0.00 C ATOM 574 NZ LYS A 160 5.080 -0.291 9.334 1.00 0.00 N ATOM 0 H LYS A 160 -1.362 0.777 5.965 1.00 0.00 H new ATOM 0 HA LYS A 160 1.153 0.493 4.798 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.581 1.871 6.794 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.441 0.405 7.743 1.00 0.00 H new ATOM 0 HG2 LYS A 160 2.979 0.377 6.361 1.00 0.00 H new ATOM 0 HG3 LYS A 160 2.793 1.920 7.170 1.00 0.00 H new ATOM 0 HD2 LYS A 160 2.979 1.000 9.243 1.00 0.00 H new ATOM 0 HD3 LYS A 160 1.935 -0.351 8.844 1.00 0.00 H new ATOM 0 HE2 LYS A 160 3.710 -1.709 8.560 1.00 0.00 H new ATOM 0 HE3 LYS A 160 4.395 -0.632 7.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 5.891 -0.932 9.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 5.381 0.686 9.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 4.718 -0.358 10.307 1.00 0.00 H new ATOM 588 N GLU A 161 0.010 -2.187 6.285 1.00 0.00 N ATOM 589 CA GLU A 161 0.221 -3.615 6.460 1.00 0.00 C ATOM 590 C GLU A 161 0.401 -4.266 5.098 1.00 0.00 C ATOM 591 O GLU A 161 1.227 -5.163 4.926 1.00 0.00 O ATOM 592 CB GLU A 161 -0.962 -4.248 7.197 1.00 0.00 C ATOM 593 CG GLU A 161 -1.308 -3.551 8.502 1.00 0.00 C ATOM 594 CD GLU A 161 -2.781 -3.655 8.845 1.00 0.00 C ATOM 595 OE1 GLU A 161 -3.575 -2.859 8.299 1.00 0.00 O ATOM 596 OE2 GLU A 161 -3.142 -4.531 9.659 1.00 0.00 O ATOM 0 H GLU A 161 -0.912 -1.857 6.572 1.00 0.00 H new ATOM 0 HA GLU A 161 1.118 -3.772 7.060 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -1.835 -4.234 6.545 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -0.734 -5.294 7.403 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -0.719 -3.986 9.309 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -1.028 -2.500 8.434 1.00 0.00 H new ATOM 603 N ASP A 162 -0.366 -3.784 4.121 1.00 0.00 N ATOM 604 CA ASP A 162 -0.279 -4.296 2.759 1.00 0.00 C ATOM 605 C ASP A 162 1.117 -4.050 2.206 1.00 0.00 C ATOM 606 O ASP A 162 1.766 -4.958 1.686 1.00 0.00 O ATOM 607 CB ASP A 162 -1.322 -3.623 1.868 1.00 0.00 C ATOM 608 CG ASP A 162 -2.649 -4.356 1.871 1.00 0.00 C ATOM 609 OD1 ASP A 162 -2.652 -5.580 1.622 1.00 0.00 O ATOM 610 OD2 ASP A 162 -3.684 -3.704 2.123 1.00 0.00 O ATOM 0 H ASP A 162 -1.053 -3.041 4.249 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.476 -5.368 2.773 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.476 -2.598 2.205 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -0.943 -3.569 0.848 1.00 0.00 H new ATOM 615 N ILE A 163 1.575 -2.810 2.341 1.00 0.00 N ATOM 616 CA ILE A 163 2.904 -2.419 1.877 1.00 0.00 C ATOM 