USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 479 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 80 SER OG : rot 180:sc= 0.369 USER MOD Set 1.2: A 84 LYS NZ :NH3+ 176:sc= 0.394 (180deg=0) USER MOD Single : A 9 SER OG : rot -33:sc= 0.0745 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -124:sc= 0.445! USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.351 K(o=-0.35,f=-2.8!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 87:sc= 0.298 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.0853 USER MOD ----------------------------------------------------------------- ATOM 116 N SER A 9 -11.011 -13.799 2.100 1.00 0.00 N ATOM 117 CA SER A 9 -10.275 -13.218 3.211 1.00 0.00 C ATOM 118 C SER A 9 -11.238 -12.857 4.344 1.00 0.00 C ATOM 119 O SER A 9 -11.110 -13.364 5.458 1.00 0.00 O ATOM 120 CB SER A 9 -9.491 -11.982 2.767 1.00 0.00 C ATOM 121 OG SER A 9 -10.315 -11.047 2.075 1.00 0.00 O ATOM 0 HA SER A 9 -9.560 -13.958 3.571 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.050 -11.500 3.639 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.668 -12.288 2.121 1.00 0.00 H new ATOM 0 HG SER A 9 -11.007 -11.528 1.575 1.00 0.00 H new ATOM 127 N GLY A 10 -12.180 -11.984 4.021 1.00 0.00 N ATOM 128 CA GLY A 10 -13.164 -11.549 4.998 1.00 0.00 C ATOM 129 C GLY A 10 -12.512 -10.707 6.096 1.00 0.00 C ATOM 130 O GLY A 10 -11.472 -10.087 5.873 1.00 0.00 O ATOM 0 H GLY A 10 -12.283 -11.566 3.096 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -13.941 -10.968 4.502 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.650 -12.418 5.442 1.00 0.00 H new ATOM 134 N ARG A 11 -13.148 -10.711 7.258 1.00 0.00 N ATOM 135 CA ARG A 11 -12.642 -9.955 8.391 1.00 0.00 C ATOM 136 C ARG A 11 -11.122 -10.100 8.490 1.00 0.00 C ATOM 137 O ARG A 11 -10.419 -9.128 8.762 1.00 0.00 O ATOM 138 CB ARG A 11 -13.279 -10.431 9.699 1.00 0.00 C ATOM 139 CG ARG A 11 -14.754 -10.032 9.767 1.00 0.00 C ATOM 140 CD ARG A 11 -15.264 -10.061 11.210 1.00 0.00 C ATOM 141 NE ARG A 11 -16.725 -10.298 11.226 1.00 0.00 N ATOM 142 CZ ARG A 11 -17.306 -11.468 10.887 1.00 0.00 C ATOM 143 NH1 ARG A 11 -16.553 -12.521 10.503 1.00 0.00 N ATOM 144 NH2 ARG A 11 -18.621 -11.568 10.938 1.00 0.00 N ATOM 0 H ARG A 11 -14.010 -11.226 7.440 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.901 -8.908 8.233 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -13.187 -11.514 9.779 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.743 -10.002 10.546 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -14.884 -9.033 9.352 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -15.347 -10.711 9.154 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -14.754 -10.846 11.769 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -15.035 -9.117 11.704 1.00 0.00 H new ATOM 0 HE ARG A 11 -17.331 -9.529 11.511 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -15.537 -12.436 10.468 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -17.000 -13.402 10.248 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -19.182 -10.768 11.230 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -19.076 -12.445 10.685 1.00 0.00 H new ATOM 158 N ALA A 12 -10.660 -11.321 8.264 1.00 0.00 N ATOM 159 CA ALA A 12 -9.236 -11.605 8.324 1.00 0.00 C ATOM 160 C ALA A 12 -8.464 -10.464 7.658 1.00 0.00 C ATOM 161 O ALA A 12 -7.370 -10.112 8.096 1.00 0.00 O ATOM 162 CB ALA A 12 -8.958 -12.958 7.667 1.00 0.00 C ATOM 0 H ALA A 12 -11.246 -12.125 8.039 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.901 -11.670 9.359 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.890 -13.172 7.712 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.506 -13.738 8.195 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.279 -12.930 6.626 1.00 0.00 H new ATOM 168 N ALA A 13 -9.065 -9.917 6.612 1.00 0.00 N ATOM 169 CA ALA A 13 -8.448 -8.823 5.881 1.00 0.00 C ATOM 170 C ALA A 13 -7.833 -7.836 6.875 1.00 0.00 C ATOM 171 O ALA A 13 -6.634 -7.563 6.824 1.00 0.00 O ATOM 172 CB ALA A 13 -9.488 -8.164 4.973 1.00 0.00 C ATOM 0 H ALA A 13 -9.973 -10.211 6.253 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.646 -9.192 5.242 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.025 -7.344 4.425 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.873 -8.900 4.267 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.308 -7.778 5.579 1.00 0.00 H new ATOM 178 N VAL A 14 -8.681 -7.326 7.756 1.00 0.00 N ATOM 179 CA VAL A 14 -8.236 -6.374 8.760 1.00 0.00 C ATOM 180 C VAL A 14 -6.934 -6.875 9.389 1.00 0.00 C ATOM 181 O VAL A 14 -5.975 -6.117 9.526 1.00 0.00 O ATOM 182 CB VAL A 14 -9.345 -6.141 9.788 1.00 0.00 C ATOM 183 CG1 VAL A 14 -8.873 -5.201 10.899 1.00 0.00 C ATOM 184 CG2 VAL A 14 -10.610 -5.604 9.116 1.00 0.00 C ATOM 0 H VAL A 14 -9.674 -7.554 7.796 1.00 0.00 H new ATOM 0 HA VAL A 14 -8.026 -5.407 8.303 1.00 0.00 H new ATOM 0 HB VAL A 14 -9.589 -7.101 10.243 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.680 -5.052 11.617 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -8.013 -5.639 11.406 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -8.589 -4.241 10.467 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -11.383 -5.447 9.868 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.386 -4.658 8.623 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.963 -6.324 8.378 1.00 0.00 H new ATOM 194 N ALA A 15 -6.942 -8.148 9.754 1.00 0.00 N ATOM 195 CA ALA A 15 -5.773 -8.759 10.365 1.00 0.00 C ATOM 196 C ALA A 15 -4.557 -8.537 9.463 1.00 0.00 C ATOM 197 O ALA A 15 -3.489 -8.156 9.939 1.00 0.00 O ATOM 198 CB ALA A 15 -6.047 -10.242 10.621 1.00 0.00 C ATOM 0 H ALA A 15 -7.739 -8.774 9.639 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.557 -8.297 11.328 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.170 -10.700 11.079 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.901 -10.344 11.290 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.265 -10.740 9.676 1.00 0.00 H new ATOM 204 N ALA A 16 -4.760 -8.785 8.178 1.00 0.00 N ATOM 205 CA ALA A 16 -3.694 -8.618 7.206 1.00 0.00 C ATOM 206 C ALA A 16 -3.255 -7.152 7.184 1.00 0.00 C ATOM 207 O ALA A 16 -2.099 -6.851 6.894 1.00 0.00 O ATOM 208 CB ALA A 16 -4.171 -9.104 5.836 1.00 0.00 C ATOM 0 H ALA A 16 -5.648 -9.101 7.787 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.827 -9.218 7.481 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.371 -8.979 5.107 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.443 -10.158 5.898 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.039 -8.523 5.526 1.00 0.00 H new ATOM 214 N VAL A 17 -4.203 -6.280 7.494 1.00 0.00 N ATOM 215 CA VAL A 17 -3.929 -4.853 7.514 1.00 0.00 C ATOM 216 C VAL A 17 -3.238 -4.488 8.829 1.00 0.00 C ATOM 217 O VAL A 17 -2.575 -3.456 8.921 1.00 0.00 O ATOM 218 CB VAL A 17 -5.221 -4.068 7.280 1.00 0.00 C ATOM 219 CG1 VAL A 17 -4.974 -2.562 7.381 1.00 0.00 C ATOM 220 CG2 VAL A 17 -5.848 -4.432 