USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=13 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 Single : A 9 SER OG : rot 180:sc= 0 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 46:sc= 0.0409 USER MOD Single : A 38 SER OG : rot 170:sc= -0.378 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 X(o=0,f=-0.054) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 56:sc= 0.752 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N SER A 9 -11.587 -12.376 1.744 1.00 0.00 N ATOM 117 CA SER A 9 -10.604 -12.188 2.797 1.00 0.00 C ATOM 118 C SER A 9 -11.191 -12.615 4.144 1.00 0.00 C ATOM 119 O SER A 9 -12.031 -11.915 4.709 1.00 0.00 O ATOM 120 CB SER A 9 -10.135 -10.733 2.860 1.00 0.00 C ATOM 121 OG SER A 9 -9.240 -10.414 1.798 1.00 0.00 O ATOM 0 HA SER A 9 -9.739 -12.811 2.571 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.000 -10.071 2.816 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.643 -10.552 3.816 1.00 0.00 H new ATOM 0 HG SER A 9 -8.965 -9.476 1.872 1.00 0.00 H new ATOM 127 N GLY A 10 -10.727 -13.761 4.619 1.00 0.00 N ATOM 128 CA GLY A 10 -11.196 -14.290 5.888 1.00 0.00 C ATOM 129 C GLY A 10 -10.959 -13.289 7.021 1.00 0.00 C ATOM 130 O GLY A 10 -10.479 -12.181 6.784 1.00 0.00 O ATOM 0 H GLY A 10 -10.031 -14.338 4.148 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.259 -14.521 5.819 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.680 -15.224 6.110 1.00 0.00 H new ATOM 134 N ARG A 11 -11.306 -13.714 8.226 1.00 0.00 N ATOM 135 CA ARG A 11 -11.136 -12.869 9.396 1.00 0.00 C ATOM 136 C ARG A 11 -9.651 -12.602 9.647 1.00 0.00 C ATOM 137 O ARG A 11 -9.187 -11.471 9.503 1.00 0.00 O ATOM 138 CB ARG A 11 -11.747 -13.519 10.639 1.00 0.00 C ATOM 139 CG ARG A 11 -12.407 -12.472 11.537 1.00 0.00 C ATOM 140 CD ARG A 11 -12.558 -12.993 12.968 1.00 0.00 C ATOM 141 NE ARG A 11 -13.740 -12.376 13.609 1.00 0.00 N ATOM 142 CZ ARG A 11 -15.017 -12.715 13.329 1.00 0.00 C ATOM 143 NH1 ARG A 11 -15.287 -13.670 12.414 1.00 0.00 N ATOM 144 NH2 ARG A 11 -15.997 -12.098 13.963 1.00 0.00 N ATOM 0 H ARG A 11 -11.704 -14.633 8.418 1.00 0.00 H new ATOM 0 HA ARG A 11 -11.650 -11.928 9.202 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.485 -14.263 10.339 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.972 -14.045 11.197 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.809 -11.561 11.539 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -13.386 -12.210 11.137 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.663 -14.078 12.960 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.661 -12.764 13.544 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.580 -11.649 14.306 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -14.524 -14.141 11.928 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -16.254 -13.920 12.208 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -15.784 -11.377 14.653 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -16.967 -12.342 13.763 1.00 0.00 H new ATOM 158 N ALA A 12 -8.946 -13.660 10.016 1.00 0.00 N ATOM 159 CA ALA A 12 -7.522 -13.554 10.288 1.00 0.00 C ATOM 160 C ALA A 12 -6.863 -12.697 9.206 1.00 0.00 C ATOM 161 O ALA A 12 -6.036 -11.838 9.508 1.00 0.00 O ATOM 162 CB ALA A 12 -6.912 -14.955 10.374 1.00 0.00 C ATOM 0 H ALA A 12 -9.334 -14.596 10.133 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.350 -13.065 11.247 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.844 -14.875 10.578 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.394 -15.513 11.177 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.063 -15.476 9.429 1.00 0.00 H new ATOM 168 N ALA A 13 -7.255 -12.959 7.968 1.00 0.00 N ATOM 169 CA ALA A 13 -6.713 -12.222 6.839 1.00 0.00 C ATOM 170 C ALA A 13 -6.608 -10.741 7.206 1.00 0.00 C ATOM 171 O ALA A 13 -5.541 -10.141 7.084 1.00 0.00 O ATOM 172 CB ALA A 13 -7.589 -12.457 5.607 1.00 0.00 C ATOM 0 H ALA A 13 -7.942 -13.672 7.722 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.710 -12.574 6.597 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.182 -11.904 4.760 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.607 -13.521 5.371 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -8.603 -12.114 5.811 1.00 0.00 H new ATOM 178 N VAL A 14 -7.731 -10.192 7.648 1.00 0.00 N ATOM 179 CA VAL A 14 -7.779 -8.792 8.033 1.00 0.00 C ATOM 180 C VAL A 14 -6.561 -8.464 8.900 1.00 0.00 C ATOM 181 O VAL A 14 -5.847 -7.498 8.633 1.00 0.00 O ATOM 182 CB VAL A 14 -9.107 -8.486 8.728 1.00 0.00 C ATOM 183 CG1 VAL A 14 -9.157 -7.031 9.197 1.00 0.00 C ATOM 184 CG2 VAL A 14 -10.291 -8.808 7.814 1.00 0.00 C ATOM 0 H VAL A 14 -8.614 -10.692 7.748 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.733 -8.152 7.152 1.00 0.00 H new ATOM 0 HB VAL A 14 -9.180 -9.125 9.608 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.111 -6.839 9.688 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -8.344 -6.847 9.900 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -9.051 -6.368 8.338 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -11.223 -8.581 8.332 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.225 -8.207 6.907 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.270 -9.865 7.551 1.00 0.00 H new ATOM 194 N ALA A 15 -6.361 -9.287 9.919 1.00 0.00 N ATOM 195 CA ALA A 15 -5.242 -9.096 10.826 1.00 0.00 C ATOM 196 C ALA A 15 -3.943 -9.032 10.020 1.00 0.00 C ATOM 197 O ALA A 15 -3.087 -8.188 10.283 1.00 0.00 O ATOM 198 CB ALA A 15 -5.229 -10.220 11.864 1.00 0.00 C ATOM 0 H ALA A 15 -6.955 -10.087 10.136 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.342 -8.154 11.366 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.390 -10.077 12.545 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.161 -10.204 12.429 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.127 -11.181 11.359 1.00 0.00 H new ATOM 204 N ALA A 16 -3.837 -9.934 