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 Set 1.1: A 138 TYR OH : rot 180:sc= 0.125 USER MOD Set 1.2: A 142 LYS NZ :NH3+ 153:sc= 0.59 (180deg=-0.499) USER MOD Set 2.1: A 132 MET CE :methyl -109:sc= -0.423 (180deg=-0.817) USER MOD Set 2.2: A 134 SER OG : rot -119:sc= -0.0771 USER MOD Single : A 137 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 -5.146 3.064 -4.945 1.00 0.00 N ATOM 82 CA ILE A 130 -5.994 3.194 -3.769 1.00 0.00 C ATOM 83 C ILE A 130 -5.209 2.848 -2.513 1.00 0.00 C ATOM 84 O ILE A 130 -4.823 1.699 -2.304 1.00 0.00 O ATOM 85 CB ILE A 130 -7.240 2.294 -3.864 1.00 0.00 C ATOM 86 CG1 ILE A 130 -7.977 2.565 -5.173 1.00 0.00 C ATOM 87 CG2 ILE A 130 -8.163 2.531 -2.677 1.00 0.00 C ATOM 88 CD1 ILE A 130 -7.588 1.627 -6.294 1.00 0.00 C ATOM 0 HA ILE A 130 -6.327 4.231 -3.719 1.00 0.00 H new ATOM 0 HB ILE A 130 -6.922 1.252 -3.846 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -9.050 2.484 -4.999 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -7.781 3.591 -5.485 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -9.038 1.886 -2.762 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -7.633 2.303 -1.752 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -8.481 3.574 -2.666 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -8.152 1.880 -7.192 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -6.521 1.724 -6.496 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -7.810 0.600 -6.003 1.00 0.00 H new ATOM 100 N ALA A 131 -4.967 3.856 -1.686 1.00 0.00 N ATOM 101 CA ALA A 131 -4.216 3.669 -0.450 1.00 0.00 C ATOM 102 C ALA A 131 -4.345 4.883 0.461 1.00 0.00 C ATOM 103 O ALA A 131 -4.590 5.997 -0.003 1.00 0.00 O ATOM 104 CB ALA A 131 -2.753 3.396 -0.763 1.00 0.00 C ATOM 0 H ALA A 131 -5.280 4.813 -1.848 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.634 2.810 0.075 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.202 3.258 0.167 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -2.673 2.494 -1.370 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.335 4.240 -1.311 1.00 0.00 H new ATOM 110 N MET A 132 -4.177 4.663 1.761 1.00 0.00 N ATOM 111 CA MET A 132 -4.275 5.741 2.736 1.00 0.00 C ATOM 112 C MET A 132 -3.215 6.810 2.476 1.00 0.00 C ATOM 113 O MET A 132 -2.143 6.517 1.949 1.00 0.00 O ATOM 114 CB MET A 132 -4.125 5.185 4.153 1.00 0.00 C ATOM 115 CG MET A 132 -5.436 5.116 4.918 1.00 0.00 C ATOM 116 SD MET A 132 -5.234 4.470 6.589 1.00 0.00 S ATOM 117 CE MET A 132 -4.121 5.687 7.288 1.00 0.00 C ATOM 0 H MET A 132 -3.972 3.748 2.163 1.00 0.00 H new ATOM 0 HA MET A 132 -5.257 6.203 2.637 1.00 0.00 H new ATOM 0 HB2 MET A 132 -3.692 4.186 4.099 1.00 0.00 H new ATOM 0 HB3 MET A 132 -3.422 5.808 4.707 1.00 0.00 H new ATOM 0 HG2 MET A 132 -5.875 6.112 4.969 1.00 0.00 H new ATOM 0 HG3 MET A 132 -6.138 4.486 4.372 1.00 0.00 H new ATOM 0 HE1 MET A 132 -3.135 5.242 7.425 1.00 0.00 H new ATOM 0 HE2 MET A 132 -4.044 6.540 6.613 1.00 0.00 H new ATOM 0 HE3 MET A 132 -4.506 6.021 8.252 1.00 0.00 H new ATOM 127 N PRO A 133 -3.505 8.070 2.844 1.00 0.00 N ATOM 128 CA PRO A 133 -2.574 9.184 2.647 1.00 0.00 C ATOM 129 C PRO A 133 -1.190 8.893 3.217 1.00 0.00 C ATOM 130 O PRO A 133 -0.192 9.450 2.763 1.00 0.00 O ATOM 131 CB PRO A 133 -3.232 10.338 3.409 1.00 0.00 C ATOM 132 CG PRO A 133 -4.684 10.005 3.422 1.00 0.00 C ATOM 133 CD PRO A 133 -4.764 8.505 3.481 1.00 0.00 C ATOM 0 HA PRO A 133 -2.409 9.392 1.590 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -2.836 10.421 4.421 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -3.049 11.293 2.916 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -5.180 10.456 4.281 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -5.180 10.388 2.530 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -4.840 8.147 4.508 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -5.636 8.128 2.947 1.00 0.00 H new ATOM 141 N SER A 134 -1.139 8.019 4.216 1.00 0.00 N ATOM 142 CA SER A 134 0.122 7.657 4.851 1.00 0.00 C ATOM 143 C SER A 134 0.753 6.445 4.172 1.00 0.00 C ATOM 144 O SER A 134 1.976 6.304 4.147 1.00 0.00 O ATOM 145 CB SER A 134 -0.097 7.365 6.337 1.00 0.00 C ATOM 146 OG SER A 134 -1.287 6.622 6.539 1.00 0.00 O ATOM 0 H SER A 134 -1.957 7.548 4.603 1.00 0.00 H new ATOM 0 HA SER A 134 0.804 8.501 4.747 1.00 0.00 H new ATOM 0 HB2 SER A 134 0.754 6.810 6.731 1.00 0.00 H new ATOM 0 HB3 SER A 134 -0.151 8.302 6.891 1.00 0.00 H new ATOM 0 HG SER A 134 -1.902 7.136 7.102 1.00 0.00 H new ATOM 152 N VAL A 135 -0.087 5.570 3.630 1.00 0.00 N ATOM 153 CA VAL A 135 0.395 4.366 2.960 1.00 0.00 C ATOM 154 C VAL A 135 1.146 4.701 1.685 1.00 0.00 