5.933 1.00 0.00 C ATOM 0 H VAL A 17 -5.161 -6.534 7.733 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.250 -4.584 6.705 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.927 -4.345 8.063 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.909 -2.028 7.211 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.594 -2.321 8.374 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.243 -2.262 6.630 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.765 -3.860 5.792 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.148 -4.199 5.131 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.079 -5.497 5.915 1.00 0.00 H new ATOM 230 N VAL A 18 -3.416 -5.356 9.815 1.00 0.00 N ATOM 231 CA VAL A 18 -2.818 -5.139 11.121 1.00 0.00 C ATOM 232 C VAL A 18 -1.328 -5.481 11.058 1.00 0.00 C ATOM 233 O VAL A 18 -0.485 -4.666 11.428 1.00 0.00 O ATOM 234 CB VAL A 18 -3.572 -5.943 12.182 1.00 0.00 C ATOM 235 CG1 VAL A 18 -2.828 -5.920 13.518 1.00 0.00 C ATOM 236 CG2 VAL A 18 -5.005 -5.430 12.343 1.00 0.00 C ATOM 0 H VAL A 18 -3.966 -6.211 9.735 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.899 -4.091 11.409 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.623 -6.978 11.845 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.385 -6.499 14.255 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.836 -6.354 13.390 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.731 -4.891 13.863 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.519 -6.019 13.103 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.985 -4.383 12.647 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.533 -5.522 11.394 1.00 0.00 H new ATOM 246 N GLY A 19 -1.050 -6.688 10.587 1.00 0.00 N ATOM 247 CA GLY A 19 0.323 -7.148 10.471 1.00 0.00 C ATOM 248 C GLY A 19 1.162 -6.168 9.648 1.00 0.00 C ATOM 249 O GLY A 19 1.130 -6.199 8.419 1.00 0.00 O ATOM 0 H GLY A 19 -1.753 -7.361 10.281 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.758 -7.260 11.464 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.342 -8.132 10.002 1.00 0.00 H new ATOM 253 N GLY A 20 1.892 -5.322 10.359 1.00 0.00 N ATOM 254 CA GLY A 20 2.738 -4.335 9.709 1.00 0.00 C ATOM 255 C GLY A 20 2.281 -2.914 10.047 1.00 0.00 C ATOM 256 O GLY A 20 2.398 -2.008 9.223 1.00 0.00 O ATOM 0 H GLY A 20 1.915 -5.299 11.378 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.772 -4.473 10.024 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.711 -4.482 8.629 1.00 0.00 H new ATOM 260 N VAL A 21 1.771 -2.763 11.260 1.00 0.00 N ATOM 261 CA VAL A 21 1.296 -1.468 11.717 1.00 0.00 C ATOM 262 C VAL A 21 2.365 -0.410 11.436 1.00 0.00 C ATOM 263 O VAL A 21 2.084 0.609 10.806 1.00 0.00 O ATOM 264 CB VAL A 21 0.904 -1.545 13.194 1.00 0.00 C ATOM 265 CG1 VAL A 21 2.093 -1.978 14.054 1.00 0.00 C ATOM 266 CG2 VAL A 21 0.332 -0.212 13.679 1.00 0.00 C ATOM 0 H VAL A 21 1.676 -3.516 11.941 1.00 0.00 H new ATOM 0 HA VAL A 21 0.398 -1.176 11.172 1.00 0.00 H new ATOM 0 HB VAL A 21 0.125 -2.300 13.296 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.788 -2.025 15.099 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.436 -2.961 13.732 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.903 -1.257 13.944 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.061 -0.294 14.732 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.080 0.571 13.556 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.554 0.038 13.095 1.00 0.00 H new ATOM 276 N VAL A 22 3.567 -0.687 11.917 1.00 0.00 N ATOM 277 CA VAL A 22 4.679 0.228 11.726 1.00 0.00 C ATOM 278 C VAL A 22 4.772 0.610 10.247 1.00 0.00 C ATOM 279 O VAL A 22 4.874 1.789 9.912 1.00 0.00 O ATOM 280 CB VAL A 22 5.969 -0.395 12.264 1.00 0.00 C ATOM 281 CG1 VAL A 22 7.193 0.405 11.816 1.00 0.00 C ATOM 282 CG2 VAL A 22 5.923 -0.521 13.788 1.00 0.00 C ATOM 0 H VAL A 22 3.796 -1.533 12.439 1.00 0.00 H new ATOM 0 HA VAL A 22 4.518 1.147 12.290 1.00 0.00 H new ATOM 0 HB VAL A 22 6.055 -1.399 11.848 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.096 -0.059 12.212 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.240 0.419 10.727 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.117 1.426 12.189 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.852 -0.967 14.144 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.801 0.467 14.231 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.083 -1.154 14.076 1.00 0.00 H new ATOM 292 N ALA A 23 4.732 -0.410 9.402 1.00 0.00 N ATOM 293 CA ALA A 23 4.810 -0.196 7.967 1.00 0.00 C ATOM 294 C ALA A 23 3.714 0.783 7.542 1.00 0.00 C ATOM 295 O ALA A 23 3.928 1.617 6.663 1.00 0.00 O ATOM 296 CB ALA A 23 4.704 -1.540 7.244 1.00 0.00 C ATOM 0 H ALA A 23 4.647 -1.387 9.684 1.00 0.00 H new ATOM 0 HA ALA A 23 5.769 0.245 7.696 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.762 -1.380 6.167 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.522 -2.188 7.559 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.752 -2.011 7.489 1.00 0.00 H new ATOM 302 N VAL A 24 2.563 0.650 8.185 1.00 0.00 N ATOM 303 CA VAL A 24 1.433 1.513 7.884 1.00 0.00 C ATOM 304 C VAL A 24 1.732 2.928 8.381 1.00 0.00 C ATOM 305 O VAL A 24 1.254 3.905 7.807 1.00 0.00 O ATOM 306 CB VAL A 24 0.153 0.926 8.483 1.00 0.00 C ATOM 307 CG1 VAL A 24 -1.042 1.849 8.234 1.00 0.00 C ATOM 308 CG2 VAL A 24 -0.114 -0.478 7.937 1.00 0.00 C ATOM 0 H VAL A 24 2.389 -0.042 8.913 1.00 0.00 H new ATOM 0 HA VAL A 24 1.274 1.574 6.807 1.00 0.00 H new ATOM 0 HB VAL A 24 0.294 0.844 9.561 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.939 1.409 8.670 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.854 2.819 8.694 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.185 1.977 7.161 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.029 -0.872 8.379 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.224 -0.432 6.854 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.721 -1.131 8.189 1.00 0.00 H new ATOM 318 N GLY A 25 2.520 2.994 9.444 1.00 0.00 N ATOM 319 CA GLY A 25 2.888 4.274 10.025 1.00 0.00 C ATOM 320 C GLY A 25 3.814 5.055 9.090 1.00 0.00 C ATOM 321 O GLY A 25 3.519 6.191 8.724 1.00 0.00 O ATOM 0 H GLY A 25 2.914 2.181 9.918 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.990 4.858 10.225 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.383 4.114 10.983 1.00 0.00 H new ATOM 325 N THR A 26 4.916 4.413 8.730 1.00 0.00 N ATOM 326 CA THR A 26 5.888 5.032 7.845 1.00 0.00 C ATOM 327 C THR A 26 5.234 5.407 6.514 1.00 0.00 C ATOM 328 O THR A 26 5.437 6.509 6.006 1.00 0.00 O ATOM 329 CB THR A 26 7.069 4.072 7.693 1.00 0.00 C ATOM 330 OG1 THR A 26 7.672 4.056 8.984 1.00 0.00 O ATOM 331 CG2 THR A 26 8.162 4.628 6.779 1.00 0.00 C ATOM 0 H THR A 26 5.157 3.470 9.035 1.00 0.00 H new ATOM 0 HA THR A 26 6.263 5.967 8.262 1.00 0.00 H new ATOM 0 HB THR A 26 6.714 3.121 7.297 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.447 3.456 8.976 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.976 