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 Set 1.1: A 138 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 142 LYS NZ :NH3+ -116:sc= 0.0345 (180deg=-0.215) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc= -0.145 X(o=-0.15,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=-0.0011) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 130 -5.551 3.209 -5.194 1.00 0.00 N ATOM 82 CA ILE A 130 -6.264 3.267 -3.924 1.00 0.00 C ATOM 83 C ILE A 130 -5.337 2.942 -2.760 1.00 0.00 C ATOM 84 O ILE A 130 -4.878 1.809 -2.609 1.00 0.00 O ATOM 85 CB ILE A 130 -7.465 2.303 -3.909 1.00 0.00 C ATOM 86 CG1 ILE A 130 -8.353 2.559 -5.124 1.00 0.00 C ATOM 87 CG2 ILE A 130 -8.265 2.464 -2.624 1.00 0.00 C ATOM 88 CD1 ILE A 130 -8.073 1.629 -6.285 1.00 0.00 C ATOM 0 HA ILE A 130 -6.633 4.287 -3.811 1.00 0.00 H new ATOM 0 HB ILE A 130 -7.092 1.280 -3.953 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -9.397 2.455 -4.829 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -8.216 3.589 -5.453 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -9.109 1.775 -2.632 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -7.626 2.246 -1.768 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -8.633 3.487 -2.550 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -8.741 1.869 -7.112 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -7.039 1.750 -6.607 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -8.238 0.598 -5.973 1.00 0.00 H new ATOM 100 N ALA A 131 -5.067 3.949 -1.939 1.00 0.00 N ATOM 101 CA ALA A 131 -4.193 3.785 -0.784 1.00 0.00 C ATOM 102 C ALA A 131 -4.325 4.960 0.177 1.00 0.00 C ATOM 103 O ALA A 131 -4.609 6.085 -0.237 1.00 0.00 O ATOM 104 CB ALA A 131 -2.750 3.630 -1.237 1.00 0.00 C ATOM 0 H ALA A 131 -5.442 4.891 -2.052 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.497 2.883 -0.253 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.106 3.508 -0.366 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -2.662 2.753 -1.878 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.446 4.517 -1.792 1.00 0.00 H new ATOM 110 N MET A 132 -4.117 4.693 1.461 1.00 0.00 N ATOM 111 CA MET A 132 -4.209 5.730 2.482 1.00 0.00 C ATOM 112 C MET A 132 -3.123 6.785 2.280 1.00 0.00 C ATOM 113 O MET A 132 -2.076 6.504 1.695 1.00 0.00 O ATOM 114 CB MET A 132 -4.089 5.109 3.876 1.00 0.00 C ATOM 115 CG MET A 132 -5.427 4.755 4.505 1.00 0.00 C ATOM 116 SD MET A 132 -6.317 6.201 5.110 1.00 0.00 S ATOM 117 CE MET A 132 -6.754 5.663 6.762 1.00 0.00 C ATOM 0 H MET A 132 -3.883 3.767 1.820 1.00 0.00 H new ATOM 0 HA MET A 132 -5.181 6.216 2.393 1.00 0.00 H new ATOM 0 HB2 MET A 132 -3.478 4.208 3.811 1.00 0.00 H new ATOM 0 HB3 MET A 132 -3.563 5.805 4.530 1.00 0.00 H new ATOM 0 HG2 MET A 132 -6.043 4.236 3.771 1.00 0.00 H new ATOM 0 HG3 MET A 132 -5.264 4.063 5.331 1.00 0.00 H new ATOM 0 HE1 MET A 132 -7.311 6.453 7.266 1.00 0.00 H new ATOM 0 HE2 MET A 132 -7.370 4.766 6.701 1.00 0.00 H new ATOM 0 HE3 MET A 132 -5.847 5.443 7.325 1.00 0.00 H new ATOM 127 N PRO A 133 -3.359 8.020 2.756 1.00 0.00 N ATOM 128 CA PRO A 133 -2.397 9.120 2.619 1.00 0.00 C ATOM 129 C PRO A 133 -1.035 8.784 3.220 1.00 0.00 C ATOM 130 O PRO A 133 0.000 9.226 2.721 1.00 0.00 O ATOM 131 CB PRO A 133 -3.050 10.272 3.389 1.00 0.00 C ATOM 132 CG PRO A 133 -4.502 9.942 3.410 1.00 0.00 C ATOM 133 CD PRO A 133 -4.582 8.444 3.462 1.00 0.00 C ATOM 0 HA PRO A 133 -2.197 9.350 1.573 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -2.648 10.351 4.399 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -2.869 11.228 2.898 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -4.992 10.390 4.275 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -5.004 10.330 2.523 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -4.603 8.077 4.488 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -5.481 8.071 2.971 1.00 0.00 H new ATOM 141 N SER A 134 -1.043 8.004 4.296 1.00 0.00 N ATOM 142 CA SER A 134 0.193 7.615 4.964 1.00 0.00 C ATOM 143 C SER A 134 0.827 6.405 4.285 1.00 0.00 C ATOM 144 O SER A 134 2.051 6.275 4.243 1.00 0.00 O ATOM 145 CB SER A 134 -0.077 7.303 6.437 1.00 0.00 C ATOM 146 OG SER A 134 1.012 7.701 7.252 1.00 0.00 O ATOM 0 H SER A 134 -1.890 7.630 4.723 1.00 0.00 H new ATOM 0 HA SER A 134 0.890 8.451 4.896 1.00 0.00 H new ATOM 0 HB2 SER A 134 -0.983 7.816 6.760 1.00 0.00 H new ATOM 0 HB3 SER A 134 -0.255 6.234 6.559 1.00 0.00 H new ATOM 0 HG SER A 134 0.813 7.492 8.189 1.00 0.00 H new ATOM 152 N VAL A 135 -0.011 5.521 3.755 1.00 0.00 N ATOM 153 CA VAL A 135 0.473 4.322 3.082 1.00 0.00 C ATOM 154 C VAL A 135 1.164 4.664 1.776 1.00 0.00 C ATOM 