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 150:sc= 0.255 USER MOD Set 1.2: A 142 LYS NZ :NH3+ 158:sc= 0.584 (180deg=-0.366) USER MOD Set 1.3: A 160 LYS NZ :NH3+ -155:sc= 0.0142 (180deg=0) 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= -0.0124 X(o=-0.012,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= -0.373 X(o=-0.37,f=0) USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 130 -5.081 3.168 -5.030 1.00 0.00 N ATOM 82 CA ILE A 130 -5.933 3.276 -3.854 1.00 0.00 C ATOM 83 C ILE A 130 -5.155 2.924 -2.593 1.00 0.00 C ATOM 84 O ILE A 130 -4.762 1.775 -2.390 1.00 0.00 O ATOM 85 CB ILE A 130 -7.169 2.363 -3.968 1.00 0.00 C ATOM 86 CG1 ILE A 130 -7.910 2.655 -5.271 1.00 0.00 C ATOM 87 CG2 ILE A 130 -8.094 2.559 -2.774 1.00 0.00 C ATOM 88 CD1 ILE A 130 -7.511 1.746 -6.413 1.00 0.00 C ATOM 0 HA ILE A 130 -6.271 4.310 -3.792 1.00 0.00 H new ATOM 0 HB ILE A 130 -6.838 1.324 -3.973 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -8.982 2.559 -5.099 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -7.725 3.690 -5.560 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -8.960 1.905 -2.874 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -7.560 2.315 -1.856 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -8.425 3.597 -2.737 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -8.078 2.012 -7.305 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -6.446 1.859 -6.613 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -7.722 0.711 -6.145 1.00 0.00 H new ATOM 100 N ALA A 131 -4.930 3.925 -1.754 1.00 0.00 N ATOM 101 CA ALA A 131 -4.191 3.734 -0.512 1.00 0.00 C ATOM 102 C ALA A 131 -4.305 4.960 0.388 1.00 0.00 C ATOM 103 O ALA A 131 -4.496 6.077 -0.092 1.00 0.00 O ATOM 104 CB ALA A 131 -2.731 3.434 -0.810 1.00 0.00 C ATOM 0 H ALA A 131 -5.249 4.881 -1.911 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.627 2.885 0.015 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.190 3.293 0.126 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -2.661 2.526 -1.409 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.293 4.267 -1.360 1.00 0.00 H new ATOM 110 N MET A 132 -4.183 4.746 1.694 1.00 0.00 N ATOM 111 CA MET A 132 -4.269 5.837 2.656 1.00 0.00 C ATOM 112 C MET A 132 -3.201 6.892 2.371 1.00 0.00 C ATOM 113 O MET A 132 -2.105 6.568 1.914 1.00 0.00 O ATOM 114 CB MET A 132 -4.113 5.300 4.080 1.00 0.00 C ATOM 115 CG MET A 132 -5.424 5.212 4.845 1.00 0.00 C ATOM 116 SD MET A 132 -5.431 6.220 6.341 1.00 0.00 S ATOM 117 CE MET A 132 -5.108 4.975 7.588 1.00 0.00 C ATOM 0 H MET A 132 -4.024 3.828 2.109 1.00 0.00 H new ATOM 0 HA MET A 132 -5.249 6.304 2.560 1.00 0.00 H new ATOM 0 HB2 MET A 132 -3.659 4.310 4.038 1.00 0.00 H new ATOM 0 HB3 MET A 132 -3.425 5.943 4.628 1.00 0.00 H new ATOM 0 HG2 MET A 132 -6.240 5.529 4.195 1.00 0.00 H new ATOM 0 HG3 MET A 132 -5.614 4.172 5.112 1.00 0.00 H new ATOM 0 HE1 MET A 132 -5.082 5.444 8.572 1.00 0.00 H new ATOM 0 HE2 MET A 132 -5.897 4.223 7.565 1.00 0.00 H new ATOM 0 HE3 MET A 132 -4.148 4.499 7.387 1.00 0.00 H new ATOM 127 N PRO A 133 -3.508 8.174 2.637 1.00 0.00 N ATOM 128 CA PRO A 133 -2.569 9.275 2.404 1.00 0.00 C ATOM 129 C PRO A 133 -1.198 9.012 3.020 1.00 0.00 C ATOM 130 O PRO A 133 -0.191 9.560 2.570 1.00 0.00 O ATOM 131 CB PRO A 133 -3.243 10.466 3.088 1.00 0.00 C ATOM 132 CG PRO A 133 -4.697 10.145 3.056 1.00 0.00 C ATOM 133 CD PRO A 133 -4.795 8.650 3.182 1.00 0.00 C ATOM 0 HA PRO A 133 -2.377 9.428 1.342 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -2.887 10.589 4.111 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -3.031 11.397 2.562 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -5.224 10.641 3.871 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -5.152 10.489 2.127 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -4.930 8.342 4.219 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -5.640 8.254 2.619 1.00 0.00 H new ATOM 141 N SER A 134 -1.166 8.176 4.051 1.00 0.00 N ATOM 142 CA SER A 134 0.084 7.846 4.728 1.00 0.00 C ATOM 143 C SER A 134 0.740 6.619 4.102 1.00 0.00 C ATOM 144 O SER A 134 1.966 6.520 4.044 1.00 0.00 O ATOM 145 CB SER A 134 -0.169 7.599 6.217 1.00 0.00 C ATOM 146 OG SER A 134 1.038 7.666 6.957 1.00 0.00 O ATOM 0 H SER A 134 -1.990 7.714 4.437 1.00 0.00 H new ATOM 0 HA SER A 134 0.761 8.692 4.615 1.00 0.00 H new ATOM 0 HB2 SER A 134 -0.874 8.339 6.597 1.00 0.00 H new ATOM 0 HB3 SER A 134 -0.629 6.620 6.354 1.00 0.00 H new ATOM 0 HG SER A 134 0.850 7.506 7.905 1.00 0.00 H new ATOM 152 N VAL A 135 -0.083 5.684 3.638 1.00 0.00 N ATOM 153 CA VAL A 135 0.425 4.464 3.021 1.00 0.00 C ATOM 154 C VAL A 