3.907 6.706 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.749 4.811 5.787 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.541 5.563 7.192 1.00 0.00 H new ATOM 339 N VAL A 27 4.462 4.468 5.986 1.00 0.00 N ATOM 340 CA VAL A 27 3.777 4.686 4.723 1.00 0.00 C ATOM 341 C VAL A 27 2.922 5.950 4.823 1.00 0.00 C ATOM 342 O VAL A 27 3.033 6.847 3.989 1.00 0.00 O ATOM 343 CB VAL A 27 2.967 3.444 4.346 1.00 0.00 C ATOM 344 CG1 VAL A 27 2.046 3.729 3.158 1.00 0.00 C ATOM 345 CG2 VAL A 27 3.887 2.257 4.054 1.00 0.00 C ATOM 0 H VAL A 27 4.296 3.555 6.410 1.00 0.00 H new ATOM 0 HA VAL A 27 4.497 4.844 3.920 1.00 0.00 H new ATOM 0 HB VAL A 27 2.341 3.181 5.199 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.482 2.830 2.911 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.355 4.531 3.418 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.644 4.030 2.298 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.286 1.387 3.789 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.550 2.506 3.226 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.481 2.031 4.939 1.00 0.00 H new ATOM 355 N LEU A 28 2.086 5.981 5.851 1.00 0.00 N ATOM 356 CA LEU A 28 1.212 7.121 6.071 1.00 0.00 C ATOM 357 C LEU A 28 2.056 8.393 6.176 1.00 0.00 C ATOM 358 O LEU A 28 1.957 9.279 5.329 1.00 0.00 O ATOM 359 CB LEU A 28 0.311 6.879 7.283 1.00 0.00 C ATOM 360 CG LEU A 28 -1.092 7.484 7.207 1.00 0.00 C ATOM 361 CD1 LEU A 28 -1.027 9.010 7.126 1.00 0.00 C ATOM 362 CD2 LEU A 28 -1.887 6.881 6.047 1.00 0.00 C ATOM 0 H LEU A 28 1.996 5.235 6.541 1.00 0.00 H new ATOM 0 HA LEU A 28 0.539 7.254 5.224 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.214 5.803 7.430 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.810 7.277 8.167 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.623 7.233 8.125 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.038 9.415 7.073 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.526 9.400 8.012 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.471 9.304 6.236 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.881 7.328 6.015 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.369 7.080 5.109 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.978 5.804 6.189 1.00 0.00 H new ATOM 374 N VAL A 29 2.868 8.441 7.222 1.00 0.00 N ATOM 375 CA VAL A 29 3.728 9.590 7.449 1.00 0.00 C ATOM 376 C VAL A 29 4.305 10.061 6.112 1.00 0.00 C ATOM 377 O VAL A 29 4.497 11.258 5.902 1.00 0.00 O ATOM 378 CB VAL A 29 4.807 9.240 8.476 1.00 0.00 C ATOM 379 CG1 VAL A 29 5.836 10.367 8.595 1.00 0.00 C ATOM 380 CG2 VAL A 29 4.186 8.919 9.836 1.00 0.00 C ATOM 0 H VAL A 29 2.948 7.703 7.921 1.00 0.00 H new ATOM 0 HA VAL A 29 3.157 10.419 7.867 1.00 0.00 H new ATOM 0 HB VAL A 29 5.326 8.348 8.126 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.592 10.093 9.331 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.313 10.528 7.628 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.337 11.283 8.911 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.975 8.674 10.547 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.630 9.785 10.195 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.510 8.069 9.736 1.00 0.00 H new ATOM 390 N ALA A 30 4.566 9.095 5.243 1.00 0.00 N ATOM 391 CA ALA A 30 5.117 9.397 3.933 1.00 0.00 C ATOM 392 C ALA A 30 4.078 10.162 3.111 1.00 0.00 C ATOM 393 O ALA A 30 4.237 11.356 2.859 1.00 0.00 O ATOM 394 CB ALA A 30 5.556 8.098 3.253 1.00 0.00 C ATOM 0 H ALA A 30 4.406 8.103 5.421 1.00 0.00 H new ATOM 0 HA ALA A 30 5.998 10.032 4.024 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.970 8.324 2.270 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.315 7.607 3.862 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.696 7.437 3.142 1.00 0.00 H new ATOM 400 N LEU A 31 3.037 9.444 2.716 1.00 0.00 N ATOM 401 CA LEU A 31 1.972 10.041 1.927 1.00 0.00 C ATOM 402 C LEU A 31 1.604 11.402 2.523 1.00 0.00 C ATOM 403 O LEU A 31 1.685 12.423 1.843 1.00 0.00 O ATOM 404 CB LEU A 31 0.788 9.080 1.812 1.00 0.00 C ATOM 405 CG LEU A 31 1.086 7.722 1.173 1.00 0.00 C ATOM 406 CD1 LEU A 31 -0.132 6.799 1.252 1.00 0.00 C ATOM 407 CD2 LEU A 31 1.586 7.890 -0.264 1.00 0.00 C ATOM 0 H LEU A 31 2.908 8.455 2.927 1.00 0.00 H new ATOM 0 HA LEU A 31 2.308 10.220 0.906 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.386 8.909 2.811 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.004 9.568 1.232 1.00 0.00 H new ATOM 0 HG LEU A 31 1.887 7.247 1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.107 5.841 0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.402 6.642 2.296 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.970 7.256 0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.790 6.910 -0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.824 8.396 -0.857 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.500 8.484 -0.264 1.00 0.00 H new ATOM 419 N SER A 32 1.206 11.370 3.787 1.00 0.00 N ATOM 420 CA SER A 32 0.825 12.588 4.481 1.00 0.00 C ATOM 421 C SER A 32 1.947 13.623 4.377 1.00 0.00 C ATOM 422 O SER A 32 1.855 14.568 3.594 1.00 0.00 O ATOM 423 CB SER A 32 0.498 12.306 5.949 1.00 0.00 C ATOM 424 OG SER A 32 -0.794 12.786 6.310 1.00 0.00 O ATOM 0 H SER A 32 1.139 10.520 4.348 1.00 0.00 H new ATOM 0 HA SER A 32 -0.072 12.985 4.006 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.550 11.233 6.132 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.249 12.775 6.584 1.00 0.00 H new ATOM 0 HG SER A 32 -0.966 12.585 7.254 1.00 0.00 H new ATOM 430 N ALA A 33 2.981 13.410 5.178 1.00 0.00 N ATOM 431 CA ALA A 33 4.120 14.313 5.185 1.00 0.00 C ATOM 432 C ALA A 33 5.004 14.023 3.971 1.00 0.00 C ATOM 433 O ALA A 33 6.193 13.743 4.116 1.00 0.00 O ATOM 434 CB ALA A 33 4.879 14.167 6.506 1.00 0.00 C ATOM 0 H ALA A 33 3.054 12.626 5.826 1.00 0.00 H new ATOM 0 HA ALA A 33 3.788 15.349 5.111 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.733 14.844 6.512 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.216 14.412 7.336 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.229 13.140 6.613 1.00 0.00 H new ATOM 440 N MET A 34 4.388 14.100 2.800 1.00 0.00 N ATOM 441 CA MET A 34 5.104 13.849 1.560 1.00 0.00 C ATOM 442 C MET A 34 6.446 14.584 1.543 1.00 0.00 C ATOM 443 O MET A 34 7.436 14.064 1.032 1.00 0.00 O ATOM 444 CB MET A 34 4.253 14.312 0.376 1.00 0.00 C ATOM 445 CG MET A 34 4.539 13.468 -0.868 1.00 0.00 C ATOM 446 SD MET A 34 4.027 11.781 -0.592 1.00 0.00 S ATOM 447 CE MET A 34 2.657 11.683 -1.732 1.00 0.00 C ATOM 0 H MET A 34 3.402 14.332 2.684 1.00 0.00 H new ATOM 0 HA MET A 34 5.296 12.779 1.484 1.00 0.00 H new ATOM 0 HB2 MET A 34 3.196 14.241 0.633 1.00 0.00 H new ATOM 0 HB3 MET A 34 4.459 15.361 0.163 1.00 0.00 H new ATOM 0 HG2 MET A 34 4.011 13.881 -1.727 1.00 0.00 H new ATOM 0 HG3 MET A 34 5.603 13.500 -1.103 1.00 0.00 H new ATOM 0 HE1 MET A 34 2.217 10.687 -1.688 1.00 0.00 H new