155 O VAL A 135 2.241 4.154 1.484 1.00 0.00 O ATOM 156 CB VAL A 135 -0.666 3.334 2.797 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.128 2.070 2.143 1.00 0.00 C ATOM 158 CG2 VAL A 135 -1.404 3.009 4.078 1.00 0.00 C ATOM 0 H VAL A 135 -1.027 5.612 3.778 1.00 0.00 H new ATOM 0 HA VAL A 135 1.188 3.855 3.759 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.367 3.797 2.103 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -0.951 1.382 1.949 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.360 2.326 1.203 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.593 1.595 2.808 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.210 2.307 3.865 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -0.713 2.562 4.793 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -1.821 3.924 4.500 1.00 0.00 H new ATOM 168 N ARG A 136 0.543 5.531 0.992 1.00 0.00 N ATOM 169 CA ARG A 136 1.118 5.933 -0.281 1.00 0.00 C ATOM 170 C ARG A 136 2.530 6.458 -0.064 1.00 0.00 C ATOM 171 O ARG A 136 3.403 6.300 -0.914 1.00 0.00 O ATOM 172 CB ARG A 136 0.252 7.008 -0.944 1.00 0.00 C ATOM 173 CG ARG A 136 -0.865 6.443 -1.806 1.00 0.00 C ATOM 174 CD ARG A 136 -1.755 7.544 -2.359 1.00 0.00 C ATOM 175 NE ARG A 136 -3.078 7.544 -1.738 1.00 0.00 N ATOM 176 CZ ARG A 136 -4.091 8.301 -2.153 1.00 0.00 C ATOM 177 NH1 ARG A 136 -3.937 9.120 -3.186 1.00 0.00 N ATOM 178 NH2 ARG A 136 -5.261 8.239 -1.533 1.00 0.00 N ATOM 0 H ARG A 136 -0.352 5.967 1.213 1.00 0.00 H new ATOM 0 HA ARG A 136 1.156 5.066 -0.940 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -0.182 7.641 -0.170 1.00 0.00 H new ATOM 0 HB3 ARG A 136 0.887 7.646 -1.559 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -0.437 5.872 -2.630 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -1.466 5.750 -1.217 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -1.279 8.511 -2.197 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.861 7.418 -3.436 1.00 0.00 H new ATOM 0 HE ARG A 136 -3.234 6.928 -0.940 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -3.039 9.172 -3.666 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -4.717 9.698 -3.500 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -5.384 7.611 -0.738 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -6.038 8.819 -1.850 1.00 0.00 H new ATOM 192 N LYS A 137 2.746 7.059 1.101 1.00 0.00 N ATOM 193 CA LYS A 137 4.050 7.587 1.463 1.00 0.00 C ATOM 194 C LYS A 137 4.969 6.456 1.897 1.00 0.00 C ATOM 195 O LYS A 137 6.163 6.456 1.594 1.00 0.00 O ATOM 196 CB LYS A 137 3.919 8.616 2.587 1.00 0.00 C ATOM 197 CG LYS A 137 5.223 9.321 2.922 1.00 0.00 C ATOM 198 CD LYS A 137 5.612 10.323 1.844 1.00 0.00 C ATOM 199 CE LYS A 137 5.859 11.705 2.427 1.00 0.00 C ATOM 200 NZ LYS A 137 7.312 11.994 2.576 1.00 0.00 N ATOM 0 H LYS A 137 2.028 7.192 1.813 1.00 0.00 H new ATOM 0 HA LYS A 137 4.479 8.079 0.590 1.00 0.00 H new ATOM 0 HB2 LYS A 137 3.176 9.361 2.302 1.00 0.00 H new ATOM 0 HB3 LYS A 137 3.544 8.119 3.482 1.00 0.00 H new ATOM 0 HG2 LYS A 137 5.124 9.835 3.878 1.00 0.00 H new ATOM 0 HG3 LYS A 137 6.017 8.583 3.037 1.00 0.00 H new ATOM 0 HD2 LYS A 137 6.510 9.977 1.332 1.00 0.00 H new ATOM 0 HD3 LYS A 137 4.821 10.379 1.096 1.00 0.00 H new ATOM 0 HE2 LYS A 137 5.404 12.457 1.783 1.00 0.00 H new ATOM 0 HE3 LYS A 137 5.372 11.781 3.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 7.437 12.946 2.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 7.742 11.292 3.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 7.773 11.947 1.645 1.00 0.00 H new ATOM 214 N TYR A 138 4.400 5.496 2.621 1.00 0.00 N ATOM 215 CA TYR A 138 5.168 4.363 3.110 1.00 0.00 C ATOM 216 C TYR A 138 5.648 3.486 1.960 1.00 0.00 C ATOM 217 O TYR A 138 6.823 3.138 1.890 1.00 0.00 O ATOM 218 CB TYR A 138 4.322 3.536 4.070 1.00 0.00 C ATOM 219 CG TYR A 138 5.029 2.293 4.546 1.00 0.00 C ATOM 220 CD1 TYR A 138 6.218 2.376 5.259 1.00 0.00 C ATOM 221 CD2 TYR A 138 4.518 1.036 4.263 1.00 0.00 C ATOM 222 CE1 TYR A 138 6.876 1.237 5.679 1.00 0.00 C ATOM 223 CE2 TYR A 138 5.169 -0.104 4.676 1.00 0.00 C ATOM 224 CZ TYR A 138 6.347 -0.002 5.386 1.00 0.00 C ATOM 225 OH TYR A 138 7.000 -1.141 5.800 1.00 0.00 O ATOM 0 H TYR A 138 3.413 5.483 2.879 1.00 0.00 H new ATOM 0 HA TYR A 138 6.042 4.748 3.634 1.00 0.00 H new ATOM 0 HB2 TYR A 138 4.053 4.148 4.931 1.00 0.00 H new ATOM 0 HB3 TYR A 138 3.392 3.254 3.577 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.634 3.346 5.488 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.594 0.950 3.710 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.799 1.316 6.234 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.759 -1.076 4.445 1.00 0.00 H new ATOM 0 HH TYR A 138 6.495 -1.930 5.514 1.00 0.00 H new ATOM 235 N ALA A 139 4.743 3.154 1.046 1.00 0.00 N ATOM 236 CA ALA A 139 5.104 2.350 -0.111 1.00 0.00 C ATOM 237 C ALA A 139 6.036 3.156 -0.993 1.00 0.00 C ATOM 238 O ALA A 139 7.070 2.671 -1.439 1.00 0.00 O ATOM 239 CB ALA A 139 3.867 1.927 -0.890 1.00 0.00 C ATOM 0 H ALA A 139 3.761 3.428 1.085 1.00 0.00 H new ATOM 0 HA ALA A 139 5.606 1.442 0.225 1.00 0.00 H new ATOM 0 HB1 ALA A 139 4.166 1.327 -1.750 1.00 0.00 H new ATOM 0 HB2 ALA A 139 3.215 1.338 -0.245 1.00 0.00 H new ATOM 0 HB3 ALA A 139 3.333 2.813 -1.234 1.00 0.00 H new ATOM 245 N ARG A 140 5.666 4.412 -1.214 1.00 0.00 N ATOM 246 CA ARG A 140 6.474 5.313 -2.017 1.00 0.00 C ATOM 247 C ARG A 140 7.897 5.374 -1.467 1.00 0.00 C ATOM 248 O ARG A 140 8.860 5.540 -2.215 1.00 0.00 O ATOM 249 CB ARG A 140 5.843 6.705 -2.015 1.00 0.00 C ATOM 250 CG ARG A 140 6.641 7.748 -2.778 1.00 0.00 C ATOM 251 CD ARG A 140 5.727 8.662 -3.572 1.00 0.00 C ATOM 252 NE ARG A 140 6.325 9.073 -4.839 1.00 0.00 N ATOM 253 CZ ARG A 140 7.220 10.052 -4.955 1.00 0.00 C ATOM 254 NH1 ARG A 140 7.624 10.722 -3.884 1.00 0.00 N ATOM 255 NH2 ARG A 140 7.711 10.362 -6.148 1.00 0.00 N ATOM 0 H ARG A 140 4.810 4.827 -0.846 1.00 0.00 H new ATOM 0 HA ARG A 140 6.516 4.943 -3.041 1.00 0.00 H new ATOM 0 HB2 ARG A 140 4.844 6.640 -2.446 1.00 0.00 H new ATOM 0 HB3 ARG A 140 5.724 7.037 -0.984 1.00 0.00 H new ATOM 0 HG2 ARG A 140 7.234 8.339 -2.080 1.00 0.00 H new ATOM 0 HG3 ARG A 140 7.341 7.254 -3.452 1.00 0.00 H new ATOM 0 HD2 ARG A 140 4.784 8.151 -3.766 1.00 0.00 H new ATOM 0 HD3 ARG A 140 5.494 9.546 -2.978 1.00 0.00 H new ATOM 0 HE ARG A 140 6.040 8.581 -5.686 1.00 0.00 H new ATOM 0 HH11 ARG A 140 7.249 10.488 -2.965 1.00 0.00 H new ATOM 0 HH12 ARG A 140 8.310 11.471 -3.980 1.00 0.00 H new ATOM 0 HH21 ARG A 140 7.403 9.851 -6.975 1.00 0.00 H new ATOM 0 HH22 ARG A 140 8.397 11.112 -6.238 1.00 0.00 H new ATOM 269 N GLU A 141 8.014 5.226 -0.149 1.00 0.00 N ATOM 270 CA GLU A 141 9.305 5.249 0.520 1.00 0.00 C ATOM 271 C GLU A 141 9.965 3.875 0.484 1.00 0.00 C ATOM 272 O GLU A 141 11.183 3.761 0.349 1.00 0.00 O ATOM 273 CB GLU A 141 9.131 5.700 1.969 1.00 0.00 C ATOM 274 CG GLU A 141 8.929 7.197 2.121 1.00 0.00 C ATOM 275 CD GLU A 141 10.213 7.982 1.926 1.00 0.00 C ATOM 276 OE1 GLU A 141 11.102 7.890 2.797 1.00 0.00 O ATOM 277 OE2 GLU A 141 10.327 8.687 0.902 1.00 0.00 O ATOM 0 H GLU A 141 7.221 5.088 0.478 1.00 0.00 H new ATOM 0 HA GLU A 141 9.949 5.953 -0.007 1.00 0.00 H new ATOM 0 HB2 GLU A 141 8.276 5.181 2.402 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.009 5.401 2.542 1.00 0.00 H new ATOM 0 HG2 GLU A 141 8.187 7.535 1.397 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.526 7.407 3.112 1.00 0.00 H new ATOM 284 N LYS A 142 9.150 2.834 0.625 1.00 0.00 N ATOM 285 CA LYS A 142 9.640 1.461 0.630 1.00 0.00 C ATOM 286 C LYS A 142 9.857 0.932 -0.789 1.00 0.00 C ATOM 287 O LYS A 142 9.889 -0.281 -1.002 1.00 0.00 O ATOM 288 CB LYS A 142 8.634 0.562 1.358 1.00 0.00 C ATOM 289 CG LYS A 142 8.574 0.717 2.881 1.00 0.00 C ATOM 290 CD LYS A 142 9.464 1.829 3.430 1.00 0.00 C ATOM 291 CE LYS A 142 10.715 1.269 4.082 1.00 0.00 C ATOM 292 NZ LYS A 142 10.406 0.530 5.337 1.00 0.00 N ATOM 0 H LYS A 142 8.140 2.917 0.738 1.00 0.00 H new ATOM 0 HA LYS A 142 10.601 1.450 1.145 1.00 0.00 H new ATOM 0 HB2 LYS A 142 7.641 0.759 0.953 1.00 0.00 H new ATOM 0 HB3 LYS A 142 8.872 -0.476 1.127 1.00 0.00 H new ATOM 0 HG2 LYS A 142 7.543 0.913 3.175 1.00 0.00 H new ATOM 0 HG3 LYS A 142 8.863 -0.227 3.343 1.00 0.00 H new ATOM 0 HD2 LYS A 142 9.745 2.504 2.622 1.00 0.00 H new ATOM 0 HD3 LYS A 142 8.905 2.418 4.158 1.00 0.00 H new ATOM 0 HE2 LYS A 142 11.220 0.602 3.384 1.00 0.00 H new ATOM 0 HE3 LYS A 142 11.405 2.084 4.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 10.845 1.018 6.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 9.376 0.493 5.