135 1.159 4.765 1.728 1.00 0.00 C ATOM 155 O VAL A 135 2.230 4.219 1.472 1.00 0.00 O ATOM 156 CB VAL A 135 -0.701 3.464 2.726 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.134 2.180 2.140 1.00 0.00 C ATOM 158 CG2 VAL A 135 -1.490 3.181 3.989 1.00 0.00 C ATOM 0 H VAL A 135 -1.100 5.747 3.677 1.00 0.00 H new ATOM 0 HA VAL A 135 1.116 4.021 3.739 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.375 3.900 1.989 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -0.947 1.483 1.937 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.392 2.405 1.212 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.560 1.731 2.851 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.287 2.470 3.769 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -0.827 2.760 4.745 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -1.924 4.108 4.362 1.00 0.00 H new ATOM 168 N ARG A 136 0.585 5.640 0.917 1.00 0.00 N ATOM 169 CA ARG A 136 1.204 6.007 -0.346 1.00 0.00 C ATOM 170 C ARG A 136 2.627 6.495 -0.099 1.00 0.00 C ATOM 171 O ARG A 136 3.511 6.321 -0.935 1.00 0.00 O ATOM 172 CB ARG A 136 0.392 7.101 -1.043 1.00 0.00 C ATOM 173 CG ARG A 136 -1.065 6.734 -1.269 1.00 0.00 C ATOM 174 CD ARG A 136 -1.721 7.661 -2.280 1.00 0.00 C ATOM 175 NE ARG A 136 -2.033 8.968 -1.706 1.00 0.00 N ATOM 176 CZ ARG A 136 -3.215 9.291 -1.180 1.00 0.00 C ATOM 177 NH1 ARG A 136 -4.201 8.404 -1.143 1.00 0.00 N ATOM 178 NH2 ARG A 136 -3.408 10.506 -0.687 1.00 0.00 N ATOM 0 H ARG A 136 -0.302 6.106 1.109 1.00 0.00 H new ATOM 0 HA ARG A 136 1.230 5.129 -0.992 1.00 0.00 H new ATOM 0 HB2 ARG A 136 0.439 8.012 -0.446 1.00 0.00 H new ATOM 0 HB3 ARG A 136 0.854 7.326 -2.004 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -1.132 5.704 -1.620 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -1.605 6.784 -0.324 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -1.058 7.790 -3.136 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -2.636 7.201 -2.652 1.00 0.00 H new ATOM 0 HE ARG A 136 -1.301 9.678 -1.708 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -4.058 7.467 -1.519 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -5.102 8.660 -0.739 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -2.653 11.192 -0.710 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -4.311 10.755 -0.284 1.00 0.00 H new ATOM 192 N LYS A 137 2.837 7.088 1.073 1.00 0.00 N ATOM 193 CA LYS A 137 4.146 7.585 1.460 1.00 0.00 C ATOM 194 C LYS A 137 5.035 6.437 1.905 1.00 0.00 C ATOM 195 O LYS A 137 6.219 6.381 1.568 1.00 0.00 O ATOM 196 CB LYS A 137 4.015 8.612 2.588 1.00 0.00 C ATOM 197 CG LYS A 137 5.332 9.269 2.968 1.00 0.00 C ATOM 198 CD LYS A 137 5.654 10.444 2.056 1.00 0.00 C ATOM 199 CE LYS A 137 5.443 11.773 2.764 1.00 0.00 C ATOM 200 NZ LYS A 137 6.209 12.874 2.117 1.00 0.00 N ATOM 0 H LYS A 137 2.109 7.235 1.773 1.00 0.00 H new ATOM 0 HA LYS A 137 4.600 8.069 0.595 1.00 0.00 H new ATOM 0 HB2 LYS A 137 3.308 9.384 2.285 1.00 0.00 H new ATOM 0 HB3 LYS A 137 3.596 8.122 3.467 1.00 0.00 H new ATOM 0 HG2 LYS A 137 5.284 9.612 4.001 1.00 0.00 H new ATOM 0 HG3 LYS A 137 6.135 8.534 2.913 1.00 0.00 H new ATOM 0 HD2 LYS A 137 6.688 10.371 1.718 1.00 0.00 H new ATOM 0 HD3 LYS A 137 5.024 10.400 1.168 1.00 0.00 H new ATOM 0 HE2 LYS A 137 4.381 12.020 2.764 1.00 0.00 H new ATOM 0 HE3 LYS A 137 5.749 11.682 3.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 6.039 13.763 2.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 7.224 12.650 2.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 5.900 12.978 1.130 1.00 0.00 H new ATOM 214 N TYR A 138 4.453 5.523 2.675 1.00 0.00 N ATOM 215 CA TYR A 138 5.188 4.376 3.180 1.00 0.00 C ATOM 216 C TYR A 138 5.651 3.481 2.038 1.00 0.00 C ATOM 217 O TYR A 138 6.820 3.107 1.967 1.00 0.00 O ATOM 218 CB TYR A 138 4.307 3.579 4.131 1.00 0.00 C ATOM 219 CG TYR A 138 4.970 2.321 4.633 1.00 0.00 C ATOM 220 CD1 TYR A 138 6.130 2.380 5.394 1.00 0.00 C ATOM 221 CD2 TYR A 138 4.446 1.074 4.328 1.00 0.00 C ATOM 222 CE1 TYR A 138 6.747 1.228 5.840 1.00 0.00 C ATOM 223 CE2 TYR A 138 5.057 -0.080 4.768 1.00 0.00 C ATOM 224 CZ TYR A 138 6.207 -0.001 5.525 1.00 0.00 C ATOM 225 OH TYR A 138 6.818 -1.152 5.965 1.00 0.00 O ATOM 0 H TYR A 138 3.475 5.557 2.961 1.00 0.00 H new ATOM 0 HA TYR A 138 6.067 4.739 3.712 1.00 0.00 H new ATOM 0 HB2 TYR A 138 4.039 4.206 4.981 1.00 0.00 H new ATOM 0 HB3 TYR A 138 3.379 3.316 3.624 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.556 3.341 5.641 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.545 1.006 3.736 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.648 1.289 6.432 