ATOM 0 HE2 MET A 34 1.905 12.424 -1.461 1.00 0.00 H new ATOM 0 HE3 MET A 34 3.011 11.878 -2.744 1.00 0.00 H new ATOM 457 N GLY A 35 6.435 15.782 2.109 1.00 0.00 N ATOM 458 CA GLY A 35 7.638 16.594 2.165 1.00 0.00 C ATOM 459 C GLY A 35 7.292 18.080 2.288 1.00 0.00 C ATOM 460 O GLY A 35 7.810 18.906 1.538 1.00 0.00 O ATOM 0 H GLY A 35 5.612 16.210 2.533 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.249 16.288 3.014 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.234 16.429 1.268 1.00 0.00 H new ATOM 464 N PHE A 36 6.419 18.374 3.240 1.00 0.00 N ATOM 465 CA PHE A 36 5.998 19.746 3.471 1.00 0.00 C ATOM 466 C PHE A 36 5.234 19.870 4.791 1.00 0.00 C ATOM 467 O PHE A 36 4.009 19.974 4.796 1.00 0.00 O ATOM 468 CB PHE A 36 5.067 20.127 2.319 1.00 0.00 C ATOM 469 CG PHE A 36 3.795 19.281 2.241 1.00 0.00 C ATOM 470 CD1 PHE A 36 3.848 18.018 1.740 1.00 0.00 C ATOM 471 CD2 PHE A 36 2.610 19.792 2.672 1.00 0.00 C ATOM 472 CE1 PHE A 36 2.668 17.232 1.667 1.00 0.00 C ATOM 473 CE2 PHE A 36 1.430 19.006 2.599 1.00 0.00 C ATOM 474 CZ PHE A 36 1.483 17.743 2.098 1.00 0.00 C ATOM 0 H PHE A 36 5.992 17.686 3.860 1.00 0.00 H new ATOM 0 HA PHE A 36 6.869 20.399 3.524 1.00 0.00 H new ATOM 0 HB2 PHE A 36 4.788 21.176 2.423 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.611 20.033 1.379 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.788 17.612 1.397 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.567 20.795 3.070 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.711 16.229 1.269 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.490 19.412 2.942 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.585 17.146 2.042 1.00 0.00 H new ATOM 484 N THR A 37 5.991 19.854 5.879 1.00 0.00 N ATOM 485 CA THR A 37 5.400 19.964 7.202 1.00 0.00 C ATOM 486 C THR A 37 4.175 19.055 7.317 1.00 0.00 C ATOM 487 O THR A 37 3.974 18.170 6.486 1.00 0.00 O ATOM 488 CB THR A 37 5.088 21.439 7.460 1.00 0.00 C ATOM 489 OG1 THR A 37 4.590 21.460 8.795 1.00 0.00 O ATOM 490 CG2 THR A 37 3.917 21.946 6.617 1.00 0.00 C ATOM 0 H THR A 37 7.007 19.767 5.871 1.00 0.00 H new ATOM 0 HA THR A 37 6.092 19.624 7.973 1.00 0.00 H new ATOM 0 HB THR A 37 5.973 22.039 7.249 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.702 21.874 8.806 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.738 22.998 6.839 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.155 21.834 5.559 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.023 21.368 6.851 1.00 0.00 H new ATOM 498 N SER A 38 3.388 19.304 8.353 1.00 0.00 N ATOM 499 CA SER A 38 2.188 18.519 8.587 1.00 0.00 C ATOM 500 C SER A 38 1.484 19.004 9.855 1.00 0.00 C ATOM 501 O SER A 38 0.259 19.119 9.885 1.00 0.00 O ATOM 502 CB SER A 38 2.517 17.029 8.699 1.00 0.00 C ATOM 503 OG SER A 38 1.551 16.217 8.038 1.00 0.00 O ATOM 0 H SER A 38 3.558 20.038 9.040 1.00 0.00 H new ATOM 0 HA SER A 38 1.521 18.653 7.735 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.502 16.842 8.270 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.568 16.747 9.751 1.00 0.00 H new ATOM 0 HG SER A 38 1.798 15.273 8.131 1.00 0.00 H new ATOM 509 N VAL A 39 2.288 19.276 10.873 1.00 0.00 N ATOM 510 CA VAL A 39 1.757 19.746 12.141 1.00 0.00 C ATOM 511 C VAL A 39 0.963 21.033 11.911 1.00 0.00 C ATOM 512 O VAL A 39 -0.237 20.987 11.643 1.00 0.00 O ATOM 513 CB VAL A 39 2.893 19.918 13.152 1.00 0.00 C ATOM 514 CG1 VAL A 39 3.193 18.599 13.868 1.00 0.00 C ATOM 515 CG2 VAL A 39 4.148 20.474 12.477 1.00 0.00 C ATOM 0 H VAL A 39 3.303 19.180 10.845 1.00 0.00 H new ATOM 0 HA VAL A 39 1.071 19.012 12.563 1.00 0.00 H new ATOM 0 HB VAL A 39 2.569 20.640 13.902 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.004 18.748 14.581 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.302 18.262 14.397 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.487 17.847 13.136 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.940 20.587 13.218 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.476 19.787 11.697 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.924 21.445 12.035 1.00 0.00 H new ATOM 525 N GLY A 40 1.664 22.152 12.023 1.00 0.00 N ATOM 526 CA GLY A 40 1.039 23.449 11.830 1.00 0.00 C ATOM 527 C GLY A 40 -0.057 23.377 10.765 1.00 0.00 C ATOM 528 O GLY A 40 -1.222 23.652 11.049 1.00 0.00 O ATOM 0 H GLY A 40 2.659 22.187 12.245 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.613 23.795 12.772 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.792 24.179 11.533 1.00 0.00 H new ATOM 532 N ILE A 41 0.355 23.006 9.562 1.00 0.00 N ATOM 533 CA ILE A 41 -0.578 22.894 8.453 1.00 0.00 C ATOM 534 C ILE A 41 -1.843 22.175 8.927 1.00 0.00 C ATOM 535 O ILE A 41 -2.950 22.682 8.756 1.00 0.00 O ATOM 536 CB ILE A 41 0.096 22.228 7.252 1.00 0.00 C ATOM 537 CG1 ILE A 41 -0.881 22.091 6.082 1.00 0.00 C ATOM 538 CG2 ILE A 41 0.711 20.883 7.645 1.00 0.00 C ATOM 539 CD1 ILE A 41 -0.132 21.992 4.751 1.00 0.00 C ATOM 0 H ILE A 41 1.322 22.779 9.330 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.883 23.882 8.110 1.00 0.00 H new ATOM 0 HB ILE A 41 0.911 22.870 6.918 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.500 21.205 6.222 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.553 22.949 6.062 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.184 20.430 6.773 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.458 21.038 8.423 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.070 20.221 8.019 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.849 21.895 3.936 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.467 22.891 4.603 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.521 21.119 4.765 1.00 0.00 H new ATOM 551 N ALA A 42 -1.635 21.004 9.512 1.00 0.00 N ATOM 552 CA ALA A 42 -2.745 20.210 10.011 1.00 0.00 C ATOM 553 C ALA A 42 -3.559 21.046 11.001 1.00 0.00 C ATOM 554 O ALA A 42 -4.788 20.988 11.004 1.00 0.00 O ATOM 555 CB ALA A 42 -2.209 18.922 10.639 1.00 0.00 C ATOM 0 H ALA A 42 -0.715 20.586 9.651 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.410 19.924 9.196 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.041 18.326 11.013 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.663 18.351 9.888 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.540 19.170 11.463 1.00 0.00 H new ATOM 561 N ALA A 43 -2.842 21.803 11.818 1.00 0.00 N ATOM 562 CA ALA A 43 -3.483 22.649 12.811 1.00 0.00 C ATOM 563 C ALA A 43 -4.346 23.694 12.102 1.00 0.00 C ATOM 564 O ALA A 43 -5.360 24.136 12.641 1.00 0.00 O ATOM 565 CB ALA A 43 -2.417 23.283 13.706 1.00 0.00 C ATOM 0 H ALA A 43 -1.823 21.848 11.813 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.138 22.060 13.452 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.898 23.917 14.451 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.850 22.499 14.208 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.742 23.885 13.098 1.00 0.00 H new ATOM 571 N SER A 44 -3.913 24.060 10.905 