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 10.781 -0.438 5.272 1.00 0.00 H new ATOM 306 N GLY A 143 9.993 1.834 -1.760 1.00 0.00 N ATOM 307 CA GLY A 143 10.190 1.407 -3.135 1.00 0.00 C ATOM 308 C GLY A 143 9.036 0.561 -3.642 1.00 0.00 C ATOM 309 O GLY A 143 9.172 -0.168 -4.625 1.00 0.00 O ATOM 0 H GLY A 143 9.970 2.844 -1.620 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.304 2.283 -3.773 1.00 0.00 H new ATOM 0 HA3 GLY A 143 11.116 0.837 -3.208 1.00 0.00 H new ATOM 313 N VAL A 144 7.899 0.660 -2.962 1.00 0.00 N ATOM 314 CA VAL A 144 6.706 -0.091 -3.326 1.00 0.00 C ATOM 315 C VAL A 144 5.635 0.831 -3.897 1.00 0.00 C ATOM 316 O VAL A 144 5.475 1.968 -3.453 1.00 0.00 O ATOM 317 CB VAL A 144 6.131 -0.836 -2.102 1.00 0.00 C ATOM 318 CG1 VAL A 144 4.748 -1.400 -2.400 1.00 0.00 C ATOM 319 CG2 VAL A 144 7.079 -1.939 -1.658 1.00 0.00 C ATOM 0 H VAL A 144 7.780 1.261 -2.146 1.00 0.00 H new ATOM 0 HA VAL A 144 6.997 -0.817 -4.086 1.00 0.00 H new ATOM 0 HB VAL A 144 6.028 -0.119 -1.288 1.00 0.00 H new ATOM 0 HG11 VAL A 144 4.369 -1.919 -1.519 1.00 0.00 H new ATOM 0 HG12 VAL A 144 4.072 -0.586 -2.661 1.00 0.00 H new ATOM 0 HG13 VAL A 144 4.812 -2.099 -3.234 1.00 0.00 H new ATOM 0 HG21 VAL A 144 6.659 -2.454 -0.794 1.00 0.00 H new ATOM 0 HG22 VAL A 144 7.217 -2.650 -2.473 1.00 0.00 H new ATOM 0 HG23 VAL A 144 8.042 -1.505 -1.388 1.00 0.00 H new ATOM 329 N ASP A 145 4.895 0.325 -4.874 1.00 0.00 N ATOM 330 CA ASP A 145 3.828 1.087 -5.500 1.00 0.00 C ATOM 331 C ASP A 145 2.485 0.418 -5.241 1.00 0.00 C ATOM 332 O ASP A 145 2.334 -0.786 -5.444 1.00 0.00 O ATOM 333 CB ASP A 145 4.072 1.216 -7.005 1.00 0.00 C ATOM 334 CG ASP A 145 3.209 2.287 -7.640 1.00 0.00 C ATOM 335 OD1 ASP A 145 1.969 2.204 -7.512 1.00 0.00 O ATOM 336 OD2 ASP A 145 3.773 3.211 -8.265 1.00 0.00 O ATOM 0 H ASP A 145 5.017 -0.615 -5.250 1.00 0.00 H new ATOM 0 HA ASP A 145 3.815 2.086 -5.065 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.122 1.448 -7.182 1.00 0.00 H new ATOM 0 HB3 ASP A 145 3.871 0.259 -7.486 1.00 0.00 H new ATOM 341 N ILE A 146 1.513 1.200 -4.792 1.00 0.00 N ATOM 342 CA ILE A 146 0.182 0.678 -4.506 1.00 0.00 C ATOM 343 C ILE A 146 -0.352 -0.145 -5.679 1.00 0.00 C ATOM 344 O ILE A 146 -1.210 -1.011 -5.501 1.00 0.00 O ATOM 345 CB ILE A 146 -0.814 1.813 -4.191 1.00 0.00 C ATOM 346 CG1 ILE A 146 -0.274 2.708 -3.072 1.00 0.00 C ATOM 347 CG2 ILE A 146 -2.170 1.242 -3.803 1.00 0.00 C ATOM 348 CD1 ILE A 146 -0.146 2.001 -1.738 1.00 0.00 C ATOM 0 H ILE A 146 1.620 2.199 -4.618 1.00 0.00 H new ATOM 0 HA ILE A 146 0.277 0.037 -3.630 1.00 0.00 H new ATOM 0 HB ILE A 146 -0.937 2.418 -5.089 1.00 0.00 H new ATOM 0 HG12 ILE A 146 0.703 3.092 -3.365 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -0.933 3.568 -2.956 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -2.859 2.058 -3.584 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -2.563 0.646 -4.627 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -2.061 0.613 -2.920 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.242 2.696 -0.994 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -1.125 1.640 -1.422 1.00 0.00 H new ATOM 0 HD13 ILE A 146 0.537 1.157 -1.837 1.00 0.00 H new ATOM 360 N ARG A 147 0.163 0.124 -6.877 1.00 0.00 N ATOM 361 CA ARG A 147 -0.267 -0.598 -8.070 1.00 0.00 C ATOM 362 C ARG A 147 0.090 -2.074 -7.959 1.00 0.00 C ATOM 363 O ARG A 147 -0.654 -2.942 -8.414 1.00 0.00 O ATOM 364 CB ARG A 147 0.378 0.005 -9.318 1.00 0.00 C ATOM 365 CG ARG A 147 -0.491 1.041 -10.012 1.00 0.00 C ATOM 366 CD ARG A 147 0.322 1.909 -10.960 1.00 0.00 C ATOM 367 NE ARG A 147 0.054 3.332 -10.766 1.00 0.00 N ATOM 368 CZ ARG A 147 0.339 4.270 -11.667 1.00 0.00 C ATOM 369 NH1 ARG A 147 0.902 3.938 -12.823 1.00 0.00 N ATOM 370 NH2 ARG A 147 0.062 5.541 -11.412 1.00 0.00 N ATOM 0 H ARG A 147 0.876 0.834 -7.046 1.00 0.00 H new ATOM 0 HA ARG A 147 -1.350 -0.507 -8.154 1.00 0.00 H new ATOM 0 HB2 ARG A 147 1.326 0.466 -9.040 1.00 0.00 H new ATOM 0 HB3 ARG A 147 0.606 -0.796 -10.022 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -1.284 0.539 -10.567 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -0.974 1.671 -9.265 1.00 0.00 H new ATOM 0 HD2 ARG A 147 1.384 1.716 -10.807 1.00 0.00 H new ATOM 0 HD3 ARG A 147 0.093 1.634 -11.990 1.00 0.00 H new ATOM 0 HE ARG A 147 -0.377 3.624 -9.889 1.00 0.00 H new ATOM 0 HH11 ARG A 147 1.118 2.961 -13.023 1.00 0.00 H new ATOM 0 HH12 ARG A 147 1.119 4.660 -13.511 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -0.370 5.801 -10.525 1.00 0.00 H new ATOM 0 HH22 ARG A 147 0.281 6.259 -12.103 1.00 0.00 H new ATOM 384 N LEU A 148 1.235 -2.347 -7.348 1.00 0.00 N ATOM 385 CA LEU A 148 1.703 -3.712 -7.167 1.00 0.00 C ATOM 386 C LEU A 148 1.144 -4.319 -5.881 1.00 0.00 C ATOM 387 O LEU A 148 1.428 -5.472 -5.556 1.00 0.00 O ATOM 388 CB LEU A 148 3.231 -3.747 -7.134 1.00 0.00 C ATOM 389 CG LEU A 148 3.928 -2.555 -7.791 1.00 0.00 C ATOM 390 CD1 LEU A 148 5.428 -2.642 -7.592 1.00 0.00 C ATOM 391 CD2 LEU A 148 3.585 -2.487 -9.272 1.00 0.00 C ATOM 0 H LEU A 148 1.859 -1.636 -6.968 1.00 0.00 H new ATOM 0 HA LEU A 148 1.347 -4.304 -8.010 1.00 0.00 H new ATOM 0 HB2 LEU A 148 3.554 -3.808 -6.095 1.00 0.00 H new ATOM 0 HB3 LEU A 148 3.567 -4.660 -7.626 1.00 0.00 H new ATOM 0 HG LEU A 148 3.572 -1.641 -7.315 1.00 