C ATOM 155 O VAL A 135 2.236 4.187 1.443 1.00 0.00 O ATOM 156 CB VAL A 135 -0.756 3.409 2.618 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.227 2.158 1.928 1.00 0.00 C ATOM 158 CG2 VAL A 135 -1.527 3.056 3.874 1.00 0.00 C ATOM 0 H VAL A 135 -1.102 5.671 3.641 1.00 0.00 H new ATOM 0 HA VAL A 135 1.072 3.877 3.660 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.436 3.907 1.926 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -1.058 1.493 1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.284 2.439 1.007 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.473 1.646 2.589 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.342 2.377 3.622 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -0.859 2.573 4.587 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -1.936 3.964 4.317 1.00 0.00 H new ATOM 168 N ARG A 136 0.562 5.564 0.869 1.00 0.00 N ATOM 169 CA ARG A 136 1.193 5.956 -0.382 1.00 0.00 C ATOM 170 C ARG A 136 2.596 6.481 -0.112 1.00 0.00 C ATOM 171 O ARG A 136 3.494 6.339 -0.937 1.00 0.00 O ATOM 172 CB ARG A 136 0.361 7.028 -1.089 1.00 0.00 C ATOM 173 CG ARG A 136 -1.074 6.607 -1.357 1.00 0.00 C ATOM 174 CD ARG A 136 -1.999 7.810 -1.459 1.00 0.00 C ATOM 175 NE ARG A 136 -2.163 8.262 -2.840 1.00 0.00 N ATOM 176 CZ ARG A 136 -1.333 9.106 -3.451 1.00 0.00 C ATOM 177 NH1 ARG A 136 -0.275 9.591 -2.813 1.00 0.00 N ATOM 178 NH2 ARG A 136 -1.563 9.465 -4.706 1.00 0.00 N ATOM 0 H ARG A 136 -0.341 6.004 1.048 1.00 0.00 H new ATOM 0 HA ARG A 136 1.256 5.082 -1.030 1.00 0.00 H new ATOM 0 HB2 ARG A 136 0.358 7.933 -0.481 1.00 0.00 H new ATOM 0 HB3 ARG A 136 0.839 7.281 -2.035 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -1.119 6.033 -2.283 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -1.417 5.950 -0.558 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -2.974 7.554 -1.044 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.600 8.626 -0.856 1.00 0.00 H new ATOM 0 HE ARG A 136 -2.962 7.910 -3.368 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -0.092 9.318 -1.847 1.00 0.00 H new ATOM 0 HH12 ARG A 136 0.355 10.237 -3.288 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -2.374 9.095 -5.202 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -0.929 10.111 -5.176 1.00 0.00 H new ATOM 192 N LYS A 137 2.775 7.066 1.068 1.00 0.00 N ATOM 193 CA LYS A 137 4.066 7.593 1.476 1.00 0.00 C ATOM 194 C LYS A 137 4.979 6.461 1.918 1.00 0.00 C ATOM 195 O LYS A 137 6.175 6.455 1.625 1.00 0.00 O ATOM 196 CB LYS A 137 3.893 8.605 2.611 1.00 0.00 C ATOM 197 CG LYS A 137 5.197 9.242 3.065 1.00 0.00 C ATOM 198 CD LYS A 137 5.748 10.191 2.012 1.00 0.00 C ATOM 199 CE LYS A 137 6.605 11.280 2.638 1.00 0.00 C ATOM 200 NZ LYS A 137 7.739 11.673 1.756 1.00 0.00 N ATOM 0 H LYS A 137 2.035 7.186 1.760 1.00 0.00 H new ATOM 0 HA LYS A 137 4.520 8.099 0.624 1.00 0.00 H new ATOM 0 HB2 LYS A 137 3.210 9.389 2.286 1.00 0.00 H new ATOM 0 HB3 LYS A 137 3.426 8.108 3.461 1.00 0.00 H new ATOM 0 HG2 LYS A 137 5.034 9.785 3.996 1.00 0.00 H new ATOM 0 HG3 LYS A 137 5.930 8.463 3.274 1.00 0.00 H new ATOM 0 HD2 LYS A 137 6.341 9.630 1.290 1.00 0.00 H new ATOM 0 HD3 LYS A 137 4.923 10.646 1.463 1.00 0.00 H new ATOM 0 HE2 LYS A 137 5.987 12.154 2.845 1.00 0.00 H new ATOM 0 HE3 LYS A 137 6.994 10.931 3.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 8.298 12.417 2.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 8.344 10.846 1.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 7.368 12.031 0.853 1.00 0.00 H new ATOM 214 N TYR A 138 4.400 5.504 2.638 1.00 0.00 N ATOM 215 CA TYR A 138 5.155 4.367 3.135 1.00 0.00 C ATOM 216 C TYR A 138 5.648 3.494 1.988 1.00 0.00 C ATOM 217 O TYR A 138 6.826 3.146 1.927 1.00 0.00 O ATOM 218 CB TYR A 138 4.284 3.543 4.074 1.00 0.00 C ATOM 219 CG TYR A 138 4.969 2.295 4.568 1.00 0.00 C ATOM 220 CD1 TYR A 138 6.131 2.370 5.322 1.00 0.00 C ATOM 221 CD2 TYR A 138 4.465 1.042 4.260 1.00 0.00 C ATOM 222 CE1 TYR A 138 6.769 1.227 5.761 1.00 0.00 C ATOM 223 CE2 TYR A 138 5.095 -0.103 4.692 1.00 0.00 C ATOM 224 CZ TYR A 138 6.247 -0.009 5.443 1.00 0.00 C ATOM 225 OH TYR A 138 6.879 -1.152 5.876 1.00 0.00 O ATOM 0 H TYR A 138 3.411 5.497 2.888 1.00 0.00 H new ATOM 0 HA TYR A 138 6.024 4.742 3.676 1.00 0.00 H new ATOM 0 HB2 TYR A 138 3.999 4.157 4.928 1.00 0.00 H new ATOM 0 HB3 TYR A 138 3.364 3.266 3.559 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.543 3.337 5.569 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.563 0.962 3.671 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.671 1.301 6.350 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.688 -1.072 