1.00 0.00 N ATOM 572 CA SER A 44 -4.634 25.045 10.117 1.00 0.00 C ATOM 573 C SER A 44 -5.941 24.445 9.597 1.00 0.00 C ATOM 574 O SER A 44 -7.024 24.929 9.924 1.00 0.00 O ATOM 575 CB SER A 44 -3.781 25.549 8.951 1.00 0.00 C ATOM 576 OG SER A 44 -3.846 26.966 8.815 1.00 0.00 O ATOM 0 H SER A 44 -3.072 23.692 10.461 1.00 0.00 H new ATOM 0 HA SER A 44 -4.862 25.895 10.759 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.745 25.247 9.103 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.118 25.080 8.026 1.00 0.00 H new ATOM 0 HG SER A 44 -3.287 27.248 8.061 1.00 0.00 H new ATOM 582 N SER A 45 -5.798 23.400 8.795 1.00 0.00 N ATOM 583 CA SER A 45 -6.954 22.728 8.227 1.00 0.00 C ATOM 584 C SER A 45 -7.977 22.427 9.325 1.00 0.00 C ATOM 585 O SER A 45 -9.135 22.828 9.225 1.00 0.00 O ATOM 586 CB SER A 45 -6.546 21.438 7.514 1.00 0.00 C ATOM 587 OG SER A 45 -6.360 21.637 6.115 1.00 0.00 O ATOM 0 H SER A 45 -4.898 23.002 8.525 1.00 0.00 H new ATOM 0 HA SER A 45 -7.407 23.391 7.490 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.623 21.058 7.952 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.311 20.678 7.674 1.00 0.00 H new ATOM 0 HG SER A 45 -6.099 20.791 5.696 1.00 0.00 H new ATOM 593 N ILE A 46 -7.511 21.724 10.346 1.00 0.00 N ATOM 594 CA ILE A 46 -8.370 21.365 11.462 1.00 0.00 C ATOM 595 C ILE A 46 -9.045 22.626 12.006 1.00 0.00 C ATOM 596 O ILE A 46 -10.268 22.679 12.122 1.00 0.00 O ATOM 597 CB ILE A 46 -7.582 20.585 12.516 1.00 0.00 C ATOM 598 CG1 ILE A 46 -7.113 19.237 11.963 1.00 0.00 C ATOM 599 CG2 ILE A 46 -8.396 20.425 13.802 1.00 0.00 C ATOM 600 CD1 ILE A 46 -5.888 18.728 12.726 1.00 0.00 C ATOM 0 H ILE A 46 -6.549 21.393 10.424 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.164 20.695 11.132 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.690 21.158 12.769 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.921 18.509 12.037 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.871 19.338 10.905 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -7.813 19.867 14.535 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.638 21.409 14.204 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -9.318 19.885 13.584 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.575 17.769 12.313 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.075 19.447 12.630 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.141 18.605 13.779 1.00 0.00 H new ATOM 612 N ALA A 47 -8.217 23.610 12.327 1.00 0.00 N ATOM 613 CA ALA A 47 -8.719 24.866 12.857 1.00 0.00 C ATOM 614 C ALA A 47 -9.834 25.388 11.949 1.00 0.00 C ATOM 615 O ALA A 47 -10.799 25.985 12.426 1.00 0.00 O ATOM 616 CB ALA A 47 -7.564 25.860 12.992 1.00 0.00 C ATOM 0 H ALA A 47 -7.203 23.563 12.230 1.00 0.00 H new ATOM 0 HA ALA A 47 -9.143 24.722 13.851 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.940 26.803 13.390 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.812 25.455 13.669 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.116 26.032 12.013 1.00 0.00 H new ATOM 622 N ALA A 48 -9.666 25.145 10.658 1.00 0.00 N ATOM 623 CA ALA A 48 -10.646 25.584 9.679 1.00 0.00 C ATOM 624 C ALA A 48 -11.900 24.715 9.796 1.00 0.00 C ATOM 625 O ALA A 48 -12.986 25.220 10.079 1.00 0.00 O ATOM 626 CB ALA A 48 -10.030 25.533 8.280 1.00 0.00 C ATOM 0 H ALA A 48 -8.865 24.649 10.267 1.00 0.00 H new ATOM 0 HA ALA A 48 -10.940 26.616 9.867 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -10.766 25.862 7.546 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.160 26.189 8.241 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.724 24.511 8.054 1.00 0.00 H new ATOM 632 N LYS A 49 -11.709 23.423 9.572 1.00 0.00 N ATOM 633 CA LYS A 49 -12.811 22.479 9.648 1.00 0.00 C ATOM 634 C LYS A 49 -13.473 22.585 11.023 1.00 0.00 C ATOM 635 O LYS A 49 -12.819 22.930 12.006 1.00 0.00 O ATOM 636 CB LYS A 49 -12.333 21.068 9.302 1.00 0.00 C ATOM 637 CG LYS A 49 -13.442 20.264 8.621 1.00 0.00 C ATOM 638 CD LYS A 49 -12.908 18.932 8.090 1.00 0.00 C ATOM 639 CE LYS A 49 -13.313 18.722 6.630 1.00 0.00 C ATOM 640 NZ LYS A 49 -12.451 19.522 5.732 1.00 0.00 N ATOM 0 H LYS A 49 -10.807 23.008 9.338 1.00 0.00 H new ATOM 0 HA LYS A 49 -13.573 22.722 8.907 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.465 21.125 8.645 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -12.013 20.556 10.209 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -14.250 20.079 9.329 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.864 20.844 7.800 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.822 18.911 8.176 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.292 18.113 8.699 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -13.234 17.666 6.373 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -14.356 19.007 6.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.740 19.367 4.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -12.547 20.531 5.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.460 19.231 5.852 1.00 0.00 H new ATOM 823 N ALA A 64 -9.463 10.933 -1.062 1.00 0.00 N ATOM 824 CA ALA A 64 -9.650 12.374 -1.030 1.00 0.00 C ATOM 825 C ALA A 64 -9.713 12.908 -2.462 1.00 0.00 C ATOM 826 O ALA A 64 -10.768 13.344 -2.920 1.00 0.00 O ATOM 827 CB ALA A 64 -8.525 13.017 -0.217 1.00 0.00 C ATOM 0 HA ALA A 64 -10.591 12.628 -0.542 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.665 14.098 -0.193 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.542 12.626 0.800 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.565 12.786 -0.678 1.00 0.00 H new ATOM 833 N GLY A 65 -8.570 12.856 -3.130 1.00 0.00 N ATOM 834 CA GLY A 65 -8.482 13.329 -4.501 1.00 0.00 C ATOM 835 C GLY A 65 -7.170 12.886 -5.151 1.00 0.00 C ATOM 836 O GLY A 65 -7.030 11.731 -5.552 1.00 0.00 O ATOM 0 H GLY A 65 -7.697 12.493 -2.747 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.325 12.946 -5.076 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.552 14.417 -4.519 1.00 0.00 H new ATOM 840 N SER A 66 -6.241 13.827 -5.235 1.00 0.00 N ATOM 841 CA SER A 66 -4.945 13.549 -5.829 1.00 0.00 C ATOM 842 C SER A 66 -4.337 12.296 -5.195 1.00 0.00 C ATOM 843 O SER A 66 -3.782 11.449 -5.893 1.00 0.00 O ATOM 844 CB SER A 66 -3.997 14.739 -5.667 1.00 0.00 C ATOM 845 OG SER A 66 -3.423 15.137 -6.909 1.00 0.00 O ATOM 0 H SER A 66 -6.361 14.783 -4.901 1.00 0.00 H new ATOM 0 HA SER A 66 -5.088 13.376 -6.896 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.540 15.579 -5.233 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.203 14.477 -4.968 1.00 0.00 H new ATOM 0 HG SER A 66 -2.826 15.900 -6.764 1.00 0.00 H new ATOM 851 N LEU A 67 -4.462 12.218 -3.878 1.00 0.00 N ATOM 852 CA LEU A 67 -3.931 11.084 -3.142 1.00 0.00 C ATOM 853 C LEU A 67 -4.374 9.787 -3.823 1.00 0.00 C ATOM 854 O LEU A 67 -3.613 8.823 -3.885 1.00 0.00 O ATOM 855 CB LEU A 67 -4.327 11.170 -1.666 1.00 0.00 C ATOM 856 CG LEU A 67 -3.189 11.442 -0.681 1.00 0.00 