0.00 H new ATOM 0 HD11 LEU A 148 5.908 -1.786 -8.066 1.00 0.00 H new ATOM 0 HD12 LEU A 148 5.654 -2.641 -6.526 1.00 0.00 H new ATOM 0 HD13 LEU A 148 5.802 -3.562 -8.041 1.00 0.00 H new ATOM 0 HD21 LEU A 148 4.090 -1.633 -9.723 1.00 0.00 H new ATOM 0 HD22 LEU A 148 3.912 -3.403 -9.764 1.00 0.00 H new ATOM 0 HD23 LEU A 148 2.507 -2.376 -9.391 1.00 0.00 H new ATOM 403 N VAL A 149 0.356 -3.536 -5.147 1.00 0.00 N ATOM 404 CA VAL A 149 -0.227 -4.003 -3.896 1.00 0.00 C ATOM 405 C VAL A 149 -1.749 -4.048 -3.976 1.00 0.00 C ATOM 406 O VAL A 149 -2.387 -3.086 -4.405 1.00 0.00 O ATOM 407 CB VAL A 149 0.187 -3.103 -2.716 1.00 0.00 C ATOM 408 CG1 VAL A 149 -0.125 -3.781 -1.392 1.00 0.00 C ATOM 409 CG2 VAL A 149 1.664 -2.746 -2.803 1.00 0.00 C ATOM 0 H VAL A 149 0.109 -2.579 -5.398 1.00 0.00 H new ATOM 0 HA VAL A 149 0.152 -5.011 -3.729 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.389 -2.179 -2.772 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.174 -3.130 -0.570 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -1.195 -3.978 -1.327 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.422 -4.722 -1.327 1.00 0.00 H new ATOM 0 HG21 VAL A 149 1.935 -2.110 -1.960 1.00 0.00 H new ATOM 0 HG22 VAL A 149 2.261 -3.658 -2.776 1.00 0.00 H new ATOM 0 HG23 VAL A 149 1.855 -2.214 -3.735 1.00 0.00 H new ATOM 419 N GLN A 150 -2.326 -5.170 -3.557 1.00 0.00 N ATOM 420 CA GLN A 150 -3.775 -5.340 -3.578 1.00 0.00 C ATOM 421 C GLN A 150 -4.391 -4.859 -2.268 1.00 0.00 C ATOM 422 O GLN A 150 -4.272 -5.519 -1.235 1.00 0.00 O ATOM 423 CB GLN A 150 -4.137 -6.806 -3.822 1.00 0.00 C ATOM 424 CG GLN A 150 -5.234 -6.998 -4.855 1.00 0.00 C ATOM 425 CD GLN A 150 -5.536 -8.460 -5.119 1.00 0.00 C ATOM 426 OE1 GLN A 150 -6.686 -8.893 -5.038 1.00 0.00 O ATOM 427 NE2 GLN A 150 -4.503 -9.230 -5.437 1.00 0.00 N ATOM 0 H GLN A 150 -1.812 -5.975 -3.199 1.00 0.00 H new ATOM 0 HA GLN A 150 -4.178 -4.739 -4.393 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -3.246 -7.342 -4.147 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -4.453 -7.255 -2.881 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -6.141 -6.499 -4.513 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -4.938 -6.518 -5.788 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -3.567 -8.830 -5.493 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -4.645 -10.222 -5.626 1.00 0.00 H new ATOM 436 N GLY A 151 -5.046 -3.704 -2.317 1.00 0.00 N ATOM 437 CA GLY A 151 -5.667 -3.152 -1.127 1.00 0.00 C ATOM 438 C GLY A 151 -6.862 -3.961 -0.661 1.00 0.00 C ATOM 439 O GLY A 151 -7.754 -4.271 -1.449 1.00 0.00 O ATOM 0 H GLY A 151 -5.158 -3.140 -3.160 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -4.930 -3.106 -0.325 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.983 -2.128 -1.329 1.00 0.00 H new ATOM 443 N THR A 152 -6.876 -4.302 0.624 1.00 0.00 N ATOM 444 CA THR A 152 -7.968 -5.077 1.201 1.00 0.00 C ATOM 445 C THR A 152 -8.682 -4.286 2.296 1.00 0.00 C ATOM 446 O THR A 152 -9.271 -4.868 3.207 1.00 0.00 O ATOM 447 CB THR A 152 -7.440 -6.396 1.767 1.00 0.00 C ATOM 448 OG1 THR A 152 -6.055 -6.302 2.051 1.00 0.00 O ATOM 449 CG2 THR A 152 -7.637 -7.570 0.833 1.00 0.00 C ATOM 0 H THR A 152 -6.141 -4.053 1.286 1.00 0.00 H new ATOM 0 HA THR A 152 -8.686 -5.291 0.409 1.00 0.00 H new ATOM 0 HB THR A 152 -8.019 -6.572 2.674 1.00 0.00 H new ATOM 0 HG1 THR A 152 -5.737 -7.155 2.414 1.00 0.00 H new ATOM 0 HG21 THR A 152 -7.240 -8.474 1.296 1.00 0.00 H new ATOM 0 HG22 THR A 152 -8.700 -7.701 0.633 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.112 -7.382 -0.104 1.00 0.00 H new ATOM 457 N GLY A 153 -8.621 -2.960 2.206 1.00 0.00 N ATOM 458 CA GLY A 153 -9.261 -2.121 3.205 1.00 0.00 C ATOM 459 C GLY A 153 -10.448 -1.352 2.657 1.00 0.00 C ATOM 460 O GLY A 153 -10.432 -0.903 1.513 1.00 0.00 O ATOM 0 H GLY A 153 -8.142 -2.453 1.462 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.590 -2.743 4.037 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.530 -1.417 3.603 1.00 0.00 H new ATOM 464 N LYS A 154 -11.478 -1.199 3.482 1.00 0.00 N ATOM 465 CA LYS A 154 -12.685 -0.476 3.088 1.00 0.00 C ATOM 466 C LYS A 154 -13.217 -0.962 1.736 1.00 0.00 C ATOM 467 O LYS A 154 -14.018 -1.896 1.679 1.00 0.00 O ATOM 468 CB LYS A 154 -12.410 1.031 3.046 1.00 0.00 C ATOM 469 CG LYS A 154 -12.790 1.755 4.327 1.00 0.00 C ATOM 470 CD LYS A 154 -14.237 2.223 4.294 1.00 0.00 C ATOM 471 CE LYS A 154 -14.428 3.372 3.318 1.00 0.00 C ATOM 472 NZ LYS A 154 -15.819 3.904 3.353 1.00 0.00 N ATOM 0 H LYS A 154 -11.502 -1.568 4.433 1.00 0.00 H new ATOM 0 HA LYS A 154 -13.453 -0.676 3.835 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -11.351 1.193 2.848 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -12.961 1.469 2.214 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -12.640 1.092 5.179 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -12.132 2.612 4.471 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -14.883 1.392 4.010 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -14.542 2.537 5.292 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -13.727 4.172 3.557 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -14.194 3.034 2.