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.637 -1.044 4.521 1.00 0.00 H new ATOM 0 HH TYR A 138 6.143 -1.850 6.100 1.00 0.00 H new ATOM 235 N ALA A 139 4.737 3.169 1.128 1.00 0.00 N ATOM 236 CA ALA A 139 5.071 2.352 -0.023 1.00 0.00 C ATOM 237 C ALA A 139 6.046 3.115 -0.896 1.00 0.00 C ATOM 238 O ALA A 139 7.060 2.586 -1.332 1.00 0.00 O ATOM 239 CB ALA A 139 3.820 1.993 -0.812 1.00 0.00 C ATOM 0 H ALA A 139 3.763 3.470 1.167 1.00 0.00 H new ATOM 0 HA ALA A 139 5.528 1.422 0.314 1.00 0.00 H new ATOM 0 HB1 ALA A 139 4.095 1.380 -1.671 1.00 0.00 H new ATOM 0 HB2 ALA A 139 3.134 1.436 -0.173 1.00 0.00 H new ATOM 0 HB3 ALA A 139 3.334 2.905 -1.158 1.00 0.00 H new ATOM 245 N ARG A 140 5.738 4.384 -1.116 1.00 0.00 N ATOM 246 CA ARG A 140 6.593 5.245 -1.915 1.00 0.00 C ATOM 247 C ARG A 140 8.017 5.242 -1.361 1.00 0.00 C ATOM 248 O ARG A 140 8.987 5.372 -2.108 1.00 0.00 O ATOM 249 CB ARG A 140 6.030 6.669 -1.920 1.00 0.00 C ATOM 250 CG ARG A 140 6.897 7.668 -2.671 1.00 0.00 C ATOM 251 CD ARG A 140 6.136 8.310 -3.819 1.00 0.00 C ATOM 252 NE ARG A 140 6.941 8.384 -5.036 1.00 0.00 N ATOM 253 CZ ARG A 140 6.511 8.919 -6.177 1.00 0.00 C ATOM 254 NH1 ARG A 140 5.288 9.428 -6.260 1.00 0.00 N ATOM 255 NH2 ARG A 140 7.307 8.946 -7.237 1.00 0.00 N ATOM 0 H ARG A 140 4.901 4.840 -0.752 1.00 0.00 H new ATOM 0 HA ARG A 140 6.620 4.868 -2.937 1.00 0.00 H new ATOM 0 HB2 ARG A 140 5.036 6.655 -2.368 1.00 0.00 H new ATOM 0 HB3 ARG A 140 5.911 7.007 -0.890 1.00 0.00 H new ATOM 0 HG2 ARG A 140 7.242 8.441 -1.984 1.00 0.00 H new ATOM 0 HG3 ARG A 140 7.784 7.165 -3.057 1.00 0.00 H new ATOM 0 HD2 ARG A 140 5.230 7.738 -4.018 1.00 0.00 H new ATOM 0 HD3 ARG A 140 5.823 9.313 -3.530 1.00 0.00 H new ATOM 0 HE ARG A 140 7.887 8.004 -5.010 1.00 0.00 H new ATOM 0 HH11 ARG A 140 4.672 9.411 -5.447 1.00 0.00 H new ATOM 0 HH12 ARG A 140 4.964 9.837 -7.137 1.00 0.00 H new ATOM 0 HH21 ARG A 140 8.248 8.557 -7.178 1.00 0.00 H new ATOM 0 HH22 ARG A 140 6.978 9.356 -8.111 1.00 0.00 H new ATOM 269 N GLU A 141 8.132 5.084 -0.043 1.00 0.00 N ATOM 270 CA GLU A 141 9.427 5.054 0.619 1.00 0.00 C ATOM 271 C GLU A 141 10.033 3.659 0.580 1.00 0.00 C ATOM 272 O GLU A 141 11.242 3.496 0.420 1.00 0.00 O ATOM 273 CB GLU A 141 9.281 5.515 2.069 1.00 0.00 C ATOM 274 CG GLU A 141 9.118 7.017 2.221 1.00 0.00 C ATOM 275 CD GLU A 141 10.434 7.726 2.464 1.00 0.00 C ATOM 276 OE1 GLU A 141 11.489 7.159 2.109 1.00 0.00 O ATOM 277 OE2 GLU A 141 10.413 8.849 3.011 1.00 0.00 O ATOM 0 H GLU A 141 7.337 4.975 0.587 1.00 0.00 H new ATOM 0 HA GLU A 141 10.095 5.731 0.087 1.00 0.00 H new ATOM 0 HB2 GLU A 141 8.418 5.019 2.513 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.158 5.195 2.632 1.00 0.00 H new ATOM 0 HG2 GLU A 141 8.653 7.421 1.322 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.441 7.223 3.050 1.00 0.00 H new ATOM 284 N LYS A 142 9.180 2.656 0.746 1.00 0.00 N ATOM 285 CA LYS A 142 9.612 1.267 0.752 1.00 0.00 C ATOM 286 C LYS A 142 9.742 0.702 -0.663 1.00 0.00 C ATOM 287 O LYS A 142 9.597 -0.504 -0.866 1.00 0.00 O ATOM 288 CB LYS A 142 8.605 0.436 1.548 1.00 0.00 C ATOM 289 CG LYS A 142 8.554 0.764 3.037 1.00 0.00 C ATOM 290 CD LYS A 142 9.932 1.059 3.609 1.00 0.00 C ATOM 291 CE LYS A 142 9.857 1.427 5.082 1.00 0.00 C ATOM 292 NZ LYS A 142 9.683 0.227 5.945 1.00 0.00 N ATOM 0 H LYS A 142 8.177 2.782 0.879 1.00 0.00 H new ATOM 0 HA LYS A 142 10.598 1.220 1.215 1.00 0.00 H new ATOM 0 HB2 LYS A 142 7.613 0.584 1.122 1.00 0.00 H new ATOM 0 HB3 LYS A 142 8.849 -0.620 1.429 1.00 0.00 H new ATOM 0 HG2 LYS A 142 7.905 1.625 3.195 1.00 0.00 H new ATOM 0 HG3 LYS A 142 8.110 -0.073 3.576 1.00 0.00 H new ATOM 0 HD2 LYS A 142 10.574 0.187 3.483 1.00 0.00 H new ATOM 0 HD3 LYS A 142 10.391 1.876 3.052 1.00 0.00 H new ATOM 0 HE2 LYS A 142 10.766 1.954 5.371 1.00 0.00 H new ATOM 0 HE3 LYS A 142 9.026 2.114 5.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 10.001 0.445 6.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 8.679 -0.044 5.