617 C ILE A 163 3.969 -3.350 2.441 1.00 0.00 C ATOM 618 O ILE A 163 4.759 -3.933 1.699 1.00 0.00 O ATOM 619 CB ILE A 163 3.251 -0.979 2.309 1.00 0.00 C ATOM 620 CG1 ILE A 163 2.126 -0.016 1.939 1.00 0.00 C ATOM 621 CG2 ILE A 163 4.568 -0.534 1.679 1.00 0.00 C ATOM 622 CD1 ILE A 163 1.783 -0.045 0.477 1.00 0.00 C ATOM 0 H ILE A 163 1.043 -2.053 2.771 1.00 0.00 H new ATOM 0 HA ILE A 163 2.888 -2.480 0.789 1.00 0.00 H new ATOM 0 HB ILE A 163 3.366 -0.966 3.393 1.00 0.00 H new ATOM 0 HG12 ILE A 163 1.238 -0.264 2.520 1.00 0.00 H new ATOM 0 HG13 ILE A 163 2.416 0.997 2.218 1.00 0.00 H new ATOM 0 HG21 ILE A 163 4.797 0.484 1.995 1.00 0.00 H new ATOM 0 HG22 ILE A 163 5.368 -1.202 1.999 1.00 0.00 H new ATOM 0 HG23 ILE A 163 4.481 -0.566 0.593 1.00 0.00 H new ATOM 0 HD11 ILE A 163 0.977 0.661 0.278 1.00 0.00 H new ATOM 0 HD12 ILE A 163 2.660 0.232 -0.108 1.00 0.00 H new ATOM 0 HD13 ILE A 163 1.463 -1.049 0.198 1.00 0.00 H new ATOM 634 N ASP A 164 3.985 -3.477 3.764 1.00 0.00 N ATOM 635 CA ASP A 164 4.953 -4.329 4.439 1.00 0.00 C ATOM 636 C ASP A 164 4.875 -5.764 3.923 1.00 0.00 C ATOM 637 O ASP A 164 5.893 -6.376 3.601 1.00 0.00 O ATOM 638 CB ASP A 164 4.719 -4.305 5.951 1.00 0.00 C ATOM 639 CG ASP A 164 6.007 -4.433 6.738 1.00 0.00 C ATOM 640 OD1 ASP A 164 7.033 -3.877 6.293 1.00 0.00 O ATOM 641 OD2 ASP A 164 5.991 -5.089 7.801 1.00 0.00 O ATOM 0 H ASP A 164 3.336 -2.999 4.390 1.00 0.00 H new ATOM 0 HA ASP A 164 5.949 -3.941 4.225 1.00 0.00 H new ATOM 0 HB2 ASP A 164 4.221 -3.375 6.224 1.00 0.00 H new ATOM 0 HB3 ASP A 164 4.047 -5.118 6.225 1.00 0.00 H new ATOM 646 N ALA A 165 3.656 -6.294 3.847 1.00 0.00 N ATOM 647 CA ALA A 165 3.441 -7.656 3.370 1.00 0.00 C ATOM 648 C ALA A 165 3.959 -7.825 1.946 1.00 0.00 C ATOM 649 O ALA A 165 4.478 -8.881 1.584 1.00 0.00 O ATOM 650 CB ALA A 165 1.965 -8.013 3.444 1.00 0.00 C ATOM 0 H ALA A 165 2.803 -5.800 4.110 1.00 0.00 H new ATOM 0 HA ALA A 165 3.999 -8.335 4.015 1.00 0.00 H new ATOM 0 HB1 ALA A 165 1.819 -9.032 3.085 1.00 0.00 H new ATOM 0 HB2 ALA A 165 1.624 -7.940 4.477 1.00 0.00 H new ATOM 0 HB3 ALA A 165 1.392 -7.324 2.823 1.00 0.00 H new ATOM 656 N TRP A 166 3.820 -6.775 1.145 1.00 0.00 N ATOM 657 CA TRP A 166 4.276 -6.794 -0.236 1.00 0.00 C ATOM 658 C TRP A 166 5.771 -7.068 -0.295 1.00 0.00 C ATOM 659 O TRP A 166 6.220 -8.023 -0.930 1.00 0.00 O ATOM 660 CB TRP A 166 3.967 -5.448 -0.886 1.00 0.00 C ATOM 661 CG TRP A 166 4.220 -5.415 -2.358 1.00 0.00 C ATOM 662 CD1 TRP A 166 3.428 -5.919 -3.347 1.00 0.00 C ATOM 663 CD2 TRP A 166 5.350 -4.835 -3.005 1.00 0.00 C