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -15.909 4.686 2.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -16.486 3.148 3.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -16.034 4.250 4.310 1.00 0.00 H new ATOM 486 N ASN A 155 -12.777 -0.326 0.650 1.00 0.00 N ATOM 487 CA ASN A 155 -13.225 -0.701 -0.687 1.00 0.00 C ATOM 488 C ASN A 155 -12.078 -1.267 -1.522 1.00 0.00 C ATOM 489 O ASN A 155 -12.131 -1.251 -2.751 1.00 0.00 O ATOM 490 CB ASN A 155 -13.837 0.508 -1.398 1.00 0.00 C ATOM 491 CG ASN A 155 -14.983 1.119 -0.618 1.00 0.00 C ATOM 492 OD1 ASN A 155 -15.923 0.426 -0.225 1.00 0.00 O ATOM 493 ND2 ASN A 155 -14.913 2.425 -0.387 1.00 0.00 N ATOM 0 H ASN A 155 -12.113 0.448 0.672 1.00 0.00 H new ATOM 0 HA ASN A 155 -13.981 -1.478 -0.578 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -13.066 1.262 -1.555 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -14.192 0.205 -2.383 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -15.656 2.891 0.134 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -14.117 2.962 -0.730 1.00 0.00 H new ATOM 500 N GLY A 156 -11.046 -1.771 -0.851 1.00 0.00 N ATOM 501 CA GLY A 156 -9.912 -2.337 -1.558 1.00 0.00 C ATOM 502 C GLY A 156 -8.689 -1.437 -1.523 1.00 0.00 C ATOM 503 O GLY A 156 -7.841 -1.497 -2.413 1.00 0.00 O ATOM 0 H GLY A 156 -10.975 -1.797 0.166 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.660 -3.302 -1.118 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.192 -2.522 -2.595 1.00 0.00 H new ATOM 507 N ARG A 157 -8.600 -0.602 -0.494 1.00 0.00 N ATOM 508 CA ARG A 157 -7.477 0.316 -0.342 1.00 0.00 C ATOM 509 C ARG A 157 -6.286 -0.380 0.310 1.00 0.00 C ATOM 510 O ARG A 157 -6.456 -1.219 1.196 1.00 0.00 O ATOM 511 CB ARG A 157 -7.899 1.525 0.494 1.00 0.00 C ATOM 512 CG ARG A 157 -6.795 2.551 0.686 1.00 0.00 C ATOM 513 CD ARG A 157 -7.308 3.792 1.398 1.00 0.00 C ATOM 514 NE ARG A 157 -8.012 4.692 0.487 1.00 0.00 N ATOM 515 CZ ARG A 157 -8.863 5.635 0.884 1.00 0.00 C ATOM 516 NH1 ARG A 157 -9.119 5.808 2.175 1.00 0.00 N ATOM 517 NH2 ARG A 157 -9.460 6.408 -0.013 1.00 0.00 N ATOM 0 H ARG A 157 -9.295 -0.542 0.250 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.174 0.652 -1.334 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.751 2.007 0.015 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -8.236 1.180 1.471 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -5.982 2.109 1.262 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.383 2.830 -0.284 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -7.978 3.496 2.206 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -6.471 4.320 1.855 1.00 0.00 H new ATOM 0 HE ARG A 157 -7.841 4.591 -0.513 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -8.662 5.216 2.869 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -9.772 6.533 2.473 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -9.267 6.280 -1.006 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -10.112 7.131 0.290 1.00 0.00 H new ATOM 531 N VAL A 158 -5.082 -0.030 -0.134 1.00 0.00 N ATOM 532 CA VAL A 158 -3.867 -0.627 0.410 1.00 0.00 C ATOM 533 C VAL A 158 -3.498 0.002 1.749 1.00 0.00 C ATOM 534 O VAL A 158 -3.522 1.222 1.908 1.00 0.00 O ATOM 535 CB VAL A 158 -2.681 -0.497 -0.576 1.00 0.00 C ATOM 536 CG1 VAL A 158 -1.341 -0.687 0.127 1.00 0.00 C ATOM 537 CG2 VAL A 158 -2.825 -1.501 -1.707 1.00 0.00 C ATOM 0 H VAL A 158 -4.922 0.662 -0.866 1.00 0.00 H new ATOM 0 HA VAL A 158 -4.072 -1.686 0.564 1.00 0.00 H new ATOM 0 HB VAL A 158 -2.701 0.513 -0.986 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -0.533 -0.589 -0.598 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -1.227 0.070 0.903 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -1.305 -1.678 0.579 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -1.984 -1.399 -2.393 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -2.838 -2.511 -1.297 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -3.756 -1.314 -2.243 1.00 0.00 H new ATOM 547 N LEU A 159 -3.153 -0.850 2.705 1.00 0.00 N ATOM 548 CA LEU