9.056 1.00 0.00 N ATOM 205 CA ALA A 16 -2.657 -9.990 8.210 1.00 0.00 C ATOM 206 C ALA A 16 -2.491 -8.654 7.484 1.00 0.00 C ATOM 207 O ALA A 16 -1.370 -8.216 7.229 1.00 0.00 O ATOM 208 CB ALA A 16 -2.778 -11.168 7.242 1.00 0.00 C ATOM 0 H ALA A 16 -4.549 -10.632 8.842 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.762 -10.152 8.811 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.893 -11.210 6.607 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.864 -12.096 7.807 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.664 -11.039 6.621 1.00 0.00 H new ATOM 214 N VAL A 17 -3.624 -8.042 7.170 1.00 0.00 N ATOM 215 CA VAL A 17 -3.619 -6.765 6.478 1.00 0.00 C ATOM 216 C VAL A 17 -3.368 -5.643 7.488 1.00 0.00 C ATOM 217 O VAL A 17 -2.947 -4.549 7.115 1.00 0.00 O ATOM 218 CB VAL A 17 -4.923 -6.586 5.699 1.00 0.00 C ATOM 219 CG1 VAL A 17 -5.031 -5.171 5.127 1.00 0.00 C ATOM 220 CG2 VAL A 17 -5.049 -7.636 4.593 1.00 0.00 C ATOM 0 H VAL A 17 -4.552 -8.408 7.383 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.812 -6.731 5.746 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.751 -6.730 6.394 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.967 -5.071 4.578 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.009 -4.447 5.941 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.194 -4.986 4.454 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.985 -7.487 4.054 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.212 -7.538 3.901 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.040 -8.633 5.035 1.00 0.00 H new ATOM 230 N VAL A 18 -3.636 -5.954 8.748 1.00 0.00 N ATOM 231 CA VAL A 18 -3.444 -4.986 9.815 1.00 0.00 C ATOM 232 C VAL A 18 -1.964 -4.946 10.201 1.00 0.00 C ATOM 233 O VAL A 18 -1.351 -3.880 10.215 1.00 0.00 O ATOM 234 CB VAL A 18 -4.361 -5.318 10.994 1.00 0.00 C ATOM 235 CG1 VAL A 18 -3.978 -4.506 12.232 1.00 0.00 C ATOM 236 CG2 VAL A 18 -5.829 -5.097 10.625 1.00 0.00 C ATOM 0 H VAL A 18 -3.984 -6.863 9.054 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.719 -3.987 9.478 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.231 -6.373 11.233 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.645 -4.761 13.055 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.950 -4.735 12.514 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.065 -3.442 12.011 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -6.460 -5.340 11.480 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.981 -4.054 10.347 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -6.094 -5.739 9.785 1.00 0.00 H new ATOM 246 N GLY A 19 -1.433 -6.121 10.506 1.00 0.00 N ATOM 247 CA GLY A 19 -0.037 -6.234 10.892 1.00 0.00 C ATOM 248 C GLY A 19 0.849 -5.352 10.009 1.00 0.00 C ATOM 249 O GLY A 19 0.694 -5.335 8.789 1.00 0.00 O ATOM 0 H GLY A 19 -1.945 -7.003 10.494 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.080 -5.944 11.936 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.283 -7.273 10.812 1.00 0.00 H new ATOM 253 N GLY A 20 1.757 -4.641 10.661 1.00 0.00 N ATOM 254 CA GLY A 20 2.668 -3.759 9.950 1.00 0.00 C ATOM 255 C GLY A 20 2.391 -2.294 10.294 1.00 0.00 C ATOM 256 O GLY A 20 2.684 -1.401 9.500 1.00 0.00 O ATOM 0 H GLY A 20 1.882 -4.657 11.673 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.697 -4.009 10.208 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.563 -3.910 8.876 1.00 0.00 H new ATOM 260 N VAL A 21 1.832 -2.093 11.477 1.00 0.00 N ATOM 261 CA VAL A 21 1.512 -0.751 11.935 1.00 0.00 C ATOM 262 C VAL A 21 2.658 0.194 11.569 1.00 0.00 C ATOM 263 O VAL A 21 2.430 1.258 10.994 1.00 0.00 O ATOM 264 CB VAL A 21 1.209 -0.769 13.435 1.00 0.00 C ATOM 265 CG1 VAL A 21 -0.264 -1.096 13.692 1.00 0.00 C ATOM 266 CG2 VAL A 21 2.125 -1.750 14.168 1.00 0.00 C ATOM 0 H VAL A 21 1.592 -2.836 12.133 1.00 0.00 H new ATOM 0 HA VAL A 21 0.614 -0.382 11.439 1.00 0.00 H new ATOM 0 HB VAL A 21 1.405 0.228 13.829 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.453 -1.103 14.765 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.892 -0.342 13.217 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.497 -2.076 13.276 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.888 -1.743 15.232 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.976 -2.754 13.770 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.164 -1.453 14.025 1.00 0.00 H new ATOM 276 N VAL A 22 3.865 -0.227 11.916 1.00 0.00 N ATOM 277 CA VAL A 22 5.047 0.569 11.631 1.00 0.00 C ATOM 278 C VAL A 22 5.016 1.012 10.167 1.00 0.00 C ATOM 279 O VAL A 22 5.141 2.200 9.871 1.00 0.00 O ATOM 280 CB VAL A 22 6.308 -0.219 11.991 1.00 0.00 C ATOM 281 CG1 VAL A 22 6.349 -0.535 13.487 1.00 0.00 C ATOM 282 CG2 VAL A 22 6.412 -1.498 11.157 1.00 0.00 C ATOM 0 H VAL A 22 4.050 -1.110 12.392 1.00 0.00 H new ATOM 0 HA VAL A 22 5.058 1.470 12.244 1.00 0.00 H new ATOM 0 HB VAL A 22 7.171 0.405 11.757 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.255 -1.096 13.716 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.344 0.395 14.056 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.477 -1.130 13.757 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.317 -2.039 11.432 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.542 -2.127 11.345 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.452 -1.240 10.099 1.00 0.00 H new ATOM 292 N ALA A 23 4.849 0.034 9.289 1.00 0.00 N ATOM 293 CA ALA A 23 4.801 0.308 7.863 1.00 0.00 C ATOM 294 C ALA A 23 3.719 1.354 7.586 1.00 0.00 C ATOM 295 O ALA A 23 3.884 2.207 6.715 1.00 0.00 O ATOM 296 CB ALA A 23 4.560 -0.996 7.100 1.00 0.00 C ATOM 0 H ALA A 23 4.745 -0.950 9.538 1.00 0.00 H new ATOM 0 HA ALA A 23 5.751 0.716 7.518 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.524 -0.790 6.030 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.371 -1.694 7.308 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.613 -1.434 7.417 1.00 0.00 H new ATOM 302 N VAL A 24 2.636 1.254 8.343 1.00 0.00 N ATOM 303 CA VAL A 24 1.528 2.181 8.190 1.00 0.00 C ATOM 304 C VAL A 24 1.957 3.567 8.675 1.00 0.00 C ATOM 305 O VAL A 24 1.496 4.581 8.154 1.00 0.00 O ATOM 306 CB VAL A 24 0.294 1.647 8.921 1.00 0.00 C ATOM 307 CG1 VAL A 24 -0.902 2.582 8.733 1.00 0.00 C ATOM 308 CG2 VAL A 24 -0.043 0.227 8.461 1.00 0.00 C ATOM 0 H VAL A 24 2.502 0.545 9.064 1.00 0.00 H new ATOM 0 HA VAL A 24 1.252 2.276 7.140 1.00 0.00 H new ATOM 0 HB VAL A 24 0.525 1.609 9.986 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.765 2.179 9.262 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.660 3.567 9.131 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.134 2.667 7.671 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.924 -0.129 8.996 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.245 0.230 7.390 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.799 -0.433 8.669 1.00 0.00 H new ATOM 318 N GLY A 25 2.833 3.566 9.668 1.00 0.00 N ATOM 319 CA GLY A 25 3.330 4.811 10.230 1.00 0.00 C ATOM 320 C GLY A 25 4.237 5.538 9.236 1.00 0.00 C ATOM 321 O GLY A 25 4.079 6.736 9.006 1.00 0.00 O ATOM 0 H GLY A 25 3.212 2.723 10.099 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.491 5.453 10.499 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.881 4.605 11.148 1.00 0.00 H new ATOM 325 N THR A 26 5.169 4.782 8.672 1.00 0.00 N ATOM 326 CA THR A 26 6.102 5.339 7.708 1.00 0.00 C ATOM 327 C THR A 26 5.351 5.882 6.491 1.00 0.00 C ATOM 328 O THR A 26 5.629 6.986 6.026 1.00 0.00 O ATOM 329 CB THR A 26 7.124 4.256 7.358 1.00 0.00 C ATOM 330 OG1 THR A 26 8.015 4.247 8.470 1.00 0.00 O ATOM 331 CG2 THR A 26 8.010 4.647 6.174 1.00 0.00 C ATOM 0 H THR A 26 5.297 3.789 8.865 1.00 0.00 H new ATOM 0 HA THR A 26 6.640 6.190 8.125 1.00 0.00 H new ATOM 0 HB THR A 26 6.603 3.326 7.130 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.710 3.571 8.327 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.717 3.844 5.968 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.388 4.818 5.295 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.557 5.559 6.414 1.00 0.00 H new ATOM 339 N VAL A 27 4.413 5.079 6.008 1.00 0.00 N ATOM 340 CA VAL A 27 3.619 5.465 4.854 1.00 0.00 C ATOM 341 C VAL A 27 2.845 6.744 5.177 1.00 0.00 C ATOM 342 O VAL A 27 2.771 7.654 4.352 1.00 0.00 O ATOM 343 CB VAL A 27 2.712 4.307 4.433 1.00 0.00 C ATOM 344 CG1 VAL A 27 1.783 4.726 3.292 1.00 0.00 C ATOM 345 CG2 VAL A 27 3.536 3.077 4.045 1.00 0.00 C ATOM 0 H VAL A 27 4.186 4.163 6.395 1.00 0.00 H new ATOM 0 HA VAL A 27 4.263 5.682 4.002 1.00 0.00 H new ATOM 0 HB VAL A 27 2.093 4.039 5.289 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.149 3.885 3.012 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.159 5.558 3.618 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.378 5.034 2.432 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.867 2.269 3.750 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.192 3.327 3.212 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.137 2.758 4.897 1.00 0.00 H new ATOM 355 N LEU A 28 2.288 6.773 6.378 1.00 0.00 N ATOM 356 CA LEU A 28 1.523 7.927 6.820 1.00 0.00 C ATOM 357 C LEU A 28 2.449 9.140 6.921 1.00 0.00 C ATOM 358 O LEU A 28 2.359 10.063 6.113 1.00 0.00 O ATOM 359 CB LEU A 28 0.779 7.610 8.120 1.00 0.00 C ATOM 360 CG LEU A 28 -0.730 7.391 7.993 1.00 0.00 C ATOM 361 CD1 LEU A 28 -1.035 6.027 7.371 1.00 0.00 C ATOM 362 CD2 LEU A 28 -1.425 7.575 9.343 1.00 0.00 C ATOM 0 H LEU A 28 2.351 6.016 7.059 1.00 0.00 H new ATOM 0 HA LEU A 28 0.752 8.175 6.091 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.220 6.715 8.559 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.950 8.427 8.821 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.131 8.148 7.319 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.114 5.896 7.292 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.589 5.972 6.378 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.619 5.239 7.999 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.497 7.414 9.225 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.026 6.856 10.059 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.248 8.587 9.708 1.00 0.00 H new ATOM 374 N VAL A 29 3.317 9.100 7.921 1.00 0.00 N ATOM 375 CA VAL A 29 4.259 10.185 8.139 1.00 0.00 C ATOM 376 C VAL A 29 4.814 10.650 6.791 1.00 0.00 C ATOM 377 O VAL A 29 5.137 11.825 6.620 1.00 0.00 O ATOM 378 CB VAL A 29 5.351 9.743 9.115 1.00 0.00 C ATOM 379 CG1 VAL A 29 6.256 8.684 8.481 1.00 0.00 C ATOM 380 CG2 VAL A 29 6.167 10.941 9.604 1.00 0.00 C ATOM 0 H VAL A 29 3.388 8.333 8.590 1.00 0.00 H new ATOM 0 HA VAL A 29 3.759 11.038 8.597 1.00 0.00 H new ATOM 0 HB VAL A 29 4.865 9.294 9.981 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.024 8.387 9.195 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.660 7.814 8.206 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.729 9.096 7.590 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.936 10.599 10.296 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.638 11.433 8.753 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.509 11.646 10.112 1.00 0.00 H new ATOM 390 N ALA A 30 4.908 9.704 5.868 1.00 0.00 N ATOM 391 CA ALA A 30 5.419 10.003 4.541 1.00 0.00 C ATOM 392 C ALA A 30 4.476 10.987 3.845 1.00 0.00 C ATOM 393 O ALA A 30 4.852 12.127 3.576 1.00 0.00 O ATOM 394 CB ALA A 30 5.587 8.701 3.754 1.00 0.00 C ATOM 0 H ALA A 30 4.639 8.731 6.013 1.00 0.00 H new ATOM 0 HA ALA A 30 6.399 10.475 4.605 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.970 8.925 2.758 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.288 8.049 4.275 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.622 8.201 3.668 1.00 0.00 H new ATOM 400 N LEU A 31 3.270 10.510 3.575 1.00 0.00 N ATOM 401 CA LEU A 