4.443 1.00 0.00 H new ATOM 0 HH TYR A 138 6.382 -1.938 5.567 1.00 0.00 H new ATOM 235 N ALA A 139 4.753 3.168 1.062 1.00 0.00 N ATOM 236 CA ALA A 139 5.124 2.370 -0.093 1.00 0.00 C ATOM 237 C ALA A 139 6.084 3.172 -0.948 1.00 0.00 C ATOM 238 O ALA A 139 7.121 2.678 -1.380 1.00 0.00 O ATOM 239 CB ALA A 139 3.895 1.975 -0.898 1.00 0.00 C ATOM 0 H ALA A 139 3.771 3.444 1.091 1.00 0.00 H new ATOM 0 HA ALA A 139 5.606 1.451 0.241 1.00 0.00 H new ATOM 0 HB1 ALA A 139 4.200 1.378 -1.758 1.00 0.00 H new ATOM 0 HB2 ALA A 139 3.222 1.391 -0.271 1.00 0.00 H new ATOM 0 HB3 ALA A 139 3.382 2.873 -1.243 1.00 0.00 H new ATOM 245 N ARG A 140 5.736 4.434 -1.160 1.00 0.00 N ATOM 246 CA ARG A 140 6.572 5.334 -1.938 1.00 0.00 C ATOM 247 C ARG A 140 7.986 5.371 -1.360 1.00 0.00 C ATOM 248 O ARG A 140 8.963 5.542 -2.089 1.00 0.00 O ATOM 249 CB ARG A 140 5.964 6.740 -1.949 1.00 0.00 C ATOM 250 CG ARG A 140 6.804 7.769 -2.690 1.00 0.00 C ATOM 251 CD ARG A 140 6.365 7.907 -4.139 1.00 0.00 C ATOM 252 NE ARG A 140 5.668 9.168 -4.384 1.00 0.00 N ATOM 253 CZ ARG A 140 6.270 10.289 -4.782 1.00 0.00 C ATOM 254 NH1 ARG A 140 7.584 10.319 -4.972 1.00 0.00 N ATOM 255 NH2 ARG A 140 5.554 11.386 -4.986 1.00 0.00 N ATOM 0 H ARG A 140 4.879 4.857 -0.803 1.00 0.00 H new ATOM 0 HA ARG A 140 6.625 4.968 -2.964 1.00 0.00 H new ATOM 0 HB2 ARG A 140 4.976 6.694 -2.407 1.00 0.00 H new ATOM 0 HB3 ARG A 140 5.824 7.073 -0.921 1.00 0.00 H new ATOM 0 HG2 ARG A 140 6.723 8.734 -2.191 1.00 0.00 H new ATOM 0 HG3 ARG A 140 7.854 7.478 -2.653 1.00 0.00 H new ATOM 0 HD2 ARG A 140 7.237 7.843 -4.789 1.00 0.00 H new ATOM 0 HD3 ARG A 140 5.711 7.075 -4.400 1.00 0.00 H new ATOM 0 HE ARG A 140 4.658 9.192 -4.242 1.00 0.00 H new ATOM 0 HH11 ARG A 140 8.142 9.480 -4.813 1.00 0.00 H new ATOM 0 HH12 ARG A 140 8.036 11.181 -5.277 1.00 0.00 H new ATOM 0 HH21 ARG A 140 4.545 11.371 -4.838 1.00 0.00 H new ATOM 0 HH22 ARG A 140 6.012 12.245 -5.290 1.00 0.00 H new ATOM 269 N GLU A 141 8.082 5.201 -0.042 1.00 0.00 N ATOM 270 CA GLU A 141 9.366 5.204 0.642 1.00 0.00 C ATOM 271 C GLU A 141 10.013 3.828 0.588 1.00 0.00 C ATOM 272 O GLU A 141 11.232 3.704 0.462 1.00 0.00 O ATOM 273 CB GLU A 141 9.182 5.632 2.098 1.00 0.00 C ATOM 274 CG GLU A 141 9.024 7.132 2.277 1.00 0.00 C ATOM 275 CD GLU A 141 10.333 7.820 2.607 1.00 0.00 C ATOM 276 OE1 GLU A 141 11.135 7.238 3.367 1.00 0.00 O ATOM 277 OE2 GLU A 141 10.557 8.942 2.107 1.00 0.00 O ATOM 0 H GLU A 141 7.280 5.059 0.572 1.00 0.00 H new ATOM 0 HA GLU A 141 10.020 5.914 0.136 1.00 0.00 H new ATOM 0 HB2 GLU A 141 8.304 5.132 2.507 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.041 5.294 2.678 1.00 0.00 H new ATOM 0 HG2 GLU A 141 8.612 7.562 1.364 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.305 7.326 3.073 1.00 0.00 H new ATOM 284 N LYS A 142 9.185 2.797 0.699 1.00 0.00 N ATOM 285 CA LYS A 142 9.657 1.422 0.678 1.00 0.00 C ATOM 286 C LYS A 142 9.823 0.901 -0.751 1.00 0.00 C ATOM 287 O LYS A 142 9.751 -0.305 -0.988 1.00 0.00 O ATOM 288 CB LYS A 142 8.670 0.538 1.442 1.00 0.00 C ATOM 289 CG LYS A 142 8.600 0.820 2.942 1.00 0.00 C ATOM 290 CD LYS A 142 9.960 1.171 3.527 1.00 0.00 C ATOM 291 CE LYS A 142 9.859 1.515 5.003 1.00 0.00 C ATOM 292 NZ LYS A 142 9.712 0.298 5.848 1.00 0.00 N ATOM 0 H LYS A 142 8.175 2.891 0.805 1.00 0.00 H new ATOM 0 HA LYS A 142 10.636 1.391 1.155 1.00 0.00 H new ATOM 0 HB2 LYS A 142 7.676 0.669 1.013 1.00 0.00 H new ATOM 0 HB3 LYS A 142 8.946 -0.506 1.293 1.00 0.00 H new ATOM 0 HG2 LYS A 142 7.906 1.641 3.123 1.00 0.00 H new ATOM 0 HG3 LYS A 142 8.201 -0.054 3.456 1.00 0.00 H new ATOM 0 HD2 LYS A 142 10.642 0.331 3.394 1.00 0.00 H new ATOM 0 HD3 LYS A 142 10.384 2.015 2.984 1.00 0.00 H new ATOM 0 HE2 LYS A 142 10.749 2.064 5.309 1.00 0.00 H new ATOM 0 HE3 LYS A 142 9.006 2.174 5.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 10.092 0.487 6.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 8.706 0.046 5.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 10.235 -0.490 5.416 1.00 0.00 H new ATOM 306 N GLY A 143 10.039 1.809 -1.703 1.00 0.00 N ATOM 307 CA GLY A 143 10.205 1.402 -3.090 1.00 0.00 C ATOM 308 C GLY A 143 9.052 0.549 -3.588 1.00 0.00 C ATOM 309 O GLY A 143 9.193 -0.197 -4.557 1.00 0.00 O ATOM 0 H GLY A 143 10.102 2.814 -1.539 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.294 2.289 -3.717 1.00 0.00 H new ATOM 0 HA3 GLY A 143 11.136 0.844 -3.193 1.00 0.00 H new ATOM 313 N VAL A 144 7.911 0.663 -2.920 1.00 0.00 N ATOM 314 CA VAL A 144 6.721 -0.094 -3.281 1.00 0.00 C ATOM 315 C VAL A 144 5.646 0.822 -3.853 1.00 0.00 C ATOM 316 O VAL A 144 5.457 1.946 -3.389 1.00 0.00 O