A 159 -2.771 -0.404 4.038 1.00 0.00 C ATOM 549 C LEU A 159 -1.270 -0.560 4.244 1.00 0.00 C ATOM 550 O LEU A 159 -0.600 -1.248 3.476 1.00 0.00 O ATOM 551 CB LEU A 159 -3.527 -1.216 5.091 1.00 0.00 C ATOM 552 CG LEU A 159 -5.042 -0.986 5.135 1.00 0.00 C ATOM 553 CD1 LEU A 159 -5.625 -1.512 6.437 1.00 0.00 C ATOM 554 CD2 LEU A 159 -5.374 0.490 4.959 1.00 0.00 C ATOM 0 H LEU A 159 -3.130 -1.862 2.580 1.00 0.00 H new ATOM 0 HA LEU A 159 -3.028 0.650 4.141 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -3.342 -2.275 4.910 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -3.112 -0.983 6.072 1.00 0.00 H new ATOM 0 HG LEU A 159 -5.491 -1.536 4.308 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -6.701 -1.340 6.450 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -5.428 -2.581 6.518 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -5.165 -0.993 7.278 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -6.455 0.626 4.994 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -4.909 1.065 5.760 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -4.996 0.836 3.997 1.00 0.00 H new ATOM 566 N LYS A 160 -0.738 0.067 5.288 1.00 0.00 N ATOM 567 CA LYS A 160 0.688 -0.038 5.571 1.00 0.00 C ATOM 568 C LYS A 160 1.071 -1.500 5.744 1.00 0.00 C ATOM 569 O LYS A 160 2.159 -1.921 5.350 1.00 0.00 O ATOM 570 CB LYS A 160 1.061 0.756 6.823 1.00 0.00 C ATOM 571 CG LYS A 160 2.562 0.931 7.000 1.00 0.00 C ATOM 572 CD LYS A 160 2.978 0.758 8.452 1.00 0.00 C ATOM 573 CE LYS A 160 4.457 0.427 8.573 1.00 0.00 C ATOM 574 NZ LYS A 160 4.690 -0.791 9.397 1.00 0.00 N ATOM 0 H LYS A 160 -1.264 0.645 5.943 1.00 0.00 H new ATOM 0 HA LYS A 160 1.238 0.383 4.729 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.591 1.738 6.775 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.655 0.251 7.699 1.00 0.00 H new ATOM 0 HG2 LYS A 160 3.089 0.205 6.381 1.00 0.00 H new ATOM 0 HG3 LYS A 160 2.857 1.921 6.652 1.00 0.00 H new ATOM 0 HD2 LYS A 160 2.763 1.673 9.005 1.00 0.00 H new ATOM 0 HD3 LYS A 160 2.388 -0.037 8.908 1.00 0.00 H new ATOM 0 HE2 LYS A 160 4.878 0.278 7.579 1.00 0.00 H new ATOM 0 HE3 LYS A 160 4.982 1.272 9.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 5.711 -0.981 9.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 4.312 -0.640 10.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 4.210 -1.603 8.959 1.00 0.00 H new ATOM 588 N GLU A 161 0.151 -2.277 6.309 1.00 0.00 N ATOM 589 CA GLU A 161 0.377 -3.699 6.505 1.00 0.00 C ATOM 590 C GLU A 161 0.526 -4.370 5.144 1.00 0.00 C ATOM 591 O GLU A 161 1.331 -5.287 4.973 1.00 0.00 O ATOM 592 CB GLU A 161 -0.780 -4.315 7.310 1.00 0.00 C ATOM 593 CG GLU A 161 -1.443 -5.518 6.650 1.00 0.00 C ATOM 594 CD GLU A 161 -2.397 -6.241 7.580 1.00 0.00 C ATOM 595 OE1 GLU A 161 -3.331 -5.591 8.096 1.00 0.00 O ATOM 596 OE2 GLU A 161 -2.210 -7.457 7.794 1.00 0.00 O ATOM 0 H GLU A 161 -0.755 -1.943 6.637 1.00 0.00 H new ATOM 0 HA GLU A 161 1.293 -3.855 7.075 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -0.405 -4.615 8.288 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -1.536 -3.548 7.480 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -1.985 -5.188 5.764 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -0.674 -6.213 6.313 1.00 0.00 H new ATOM 603 N ASP A 162 -0.245 -3.885 4.175 1.00 0.00 N ATOM 604 CA ASP A 162 -0.188 -4.413 2.819 1.00 0.00 C ATOM 605 C ASP A 162 1.183 -4.136 2.216 1.00 0.00 C ATOM 606 O ASP A 162 1.831 -5.026 1.666 1.00 0.00 O ATOM 607 CB ASP A 162 -1.279 -3.781 1.954 1.00 0.00 C ATOM 608 CG ASP A 162 -2.597 -4.522 2.043 1.00 0.00 C ATOM 609 OD1 ASP A 162 -2.597 -5.759 1.869 1.00 0.00 O ATOM 610 OD2 ASP A 162 -3.631 -3.865 2.288 1.00 0.00 O ATOM 0 H ASP A 162 -0.916 -3.128 4.305 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.354 -5.490 2.853 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.427 -2.746 2.262 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -0.948 -3.760 0.916 1.00 0.00 H new ATOM 615 N ILE A 163 1.621 -2.888 2.344 1.00 0.00 N ATOM 616 CA ILE A 163 2.922 -2.463 1.837 1.00 0.00 C ATOM 617 C ILE A 163 4.025 -3.374 2.362 1.00 0.00 C ATOM 618 O ILE A 163 4.802 -3.938 1.592 1.00 0.00 O ATOM 619 CB ILE A 163 3.247 -1.014 2.260 1.00 0.00 C ATOM 620 CG1 ILE A 163 2.095 -0.078 1.902 1.00 0.00 C ATOM 621 CG2 ILE A 163 4.545 -0.542 1.608 1.00 0.00 C ATOM 622 CD1 ILE A 163 1.787 -0.052 0.428 1.00 0.00 C ATOM 0 H ILE A 163 1.089 -2.146 2.799 1.00 0.00 H new ATOM 0 HA ILE A 163 2.874 -2.519 0.749 1.00 0.00 H new ATOM 0 HB ILE A 163 3.380 -0.995 3.342 1.00 0.00 H new ATOM 0 HG12 ILE A 163 1.203 -0.385 2.448 1.00 0.00 H new ATOM 