31 2.271 11.334 2.916 1.00 0.00 C ATOM 402 C LEU A 31 1.960 12.549 3.792 1.00 0.00 C ATOM 403 O LEU A 31 2.243 13.684 3.410 1.00 0.00 O ATOM 404 CB LEU A 31 1.038 10.500 2.561 1.00 0.00 C ATOM 405 CG LEU A 31 0.449 10.733 1.168 1.00 0.00 C ATOM 406 CD1 LEU A 31 0.116 9.405 0.485 1.00 0.00 C ATOM 407 CD2 LEU A 31 -0.763 11.664 1.233 1.00 0.00 C ATOM 0 H LEU A 31 2.962 9.564 3.800 1.00 0.00 H new ATOM 0 HA LEU A 31 2.654 11.713 1.969 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.299 9.446 2.652 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.263 10.701 3.300 1.00 0.00 H new ATOM 0 HG LEU A 31 1.203 11.229 0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.301 9.599 -0.503 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.023 8.809 0.386 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.612 8.860 1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.162 11.813 0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.530 11.219 1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.462 12.625 1.650 1.00 0.00 H new ATOM 419 N SER A 32 1.380 12.271 4.950 1.00 0.00 N ATOM 420 CA SER A 32 1.027 13.327 5.884 1.00 0.00 C ATOM 421 C SER A 32 2.203 14.291 6.051 1.00 0.00 C ATOM 422 O SER A 32 2.099 15.468 5.708 1.00 0.00 O ATOM 423 CB SER A 32 0.617 12.749 7.240 1.00 0.00 C ATOM 424 OG SER A 32 -0.534 13.400 7.771 1.00 0.00 O ATOM 0 H SER A 32 1.145 11.329 5.263 1.00 0.00 H new ATOM 0 HA SER A 32 0.174 13.871 5.479 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.414 11.683 7.134 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.445 12.847 7.942 1.00 0.00 H new ATOM 0 HG SER A 32 -0.765 13.002 8.636 1.00 0.00 H new ATOM 430 N ALA A 33 3.295 13.757 6.579 1.00 0.00 N ATOM 431 CA ALA A 33 4.489 14.556 6.797 1.00 0.00 C ATOM 432 C ALA A 33 5.356 14.523 5.536 1.00 0.00 C ATOM 433 O ALA A 33 6.483 14.032 5.567 1.00 0.00 O ATOM 434 CB ALA A 33 5.232 14.039 8.030 1.00 0.00 C ATOM 0 H ALA A 33 3.378 12.781 6.862 1.00 0.00 H new ATOM 0 HA ALA A 33 4.225 15.596 6.989 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.128 14.639 8.193 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.583 14.111 8.903 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.516 12.998 7.874 1.00 0.00 H new ATOM 440 N MET A 34 4.797 15.052 4.458 1.00 0.00 N ATOM 441 CA MET A 34 5.505 15.090 3.190 1.00 0.00 C ATOM 442 C MET A 34 6.720 16.016 3.267 1.00 0.00 C ATOM 443 O MET A 34 7.802 15.667 2.798 1.00 0.00 O ATOM 444 CB MET A 34 4.559 15.578 2.091 1.00 0.00 C ATOM 445 CG MET A 34 5.159 15.337 0.704 1.00 0.00 C ATOM 446 SD MET A 34 4.749 16.694 -0.382 1.00 0.00 S ATOM 447 CE MET A 34 3.928 15.803 -1.693 1.00 0.00 C ATOM 0 H MET A 34 3.862 15.458 4.436 1.00 0.00 H new ATOM 0 HA MET A 34 5.854 14.083 2.960 1.00 0.00 H new ATOM 0 HB2 MET A 34 3.603 15.060 2.173 1.00 0.00 H new ATOM 0 HB3 MET A 34 4.358 16.641 2.225 1.00 0.00 H new ATOM 0 HG2 MET A 34 6.242 15.235 0.780 1.00 0.00 H new ATOM 0 HG3 MET A 34 4.779 14.402 0.291 1.00 0.00 H new ATOM 0 HE1 MET A 34 3.604 16.504 -2.462 1.00 0.00 H new ATOM 0 HE2 MET A 34 4.617 15.080 -2.128 1.00 0.00 H new ATOM 0 HE3 MET A 34 3.060 15.280 -1.290 1.00 0.00 H new ATOM 457 N GLY A 35 6.500 17.179 3.862 1.00 0.00 N ATOM 458 CA GLY A 35 7.563 18.159 4.007 1.00 0.00 C ATOM 459 C GLY A 35 7.485 18.857 5.366 1.00 0.00 C ATOM 460 O GLY A 35 7.645 20.073 5.454 1.00 0.00 O ATOM 0 H GLY A 35 5.601 17.465 4.250 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.531 17.669 3.901 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.491 18.899 3.210 1.00 0.00 H new ATOM 464 N PHE A 36 7.238 18.056 6.393 1.00 0.00 N ATOM 465 CA PHE A 36 7.136 18.582 7.744 1.00 0.00 C ATOM 466 C PHE A 36 5.983 19.581 7.858 1.00 0.00 C ATOM 467 O PHE A 36 6.145 20.658 8.431 1.00 0.00 O ATOM 468 CB PHE A 36 8.452 19.303 8.044 1.00 0.00 C ATOM 469 CG PHE A 36 8.875 19.241 9.513 1.00 0.00 C ATOM 470 CD1 PHE A 36 8.376 20.140 10.402 1.00 0.00 C ATOM 471 CD2 PHE A 36 9.749 18.286 9.929 1.00 0.00 C ATOM 472 CE1 PHE A 36 8.768 20.083 11.766 1.00 0.00 C ATOM 473 CE2 PHE A 36 10.141 18.228 11.293 1.00 0.00 C ATOM 474 CZ PHE A 36 9.643 19.128 12.182 1.00 0.00 C ATOM 0 H PHE A 36 7.106 17.048 6.317 1.00 0.00 H new ATOM 0 HA PHE A 36 6.948 17.770 8.446 1.00 0.00 H new ATOM 0 HB2 PHE A 36 9.241 18.867 7.431 1.00 0.00 H new ATOM 0 HB3 PHE A 36 8.358 20.348 7.748 1.00 0.00 H new ATOM 0 HD1 PHE A 36 7.681 20.898 10.071 1.00 0.00 H new ATOM 0 HD2 PHE A 36 10.145 17.572 9.222 1.00 0.00 H new ATOM 0 HE1 PHE A 36 8.372 20.797 12.472 1.00 0.00 H new ATOM 0 HE2 PHE A 36 10.835 17.469 11.624 1.00 0.00 H new ATOM 0 HZ PHE A 36 9.942 19.085 13.219 1.00 0.00 H new ATOM 484 N THR A 37 4.846 19.190 7.303 1.00 0.00 N ATOM 485 CA THR A 37 3.666 20.038 7.336 1.00 0.00 C ATOM 486 C THR A 37 2.396 19.185 7.341 1.00 0.00 C ATOM 487 O THR A 37 2.188 18.370 6.444 1.00 0.00 O ATOM 488 CB THR A 37 3.745 21.003 6.151 1.00 0.00 C ATOM 489 OG1 THR A 37 4.216 20.195 5.076 1.00 0.00 O ATOM 490 CG2 THR A 37 4.838 22.060 6.329 1.00 0.00 C ATOM 0 H THR A 37 4.716 18.297 6.828 1.00 0.00 H new ATOM 0 HA THR A 37 3.628 20.627 8.252 1.00 0.00 H new ATOM 0 HB THR A 37 2.781 21.495 6.019 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.719 19.350 5.060 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.852 22.719 5.461 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.635 22.645 7.226 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.806 21.569 6.427 1.00 0.00 H new ATOM 498 N SER A 38 1.580 19.402 8.362 1.00 0.00 N ATOM 499 CA SER A 38 0.336 18.664 8.496 1.00 0.00 C ATOM 500 C SER A 38 -0.193 18.785 9.926 1.00 0.00 C ATOM 501 O SER A 38 -1.401 18.726 10.152 1.00 0.00 O ATOM 502 CB SER A 38 0.526 17.192 8.123 1.00 0.00 C ATOM 503 OG SER A 38 1.800 16.699 8.529 1.00 0.00 O ATOM 0 H SER A 38 1.756 20.079 9.104 1.00 0.00 H new ATOM 0 HA SER A 38 -0.392 19.094 7.809 