ATOM 317 CB VAL A 144 6.152 -0.843 -2.058 1.00 0.00 C ATOM 318 CG1 VAL A 144 4.774 -1.420 -2.356 1.00 0.00 C ATOM 319 CG2 VAL A 144 7.109 -1.936 -1.613 1.00 0.00 C ATOM 0 H VAL A 144 7.785 1.279 -2.117 1.00 0.00 H new ATOM 0 HA VAL A 144 7.014 -0.819 -4.040 1.00 0.00 H new ATOM 0 HB VAL A 144 6.042 -0.126 -1.244 1.00 0.00 H new ATOM 0 HG11 VAL A 144 4.400 -1.942 -1.475 1.00 0.00 H new ATOM 0 HG12 VAL A 144 4.090 -0.612 -2.617 1.00 0.00 H new ATOM 0 HG13 VAL A 144 4.845 -2.119 -3.189 1.00 0.00 H new ATOM 0 HG21 VAL A 144 6.693 -2.455 -0.749 1.00 0.00 H new ATOM 0 HG22 VAL A 144 7.254 -2.646 -2.427 1.00 0.00 H new ATOM 0 HG23 VAL A 144 8.067 -1.493 -1.343 1.00 0.00 H new ATOM 329 N ASP A 145 4.936 0.323 -4.856 1.00 0.00 N ATOM 330 CA ASP A 145 3.867 1.079 -5.488 1.00 0.00 C ATOM 331 C ASP A 145 2.536 0.378 -5.266 1.00 0.00 C ATOM 332 O ASP A 145 2.408 -0.821 -5.509 1.00 0.00 O ATOM 333 CB ASP A 145 4.138 1.238 -6.986 1.00 0.00 C ATOM 334 CG ASP A 145 3.138 2.158 -7.659 1.00 0.00 C ATOM 335 OD1 ASP A 145 2.052 2.379 -7.083 1.00 0.00 O ATOM 336 OD2 ASP A 145 3.441 2.656 -8.763 1.00 0.00 O ATOM 0 H ASP A 145 5.083 -0.606 -5.250 1.00 0.00 H new ATOM 0 HA ASP A 145 3.825 2.071 -5.038 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.144 1.631 -7.131 1.00 0.00 H new ATOM 0 HB3 ASP A 145 4.106 0.259 -7.464 1.00 0.00 H new ATOM 341 N ILE A 146 1.545 1.130 -4.804 1.00 0.00 N ATOM 342 CA ILE A 146 0.222 0.572 -4.551 1.00 0.00 C ATOM 343 C ILE A 146 -0.295 -0.198 -5.765 1.00 0.00 C ATOM 344 O ILE A 146 -1.150 -1.076 -5.637 1.00 0.00 O ATOM 345 CB ILE A 146 -0.795 1.671 -4.184 1.00 0.00 C ATOM 346 CG1 ILE A 146 -0.225 2.593 -3.102 1.00 0.00 C ATOM 347 CG2 ILE A 146 -2.102 1.052 -3.715 1.00 0.00 C ATOM 348 CD1 ILE A 146 0.149 1.871 -1.827 1.00 0.00 C ATOM 0 H ILE A 146 1.631 2.125 -4.597 1.00 0.00 H new ATOM 0 HA ILE A 146 0.327 -0.111 -3.708 1.00 0.00 H new ATOM 0 HB ILE A 146 -0.993 2.266 -5.076 1.00 0.00 H new ATOM 0 HG12 ILE A 146 0.657 3.099 -3.495 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -0.959 3.365 -2.871 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -2.808 1.842 -3.460 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -2.519 0.436 -4.511 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -1.917 0.434 -2.837 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.545 2.587 -1.107 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -0.735 1.388 -1.410 1.00 0.00 H new ATOM 0 HD13 ILE A 146 0.906 1.118 -2.044 1.00 0.00 H new ATOM 360 N ARG A 147 0.235 0.125 -6.942 1.00 0.00 N ATOM 361 CA ARG A 147 -0.173 -0.547 -8.170 1.00 0.00 C ATOM 362 C ARG A 147 0.172 -2.029 -8.101 1.00 0.00 C ATOM 363 O ARG A 147 -0.547 -2.874 -8.635 1.00 0.00 O ATOM 364 CB ARG A 147 0.506 0.096 -9.380 1.00 0.00 C ATOM 365 CG ARG A 147 -0.318 1.199 -10.024 1.00 0.00 C ATOM 366 CD ARG A 147 0.302 1.668 -11.329 1.00 0.00 C ATOM 367 NE ARG A 147 -0.705 2.145 -12.274 1.00 0.00 N ATOM 368 CZ ARG A 147 -1.459 1.343 -13.022 1.00 0.00 C ATOM 369 NH1 ARG A 147 -1.325 0.026 -12.938 1.00 0.00 N ATOM 370 NH2 ARG A 147 -2.351 1.860 -13.856 1.00 0.00 N ATOM 0 H ARG A 147 0.945 0.846 -7.070 1.00 0.00 H new ATOM 0 HA ARG A 147 -1.252 -0.443 -8.279 1.00 0.00 H new ATOM 0 HB2 ARG A 147 1.468 0.505 -9.072 1.00 0.00 H new ATOM 0 HB3 ARG A 147 0.711 -0.674 -10.123 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -1.329 0.838 -10.210 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -0.402 2.041 -9.337 1.00 0.00 H new ATOM 0 HD2 ARG A 147 1.015 2.467 -11.125 1.00 0.00 H new ATOM 0 HD3 ARG A 147 0.862 0.848 -11.779 1.00 0.00 H new ATOM 0 HE ARG A 147 -0.838 3.152 -12.366 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -0.641 -0.377 -12.298 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -1.906 -0.583 -13.514 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -2.459 2.872 -13.924 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -2.929 1.246 -14.429 1.00 0.00 H new ATOM 384 N LEU A 148 1.276 -2.332 -7.432 1.00 0.00 N ATOM 385 CA LEU A 148 1.731 -3.704 -7.276 1.00 0.00 C ATOM 386 C LEU A 148 1.108 -4.346 -6.037 1.00 0.00 C ATOM 387 O LEU A 148 1.271 -5.542 -5.800 1.00 0.00 O ATOM 388 CB LEU A 148 3.256 -3.743 -7.168 1.00 0.00 C ATOM 389 CG LEU A 148 3.987 -2.544 -7.775 1.00 0.00 C ATOM 390 CD1 LEU A 148 5.481 -2.647 -7.523 1.00 0.00 C ATOM 391 CD2 LEU A 148 3.699 -2.446 -9.266 1.00 0.00 C ATOM 0 H LEU A 148 1.876 -1.639 -6.986 1.00 0.00 H new ATOM 0 HA LEU A 148 1.417 -4.269 -8.154 1.00 0.00 H new ATOM 0 HB2 LEU A 148 3.527 -3.817 -6.115 1.00 0.00 H new ATOM 0 HB3 LEU A 148 3.615 -4.650 -7.654 1.00 0.00 H new ATOM 0 HG