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 10.247 -0.559 5.564 1.00 0.00 H new ATOM 306 N GLY A 143 10.006 1.566 -1.644 1.00 0.00 N ATOM 307 CA GLY A 143 10.135 1.101 -3.018 1.00 0.00 C ATOM 308 C GLY A 143 8.923 0.302 -3.466 1.00 0.00 C ATOM 309 O GLY A 143 8.997 -0.494 -4.403 1.00 0.00 O ATOM 0 H GLY A 143 10.132 2.570 -1.514 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.269 1.957 -3.679 1.00 0.00 H new ATOM 0 HA3 GLY A 143 11.029 0.485 -3.109 1.00 0.00 H new ATOM 313 N VAL A 144 7.809 0.522 -2.781 1.00 0.00 N ATOM 314 CA VAL A 144 6.555 -0.160 -3.067 1.00 0.00 C ATOM 315 C VAL A 144 5.556 0.784 -3.718 1.00 0.00 C ATOM 316 O VAL A 144 5.388 1.924 -3.285 1.00 0.00 O ATOM 317 CB VAL A 144 5.924 -0.703 -1.772 1.00 0.00 C ATOM 318 CG1 VAL A 144 4.632 -1.448 -2.069 1.00 0.00 C ATOM 319 CG2 VAL A 144 6.904 -1.588 -1.024 1.00 0.00 C ATOM 0 H VAL A 144 7.750 1.183 -2.006 1.00 0.00 H new ATOM 0 HA VAL A 144 6.784 -0.981 -3.747 1.00 0.00 H new ATOM 0 HB VAL A 144 5.681 0.145 -1.132 1.00 0.00 H new ATOM 0 HG11 VAL A 144 4.205 -1.822 -1.138 1.00 0.00 H new ATOM 0 HG12 VAL A 144 3.923 -0.771 -2.547 1.00 0.00 H new ATOM 0 HG13 VAL A 144 4.840 -2.285 -2.735 1.00 0.00 H new ATOM 0 HG21 VAL A 144 6.436 -1.960 -0.113 1.00 0.00 H new ATOM 0 HG22 VAL A 144 7.189 -2.430 -1.655 1.00 0.00 H new ATOM 0 HG23 VAL A 144 7.792 -1.011 -0.766 1.00 0.00 H new ATOM 329 N ASP A 145 4.870 0.289 -4.733 1.00 0.00 N ATOM 330 CA ASP A 145 3.857 1.064 -5.419 1.00 0.00 C ATOM 331 C ASP A 145 2.512 0.391 -5.213 1.00 0.00 C ATOM 332 O ASP A 145 2.366 -0.802 -5.463 1.00 0.00 O ATOM 333 CB ASP A 145 4.178 1.185 -6.909 1.00 0.00 C ATOM 334 CG ASP A 145 3.356 2.259 -7.593 1.00 0.00 C ATOM 335 OD1 ASP A 145 2.137 2.332 -7.328 1.00 0.00 O ATOM 336 OD2 ASP A 145 3.930 3.028 -8.393 1.00 0.00 O ATOM 0 H ASP A 145 4.999 -0.654 -5.101 1.00 0.00 H new ATOM 0 HA ASP A 145 3.831 2.074 -5.009 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.238 1.409 -7.032 1.00 0.00 H new ATOM 0 HB3 ASP A 145 3.996 0.227 -7.396 1.00 0.00 H new ATOM 341 N ILE A 146 1.537 1.148 -4.733 1.00 0.00 N ATOM 342 CA ILE A 146 0.209 0.603 -4.475 1.00 0.00 C ATOM 343 C ILE A 146 -0.297 -0.230 -5.655 1.00 0.00 C ATOM 344 O ILE A 146 -1.114 -1.134 -5.481 1.00 0.00 O ATOM 345 CB ILE A 146 -0.809 1.722 -4.175 1.00 0.00 C ATOM 346 CG1 ILE A 146 -0.274 2.664 -3.091 1.00 0.00 C ATOM 347 CG2 ILE A 146 -2.143 1.128 -3.747 1.00 0.00 C ATOM 348 CD1 ILE A 146 -0.023 1.980 -1.763 1.00 0.00 C ATOM 0 H ILE A 146 1.638 2.139 -4.514 1.00 0.00 H new ATOM 0 HA ILE A 146 0.302 -0.041 -3.601 1.00 0.00 H new ATOM 0 HB ILE A 146 -0.961 2.298 -5.088 1.00 0.00 H new ATOM 0 HG12 ILE A 146 0.655 3.115 -3.439 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -0.986 3.476 -2.943 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -2.849 1.932 -3.539 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -2.534 0.499 -4.546 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -2.002 0.527 -2.848 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.354 2.708 -1.045 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -0.955 1.553 -1.392 1.00 0.00 H new ATOM 0 HD13 ILE A 146 0.712 1.186 -1.896 1.00 0.00 H new ATOM 360 N ARG A 147 0.204 0.067 -6.853 1.00 0.00 N ATOM 361 CA ARG A 147 -0.201 -0.664 -8.051 1.00 0.00 C ATOM 362 C ARG A 147 0.195 -2.130 -7.939 1.00 0.00 C ATOM 363 O ARG A 147 -0.532 -3.023 -8.379 1.00 0.00 O ATOM 364 CB ARG A 147 0.436 -0.044 -9.296 1.00 0.00 C ATOM 365 CG ARG A 147 0.381 1.476 -9.316 1.00 0.00 C ATOM 366 CD ARG A 147 -0.478 1.997 -10.460 1.00 0.00 C ATOM 367 NE ARG A 147 0.315 2.706 -11.460 1.00 0.00 N ATOM 368 CZ ARG A 147 -0.197 3.561 -12.343 1.00 0.00 C ATOM 369 NH1 ARG A 147 -1.500 3.814 -12.353 1.00 0.00 N ATOM 370 NH2 ARG A 147 0.596 4.165 -13.217 1.00 0.00 N ATOM 0 H ARG A 147 0.888 0.805 -7.019 1.00 0.00 H new ATOM 0 HA ARG A 147 -1.285 -0.599 -8.142 1.00 0.00 H new ATOM 0 HB2 ARG A 147 1.477 -0.362 -9.358 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -0.069 -0.429 -10.182 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -0.018 1.838 -8.368 1.00 0.00 H new ATOM 0 HG3 ARG A 147 1.391 1.875 -9.409 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -0.996 1.163 -10.933 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -1.243 2.665 -10.064 1.00 0.00 H new ATOM 0 HE ARG A 147 1.321 2.536 -11.484 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -2.114 3.353 -11.682 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -1.887 4.470 -13.032 1.00 0.00 H new ATOM 0 HH21 ARG A 147 1.598 3.975 -13.213 1.00 0.00 H new ATOM 0 HH22 ARG A 147 0.204 4.820 -13.894 1.00 0.00 H new ATOM 384 N LEU A 148 1.352 -2.363 -7.337 1.00 0.00 N ATOM 385 CA LEU A 148 1.871 -3.706 -7.141 1.00 0.00 C ATOM 386 C LEU A 148 1.333 -4.314 -5.847 1.00 0.00 C ATOM 387 O LEU A 148 1.565 -5.488 -5.561 1.00 0.00 O ATOM 388 CB LEU A 148 3.401 -3.671 -7.092 1.00 0.00 C ATOM 389 CG LEU A 148 4.046 -2.474 -7.793 1.00 0.00 C ATOM 390 CD1 LEU A 148 5.552 -2.486 -7.610 1.00 0.00 C ATOM 391 CD2 LEU A 148 3.688 -2.462 -9.271 1.00 0.00 C ATOM 0 H LEU A 148 1.956 -1.627 -6.972 1.00 0.00 H new ATOM 0 HA LEU A 148 1.545 -4.324 -7.978 1.00 0.00 H new ATOM 0 HB2 LEU A 148 3.716 -3.674 -6.048 1.00 0.00 H new ATOM 0 HB3 LEU A 148 3.784 -4.586 -7.543 1.00 0.00 H new ATOM 