0 HG13 ILE A 163 2.339 0.931 2.233 1.00 0.00 H new ATOM 0 HG21 ILE A 163 4.757 0.481 1.918 1.00 0.00 H new ATOM 0 HG22 ILE A 163 5.364 -1.192 1.916 1.00 0.00 H new ATOM 0 HG23 ILE A 163 4.442 -0.578 0.524 1.00 0.00 H new ATOM 0 HD11 ILE A 163 0.959 0.632 0.241 1.00 0.00 H new ATOM 0 HD12 ILE A 163 2.666 0.284 -0.122 1.00 0.00 H new ATOM 0 HD13 ILE A 163 1.512 -1.053 0.096 1.00 0.00 H new ATOM 634 N ASP A 164 4.082 -3.513 3.684 1.00 0.00 N ATOM 635 CA ASP A 164 5.084 -4.357 4.321 1.00 0.00 C ATOM 636 C ASP A 164 5.000 -5.782 3.789 1.00 0.00 C ATOM 637 O ASP A 164 6.019 -6.438 3.574 1.00 0.00 O ATOM 638 CB ASP A 164 4.897 -4.353 5.839 1.00 0.00 C ATOM 639 CG ASP A 164 6.009 -5.092 6.559 1.00 0.00 C ATOM 640 OD1 ASP A 164 7.138 -5.131 6.026 1.00 0.00 O ATOM 641 OD2 ASP A 164 5.751 -5.630 7.655 1.00 0.00 O ATOM 0 H ASP A 164 3.445 -3.051 4.333 1.00 0.00 H new ATOM 0 HA ASP A 164 6.069 -3.954 4.086 1.00 0.00 H new ATOM 0 HB2 ASP A 164 4.858 -3.324 6.195 1.00 0.00 H new ATOM 0 HB3 ASP A 164 3.940 -4.812 6.086 1.00 0.00 H new ATOM 646 N ALA A 165 3.775 -6.252 3.569 1.00 0.00 N ATOM 647 CA ALA A 165 3.555 -7.597 3.053 1.00 0.00 C ATOM 648 C ALA A 165 4.205 -7.756 1.684 1.00 0.00 C ATOM 649 O ALA A 165 4.769 -8.803 1.369 1.00 0.00 O ATOM 650 CB ALA A 165 2.066 -7.896 2.974 1.00 0.00 C ATOM 0 H ALA A 165 2.921 -5.721 3.740 1.00 0.00 H new ATOM 0 HA ALA A 165 4.015 -8.310 3.737 1.00 0.00 H new ATOM 0 HB1 ALA A 165 1.917 -8.904 2.587 1.00 0.00 H new ATOM 0 HB2 ALA A 165 1.627 -7.821 3.969 1.00 0.00 H new ATOM 0 HB3 ALA A 165 1.585 -7.178 2.310 1.00 0.00 H new ATOM 656 N TRP A 166 4.129 -6.701 0.878 1.00 0.00 N ATOM 657 CA TRP A 166 4.716 -6.713 -0.457 1.00 0.00 C ATOM 658 C TRP A 166 6.217 -6.955 -0.380 1.00 0.00 C ATOM 659 O TRP A 166 6.740 -7.900 -0.972 1.00 0.00 O ATOM 660 CB TRP A 166 4.444 -5.384 -1.162 1.00 0.00 C ATOM 661 CG TRP A 166 4.720 -5.419 -2.635 1.00 0.00 C ATOM 662 CD1 TRP A 166 5.647 -4.680 -3.310 1.00 0.00 C ATOM 663 CD2 TRP A 166 4.062 -6.231 -3.614 1.00 0.00 C ATOM 664 NE1 TRP A 166 5.606 -4.981 -4.649 1.00 0.00 N ATOM 665 CE2 TRP A 166 4.643 -5.931 -4.861 1.00 0.00 C ATOM 666 CE3 TRP A 166 3.040 -7.183 -3.559 1.00 0.00 C ATOM 667 CZ2 TRP A 166 4.235 -6.546 -6.041 1.00 0.00 C ATOM 668 CZ3 TRP A 166 2.637 -7.795 -4.731 1.00 0.00 C ATOM 669 CH2 TRP A 166 3.233 -7.475 -5.958 1.00 0.00 C ATOM 0 H TRP A 166 3.666 -5.827 1.127 1.00 0.00 H new ATOM 0 HA TRP A 166 4.259 -7.523 -1.026 1.00 0.00 H new ATOM 0 HB2 TRP A 166 3.403 -5.104 -1.002 1.00 0.00 H new ATOM 0 HB3 TRP A 166 5.057 -4.607 -0.704 1.00 0.00 H new ATOM 0 HD1 TRP A 166 6.316 -3.963 -2.857 1.00 0.00 H new ATOM 0 HE1 TRP A 166 6.197 -4.565 -5.369 1.00 0.00 H new ATOM 0 HE3 TRP A 166 2.574 -7.436 -2.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 4.692 -6.299 -6.988 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 1.849 -8.533 -4.700 1.00 0.00 H new ATOM 0 HH2 TRP A 166 2.895 -7.971 -6.856 1.00 0.00 H new ATOM 680 N LEU A 167 6.904 -6.090 0.357 1.00 0.00 N ATOM 681 CA LEU A 167 8.348 -6.198 0.522 1.00 0.00 C ATOM 682 C LEU A 167 8.714 -7.456 1.302 1.00 0.00 C ATOM 683 O LEU A 167 9.763 -8.058 1.074 1.00 0.00 O ATOM 684 CB LEU A 167 8.892 -4.961 1.240 1.00 0.00 C ATOM 685 CG LEU A 167 8.502 -3.624 0.604 1.00 0.00 C ATOM 686 CD1 LEU A 167 7.902 -2.689 1.643 1.00 0.00 C ATOM 687 CD2 LEU A 167 9.707 -2.977 -0.067 1.00 0.00 C ATOM 0 H LEU A 167 6.482 -5.304 0.851 1.00 0.00 H new ATOM 0 HA LEU A 167 8.799 -6.264 -0.468 1.00 0.00 H new ATOM 0 HB2 LEU A 167 8.539 -4.973 2.271 1.00 0.00 H new ATOM 0 HB3 LEU A 167 9.979 -5.027 1.274 1.00 0.00 H new ATOM 0 HG LEU A 167 7.747 -3.817 -0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 167 7.632 -1.745 1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 167 7.012 -3.147 2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 167 8.632 -2.504 2.431 1.00 0.00 H new ATOM 0 HD21 LEU A 167 9.409 -2.028 -0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 167 10.486 -2.801 0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 167 10.090 -3.639 -0.844 1.00 0.00 H new ATOM 699 N ALA A 168 7.840 -7.849 2.224 1.00 0.00 N ATOM 700 CA ALA A 168 8.070 -9.036 3.037 1.00 0.00 C ATOM 701 C ALA A 168 7.976 -10.306 2.196 1.00 0.00 C ATOM 702 O ALA A 168 8.561 -11.333 2.539 1.00 0.00 O ATOM 703 CB ALA A 168 7.076 -9.088 4.187 1.00 0.00 C ATOM 0 H ALA A 168 6.967 -7.362 2.426 1.00 0.00 H new ATOM 0 HA ALA A 168 9.079 -8.976 3.445 1.00 0.00 H new ATOM 0 HB1 ALA A 168 7.259 -9.980 4.786 1.00 0.00 H new ATOM 0 HB2 ALA A 168 7.194 -8.202 4.810 1.00 0.00 H new ATOM 0 HB3 ALA A 168 6.061 -9.120 3.790 1.00 0.00 H new