C ATOM 857 CD1 LEU A 67 -3.568 12.552 0.301 1.00 0.00 C ATOM 858 CD2 LEU A 67 -2.768 10.159 0.038 1.00 0.00 C ATOM 0 H LEU A 67 -4.923 12.922 -3.302 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.841 11.097 -3.157 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.072 11.958 -1.556 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.809 10.234 -1.384 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.325 11.793 -1.245 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.742 12.726 0.990 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.780 13.468 -0.250 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.453 12.254 0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.958 10.380 0.732 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.618 9.755 0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.429 9.426 -0.694 1.00 0.00 H new ATOM 870 N VAL A 68 -5.604 9.805 -4.316 1.00 0.00 N ATOM 871 CA VAL A 68 -6.157 8.643 -4.990 1.00 0.00 C ATOM 872 C VAL A 68 -5.170 8.158 -6.053 1.00 0.00 C ATOM 873 O VAL A 68 -4.869 6.967 -6.128 1.00 0.00 O ATOM 874 CB VAL A 68 -7.536 8.978 -5.562 1.00 0.00 C ATOM 875 CG1 VAL A 68 -8.185 7.741 -6.187 1.00 0.00 C ATOM 876 CG2 VAL A 68 -8.441 9.590 -4.491 1.00 0.00 C ATOM 0 H VAL A 68 -6.233 10.606 -4.262 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.302 7.825 -4.285 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.401 9.720 -6.349 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.164 8.006 -6.586 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.554 7.367 -6.993 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.300 6.968 -5.428 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.415 9.819 -4.925 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.566 8.882 -3.672 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.988 10.506 -4.112 1.00 0.00 H new ATOM 886 N ALA A 69 -4.694 9.104 -6.849 1.00 0.00 N ATOM 887 CA ALA A 69 -3.747 8.787 -7.904 1.00 0.00 C ATOM 888 C ALA A 69 -2.510 8.125 -7.293 1.00 0.00 C ATOM 889 O ALA A 69 -1.914 7.236 -7.899 1.00 0.00 O ATOM 890 CB ALA A 69 -3.402 10.060 -8.680 1.00 0.00 C ATOM 0 H ALA A 69 -4.946 10.090 -6.784 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.183 8.081 -8.611 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.691 9.822 -9.472 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.309 10.475 -9.119 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.960 10.790 -8.003 1.00 0.00 H new ATOM 896 N ILE A 70 -2.162 8.583 -6.099 1.00 0.00 N ATOM 897 CA ILE A 70 -1.008 8.045 -5.399 1.00 0.00 C ATOM 898 C ILE A 70 -1.325 6.630 -4.913 1.00 0.00 C ATOM 899 O ILE A 70 -0.440 5.778 -4.853 1.00 0.00 O ATOM 900 CB ILE A 70 -0.569 8.995 -4.283 1.00 0.00 C ATOM 901 CG1 ILE A 70 -0.059 10.318 -4.858 1.00 0.00 C ATOM 902 CG2 ILE A 70 0.465 8.330 -3.372 1.00 0.00 C ATOM 903 CD1 ILE A 70 -0.643 11.509 -4.095 1.00 0.00 C ATOM 0 H ILE A 70 -2.659 9.320 -5.599 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.155 7.966 -6.074 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.439 9.225 -3.668 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.029 10.346 -4.805 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.329 10.389 -5.912 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.760 9.027 -2.587 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.032 7.437 -2.921 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.341 8.051 -3.958 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.264 12.437 -4.524 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.730 11.492 -4.170 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.351 11.448 -3.047 1.00 0.00 H new ATOM 915 N LEU A 71 -2.591 6.423 -4.578 1.00 0.00 N ATOM 916 CA LEU A 71 -3.035 5.126 -4.099 1.00 0.00 C ATOM 917 C LEU A 71 -2.932 4.105 -5.234 1.00 0.00 C ATOM 918 O LEU A 71 -2.493 2.976 -5.020 1.00 0.00 O ATOM 919 CB LEU A 71 -4.436 5.230 -3.492 1.00 0.00 C ATOM 920 CG LEU A 71 -4.570 4.782 -2.035 1.00 0.00 C ATOM 921 CD1 LEU A 71 -4.673 5.988 -1.098 1.00 0.00 C ATOM 922 CD2 LEU A 71 -5.747 3.820 -1.863 1.00 0.00 C ATOM 0 H LEU A 71 -3.322 7.132 -4.629 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.388 4.776 -3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.766 6.266 -3.565 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.118 4.635 -4.099 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.667 4.237 -1.761 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.767 5.642 -0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.777 6.601 -1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.548 6.581 -1.363 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.820 3.517 -0.818 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.670 4.317 -2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.591 2.939 -2.486 1.00 0.00 H new ATOM 934 N GLN A 72 -3.343 4.539 -6.417 1.00 0.00 N ATOM 935 CA GLN A 72 -3.302 3.677 -7.586 1.00 0.00 C ATOM 936 C GLN A 72 -1.855 3.323 -7.934 1.00 0.00 C ATOM 937 O GLN A 72 -1.505 2.147 -8.031 1.00 0.00 O ATOM 938 CB GLN A 72 -4.008 4.331 -8.775 1.00 0.00 C ATOM 939 CG GLN A 72 -5.471 3.891 -8.855 1.00 0.00 C ATOM 940 CD GLN A 72 -6.379 5.068 -9.217 1.00 0.00 C ATOM 941 OE1 GLN A 72 -5.934 6.182 -9.442 1.00 0.00 O ATOM 942 NE2 GLN A 72 -7.672 4.760 -9.261 1.00 0.00 N ATOM 0 H GLN A 72 -3.706 5.476 -6.591 1.00 0.00 H new ATOM 0 HA GLN A 72 -3.835 2.755 -7.352 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.956 5.416 -8.682 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -3.494 4.065 -9.699 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -5.577 3.103 -9.600 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -5.780 3.469 -7.899 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -7.976 3.807 -9.062 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -8.359 5.477 -9.494 1.00 0.00 H new ATOM 951 N SER A 73 -1.052 4.361 -8.112 1.00 0.00 N ATOM 952 CA SER A 73 0.350 4.175 -8.447 1.00 0.00 C ATOM 953 C SER A 73 1.066 3.441 -7.312 1.00 0.00 C ATOM 954 O SER A 73 1.449 2.282 -7.461 1.00 0.00 O ATOM 955 CB SER A 73 1.032 5.515 -8.727 1.00 0.00 C ATOM 956 OG SER A 73 1.830 5.472 -9.907 1.00 0.00 O ATOM 0 H SER A 73 -1.345 5.335 -8.031 1.00 0.00 H new ATOM 0 HA SER A 73 0.408 3.573 -9.354 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.275 6.293 -8.829 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.657 5.788 -7.877 1.00 0.00 H new ATOM 0 HG SER A 73 2.247 6.347 -10.052 1.00 0.00 H new ATOM 962 N VAL A 74 1.226 4.147 -6.202 1.00 0.00 N ATOM 963 CA VAL A 74 1.889 3.578 -5.042 1.00 0.00 C ATOM 964 C VAL A 74 1.302 2.195 -4.751 1.00 0.00 C ATOM 965 O VAL A 74 2.001 1.312 -4.257 1.00 0.00 O ATOM 966 CB VAL A 74 1.780 4.536 -3.854 1.00 0.00 C ATOM 967 CG1 VAL A 74 0.539 4.228 -3.014 1.00 0.00 C ATOM 968 CG2 VAL A 74 3.046 4.493 -2.996 1.00 0.00 C ATOM 0 H VAL A 74 0.907 5.109 -6.082 1.00 0.00 H new ATOM 0 HA