0 HG LEU A 148 3.656 -1.564 -7.336 1.00 0.00 H new ATOM 0 HD11 LEU A 148 5.987 -1.625 -8.118 1.00 0.00 H new ATOM 0 HD12 LEU A 148 5.790 -2.439 -6.547 1.00 0.00 H new ATOM 0 HD13 LEU A 148 5.963 -3.403 -8.034 1.00 0.00 H new ATOM 0 HD21 LEU A 148 4.156 -1.603 -9.752 1.00 0.00 H new ATOM 0 HD22 LEU A 148 4.045 -3.379 -9.739 1.00 0.00 H new ATOM 0 HD23 LEU A 148 2.606 -2.395 -9.383 1.00 0.00 H new ATOM 403 N VAL A 149 0.625 -3.505 -5.060 1.00 0.00 N ATOM 404 CA VAL A 149 0.076 -3.967 -3.793 1.00 0.00 C ATOM 405 C VAL A 149 -1.448 -3.967 -3.812 1.00 0.00 C ATOM 406 O VAL A 149 -2.077 -2.940 -4.067 1.00 0.00 O ATOM 407 CB VAL A 149 0.565 -3.091 -2.622 1.00 0.00 C ATOM 408 CG1 VAL A 149 0.389 -3.817 -1.297 1.00 0.00 C ATOM 409 CG2 VAL A 149 2.018 -2.679 -2.824 1.00 0.00 C ATOM 0 H VAL A 149 0.420 -2.530 -5.279 1.00 0.00 H new ATOM 0 HA VAL A 149 0.429 -4.988 -3.651 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.043 -2.186 -2.598 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.740 -3.181 -0.484 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -0.665 -4.049 -1.147 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.966 -4.742 -1.309 1.00 0.00 H new ATOM 0 HG21 VAL A 149 2.341 -2.062 -1.986 1.00 0.00 H new ATOM 0 HG22 VAL A 149 2.644 -3.569 -2.881 1.00 0.00 H new ATOM 0 HG23 VAL A 149 2.110 -2.111 -3.750 1.00 0.00 H new ATOM 419 N GLN A 150 -2.035 -5.126 -3.535 1.00 0.00 N ATOM 420 CA GLN A 150 -3.486 -5.263 -3.513 1.00 0.00 C ATOM 421 C GLN A 150 -4.035 -4.917 -2.133 1.00 0.00 C ATOM 422 O GLN A 150 -3.960 -5.722 -1.205 1.00 0.00 O ATOM 423 CB GLN A 150 -3.888 -6.689 -3.898 1.00 0.00 C ATOM 424 CG GLN A 150 -4.931 -6.750 -5.003 1.00 0.00 C ATOM 425 CD GLN A 150 -4.907 -8.067 -5.754 1.00 0.00 C ATOM 426 OE1 GLN A 150 -5.833 -8.871 -5.647 1.00 0.00 O ATOM 427 NE2 GLN A 150 -3.845 -8.294 -6.518 1.00 0.00 N ATOM 0 H GLN A 150 -1.527 -5.985 -3.322 1.00 0.00 H new ATOM 0 HA GLN A 150 -3.910 -4.569 -4.239 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -3.000 -7.234 -4.218 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -4.275 -7.199 -3.016 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -5.921 -6.599 -4.572 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -4.761 -5.933 -5.704 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -3.101 -7.599 -6.577 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -3.773 -9.164 -7.046 1.00 0.00 H new ATOM 436 N GLY A 151 -4.581 -3.713 -2.002 1.00 0.00 N ATOM 437 CA GLY A 151 -5.126 -3.282 -0.730 1.00 0.00 C ATOM 438 C GLY A 151 -6.468 -3.915 -0.422 1.00 0.00 C ATOM 439 O GLY A 151 -7.287 -4.113 -1.318 1.00 0.00 O ATOM 0 H GLY A 151 -4.655 -3.028 -2.754 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -4.422 -3.529 0.064 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.233 -2.197 -0.735 1.00 0.00 H new ATOM 443 N THR A 152 -6.691 -4.229 0.849 1.00 0.00 N ATOM 444 CA THR A 152 -7.943 -4.840 1.282 1.00 0.00 C ATOM 445 C THR A 152 -8.676 -3.942 2.277 1.00 0.00 C ATOM 446 O THR A 152 -9.447 -4.422 3.108 1.00 0.00 O ATOM 447 CB THR A 152 -7.674 -6.208 1.914 1.00 0.00 C ATOM 448 OG1 THR A 152 -6.337 -6.293 2.376 1.00 0.00 O ATOM 449 CG2 THR A 152 -7.905 -7.363 0.964 1.00 0.00 C ATOM 0 H THR A 152 -6.019 -4.070 1.600 1.00 0.00 H new ATOM 0 HA THR A 152 -8.577 -4.969 0.405 1.00 0.00 H new ATOM 0 HB THR A 152 -8.383 -6.289 2.738 1.00 0.00 H new ATOM 0 HG1 THR A 152 -6.185 -7.174 2.778 1.00 0.00 H new ATOM 0 HG21 THR A 152 -7.696 -8.302 1.476 1.00 0.00 H new ATOM 0 HG22 THR A 152 -8.942 -7.356 0.628 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.244 -7.264 0.103 1.00 0.00 H new ATOM 457 N GLY A 153 -8.426 -2.639 2.195 1.00 0.00 N ATOM 458 CA GLY A 153 -9.065 -1.703 3.103 1.00 0.00 C ATOM 459 C GLY A 153 -10.288 -1.034 2.505 1.00 0.00 C ATOM 460 O GLY A 153 -10.218 -0.442 1.430 1.00 0.00 O ATOM 0 H GLY A 153 -7.793 -2.215 1.517 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.354 -2.229 4.013 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.345 -0.938 3.392 1.00 0.00 H new ATOM 464 N LYS A 154 -11.410 -1.122 3.212 1.00 0.00 N ATOM 465 CA LYS A 154 -12.658 -0.516 2.757 1.00 0.00 C ATOM 466 C LYS A 154 -13.060 -1.033 1.375 1.00 0.00 C ATOM 467 O LYS A 154 -13.813 -2.000 1.262 1.00 0.00 O ATOM 468 CB LYS A 154 -12.530 1.010 2.738 1.00 0.00 C ATOM 469 CG LYS A 154 -13.062 1.681 3.994 1.00 0.00 C ATOM 470 CD LYS A 154 -14.440 2.282 3.766 1.00 0.00 C ATOM 471 CE LYS A 154 -14.350 3.627 3.064 1.00 0.00 C ATOM 472 NZ LYS A 154 -15.546 4.474 3.328 1.00 0.00 N ATOM 0 H LYS A 154 -11.481 -1.609 4.106 1.00 0.00 H new ATOM 0 HA LYS A 154 -13.443 -0.799 3.459 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -11.481 1.277 2.610 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -13.066 1.400 1.873 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -13.111 0.953 4.803 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -12.371 2.463 4.310 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -15.043 1.598 3.169 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -14.949 2.403 4.722 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -13.454 4.151 3.397 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -14.247 3.470 1.