LEU A 148 3.622 -1.636 -7.294 1.00 0.00 H new ATOM 0 HD11 LEU A 148 5.984 -1.786 -7.962 1.00 0.00 H new ATOM 0 HD12 LEU A 148 5.668 -2.668 -6.449 1.00 0.00 H new ATOM 0 HD13 LEU A 148 5.864 -3.561 -7.977 1.00 0.00 H new ATOM 0 HD21 LEU A 148 4.226 -1.588 -9.683 1.00 0.00 H new ATOM 0 HD22 LEU A 148 4.037 -3.356 -9.762 1.00 0.00 H new ATOM 0 HD23 LEU A 148 2.627 -2.324 -9.422 1.00 0.00 H new ATOM 403 N VAL A 149 0.401 -3.542 -5.245 1.00 0.00 N ATOM 404 CA VAL A 149 -0.234 -4.032 -4.029 1.00 0.00 C ATOM 405 C VAL A 149 -1.753 -4.035 -4.159 1.00 0.00 C ATOM 406 O VAL A 149 -2.340 -3.111 -4.721 1.00 0.00 O ATOM 407 CB VAL A 149 0.159 -3.179 -2.809 1.00 0.00 C ATOM 408 CG1 VAL A 149 -0.185 -3.904 -1.518 1.00 0.00 C ATOM 409 CG2 VAL A 149 1.639 -2.823 -2.852 1.00 0.00 C ATOM 0 H VAL A 149 0.255 -2.549 -5.426 1.00 0.00 H new ATOM 0 HA VAL A 149 0.117 -5.053 -3.882 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.412 -2.251 -2.842 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.100 -3.286 -0.667 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -1.257 -4.097 -1.484 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.355 -4.850 -1.477 1.00 0.00 H new ATOM 0 HG21 VAL A 149 1.894 -2.220 -1.980 1.00 0.00 H new ATOM 0 HG22 VAL A 149 2.233 -3.737 -2.848 1.00 0.00 H new ATOM 0 HG23 VAL A 149 1.851 -2.257 -3.759 1.00 0.00 H new ATOM 419 N GLN A 150 -2.382 -5.078 -3.630 1.00 0.00 N ATOM 420 CA GLN A 150 -3.834 -5.201 -3.677 1.00 0.00 C ATOM 421 C GLN A 150 -4.444 -4.835 -2.328 1.00 0.00 C ATOM 422 O GLN A 150 -4.602 -5.689 -1.455 1.00 0.00 O ATOM 423 CB GLN A 150 -4.234 -6.626 -4.066 1.00 0.00 C ATOM 424 CG GLN A 150 -5.367 -6.687 -5.077 1.00 0.00 C ATOM 425 CD GLN A 150 -5.740 -8.108 -5.451 1.00 0.00 C ATOM 426 OE1 GLN A 150 -6.721 -8.657 -4.951 1.00 0.00 O ATOM 427 NE2 GLN A 150 -4.954 -8.711 -6.335 1.00 0.00 N ATOM 0 H GLN A 150 -1.909 -5.851 -3.163 1.00 0.00 H new ATOM 0 HA GLN A 150 -4.214 -4.511 -4.430 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -3.364 -7.139 -4.477 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -4.530 -7.169 -3.168 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -6.242 -6.182 -4.668 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -5.076 -6.143 -5.976 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -4.151 -8.217 -6.724 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -5.153 -9.668 -6.625 1.00 0.00 H new ATOM 436 N GLY A 151 -4.779 -3.560 -2.162 1.00 0.00 N ATOM 437 CA GLY A 151 -5.360 -3.105 -0.916 1.00 0.00 C ATOM 438 C GLY A 151 -6.682 -3.774 -0.604 1.00 0.00 C ATOM 439 O GLY A 151 -7.538 -3.911 -1.477 1.00 0.00 O ATOM 0 H GLY A 151 -4.658 -2.835 -2.869 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -4.660 -3.298 -0.103 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.506 -2.026 -0.962 1.00 0.00 H new ATOM 443 N THR A 152 -6.846 -4.194 0.646 1.00 0.00 N ATOM 444 CA THR A 152 -8.072 -4.854 1.082 1.00 0.00 C ATOM 445 C THR A 152 -8.766 -4.046 2.178 1.00 0.00 C ATOM 446 O THR A 152 -9.493 -4.602 3.001 1.00 0.00 O ATOM 447 CB THR A 152 -7.764 -6.265 1.587 1.00 0.00 C ATOM 448 OG1 THR A 152 -6.407 -6.375 1.976 1.00 0.00 O ATOM 449 CG2 THR A 152 -8.035 -7.340 0.556 1.00 0.00 C ATOM 0 H THR A 152 -6.143 -4.089 1.377 1.00 0.00 H new ATOM 0 HA THR A 152 -8.744 -4.921 0.226 1.00 0.00 H new ATOM 0 HB THR A 152 -8.430 -6.420 2.436 1.00 0.00 H new ATOM 0 HG1 THR A 152 -6.231 -7.284 2.297 1.00 0.00 H new ATOM 0 HG21 THR A 152 -7.796 -8.317 0.977 1.00 0.00 H new ATOM 0 HG22 THR A 152 -9.087 -7.315 0.272 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.417 -7.164 -0.324 1.00 0.00 H new ATOM 457 N GLY A 153 -8.528 -2.738 2.192 1.00 0.00 N ATOM 458 CA GLY A 153 -9.131 -1.886 3.202 1.00 0.00 C ATOM 459 C GLY A 153 -10.382 -1.179 2.715 1.00 0.00 C ATOM 460 O GLY A 153 -10.366 -0.509 1.684 1.00 0.00 O ATOM 0 H GLY A 153 -7.929 -2.253 1.523 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.378 -2.488 4.076 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.402 -1.142 3.523 1.00 0.00 H new ATOM 464 N LYS A 154 -11.465 -1.323 3.471 1.00 0.00 N ATOM 465 CA LYS A 154 -12.734 -0.688 3.127 1.00 0.00 C ATOM 466 C LYS A 154 -13.208 -1.101 1.732 1.00 0.00 C ATOM 467 O LYS A 154 -13.982 -2.047 1.589 1.00 0.00 O ATOM 468 CB LYS A 154 -12.607 0.836 3.215 1.00 0.00 C ATOM 469 CG LYS A 154 -13.116 1.414 4.526 1.00 0.00 C ATOM 470 CD LYS A 154 -14.611 1.192 4.687 1.00 0.00 C ATOM 471 CE LYS A 154 -15.404 2.425 4.287 1.00 0.00 C ATOM 472 NZ LYS A 154 -16.859 2.262 4.555 1.00 0.00 N ATOM 0 H LYS A 154 -11.490 -1.875 4.328 1.00 0.00 H new ATOM 0 HA LYS A 154 -13.481 -1.025 3.846 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -11.561 1.113 3.087 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -13.159 1.287 2.390 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -12.586 0.952 5.359 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -12.899 2.482 4.563 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -14.922 0.344 4.076 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -14.832 0.936 5.723 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -15.029 3.290 4.834 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -15.251 2.627 3.