VAL A 74 2.953 3.445 -5.238 1.00 0.00 H new ATOM 0 HB VAL A 74 1.677 5.547 -4.248 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.485 4.923 -2.176 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.353 4.333 -3.631 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.600 3.208 -2.636 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.942 5.183 -2.159 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.194 3.482 -2.617 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.905 4.783 -3.601 1.00 0.00 H new ATOM 978 N GLY A 75 0.025 2.051 -5.071 1.00 0.00 N ATOM 979 CA GLY A 75 -0.664 0.791 -4.850 1.00 0.00 C ATOM 980 C GLY A 75 -0.003 -0.341 -5.639 1.00 0.00 C ATOM 981 O GLY A 75 0.575 -1.255 -5.054 1.00 0.00 O ATOM 0 H GLY A 75 -0.551 2.786 -5.482 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.657 0.550 -3.787 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.708 0.886 -5.149 1.00 0.00 H new ATOM 985 N ALA A 76 -0.111 -0.242 -6.956 1.00 0.00 N ATOM 986 CA ALA A 76 0.469 -1.246 -7.832 1.00 0.00 C ATOM 987 C ALA A 76 1.992 -1.227 -7.684 1.00 0.00 C ATOM 988 O ALA A 76 2.589 -2.210 -7.248 1.00 0.00 O ATOM 989 CB ALA A 76 0.020 -0.990 -9.271 1.00 0.00 C ATOM 0 H ALA A 76 -0.591 0.518 -7.438 1.00 0.00 H new ATOM 0 HA ALA A 76 0.123 -2.242 -7.556 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.455 -1.743 -9.927 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -1.067 -1.044 -9.328 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.351 -0.000 -9.585 1.00 0.00 H new ATOM 995 N ALA A 77 2.576 -0.098 -8.055 1.00 0.00 N ATOM 996 CA ALA A 77 4.018 0.062 -7.969 1.00 0.00 C ATOM 997 C ALA A 77 4.514 -0.526 -6.647 1.00 0.00 C ATOM 998 O ALA A 77 5.399 -1.381 -6.637 1.00 0.00 O ATOM 999 CB ALA A 77 4.377 1.542 -8.121 1.00 0.00 C ATOM 0 H ALA A 77 2.077 0.715 -8.416 1.00 0.00 H new ATOM 0 HA ALA A 77 4.513 -0.478 -8.776 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.458 1.663 -8.057 1.00 0.00 H new ATOM 0 HB2 ALA A 77 4.029 1.903 -9.089 1.00 0.00 H new ATOM 0 HB3 ALA A 77 3.900 2.116 -7.326 1.00 0.00 H new ATOM 1005 N GLY A 78 3.923 -0.045 -5.563 1.00 0.00 N ATOM 1006 CA GLY A 78 4.294 -0.512 -4.238 1.00 0.00 C ATOM 1007 C GLY A 78 4.287 -2.041 -4.174 1.00 0.00 C ATOM 1008 O GLY A 78 5.342 -2.667 -4.087 1.00 0.00 O ATOM 0 H GLY A 78 3.190 0.664 -5.575 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.285 -0.138 -3.981 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.600 -0.110 -3.499 1.00 0.00 H new ATOM 1012 N LEU A 79 3.085 -2.598 -4.221 1.00 0.00 N ATOM 1013 CA LEU A 79 2.927 -4.042 -4.170 1.00 0.00 C ATOM 1014 C LEU A 79 3.954 -4.696 -5.096 1.00 0.00 C ATOM 1015 O LEU A 79 4.409 -5.809 -4.836 1.00 0.00 O ATOM 1016 CB LEU A 79 1.481 -4.433 -4.480 1.00 0.00 C ATOM 1017 CG LEU A 79 0.562 -4.619 -3.270 1.00 0.00 C ATOM 1018 CD1 LEU A 79 1.050 -5.765 -2.382 1.00 0.00 C ATOM 1019 CD2 LEU A 79 0.414 -3.312 -2.489 1.00 0.00 C ATOM 0 H LEU A 79 2.212 -2.076 -4.294 1.00 0.00 H new ATOM 0 HA LEU A 79 3.124 -4.412 -3.164 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.049 -3.668 -5.125 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.491 -5.362 -5.050 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.429 -4.892 -3.632 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.380 -5.876 -1.530 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.062 -6.691 -2.957 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.057 -5.546 -2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.244 -3.471 -1.635 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.393 -2.985 -2.138 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.013 -2.547 -3.138 1.00 0.00 H new ATOM 1031 N SER A 80 4.289 -3.977 -6.158 1.00 0.00 N ATOM 1032 CA SER A 80 5.253 -4.475 -7.124 1.00 0.00 C ATOM 1033 C SER A 80 6.617 -4.658 -6.455 1.00 0.00 C ATOM 1034 O SER A 80 7.012 -5.779 -6.140 1.00 0.00 O ATOM 1035 CB SER A 80 5.372 -3.529 -8.321 1.00 0.00 C ATOM 1036 OG SER A 80 5.170 -4.206 -9.558 1.00 0.00 O ATOM 0 H SER A 80 3.910 -3.054 -6.370 1.00 0.00 H new ATOM 0 HA SER A 80 4.903 -5.440 -7.491 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.641 -2.727 -8.223 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.358 -3.064 -8.319 1.00 0.00 H new ATOM 0 HG SER A 80 5.252 -3.568 -10.297 1.00 0.00 H new ATOM 1042 N VAL A 81 7.299 -3.539 -6.259 1.00 0.00 N ATOM 1043 CA VAL A 81 8.611 -3.562 -5.634 1.00 0.00 C ATOM 1044 C VAL A 81 8.557 -4.435 -4.379 1.00 0.00 C ATOM 1045 O VAL A 81 9.566 -5.013 -3.976 1.00 0.00 O ATOM 1046 CB VAL A 81 9.080 -2.133 -5.349 1.00 0.00 C ATOM 1047 CG1 VAL A 81 10.338 -2.133 -4.478 1.00 0.00 C ATOM 1048 CG2 VAL A 81 9.313 -1.363 -6.650 1.00 0.00 C ATOM 0 H VAL A 81 6.968 -2.611 -6.522 1.00 0.00 H new ATOM 0 HA VAL A 81 9.347 -4.003 -6.306 1.00 0.00 H new ATOM 0 HB VAL A 81 8.290 -1.624 -4.796 1.00 0.00 H new ATOM 0 HG11 VAL A 81 10.651 -1.106 -4.290 1.00 0.00 H new ATOM 0 HG12 VAL A 81 10.124 -2.626 -3.530 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.137 -2.667 -4.993 1.00 0.00 H new ATOM 0 HG21 VAL A 81 9.646 -0.351 -6.419 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.076 -1.870 -7.241 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.384 -1.319 -7.218 1.00 0.00 H new ATOM 1058 N THR A 82 7.370 -4.504 -3.795 1.00 0.00 N ATOM 1059 CA THR A 82 7.172 -5.297 -2.593 1.00 0.00 C ATOM 1060 C THR A 82 7.430 -6.777 -2.883 1.00 0.00 C ATOM 1061 O THR A 82 8.516 -7.286 -2.608 1.00 0.00 O ATOM 1062 CB THR A 82 5.762 -5.017 -2.070 1.00 0.00 C ATOM 1063 OG1 THR A 82 5.879 -3.760 -1.409 1.00 0.00 O ATOM 1064 CG2 THR A 82 5.347 -5.984 -0.958 1.00 0.00 C ATOM 0 H THR A 82 6.535 -4.024 -4.132 1.00 0.00 H new ATOM 0 HA THR A 82 7.884 -5.022 -1.815 1.00 0.00 H new ATOM 0 HB THR A 82 5.051 -5.082 -2.893 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.746 -3.036 -2.056 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.339 -5.742 -0.623 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.367 -7.005 -1.338 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.039 -5.894 -0.121 1.00 0.00 H new ATOM 1072 N SER A 83 6.414 -7.425 -3.433 1.00 0.00 N ATOM 1073 CA SER A 83 6.518 -8.837 -3.763 1.00 0.00 C ATOM 1074 C SER A 83 7.813 -9.101 -4.533 1.00 0.00 C ATOM 1075 O SER A 83 8.529 -10.057 -4.240 1.00 0.00 O ATOM 1076 CB SER A 83 5.311 -9.301 -4.580 1.00 0.00 C ATOM 1077 OG SER A 83 4.388 -10.049 -3.792 1.00 0.00 O ATOM 0 H SER A 83 5.515 -6.999 -3.659 1.00 0.00 H new ATOM 0 HA SER A 83 6.534 -9.405 -2.833 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.806 -8.434 -5.004 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.652 -9.912 -5.416 1.00 0.00 H new ATOM 0 HG SER A 83 3.631 -10.325 -4.349 1.00 0.00 H new ATOM 1083 N LYS A 84 8.075 -8.235 -5.501 1.00 0.00 N ATOM 1084 CA LYS A 84 9.272 -8.363 -6.315 1.00 0.00 C ATOM 1085 C LYS A 84 10.494 -8.489 -5.402 1.00 0.00 C ATOM 1086 O LYS A 84 11.338 -9.360 -5.606 1.00 0.00 O ATOM 1087 CB LYS A 84 9.367 -7.207 -7.313 1.00 0.00 C ATOM 1088 CG LYS A 84 8.511 -7.480 -8.551 1.00 0.00 C ATOM 1089 CD LYS A 84 8.720 -6.398 -9.612 1.00 0.00 C ATOM 1090 CE LYS A 84 7.924 -6.712 -10.880 1.00 0.00 C ATOM 1091 NZ LYS A 84 7.284 -5.486 -11.407 1.00 0.00 N ATOM 0 H LYS A 84 7.479 -7.442 -5.740 1.00 0.00 H new ATOM 0 HA LYS A 84 9.228 -9.271 -6.917 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.040 -6.283 -6.837 1.00 0.00 H new ATOM 0 HB3 LYS A 84 10.406 -7.062 -7.609 1.00 0.00 H new ATOM 0 HG2 LYS A 84 8.766 -8.455 -8.966 1.00 0.00 H new ATOM 0 HG3 LYS A 84 7.459 -7.519 -8.269 1.00 0.00 H new ATOM 0 HD2 LYS A 84 8.412 -5.431 -9.215 1.00 0.00 H new ATOM 0 HD3 LYS A 84 9.780 -6.321 -9.854 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.585 -7.138 -11.635 1.00 0.00 H new ATOM 0 HE3 LYS A 84 7.163 -7.462 -10.