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -15.445 5.382 2.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -16.399 3.986 2.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -15.631 4.646 4.350 1.00 0.00 H new ATOM 486 N ASN A 155 -12.561 -0.383 0.324 1.00 0.00 N ATOM 487 CA ASN A 155 -12.881 -0.782 -1.043 1.00 0.00 C ATOM 488 C ASN A 155 -11.643 -1.302 -1.768 1.00 0.00 C ATOM 489 O ASN A 155 -11.466 -1.064 -2.963 1.00 0.00 O ATOM 490 CB ASN A 155 -13.478 0.397 -1.813 1.00 0.00 C ATOM 491 CG ASN A 155 -14.977 0.515 -1.617 1.00 0.00 C ATOM 492 OD1 ASN A 155 -15.743 0.506 -2.581 1.00 0.00 O ATOM 493 ND2 ASN A 155 -15.404 0.627 -0.365 1.00 0.00 N ATOM 0 H ASN A 155 -11.936 0.420 0.394 1.00 0.00 H new ATOM 0 HA ASN A 155 -13.614 -1.587 -0.995 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -12.998 1.320 -1.488 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -13.261 0.281 -2.875 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -16.402 0.710 -0.172 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -14.734 0.630 0.404 1.00 0.00 H new ATOM 500 N GLY A 156 -10.791 -2.012 -1.038 1.00 0.00 N ATOM 501 CA GLY A 156 -9.583 -2.555 -1.630 1.00 0.00 C ATOM 502 C GLY A 156 -8.398 -1.612 -1.515 1.00 0.00 C ATOM 503 O GLY A 156 -7.391 -1.785 -2.202 1.00 0.00 O ATOM 0 H GLY A 156 -10.915 -2.221 -0.047 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.339 -3.500 -1.145 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -9.766 -2.775 -2.682 1.00 0.00 H new ATOM 507 N ARG A 157 -8.517 -0.614 -0.645 1.00 0.00 N ATOM 508 CA ARG A 157 -7.450 0.359 -0.441 1.00 0.00 C ATOM 509 C ARG A 157 -6.254 -0.286 0.252 1.00 0.00 C ATOM 510 O ARG A 157 -6.417 -1.135 1.129 1.00 0.00 O ATOM 511 CB ARG A 157 -7.968 1.540 0.384 1.00 0.00 C ATOM 512 CG ARG A 157 -6.907 2.580 0.703 1.00 0.00 C ATOM 513 CD ARG A 157 -7.452 3.672 1.610 1.00 0.00 C ATOM 514 NE ARG A 157 -8.748 4.167 1.152 1.00 0.00 N ATOM 515 CZ ARG A 157 -8.908 4.963 0.098 1.00 0.00 C ATOM 516 NH1 ARG A 157 -7.857 5.354 -0.613 1.00 0.00 N ATOM 517 NH2 ARG A 157 -10.122 5.368 -0.249 1.00 0.00 N ATOM 0 H ARG A 157 -9.344 -0.458 -0.069 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.124 0.723 -1.415 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.782 2.020 -0.159 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -8.386 1.163 1.318 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -6.056 2.097 1.184 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.541 3.024 -0.223 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -7.549 3.286 2.625 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -6.742 4.498 1.650 1.00 0.00 H new ATOM 0 HE ARG A 157 -9.580 3.886 1.671 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -6.921 5.044 -0.352 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -7.986 5.964 -1.420 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -10.933 5.069 0.292 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -10.244 5.978 -1.057 1.00 0.00 H new ATOM 531 N VAL A 158 -5.052 0.115 -0.152 1.00 0.00 N ATOM 532 CA VAL A 158 -3.830 -0.433 0.426 1.00 0.00 C ATOM 533 C VAL A 158 -3.520 0.199 1.776 1.00 0.00 C ATOM 534 O VAL A 158 -3.534 1.422 1.928 1.00 0.00 O ATOM 535 CB VAL A 158 -2.615 -0.242 -0.514 1.00 0.00 C ATOM 536 CG1 VAL A 158 -1.305 -0.545 0.206 1.00 0.00 C ATOM 537 CG2 VAL A 158 -2.748 -1.121 -1.743 1.00 0.00 C ATOM 0 H VAL A 158 -4.899 0.817 -0.876 1.00 0.00 H new ATOM 0 HA VAL A 158 -4.006 -1.500 0.562 1.00 0.00 H new ATOM 0 HB VAL A 158 -2.599 0.802 -0.826 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -0.471 -0.402 -0.481 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -1.194 0.127 1.057 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -1.313 -1.577 0.557 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -1.885 -0.973 -2.392 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -2.798 -2.167 -1.439 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -3.657 -0.856 -2.283 1.00 0.00 H new ATOM 547 N LEU A 159 -3.218 -0.653 2.745 1.00 