ATOM 664 NE1 TRP A 166 4.005 -5.686 -4.572 1.00 0.00 N ATOM 665 CE2 TRP A 166 5.187 -5.024 -4.387 1.00 0.00 C ATOM 666 CE3 TRP A 166 6.482 -4.176 -2.544 1.00 0.00 C ATOM 667 CZ2 TRP A 166 6.119 -4.577 -5.314 1.00 0.00 C ATOM 668 CZ3 TRP A 166 7.412 -3.727 -3.465 1.00 0.00 C ATOM 669 CH2 TRP A 166 7.225 -3.930 -4.839 1.00 0.00 C ATOM 0 H TRP A 166 3.392 -5.895 1.433 1.00 0.00 H new ATOM 0 HA TRP A 166 3.758 -7.588 -0.774 1.00 0.00 H new ATOM 0 HB2 TRP A 166 2.922 -5.197 -0.701 1.00 0.00 H new ATOM 0 HB3 TRP A 166 4.570 -4.677 -0.406 1.00 0.00 H new ATOM 0 HD1 TRP A 166 2.487 -6.426 -3.191 1.00 0.00 H new ATOM 0 HE1 TRP A 166 3.615 -5.962 -5.473 1.00 0.00 H new ATOM 0 HE3 TRP A 166 6.634 -4.017 -1.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 5.975 -4.735 -6.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 8.296 -3.212 -3.119 1.00 0.00 H new ATOM 0 HH2 TRP A 166 7.968 -3.569 -5.535 1.00 0.00 H new ATOM 680 N LEU A 167 6.533 -6.219 0.380 1.00 0.00 N ATOM 681 CA LEU A 167 7.984 -6.350 0.425 1.00 0.00 C ATOM 682 C LEU A 167 8.400 -7.684 1.041 1.00 0.00 C ATOM 683 O LEU A 167 9.513 -8.160 0.818 1.00 0.00 O ATOM 684 CB LEU A 167 8.590 -5.194 1.223 1.00 0.00 C ATOM 685 CG LEU A 167 8.254 -3.805 0.685 1.00 0.00 C ATOM 686 CD1 LEU A 167 8.324 -2.765 1.793 1.00 0.00 C ATOM 687 CD2 LEU A 167 9.190 -3.436 -0.454 1.00 0.00 C ATOM 0 H LEU A 167 6.168 -5.426 0.908 1.00 0.00 H new ATOM 0 HA LEU A 167 8.358 -6.318 -0.598 1.00 0.00 H new ATOM 0 HB2 LEU A 167 8.246 -5.263 2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 167 9.674 -5.310 1.240 1.00 0.00 H new ATOM 0 HG LEU A 167 7.234 -3.824 0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 167 8.081 -1.783 1.386 1.00 0.00 H new ATOM 0 HD12 LEU A 167 7.611 -3.020 2.577 1.00 0.00 H new ATOM 0 HD13 LEU A 167 9.331 -2.746 2.211 1.00 0.00 H new ATOM 0 HD21 LEU A 167 8.937 -2.443 -0.826 1.00 0.00 H new ATOM 0 HD22 LEU A 167 10.219 -3.437 -0.094 1.00 0.00 H new ATOM 0 HD23 LEU A 167 9.087 -4.163 -1.260 1.00 0.00 H new ATOM 699 N ALA A 168 7.500 -8.285 1.817 1.00 0.00 N ATOM 700 CA ALA A 168 7.781 -9.563 2.460 1.00 0.00 C ATOM 701 C ALA A 168 7.866 -10.688 1.434 1.00 0.00 C ATOM 702 O ALA A 168 8.518 -11.707 1.669 1.00 0.00 O ATOM 703 CB ALA A 168 6.714 -9.873 3.499 1.00 0.00 C ATOM 0 H ALA A 168 6.573 -7.907 2.014 1.00 0.00 H new ATOM 0 HA ALA A 168 8.748 -9.488 2.957 1.00 0.00 H new ATOM 0 HB1 ALA A 168 6.934 -10.830 3.973 1.00 0.00 H new ATOM 0 HB2 ALA A 168 6.703 -9.088 4.255 1.00 0.00 H new ATOM 0 HB3 ALA A 168 5.739 -9.924 3.015 1.00 0.00 H new