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.259 16.596 8.589 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.418 17.074 7.045 1.00 0.00 H new ATOM 0 HG SER A 38 1.824 15.725 8.421 1.00 0.00 H new ATOM 509 N VAL A 39 0.737 18.952 10.855 1.00 0.00 N ATOM 510 CA VAL A 39 0.379 19.082 12.257 1.00 0.00 C ATOM 511 C VAL A 39 -0.714 20.142 12.404 1.00 0.00 C ATOM 512 O VAL A 39 -1.890 19.810 12.550 1.00 0.00 O ATOM 513 CB VAL A 39 1.626 19.390 13.089 1.00 0.00 C ATOM 514 CG1 VAL A 39 2.558 20.347 12.345 1.00 0.00 C ATOM 515 CG2 VAL A 39 1.245 19.950 14.461 1.00 0.00 C ATOM 0 H VAL A 39 1.738 19.000 10.664 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.025 18.144 12.636 1.00 0.00 H new ATOM 0 HB VAL A 39 2.163 18.455 13.247 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.436 20.550 12.958 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.869 19.894 11.404 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.034 21.281 12.142 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.149 20.160 15.032 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.675 20.870 14.333 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.639 19.219 14.997 1.00 0.00 H new ATOM 525 N GLY A 40 -0.288 21.395 12.361 1.00 0.00 N ATOM 526 CA GLY A 40 -1.217 22.506 12.488 1.00 0.00 C ATOM 527 C GLY A 40 -2.522 22.217 11.743 1.00 0.00 C ATOM 528 O GLY A 40 -3.592 22.185 12.348 1.00 0.00 O ATOM 0 H GLY A 40 0.688 21.666 12.240 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.428 22.689 13.541 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.761 23.413 12.092 1.00 0.00 H new ATOM 532 N ILE A 41 -2.390 22.015 10.440 1.00 0.00 N ATOM 533 CA ILE A 41 -3.545 21.730 9.607 1.00 0.00 C ATOM 534 C ILE A 41 -4.445 20.718 10.318 1.00 0.00 C ATOM 535 O ILE A 41 -5.657 20.911 10.403 1.00 0.00 O ATOM 536 CB ILE A 41 -3.103 21.285 8.211 1.00 0.00 C ATOM 537 CG1 ILE A 41 -2.295 22.384 7.516 1.00 0.00 C ATOM 538 CG2 ILE A 41 -4.301 20.838 7.372 1.00 0.00 C ATOM 539 CD1 ILE A 41 -1.286 21.784 6.535 1.00 0.00 C ATOM 0 H ILE A 41 -1.501 22.043 9.941 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.137 22.633 9.456 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.447 20.421 8.320 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.969 23.056 6.985 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.771 22.982 8.262 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.958 20.527 6.385 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.798 20.002 7.864 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.002 21.666 7.268 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.725 22.585 6.055 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.598 21.132 7.074 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.815 21.206 5.777 1.00 0.00 H new ATOM 551 N ALA A 42 -3.817 19.660 10.811 1.00 0.00 N ATOM 552 CA ALA A 42 -4.546 18.617 11.512 1.00 0.00 C ATOM 553 C ALA A 42 -5.362 19.243 12.644 1.00 0.00 C ATOM 554 O ALA A 42 -6.543 18.941 12.803 1.00 0.00 O ATOM 555 CB ALA A 42 -3.563 17.559 12.018 1.00 0.00 C ATOM 0 H ALA A 42 -2.812 19.503 10.739 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.244 18.119 10.839 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.110 16.776 12.544 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.030 17.124 11.173 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.848 18.022 12.698 1.00 0.00 H new ATOM 561 N ALA A 43 -4.699 20.105 13.402 1.00 0.00 N ATOM 562 CA ALA A 43 -5.348 20.777 14.515 1.00 0.00 C ATOM 563 C ALA A 43 -6.521 21.606 13.990 1.00 0.00 C ATOM 564 O ALA A 43 -7.505 21.815 14.698 1.00 0.00 O ATOM 565 CB ALA A 43 -4.322 21.627 15.266 1.00 0.00 C ATOM 0 H ALA A 43 -3.719 20.353 13.267 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.749 20.050 15.222 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.809 22.131 16.101 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.525 20.986 15.644 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.900 22.370 14.589 1.00 0.00 H new ATOM 571 N SER A 44 -6.378 22.057 12.752 1.00 0.00 N ATOM 572 CA SER A 44 -7.414 22.860 12.124 1.00 0.00 C ATOM 573 C SER A 44 -8.588 21.969 11.713 1.00 0.00 C ATOM 574 O SER A 44 -9.673 22.063 12.284 1.00 0.00 O ATOM 575 CB SER A 44 -6.867 23.612 10.909 1.00 0.00 C ATOM 576 OG SER A 44 -7.019 25.023 11.043 1.00 0.00 O ATOM 0 H SER A 44 -5.561 21.882 12.167 1.00 0.00 H new ATOM 0 HA SER A 44 -7.761 23.598 12.847 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.812 23.372 10.778 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.384 23.275 10.011 1.00 0.00 H new ATOM 0 HG SER A 44 -6.657 25.468 10.249 1.00 0.00 H new ATOM 582 N SER A 45 -8.332 21.126 10.724 1.00 0.00 N ATOM 583 CA SER A 45 -9.354 20.220 10.229 1.00 0.00 C ATOM 584 C SER A 45 -10.081 19.560 11.402 1.00 0.00 C ATOM 585 O SER A 45 -11.283 19.310 11.331 1.00 0.00 O ATOM 586 CB SER A 45 -8.749 19.154 9.313 1.00 0.00 C ATOM 587 OG SER A 45 -7.961 19.728 8.274 1.00 0.00 O ATOM 0 H SER A 45 -7.431 21.051 10.252 1.00 0.00 H new ATOM 0 HA SER A 45 -10.070 20.799 9.645 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.132 18.476 9.903 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.548 18.557 8.874 1.00 0.00 H new ATOM 0 HG SER A 45 -7.591 19.015 7.712 1.00 0.00 H new ATOM 593 N ILE A 46 -9.321 19.297 12.455 1.00 0.00 N ATOM 594 CA ILE A 46 -9.878 18.671 13.642 1.00 0.00 C ATOM 595 C ILE A 46 -10.846 19.643 14.320 1.00 0.00 C ATOM 596 O ILE A 46 -12.018 19.324 14.514 1.00 0.00 O ATOM 597 CB ILE A 46 -8.760 18.176 14.562 1.00 0.00 C ATOM 598 CG1 ILE A 46 -8.184 16.850 14.060 1.00 0.00 C ATOM 599 CG2 ILE A 46 -9.243 18.080 16.010 1.00 0.00 C ATOM 600 CD1 ILE A 46 -6.837 16.551 14.723 1.00 0.00 C ATOM 0 H ILE A 46 -8.324 19.506 12.511 1.00 0.00 H new ATOM 0 HA ILE A 46 -10.452 17.785 13.371 