0.00 N ATOM 548 CA LEU A 159 -2.873 -0.206 4.084 1.00 0.00 C ATOM 549 C LEU A 159 -1.381 -0.393 4.317 1.00 0.00 C ATOM 550 O LEU A 159 -0.724 -1.129 3.583 1.00 0.00 O ATOM 551 CB LEU A 159 -3.668 -1.000 5.124 1.00 0.00 C ATOM 552 CG LEU A 159 -5.177 -0.727 5.150 1.00 0.00 C ATOM 553 CD1 LEU A 159 -5.782 -1.205 6.461 1.00 0.00 C ATOM 554 CD2 LEU A 159 -5.466 0.753 4.940 1.00 0.00 C ATOM 0 H LEU A 159 -3.205 -1.666 2.626 1.00 0.00 H new ATOM 0 HA LEU A 159 -3.122 0.850 4.183 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -3.512 -2.063 4.941 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -3.260 -0.783 6.111 1.00 0.00 H new ATOM 0 HG LEU A 159 -5.636 -1.282 4.332 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -6.853 -1.003 6.462 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -5.614 -2.277 6.570 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -5.313 -0.678 7.292 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -6.543 0.920 4.963 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -4.992 1.332 5.732 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -5.070 1.068 3.974 1.00 0.00 H new ATOM 566 N LYS A 160 -0.838 0.260 5.337 1.00 0.00 N ATOM 567 CA LYS A 160 0.584 0.124 5.628 1.00 0.00 C ATOM 568 C LYS A 160 0.932 -1.345 5.821 1.00 0.00 C ATOM 569 O LYS A 160 2.024 -1.789 5.469 1.00 0.00 O ATOM 570 CB LYS A 160 0.971 0.929 6.869 1.00 0.00 C ATOM 571 CG LYS A 160 2.470 0.965 7.123 1.00 0.00 C ATOM 572 CD LYS A 160 2.808 0.545 8.545 1.00 0.00 C ATOM 573 CE LYS A 160 4.302 0.638 8.815 1.00 0.00 C ATOM 574 NZ LYS A 160 4.956 -0.699 8.788 1.00 0.00 N ATOM 0 H LYS A 160 -1.349 0.878 5.967 1.00 0.00 H new ATOM 0 HA LYS A 160 1.148 0.519 4.783 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.604 1.950 6.760 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.473 0.502 7.740 1.00 0.00 H new ATOM 0 HG2 LYS A 160 2.975 0.304 6.418 1.00 0.00 H new ATOM 0 HG3 LYS A 160 2.846 1.972 6.941 1.00 0.00 H new ATOM 0 HD2 LYS A 160 2.270 1.179 9.250 1.00 0.00 H new ATOM 0 HD3 LYS A 160 2.470 -0.478 8.713 1.00 0.00 H new ATOM 0 HE2 LYS A 160 4.766 1.284 8.070 1.00 0.00 H new ATOM 0 HE3 LYS A 160 4.467 1.103 9.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 5.821 -0.674 9.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 4.304 -1.412 9.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 5.200 -0.946 7.808 1.00 0.00 H new ATOM 588 N GLU A 161 -0.021 -2.103 6.358 1.00 0.00 N ATOM 589 CA GLU A 161 0.171 -3.528 6.567 1.00 0.00 C ATOM 590 C GLU A 161 0.320 -4.218 5.220 1.00 0.00 C ATOM 591 O GLU A 161 1.108 -5.150 5.066 1.00 0.00 O ATOM 592 CB GLU A 161 -1.009 -4.124 7.340 1.00 0.00 C ATOM 593 CG GLU A 161 -1.246 -3.467 8.689 1.00 0.00 C ATOM 594 CD GLU A 161 -0.416 -4.091 9.795 1.00 0.00 C ATOM 595 OE1 GLU A 161 0.823 -4.141 9.651 1.00 0.00 O ATOM 596 OE2 GLU A 161 -1.006 -4.529 10.804 1.00 0.00 O ATOM 0 H GLU A 161 -0.931 -1.751 6.655 1.00 0.00 H new ATOM 0 HA GLU A 161 1.075 -3.683 7.156 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -1.912 -4.031 6.736 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -0.834 -5.189 7.490 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -1.011 -2.405 8.618 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -2.303 -3.543 8.946 1.00 0.00 H new ATOM 603 N ASP A 162 -0.434 -3.729 4.237 1.00 0.00 N ATOM 604 CA ASP A 162 -0.377 -4.274 2.887 1.00 0.00 C ATOM 605 C ASP A 162 1.007 -4.043 2.295 1.00 0.00 C ATOM 606 O ASP A 162 1.638 -4.960 1.768 1.00 0.00 O ATOM 607 CB ASP A 162 -1.440 -3.617 2.005 1.00 0.00 C ATOM 608 CG ASP A 162 -2.780 -4.321 2.086 1.00 0.00 C ATOM 609 OD1 ASP A 162 -2.815 -5.556 1.910 1.00 0.00 O ATOM 610 OD2 ASP A 162 -3.796 -3.634 2.326 1.00 0.00 O ATOM 0 H ASP A 162 -1.090 -2.957 4.353 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.573 -5.345 2.931 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.562 -2.576 2.304 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -1.097 -3.614 0.970 1.00 0.00 H new ATOM 615 N ILE A 163 1.474 -2.804 2.403 1.00 0.00 N ATOM 616 CA ILE A 163 2.791 -2.421 1.901 1.00 0.00 C ATOM 617 C ILE A 163 3.869 -3.350 2.447 1.00 0.00 C ATOM 618 O ILE A 163 4.665 -3.908 1.691 1.00 0.00 O ATOM 619 CB ILE A 163 3.150 -0.977 2.312 1.00 0.00 C ATOM 620 CG1 ILE A 163 2.027 -0.015 1.937 1.00 0.00 C ATOM 621 CG2 ILE A 163 4.463 -0.544 1.668 1.00 0.00 C ATOM 622 CD1 ILE A 163 1.723 -0.010 0.465 1.00 0.00 C ATOM 0 H ILE A 163 0.955 -2.041 2.838 1.00 0.00 H new ATOM 0 HA ILE A 163 2.748 -2.493 0.814 1.00 0.00 H new ATOM 0 HB ILE A 163 3.275 -0.953 3.395 1.00 0.00 H new ATOM 0 HG12 ILE A 163 1.126 -0.286 2.487 1.00 