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -17.364 3.125 4.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -17.223 1.452 4.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -17.008 2.095 5.571 1.00 0.00 H new ATOM 486 N ASN A 155 -12.749 -0.385 0.707 1.00 0.00 N ATOM 487 CA ASN A 155 -13.140 -0.682 -0.668 1.00 0.00 C ATOM 488 C ASN A 155 -11.952 -1.183 -1.484 1.00 0.00 C ATOM 489 O ASN A 155 -11.895 -0.986 -2.697 1.00 0.00 O ATOM 490 CB ASN A 155 -13.741 0.563 -1.328 1.00 0.00 C ATOM 491 CG ASN A 155 -15.252 0.495 -1.424 1.00 0.00 C ATOM 492 OD1 ASN A 155 -15.818 0.519 -2.517 1.00 0.00 O ATOM 493 ND2 ASN A 155 -15.915 0.410 -0.277 1.00 0.00 N ATOM 0 H ASN A 155 -12.108 0.402 0.803 1.00 0.00 H new ATOM 0 HA ASN A 155 -13.891 -1.472 -0.641 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -13.456 1.447 -0.757 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -13.321 0.679 -2.327 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -16.934 0.362 -0.279 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -15.406 0.393 0.606 1.00 0.00 H new ATOM 500 N GLY A 156 -11.011 -1.837 -0.814 1.00 0.00 N ATOM 501 CA GLY A 156 -9.843 -2.359 -1.499 1.00 0.00 C ATOM 502 C GLY A 156 -8.661 -1.409 -1.453 1.00 0.00 C ATOM 503 O GLY A 156 -7.796 -1.439 -2.329 1.00 0.00 O ATOM 0 H GLY A 156 -11.035 -2.015 0.190 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.557 -3.309 -1.048 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.098 -2.564 -2.539 1.00 0.00 H new ATOM 507 N ARG A 157 -8.623 -0.565 -0.429 1.00 0.00 N ATOM 508 CA ARG A 157 -7.540 0.399 -0.268 1.00 0.00 C ATOM 509 C ARG A 157 -6.336 -0.246 0.408 1.00 0.00 C ATOM 510 O ARG A 157 -6.484 -1.014 1.359 1.00 0.00 O ATOM 511 CB ARG A 157 -8.023 1.601 0.547 1.00 0.00 C ATOM 512 CG ARG A 157 -6.963 2.669 0.746 1.00 0.00 C ATOM 513 CD ARG A 157 -7.538 3.908 1.411 1.00 0.00 C ATOM 514 NE ARG A 157 -8.747 4.377 0.740 1.00 0.00 N ATOM 515 CZ ARG A 157 -9.613 5.232 1.281 1.00 0.00 C ATOM 516 NH1 ARG A 157 -9.405 5.713 2.501 1.00 0.00 N ATOM 517 NH2 ARG A 157 -10.687 5.607 0.601 1.00 0.00 N ATOM 0 H ARG A 157 -9.331 -0.528 0.304 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.234 0.740 -1.257 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.884 2.045 0.048 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -8.364 1.254 1.522 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -6.153 2.270 1.357 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.532 2.939 -0.218 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -7.764 3.688 2.454 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -6.790 4.701 1.408 1.00 0.00 H new ATOM 0 HE ARG A 157 -8.940 4.029 -0.199 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -8.579 5.428 3.028 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -10.071 6.368 2.911 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -10.850 5.241 -0.337 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -11.350 6.262 1.016 1.00 0.00 H new ATOM 531 N VAL A 158 -5.143 0.063 -0.094 1.00 0.00 N ATOM 532 CA VAL A 158 -3.916 -0.498 0.457 1.00 0.00 C ATOM 533 C VAL A 158 -3.605 0.083 1.831 1.00 0.00 C ATOM 534 O VAL A 158 -3.732 1.286 2.058 1.00 0.00 O ATOM 535 CB VAL A 158 -2.708 -0.262 -0.480 1.00 0.00 C ATOM 536 CG1 VAL A 158 -1.390 -0.537 0.234 1.00 0.00 C ATOM 537 CG2 VAL A 158 -2.818 -1.134 -1.717 1.00 0.00 C ATOM 0 H VAL A 158 -5.002 0.698 -0.880 1.00 0.00 H new ATOM 0 HA VAL A 158 -4.083 -1.571 0.553 1.00 0.00 H new ATOM 0 HB VAL A 158 -2.721 0.786 -0.779 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -0.561 -0.362 -0.452 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -1.296 0.127 1.093 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -1.369 -1.573 0.572 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -1.960 -0.956 -2.365 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -2.838 -2.183 -1.422 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -3.735 -0.891 -2.253 1.00 0.00 H new ATOM 547 N LEU A 159 -3.178 -0.789 2.732 1.00 0.00 N ATOM 548 CA LEU A 159 -2.821 -0.391 4.083 1.00 0.00 C ATOM 549 C LEU A 159 -1.321 -0.548 4.288 1.00 0.00 C ATOM 550 O LEU A 159 -0.657 -1.246 3.523 1.00 0.00 O ATOM 551 CB LEU A 159 -3.577 -1.249 5.101 1.00 0.00 C ATOM 552 CG LEU A 159 -5.095 -1.032 5.150 1.00 0.00 C ATOM 553 CD1 LEU A 159 -5.663 -1.540 6.464 1.00 0.00 C ATOM 554 CD2 LEU A 159 -5.444 0.438 4.951 1.00 0.00 C ATOM 0 H LEU A 159 -3.070 -1.786 2.548 1.00 0.00 H new ATOM 0 HA LEU A 159 -3.095 0.654 4.228 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -3.385 -2.299 4.879 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -3.167 -1.052 6.092 1.00 0.00 H new ATOM 0 HG LEU A 159 -5.544 -1.599 4.335 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -6.741 -1.378 6.481 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -5.455 -2.605 6.563 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -5.202 -1.002 7.292 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -6.526 0.564 4.990 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -4.981 1.032 5.739 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -5.075 0.772 3.981 1.00 0.00 H new ATOM 566 N LYS A 160 -0.780 0.086 5.322 1.00 0.00 N ATOM 567 CA LYS A 160 0.647 -0.026 5.592 1.00 0.00 C ATOM 568 C LYS A 160 1.029 -1.494 5.739 1.00 0.00 C ATOM 569 O LYS A 160 2.133 -1.900 5.380 1.00 0.00 O ATOM 570 CB LYS A 160 1.032 0.751 6.851 1.00 0.00 C ATOM 571 CG LYS A 160 2.531 0.963 6.996 1.00 0.00 C ATOM 572 CD LYS A 160 2.964 0.906 8.452 1.00 0.00 C ATOM 573 CE LYS A 160 4.351 0.299 8.597 1.00 0.00 C ATOM 574 NZ LYS A 160 5.011 0.717 9.865 1.00 0.00 N ATOM 0 H LYS A 160 -1.298 0.673 5.976 1.00 0.00 H new ATOM 0 HA LYS A 160 1.192 0.406 4.753 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.535 1.721 6.836 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.662 0.217 7.726 1.00 0.00 H new ATOM 0 HG2 LYS A 160 3.064 0.201 6.427 1.00 0.00 H new ATOM 0 HG3 LYS A 160 2.806 1.929 6.571 1.00 0.00 H new ATOM 0 HD2 LYS A 160 2.960 1.911 8.874 1.00 0.00 H new ATOM 0 HD3 LYS A 160 2.246 0.317 9.023 1.00 0.00 H new ATOM 0 HE2 LYS A 160 4.276 -0.788 8.568 1.00 0.00 H new ATOM 0 HE3 LYS A 160 4.969 0.599 7.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 5.954 0.282 9.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 5.106 1.753 9.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 4.435 0.409 10.674 1.00 0.00 H new ATOM 588 N GLU A 161 0.091 -2.289 6.245 1.00 0.00 N ATOM 589 CA GLU A 161 0.314 -3.717 6.410 1.00 0.00 C ATOM 590 C GLU A 161 0.473 -4.362 5.041 1.00 0.00 C ATOM 591 O GLU A 161 1.280 -5.274 4.858 1.00 0.00 O ATOM 592 CB GLU A 161 -0.851 -4.360 7.166 1.00 0.00 C ATOM 593 CG GLU A 161 -1.119 -3.725 8.522 1.00 0.00 C ATOM 594 CD GLU A 161 -1.248 -4.750 9.632 1.00 0.00 C ATOM 595 OE1 GLU A 161 -1.557 -5.921 9.326 1.00 0.00 O ATOM 596 OE2 GLU A 161 -1.037 -4.382 10.806 1.00 0.00 O ATOM 0 H GLU A 161 -0.829 -1.967 6.547 1.00 0.00 H new ATOM 0 HA GLU A 161 1.222 -3.871 6.992 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -1.752 -4.290 6.557 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -0.642 -5.421 7.305 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -0.310 -3.035 8.762 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -2.035 -3.136 8.468 1.00 0.00 H new ATOM 603 N ASP A 162 -0.292 -3.859 4.074 1.00 0.00 N ATOM 604 CA ASP A 162 -0.226 -4.363 2.708 1.00 0.00 C ATOM 605 C ASP A 162 1.158 -4.100 2.131 1.00 0.00 C ATOM 606 O ASP A 162 1.808 -4.998 1.595 1.00 0.00 O ATOM 607 CB ASP A 162 -1.289 -3.692 1.842 1.00 0.00 C ATOM 608 CG ASP A 162 -2.621 -4.414 1.887 1.00 0.00 C ATOM 609 OD1 ASP A 162 -2.641 -5.641 1.657 1.00 0.00 O ATOM 610 OD2 ASP A 162 -3.644 -3.750 2.156 1.00 0.00 O ATOM 0 H ASP A 162 -0.963 -3.104 4.213 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.414 -5.437 2.718 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.427 -2.663 2.175 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -0.938 -3.649 0.811 1.00 0.00 H new ATOM 615 N ILE A 163 1.603 -2.855 2.265 1.00 0.00 N ATOM 616 CA ILE A 163 2.916 -2.443 1.780 1.00 0.00 C ATOM 617 C ILE A 163 4.003 -3.363 2.321 1.00 0.00 C ATOM 618 O ILE A 163 4.781 -3.940 1.561 1.00 0.00 O ATOM 619 CB ILE A 163 3.247 -1.001 2.218 1.00 0.00 C ATOM 620 CG1 ILE A 163 2.101 -0.053 1.878 1.00 0.00 C ATOM 621 CG2 ILE A 163 4.546 -0.528 1.571 1.00 0.00 C ATOM 622 CD1 ILE A 163 1.738 -0.061 0.418 1.00 0.00 C ATOM 0 H ILE A 163 1.069 -2.108 2.709 1.00 0.00 H new ATOM 0 HA ILE A 163 2.884 -2.497 0.692 1.00 0.00 H new ATOM 0 HB ILE A 163 3.380 -0.997 3.300 1.00 0.00 H new ATOM 0 HG12 ILE A 