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.952 18.907 14.541 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -8.885 16.042 14.271 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.060 16.890 12.978 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -8.429 17.726 16.642 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -9.566 19.063 16.352 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -10.078 17.382 16.069 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.450 15.603 14.349 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.132 17.349 14.490 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.969 16.488 15.803 1.00 0.00 H new ATOM 612 N ALA A 47 -10.320 20.810 14.661 1.00 0.00 N ATOM 613 CA ALA A 47 -11.122 21.831 15.312 1.00 0.00 C ATOM 614 C ALA A 47 -12.416 22.039 14.522 1.00 0.00 C ATOM 615 O ALA A 47 -13.510 21.878 15.061 1.00 0.00 O ATOM 616 CB ALA A 47 -10.305 23.118 15.441 1.00 0.00 C ATOM 0 H ALA A 47 -9.347 21.071 14.498 1.00 0.00 H new ATOM 0 HA ALA A 47 -11.397 21.517 16.319 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -10.907 23.884 15.930 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.412 22.924 16.036 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.012 23.464 14.450 1.00 0.00 H new ATOM 622 N ALA A 48 -12.248 22.392 13.256 1.00 0.00 N ATOM 623 CA ALA A 48 -13.388 22.623 12.386 1.00 0.00 C ATOM 624 C ALA A 48 -14.446 21.547 12.642 1.00 0.00 C ATOM 625 O ALA A 48 -15.609 21.861 12.887 1.00 0.00 O ATOM 626 CB ALA A 48 -12.922 22.647 10.929 1.00 0.00 C ATOM 0 H ALA A 48 -11.339 22.524 12.812 1.00 0.00 H new ATOM 0 HA ALA A 48 -13.843 23.590 12.599 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -13.778 22.820 10.276 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -12.194 23.447 10.793 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -12.462 21.691 10.678 1.00 0.00 H new ATOM 632 N LYS A 49 -14.003 20.300 12.576 1.00 0.00 N ATOM 633 CA LYS A 49 -14.897 19.176 12.797 1.00 0.00 C ATOM 634 C LYS A 49 -15.894 19.086 11.640 1.00 0.00 C ATOM 635 O LYS A 49 -17.099 19.227 11.842 1.00 0.00 O ATOM 636 CB LYS A 49 -15.559 19.281 14.173 1.00 0.00 C ATOM 637 CG LYS A 49 -15.037 18.196 15.117 1.00 0.00 C ATOM 638 CD LYS A 49 -15.854 18.155 16.410 1.00 0.00 C ATOM 639 CE LYS A 49 -15.233 17.189 17.421 1.00 0.00 C ATOM 640 NZ LYS A 49 -15.607 17.572 18.800 1.00 0.00 N ATOM 0 H LYS A 49 -13.037 20.043 12.373 1.00 0.00 H new ATOM 0 HA LYS A 49 -14.337 18.241 12.808 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -15.364 20.265 14.600 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -16.640 19.188 14.068 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -15.083 17.226 14.623 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.989 18.385 15.350 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -15.908 19.154 16.842 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -16.876 17.848 16.189 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -15.569 16.173 17.216 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -14.148 17.193 17.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -15.177 16.906 19.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -15.265 18.534 18.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -16.642 17.545 18.899 1.00 0.00 H new ATOM 823 N ALA A 64 -10.976 11.789 -3.658 1.00 0.00 N ATOM 824 CA ALA A 64 -10.653 13.205 -3.640 1.00 0.00 C ATOM 825 C ALA A 64 -10.163 13.630 -5.026 1.00 0.00 C ATOM 826 O ALA A 64 -10.866 14.337 -5.747 1.00 0.00 O ATOM 827 CB ALA A 64 -9.619 13.480 -2.547 1.00 0.00 C ATOM 0 HA ALA A 64 -11.538 13.797 -3.407 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.377 14.543 -2.534 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.027 13.189 -1.579 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.715 12.905 -2.748 1.00 0.00 H new ATOM 833 N GLY A 65 -8.962 13.181 -5.357 1.00 0.00 N ATOM 834 CA GLY A 65 -8.370 13.505 -6.644 1.00 0.00 C ATOM 835 C GLY A 65 -6.898 13.091 -6.690 1.00 0.00 C ATOM 836 O GLY A 65 -6.568 12.009 -7.173 1.00 0.00 O ATOM 0 H GLY A 65 -8.382 12.595 -4.756 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.919 12.999 -7.438 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.456 14.576 -6.829 1.00 0.00 H new ATOM 840 N SER A 66 -6.051 13.975 -6.182 1.00 0.00 N ATOM 841 CA SER A 66 -4.622 13.715 -6.159 1.00 0.00 C ATOM 842 C SER A 66 -4.352 12.322 -5.585 1.00 0.00 C ATOM 843 O SER A 66 -3.579 11.552 -6.153 1.00 0.00 O ATOM 844 CB SER A 66 -3.882 14.777 -5.344 1.00 0.00 C ATOM 845 OG SER A 66 -2.595 15.064 -5.884 1.00 0.00 O ATOM 0 H SER A 66 -6.328 14.872 -5.783 1.00 0.00 H new ATOM 0 HA SER A 66 -4.251 13.757 -7.183 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.475 15.691 -5.316 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.775 14.435 -4.315 1.00 0.00 H new ATOM 0 HG SER A 66 -2.156 15.748 -5.336 1.00 0.00 H new ATOM 851 N LEU A 67 -5.005 12.042 -4.467 1.00 0.00 N ATOM 852 CA LEU A 67 -4.846 10.755 -3.810 1.00 0.00 C ATOM 853 C LEU A 67 -5.020 9.637 -4.839 1.00 0.00 C ATOM 854 O LEU A 67 -4.280 8.654 -4.824 1.00 0.00 O ATOM 855 CB LEU A 67 -5.793 10.643 -2.614 1.00 0.00 C ATOM 856 CG LEU A 67 -5.180 10.934 -1.243 1.00 0.00 C ATOM 857 CD1 LEU A 67 -5.639 12.295 -0.714 1.00 0.00 C ATOM 858 CD2 LEU A 67 -5.482 9.805 -0.256 1.00 0.00 C ATOM 0 H LEU A 67 -5.645 12.684 -3.999 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.840 10.658 -3.401 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.626 11.328 -2.770 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.208 9.635 -2.598 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.097 10.981 -1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.189 12.477 0.262 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.331 13.078 -1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.725 12.301 -0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.035 10.037 0.710 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.561 9.701 -0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.066 8.871 -0.633 1.00 0.00 H new ATOM 870 N VAL A 68 -6.002 9.824 -5.709 1.00 0.00 N ATOM 871 CA VAL A 68 -6.282 8.843 -6.743 1.00 0.00 C ATOM 872 C VAL A 68 -4.980 8.477 -7.459 1.00 0.00 C ATOM 873 O VAL A 68 -4.702 7.300 -7.684 1.00 0.00 O ATOM 874 CB VAL A 68 -7.357 9.376 -7.693 1.00 0.00 C ATOM 875 CG1 VAL A 68 -7.847 8.278 -8.638 1.00 0.00 C ATOM 876 CG2 VAL A 68 -8.521 9.990 -6.913 1.00 0.00 C ATOM 0 H VAL A 68 -6.613 10.640 -5.719 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.680 7.928 -6.304 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.909 10.163 -8.300 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.610 8.683 -9.302 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.010 7.908 -9.230 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.270 7.459 -8.056 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.271 10.361 -7.611 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.968 9.232 -6.269 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.155 10.815 -6.302 1.00 0.00 H new ATOM 886 N ALA A 69 -4.218 9.506 -7.797 1.00 0.00 N ATOM 887 CA ALA A 69 -2.952 9.307 -8.482 1.00 0.00 C ATOM 888 C ALA A 69 -1.992 8.551 -7.562 1.00 0.00 C ATOM 889 O ALA A 69 -1.195 7.737 -8.025 1.00 0.00 O ATOM 890 CB ALA A 69 -2.392 10.661 -8.924 1.00 0.00 C ATOM 0 H ALA A 69 -4.453 10.481 -7.609 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.092 8.704 -9.379 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.442 10.512 -9.438 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.098 11.144 -9.600 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.236 11.293 -8.050 1.00 0.00 H new ATOM 896 N ILE A 70 -2.100 8.848 -6.275 1.00 0.00 N ATOM 897 CA ILE A 70 -1.251 8.207 -5.286 1.00 0.00 C ATOM 898 C ILE A 70 -1.538 6.704 -5.271 1.00 0.00 C ATOM 899 O ILE A 70 -0.644 5.895 -5.517 1.00 0.00 O ATOM 900 CB ILE A 70 -1.417 8.878 -3.921 1.00 0.00 C ATOM 901 CG1 ILE A 70 -1.130 10.378 -4.009 1.00 0.00 C ATOM 902 CG2 ILE A 70 -0.553 8.190 -2.862 1.00 0.00 C ATOM 903 CD1 ILE A 70 0.100 10.651 -4.877 1.00 0.00 C ATOM 0 H ILE A 70 -2.763 9.524 -5.895 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.200 8.329 -5.550 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.456 8.767 -3.610 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.995 10.894 -4.426 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.970 10.781 -3.009 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.690 8.687 -1.902 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.848 7.144 -2.775 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.496 8.248 -3.154 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.282 11.725 -4.923 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.968 10.154 -4.444 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.073 10.269 -5.883 1.00 0.00 H new ATOM 915 N LEU A 71 -2.788 6.376 -4.980 1.00 0.00 N ATOM 916 CA LEU A 71 -3.204 4.984 -4.930 1.00 0.00 C ATOM 917 C LEU A 71 -2.846 4.302 -6.252 1.00 0.00 C ATOM 918 O LEU A 71 -2.516 3.117 -6.273 1.00 0.00 O ATOM 919 CB LEU A 71 -4.686 4.881 -4.566 1.00 0.00 C ATOM 920 CG LEU A 71 -5.145 3.536 -4.000 1.00 0.00 C ATOM 921 CD1 LEU A 71 -6.451 3.687 -3.217 1.00 0.00 C ATOM 922 CD2 LEU A 71 -5.260 2.485 -5.106 1.00 0.00 C ATOM 0 H LEU A 71 -3.526 7.050 -4.776 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.669 4.454 -4.142 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.915 5.657 -3.836 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.275 5.098 -5.457 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.387 3.185 -3.299 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.755 2.716 -2.826 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.301 4.381 -2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.229 4.072 -3.877 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.588 1.539 -4.676 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.985 2.817 -5.849 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.289 2.350 -5.582 1.00 0.00 H new ATOM 934 N GLN A 72 -2.922 5.079 -7.322 1.00 0.00 N ATOM 935 CA GLN A 72 -2.611 4.564 -8.644 1.00 0.00 C ATOM 936 C GLN A 72 -1.179 4.025 -8.680 1.00 0.00 C ATOM 937 O GLN A 72 -0.969 2.816 -8.773 1.00 0.00 O ATOM 938 CB GLN A 72 -2.819 5.638 -9.714 1.00 0.00 C ATOM 939 CG GLN A 72 -3.798 5.159 -10.788 1.00 0.00 C ATOM 940 CD GLN A 72 -4.269 6.325 -11.660 1.00 0.00 C ATOM 941 OE1 GLN A 72 -3.505 7.197 -12.040 1.00 0.00 O ATOM 942 NE2 GLN A 72 -5.566 6.292 -11.953 1.00 0.00 N ATOM 0 H GLN A 72 -3.195 6.062 -7.300 1.00 0.00 H new ATOM 0 HA GLN A 72 -3.294 3.743 -8.863 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.198 6.549 -9.251 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.863 5.888 -10.174 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -3.319 4.404 -11.412 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -4.657 4.683 -10.316 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.149 5.532 -11.602 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -5.978 7.026 -12.529 1.00 0.00 H new ATOM 951 N SER A 73 -0.231 4.948 -8.605 1.00 0.00 N ATOM 952 CA SER A 73 1.174 4.580 -8.628 1.00 0.00 C ATOM 953 C SER A 73 1.517 3.747 -7.392 1.00 0.00 C ATOM 954 O SER A 73 1.827 2.562 -7.504 1.00 0.00 O ATOM 955 CB SER A 73 2.067 5.821 -8.696 1.00 0.00 C ATOM 956 OG SER A 73 3.265 5.577 -9.428 1.00 0.00 O ATOM 0 H SER A 73 -0.409 5.949 -8.528 1.00 0.00 H new ATOM 0 HA SER A 73 1.357 3.984 -9.522 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.517 6.638 -9.163 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.319 6.142 -7.685 1.00 0.00 H new ATOM 0 HG SER A 73 3.807 6.393 -9.450 1.00 0.00 H new ATOM 962 N VAL A 74 