0.00 H new ATOM 0 HG13 ILE A 163 2.301 0.993 2.249 1.00 0.00 H new ATOM 0 HG21 ILE A 163 4.698 0.477 1.971 1.00 0.00 H new ATOM 0 HG22 ILE A 163 5.263 -1.211 1.989 1.00 0.00 H new ATOM 0 HG23 ILE A 163 4.368 -0.588 0.583 1.00 0.00 H new ATOM 0 HD11 ILE A 163 0.916 0.694 0.263 1.00 0.00 H new ATOM 0 HD12 ILE A 163 2.613 0.289 -0.089 1.00 0.00 H new ATOM 0 HD13 ILE A 163 1.420 -1.009 0.153 1.00 0.00 H new ATOM 634 N ASP A 164 3.889 -3.509 3.766 1.00 0.00 N ATOM 635 CA ASP A 164 4.868 -4.368 4.418 1.00 0.00 C ATOM 636 C ASP A 164 4.783 -5.794 3.882 1.00 0.00 C ATOM 637 O ASP A 164 5.803 -6.434 3.624 1.00 0.00 O ATOM 638 CB ASP A 164 4.652 -4.366 5.932 1.00 0.00 C ATOM 639 CG ASP A 164 5.914 -4.711 6.696 1.00 0.00 C ATOM 640 OD1 ASP A 164 6.837 -3.870 6.730 1.00 0.00 O ATOM 641 OD2 ASP A 164 5.981 -5.823 7.261 1.00 0.00 O ATOM 0 H ASP A 164 3.237 -3.053 4.404 1.00 0.00 H new ATOM 0 HA ASP A 164 5.861 -3.975 4.200 1.00 0.00 H new ATOM 0 HB2 ASP A 164 4.299 -3.383 6.245 1.00 0.00 H new ATOM 0 HB3 ASP A 164 3.870 -5.082 6.186 1.00 0.00 H new ATOM 646 N ALA A 165 3.559 -6.286 3.716 1.00 0.00 N ATOM 647 CA ALA A 165 3.336 -7.635 3.210 1.00 0.00 C ATOM 648 C ALA A 165 3.872 -7.781 1.790 1.00 0.00 C ATOM 649 O ALA A 165 4.381 -8.836 1.412 1.00 0.00 O ATOM 650 CB ALA A 165 1.856 -7.979 3.255 1.00 0.00 C ATOM 0 H ALA A 165 2.705 -5.769 3.925 1.00 0.00 H new ATOM 0 HA ALA A 165 3.878 -8.331 3.850 1.00 0.00 H new ATOM 0 HB1 ALA A 165 1.705 -8.989 2.874 1.00 0.00 H new ATOM 0 HB2 ALA A 165 1.500 -7.922 4.284 1.00 0.00 H new ATOM 0 HB3 ALA A 165 1.299 -7.272 2.639 1.00 0.00 H new ATOM 656 N TRP A 166 3.761 -6.711 1.011 1.00 0.00 N ATOM 657 CA TRP A 166 4.236 -6.708 -0.362 1.00 0.00 C ATOM 658 C TRP A 166 5.736 -6.964 -0.408 1.00 0.00 C ATOM 659 O TRP A 166 6.201 -7.906 -1.048 1.00 0.00 O ATOM 660 CB TRP A 166 3.916 -5.363 -1.007 1.00 0.00 C ATOM 661 CG TRP A 166 4.179 -5.325 -2.477 1.00 0.00 C ATOM 662 CD1 TRP A 166 3.384 -5.812 -3.472 1.00 0.00 C ATOM 663 CD2 TRP A 166 5.323 -4.764 -3.115 1.00 0.00 C ATOM 664 NE1 TRP A 166 3.973 -5.585 -4.693 1.00 0.00 N ATOM 665 CE2 TRP A 166 5.165 -4.945 -4.497 1.00 0.00 C ATOM 666 CE3 TRP A 166 6.465 -4.127 -2.642 1.00 0.00 C ATOM 667 CZ2 TRP A 166 6.111 -4.509 -5.418 1.00 0.00 C ATOM 668 CZ3 TRP A 166 7.408 -3.691 -3.555 1.00 0.00 C ATOM 669 CH2 TRP A 166 7.226 -3.884 -4.931 1.00 0.00 C ATOM 0 H TRP A 166 3.343 -5.831 1.312 1.00 0.00 H new ATOM 0 HA TRP A 166 3.734 -7.504 -0.912 1.00 0.00 H new ATOM 0 HB2 TRP A 166 2.868 -5.124 -0.828 1.00 0.00 H new ATOM 0 HB3 TRP A 166 4.507 -4.587 -0.521 1.00 0.00 H new ATOM 0 HD1 TRP A 166 2.434 -6.303 -3.323 1.00 0.00 H new ATOM 0 HE1 TRP A 166 3.584 -5.851 -5.598 1.00 0.00 H new ATOM 0 HE3 TRP A 166 6.613 -3.976 -1.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 5.971 -4.658 -6.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 8.299 -3.194 -3.202 1.00 0.00 H new ATOM 0 HH2 TRP A 166 7.980 -3.533 -5.620 1.00 0.00 H new ATOM 680 N LEU A 167 6.484 -6.115 0.285 1.00 0.00 N ATOM 681 CA LEU A 167 7.939 -6.237 0.340 1.00 0.00 C ATOM 682 C LEU A 167 8.352 -7.617 0.841 1.00 0.00 C ATOM 683 O LEU A 167 9.375 -8.160 0.421 1.00 0.00 O ATOM 684 CB LEU A 167 8.528 -5.156 1.250 1.00 0.00 C ATOM 685 CG LEU A 167 8.288 -3.719 0.782 1.00 0.00 C ATOM 686 CD1 LEU A 167 7.767 -2.859 1.924 1.00 0.00 C ATOM 687 CD2 LEU A 167 9.559 -3.120 0.196 1.00 0.00 C ATOM 0 H LEU A 167 6.108 -5.332 0.819 1.00 0.00 H new ATOM 0 HA LEU A 167 8.327 -6.106 -0.670 1.00 0.00 H new ATOM 0 HB2 LEU A 167 8.106 -5.273 2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 167 9.602 -5.320 1.336 1.00 0.00 H new ATOM 0 HG LEU A 167 7.530 -3.742 -0.001 1.00 0.00 H new ATOM 0 HD11 LEU A 167 7.604 -1.842 1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 167 6.826 -3.271 2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 167 8.497 -2.847 2.733 1.00 0.00 H new ATOM 0 HD21 LEU A 167 9.363 -2.098 -0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 167 10.342 -3.115 0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 167 9.883 -3.717 -0.657 1.00 0.00 H new ATOM 699 N ALA A 168 7.551 -8.179 1.739 1.00 0.00 N ATOM 700 CA ALA A 168 7.834 -9.496 2.298 1.00 0.00 C ATOM 701 C ALA A 168 7.538 -10.602 1.287 1.00 0.00 C ATOM 702 O ALA A 168 8.108 -11.690 1.361 1.00 0.00 O ATOM 703 CB ALA A 168 7.028 -9.711 3.572 1.00 0.00 C ATOM 0 H ALA A 168 6.700 -7.743 2.096 1.00 0.00 H new ATOM 0 HA ALA A 168 8.896 -9.540 2.540 1.00 0.00 H new ATOM 0 HB1 ALA A 168 7.248 -10.698 3.980 1.00 0.00 H new ATOM 0 HB2 ALA A 168 7.294 -8.948 4.304 1.00 0.00 H new ATOM 0 HB3 ALA A 168 5.964 -9.641 3.346 1.00 0.00 H new