163 1.225 -0.328 2.465 1.00 0.00 H new ATOM 0 HG13 ILE A 163 2.377 0.960 2.172 1.00 0.00 H new ATOM 0 HG21 ILE A 163 4.762 0.491 1.892 1.00 0.00 H new ATOM 0 HG22 ILE A 163 5.362 -1.184 1.872 1.00 0.00 H new ATOM 0 HG23 ILE A 163 4.442 -0.552 0.486 1.00 0.00 H new ATOM 0 HD11 ILE A 163 0.917 0.634 0.243 1.00 0.00 H new ATOM 0 HD12 ILE A 163 2.602 0.242 -0.173 1.00 0.00 H new ATOM 0 HD13 ILE A 163 1.432 -1.065 0.125 1.00 0.00 H new ATOM 634 N ASP A 164 4.047 -3.496 3.644 1.00 0.00 N ATOM 635 CA ASP A 164 5.035 -4.346 4.295 1.00 0.00 C ATOM 636 C ASP A 164 4.960 -5.770 3.754 1.00 0.00 C ATOM 637 O ASP A 164 5.983 -6.419 3.541 1.00 0.00 O ATOM 638 CB ASP A 164 4.817 -4.349 5.810 1.00 0.00 C ATOM 639 CG ASP A 164 6.054 -4.783 6.571 1.00 0.00 C ATOM 640 OD1 ASP A 164 7.171 -4.426 6.142 1.00 0.00 O ATOM 641 OD2 ASP A 164 5.906 -5.481 7.597 1.00 0.00 O ATOM 0 H ASP A 164 3.409 -3.025 4.285 1.00 0.00 H new ATOM 0 HA ASP A 164 6.026 -3.945 4.081 1.00 0.00 H new ATOM 0 HB2 ASP A 164 4.526 -3.350 6.134 1.00 0.00 H new ATOM 0 HB3 ASP A 164 3.991 -5.017 6.054 1.00 0.00 H new ATOM 646 N ALA A 165 3.739 -6.246 3.528 1.00 0.00 N ATOM 647 CA ALA A 165 3.529 -7.588 3.003 1.00 0.00 C ATOM 648 C ALA A 165 4.179 -7.738 1.633 1.00 0.00 C ATOM 649 O ALA A 165 4.728 -8.789 1.305 1.00 0.00 O ATOM 650 CB ALA A 165 2.042 -7.899 2.922 1.00 0.00 C ATOM 0 H ALA A 165 2.882 -5.721 3.701 1.00 0.00 H new ATOM 0 HA ALA A 165 3.997 -8.299 3.684 1.00 0.00 H new ATOM 0 HB1 ALA A 165 1.902 -8.905 2.528 1.00 0.00 H new ATOM 0 HB2 ALA A 165 1.602 -7.835 3.917 1.00 0.00 H new ATOM 0 HB3 ALA A 165 1.555 -7.180 2.263 1.00 0.00 H new ATOM 656 N TRP A 166 4.119 -6.673 0.839 1.00 0.00 N ATOM 657 CA TRP A 166 4.708 -6.681 -0.495 1.00 0.00 C ATOM 658 C TRP A 166 6.209 -6.929 -0.416 1.00 0.00 C ATOM 659 O TRP A 166 6.729 -7.872 -1.014 1.00 0.00 O ATOM 660 CB TRP A 166 4.444 -5.346 -1.194 1.00 0.00 C ATOM 661 CG TRP A 166 4.713 -5.379 -2.668 1.00 0.00 C ATOM 662 CD1 TRP A 166 5.633 -4.636 -3.348 1.00 0.00 C ATOM 663 CD2 TRP A 166 4.055 -6.197 -3.643 1.00 0.00 C ATOM 664 NE1 TRP A 166 5.588 -4.938 -4.688 1.00 0.00 N ATOM 665 CE2 TRP A 166 4.628 -5.894 -4.894 1.00 0.00 C ATOM 666 CE3 TRP A 166 3.039 -7.155 -3.583 1.00 0.00 C ATOM 667 CZ2 TRP A 166 4.218 -6.514 -6.071 1.00 0.00 C ATOM 668 CZ3 TRP A 166 2.633 -7.769 -4.752 1.00 0.00 C ATOM 669 CH2 TRP A 166 3.222 -7.448 -5.981 1.00 0.00 C ATOM 0 H TRP A 166 3.669 -5.795 1.096 1.00 0.00 H new ATOM 0 HA TRP A 166 4.248 -7.486 -1.068 1.00 0.00 H new ATOM 0 HB2 TRP A 166 3.406 -5.057 -1.029 1.00 0.00 H new ATOM 0 HB3 TRP A 166 5.066 -4.576 -0.736 1.00 0.00 H new ATOM 0 HD1 TRP A 166 6.300 -3.915 -2.899 1.00 0.00 H new ATOM 0 HE1 TRP A 166 6.173 -4.519 -5.411 1.00 0.00 H new ATOM 0 HE3 TRP A 166 2.580 -7.411 -2.640 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 4.669 -6.267 -7.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 1.848 -8.510 -4.717 1.00 0.00 H new ATOM 0 HH2 TRP A 166 2.883 -7.948 -6.876 1.00 0.00 H new ATOM 680 N LEU A 167 6.897 -6.071 0.327 1.00 0.00 N ATOM 681 CA LEU A 167 8.342 -6.184 0.495 1.00 0.00 C ATOM 682 C LEU A 167 8.707 -7.468 1.234 1.00 0.00 C ATOM 683 O LEU A 167 9.759 -8.058 0.990 1.00 0.00 O ATOM 684 CB LEU A 167 8.877 -4.971 1.257 1.00 0.00 C ATOM 685 CG LEU A 167 8.513 -3.617 0.644 1.00 0.00 C ATOM 686 CD1 LEU A 167 7.871 -2.710 1.684 1.00 0.00 C ATOM 687 CD2 LEU A 167 9.741 -2.952 0.041 1.00 0.00 C ATOM 0 H LEU A 167 6.477 -5.286 0.825 1.00 0.00 H new ATOM 0 HA LEU A 167 8.799 -6.217 -0.494 1.00 0.00 H new ATOM 0 HB2 LEU A 167 8.498 -5.005 2.279 1.00 0.00 H new ATOM 0 HB3 LEU A 167 9.963 -5.047 1.317 1.00 0.00 H new ATOM 0 HG LEU A 167 7.790 -3.789 -0.153 1.00 0.00 H new ATOM 0 HD11 LEU A 167 7.620 -1.753 1.227 1.00 0.00 H new ATOM 0 HD12 LEU A 167 6.964 -3.179 2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 167 8.569 -2.548 2.506 1.00 0.00 H new ATOM 0 HD21 LEU A 167 9.460 -1.991 -0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 167 10.489 -2.797 0.818 1.00 0.00 H new ATOM 0 HD23 LEU A 167 10.155 -3.591 -0.739 1.00 0.00 H new ATOM 699 N ALA A 168 7.833 -7.893 2.140 1.00 0.00 N ATOM 700 CA ALA A 168 8.067 -9.105 2.915 1.00 0.00 C ATOM 701 C ALA A 168 7.747 -10.355 2.100 1.00 0.00 C ATOM 702 O ALA A 168 8.281 -11.433 2.364 1.00 0.00 O ATOM 703 CB ALA A 168 7.235 -9.081 4.189 1.00 0.00 C ATOM 0 H ALA A 168 6.957 -7.416 2.355 1.00 0.00 H new ATOM 0 HA ALA A 168 9.124 -9.138 3.179 1.00 0.00 H new ATOM 0 HB1 ALA A 168 7.418 -9.991 4.760 1.00 0.00 H new ATOM 0 HB2 ALA A 168 7.513 -8.214 4.789 1.00 0.00 H new ATOM 0 HB3 ALA A 168 6.178 -9.020 3.932 1.00 0.00 H new