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 6.804 -5.703 -12.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.589 -5.134 -10.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 8.009 -4.758 -11.570 1.00 0.00 H new ATOM 1105 N VAL A 85 10.548 -7.607 -4.415 1.00 0.00 N ATOM 1106 CA VAL A 85 11.652 -7.609 -3.470 1.00 0.00 C ATOM 1107 C VAL A 85 11.608 -8.895 -2.644 1.00 0.00 C ATOM 1108 O VAL A 85 12.644 -9.385 -2.196 1.00 0.00 O ATOM 1109 CB VAL A 85 11.607 -6.344 -2.610 1.00 0.00 C ATOM 1110 CG1 VAL A 85 12.355 -6.550 -1.292 1.00 0.00 C ATOM 1111 CG2 VAL A 85 12.164 -5.141 -3.374 1.00 0.00 C ATOM 0 H VAL A 85 9.845 -6.886 -4.249 1.00 0.00 H new ATOM 0 HA VAL A 85 12.606 -7.594 -3.997 1.00 0.00 H new ATOM 0 HB VAL A 85 10.563 -6.137 -2.374 1.00 0.00 H new ATOM 0 HG11 VAL A 85 12.308 -5.636 -0.700 1.00 0.00 H new ATOM 0 HG12 VAL A 85 11.894 -7.367 -0.736 1.00 0.00 H new ATOM 0 HG13 VAL A 85 13.397 -6.794 -1.499 1.00 0.00 H new ATOM 0 HG21 VAL A 85 12.120 -4.255 -2.740 1.00 0.00 H new ATOM 0 HG22 VAL A 85 13.199 -5.336 -3.655 1.00 0.00 H new ATOM 0 HG23 VAL A 85 11.570 -4.974 -4.272 1.00 0.00 H new ATOM 1121 N ILE A 86 10.399 -9.406 -2.466 1.00 0.00 N ATOM 1122 CA ILE A 86 10.206 -10.626 -1.701 1.00 0.00 C ATOM 1123 C ILE A 86 10.705 -11.820 -2.519 1.00 0.00 C ATOM 1124 O ILE A 86 11.730 -12.416 -2.192 1.00 0.00 O ATOM 1125 CB ILE A 86 8.749 -10.754 -1.253 1.00 0.00 C ATOM 1126 CG1 ILE A 86 8.373 -9.631 -0.284 1.00 0.00 C ATOM 1127 CG2 ILE A 86 8.477 -12.138 -0.661 1.00 0.00 C ATOM 1128 CD1 ILE A 86 6.855 -9.536 -0.118 1.00 0.00 C ATOM 0 H ILE A 86 9.542 -8.997 -2.839 1.00 0.00 H new ATOM 0 HA ILE A 86 10.795 -10.597 -0.784 1.00 0.00 H new ATOM 0 HB ILE A 86 8.111 -10.649 -2.130 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.838 -9.811 0.685 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.762 -8.682 -0.653 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.434 -12.202 -0.350 1.00 0.00 H new ATOM 0 HG22 ILE A 86 8.680 -12.901 -1.412 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.123 -12.298 0.202 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.615 -8.730 0.576 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.395 -9.332 -1.085 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.472 -10.478 0.274 1.00 0.00 H new ATOM 1140 N GLY A 87 9.957 -12.132 -3.567 1.00 0.00 N ATOM 1141 CA GLY A 87 10.310 -13.243 -4.434 1.00 0.00 C ATOM 1142 C GLY A 87 9.261 -13.438 -5.530 1.00 0.00 C ATOM 1143 O GLY A 87 9.599 -13.522 -6.710 1.00 0.00 O ATOM 0 H GLY A 87 9.108 -11.635 -3.835 1.00 0.00 H new ATOM 0 HA2 GLY A 87 11.284 -13.060 -4.887 1.00 0.00 H new ATOM 0 HA3 GLY A 87 10.399 -14.155 -3.844 1.00 0.00 H new ATOM 1147 N GLY A 88 8.009 -13.505 -5.102 1.00 0.00 N ATOM 1148 CA GLY A 88 6.909 -13.689 -6.033 1.00 0.00 C ATOM 1149 C GLY A 88 6.450 -15.149 -6.059 1.00 0.00 C ATOM 1150 O GLY A 88 6.079 -15.667 -7.111 1.00 0.00 O ATOM 0 H GLY A 88 7.732 -13.435 -4.123 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.075 -13.047 -5.748 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.219 -13.384 -7.032 1.00 0.00 H new ATOM 1154 N PHE A 89 6.492 -15.770 -4.889 1.00 0.00 N ATOM 1155 CA PHE A 89 6.086 -17.159 -4.765 1.00 0.00 C ATOM 1156 C PHE A 89 5.041 -17.328 -3.660 1.00 0.00 C ATOM 1157 O PHE A 89 3.982 -17.912 -3.887 1.00 0.00 O ATOM 1158 CB PHE A 89 7.336 -17.959 -4.395 1.00 0.00 C ATOM 1159 CG PHE A 89 7.579 -19.181 -5.283 1.00 0.00 C ATOM 1160 CD1 PHE A 89 8.127 -19.026 -6.518 1.00 0.00 C ATOM 1161 CD2 PHE A 89 7.246 -20.422 -4.838 1.00 0.00 C ATOM 1162 CE1 PHE A 89 8.352 -20.160 -7.342 1.00 0.00 C ATOM 1163 CE2 PHE A 89 7.471 -21.557 -5.662 1.00 0.00 C ATOM 1164 CZ PHE A 89 8.019 -21.402 -6.897 1.00 0.00 C ATOM 0 H PHE A 89 6.801 -15.336 -4.019 1.00 0.00 H new ATOM 0 HA PHE A 89 5.645 -17.503 -5.701 1.00 0.00 H new ATOM 0 HB2 PHE A 89 8.205 -17.303 -4.452 1.00 0.00 H new ATOM 0 HB3 PHE A 89 7.251 -18.287 -3.359 1.00 0.00 H new ATOM 0 HD1 PHE A 89 8.391 -18.040 -6.872 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.810 -20.545 -3.857 1.00 0.00 H new ATOM 0 HE1 PHE A 89 8.788 -20.037 -8.323 1.00 0.00 H new ATOM 0 HE2 PHE A 89 7.207 -22.543 -5.308 1.00 0.00 H new ATOM 0 HZ PHE A 89 8.190 -22.264 -7.524 1.00 0.00 H new ATOM 1174 N ALA A 90 5.375 -16.807 -2.489 1.00 0.00 N ATOM 1175 CA ALA A 90 4.479 -16.893 -1.349 1.00 0.00 C ATOM 1176 C ALA A 90 4.359 -18.353 -0.909 1.00 0.00 C ATOM 1177 O ALA A 90 3.273 -18.931 -0.951 1.00 0.00 O ATOM 1178 CB ALA A 90 3.125 -16.281 -1.716 1.00 0.00 C ATOM 0 H ALA A 90 6.254 -16.324 -2.305 1.00 0.00 H new ATOM 0 HA ALA A 90 4.875 -16.326 -0.506 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.453 -16.346 -0.861 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.261 -15.235 -1.992 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.696 -16.826 -2.557 1.00 0.00 H new ATOM 1184 N GLY A 91 5.489 -18.909 -0.497 1.00 0.00 N ATOM 1185 CA GLY A 91 5.523 -20.291 -0.050 1.00 0.00 C ATOM 1186 C GLY A 91 5.870 -20.378 1.438 1.00 0.00 C ATOM 1187 O GLY A 91 5.039 -20.782 2.250 1.00 0.00 O ATOM 0 H GLY A 91 6.388 -18.427 -0.463 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.555 -20.759 -0.229 1.00 0.00 H new ATOM 0 HA3 GLY A 91 6.258 -20.847 -0.632 1.00 0.00 H new ATOM 1191 N THR A 92 7.098 -19.991 1.750 1.00 0.00 N ATOM 1192 CA THR A 92 7.564 -20.020 3.126 1.00 0.00 C ATOM 1193 C THR A 92 6.711 -19.098 3.998 1.00 0.00 C ATOM 1194 O THR A 92 5.671 -18.609 3.558 1.00 0.00 O ATOM 1195 CB THR A 92 9.050 -19.656 3.129 1.00 0.00 C ATOM 1196 OG1 THR A 92 9.156 -18.622 2.154 1.00 0.00 O ATOM 1197 CG2 THR A 92 9.930 -20.779 2.578 1.00 0.00 C ATOM 0 H THR A 92 7.784 -19.656 1.074 1.00 0.00 H new ATOM 0 HA THR A 92 7.457 -21.015 3.559 1.00 0.00 H new ATOM 0 HB THR A 92 9.362 -19.416 4.145 1.00 0.00 H new ATOM 0 HG1 THR A 92 10.088 -18.325 2.092 1.00 0.00 H new ATOM 0 HG21 THR A 92 10.974 -20.468 2.603 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.803 -21.673 3.188 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.641 -20.997 1.550 1.00 0.00 H new