1.450 4.399 -6.240 1.00 0.00 N ATOM 963 CA VAL A 74 1.750 3.733 -4.985 1.00 0.00 C ATOM 964 C VAL A 74 1.156 2.323 -5.005 1.00 0.00 C ATOM 965 O VAL A 74 1.774 1.378 -4.518 1.00 0.00 O ATOM 966 CB VAL A 74 1.247 4.576 -3.811 1.00 0.00 C ATOM 967 CG1 VAL A 74 1.560 3.900 -2.475 1.00 0.00 C ATOM 968 CG2 VAL A 74 1.832 5.989 -3.861 1.00 0.00 C ATOM 0 H VAL A 74 1.192 5.382 -6.150 1.00 0.00 H new ATOM 0 HA VAL A 74 2.828 3.630 -4.856 1.00 0.00 H new ATOM 0 HB VAL A 74 0.164 4.658 -3.898 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.192 4.521 -1.658 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.074 2.925 -2.438 1.00 0.00 H new ATOM 0 HG13 VAL A 74 2.638 3.772 -2.376 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.459 6.567 -3.016 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.920 5.935 -3.812 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.535 6.473 -4.791 1.00 0.00 H new ATOM 978 N GLY A 75 -0.036 2.226 -5.575 1.00 0.00 N ATOM 979 CA GLY A 75 -0.721 0.948 -5.666 1.00 0.00 C ATOM 980 C GLY A 75 0.096 -0.055 -6.484 1.00 0.00 C ATOM 981 O GLY A 75 0.554 -1.067 -5.955 1.00 0.00 O ATOM 0 H GLY A 75 -0.545 3.012 -5.979 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.894 0.552 -4.665 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.699 1.087 -6.127 1.00 0.00 H new ATOM 985 N ALA A 76 0.255 0.262 -7.761 1.00 0.00 N ATOM 986 CA ALA A 76 1.009 -0.599 -8.657 1.00 0.00 C ATOM 987 C ALA A 76 2.423 -0.789 -8.104 1.00 0.00 C ATOM 988 O ALA A 76 2.794 -1.892 -7.707 1.00 0.00 O ATOM 989 CB ALA A 76 1.008 0.003 -10.063 1.00 0.00 C ATOM 0 H ALA A 76 -0.125 1.103 -8.196 1.00 0.00 H new ATOM 0 HA ALA A 76 0.547 -1.584 -8.724 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.573 -0.642 -10.735 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.018 0.090 -10.421 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.468 0.991 -10.036 1.00 0.00 H new ATOM 995 N ALA A 77 3.173 0.303 -8.097 1.00 0.00 N ATOM 996 CA ALA A 77 4.538 0.270 -7.600 1.00 0.00 C ATOM 997 C ALA A 77 4.586 -0.550 -6.310 1.00 0.00 C ATOM 998 O ALA A 77 5.179 -1.628 -6.277 1.00 0.00 O ATOM 999 CB ALA A 77 5.044 1.700 -7.401 1.00 0.00 C ATOM 0 H ALA A 77 2.861 1.216 -8.428 1.00 0.00 H new ATOM 0 HA ALA A 77 5.198 -0.211 -8.322 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.068 1.675 -7.028 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.017 2.231 -8.352 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.408 2.214 -6.680 1.00 0.00 H new ATOM 1005 N GLY A 78 3.956 -0.009 -5.278 1.00 0.00 N ATOM 1006 CA GLY A 78 3.920 -0.677 -3.988 1.00 0.00 C ATOM 1007 C GLY A 78 3.761 -2.189 -4.159 1.00 0.00 C ATOM 1008 O GLY A 78 4.703 -2.946 -3.929 1.00 0.00 O ATOM 0 H GLY A 78 3.466 0.885 -5.309 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.837 -0.464 -3.438 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.094 -0.285 -3.394 1.00 0.00 H new ATOM 1012 N LEU A 79 2.561 -2.584 -4.560 1.00 0.00 N ATOM 1013 CA LEU A 79 2.266 -3.992 -4.764 1.00 0.00 C ATOM 1014 C LEU A 79 3.427 -4.649 -5.514 1.00 0.00 C ATOM 1015 O LEU A 79 3.727 -5.822 -5.296 1.00 0.00 O ATOM 1016 CB LEU A 79 0.913 -4.162 -5.457 1.00 0.00 C ATOM 1017 CG LEU A 79 -0.025 -5.208 -4.850 1.00 0.00 C ATOM 1018 CD1 LEU A 79 -1.457 -5.017 -5.354 1.00 0.00 C ATOM 1019 CD2 LEU A 79 0.491 -6.624 -5.112 1.00 0.00 C ATOM 0 H LEU A 79 1.782 -1.953 -4.749 1.00 0.00 H new ATOM 0 HA LEU A 79 2.174 -4.504 -3.806 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.402 -3.199 -5.454 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.092 -4.425 -6.500 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.042 -5.067 -3.769 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.104 -5.773 -4.908 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.812 -4.025 -5.075 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.477 -5.117 -6.439 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.194 -7.348 -4.670 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.556 -6.795 -6.187 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.479 -6.740 -4.666 1.00 0.00 H new ATOM 1031 N SER A 80 4.049 -3.863 -6.381 1.00 0.00 N ATOM 1032 CA SER A 80 5.171 -4.354 -7.164 1.00 0.00 C ATOM 1033 C SER A 80 6.331 -4.728 -6.239 1.00 0.00 C ATOM 1034 O SER A 80 6.590 -5.909 -6.010 1.00 0.00 O ATOM 1035 CB SER A 80 5.624 -3.312 -8.189 1.00 0.00 C ATOM 1036 OG SER A 80 5.829 -3.885 -9.478 1.00 0.00 O ATOM 0 H SER A 80 3.798 -2.891 -6.558 1.00 0.00 H new ATOM 0 HA SER A 80 4.847 -5.242 -7.707 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.876 -2.522 -8.258 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.549 -2.846 -7.848 1.00 0.00 H new ATOM 0 HG SER A 80 6.116 -3.188 -10.104 1.00 0.00 H new ATOM 1042 N VAL A 81 6.997 -3.701 -5.733 1.00 0.00 N ATOM 1043 CA VAL A 81 8.123 -3.908 -4.839 1.00 0.00 C ATOM 1044 C VAL A 81 7.729 -4.910 -3.752 1.00 0.00 C ATOM 1045 O VAL A 81 8.583 -5.603 -3.201 1.00 0.00 O ATOM 1046 CB VAL A 81 8.595 -2.567 -4.272 1.00 0.00 C ATOM 1047 CG1 VAL A 81 9.621 -2.774 -3.156 1.00 0.00 C ATOM 1048 CG2 VAL A 81 9.160 -1.674 -5.378 1.00 0.00 C ATOM 0 H VAL A 81 6.779 -2.723 -5.925 1.00 0.00 H new ATOM 0 HA VAL A 81 8.968 -4.332 -5.382 1.00 0.00 H new ATOM 0 HB VAL A 81 7.730 -2.062 -3.842 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.940 -1.806 -2.771 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.171 -3.354 -2.351 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.484 -3.310 -3.550 1.00 0.00 H new ATOM 0 HG21 VAL A 81 9.488 -0.727 -4.949 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.007 -2.172 -5.850 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.388 -1.486 -6.124 1.00 0.00 H new ATOM 1058 N THR A 82 6.434 -4.955 -3.476 1.00 0.00 N ATOM 1059 CA THR A 82 5.915 -5.861 -2.464 1.00 0.00 C ATOM 1060 C THR A 82 6.130 -7.315 -2.891 1.00 0.00 C ATOM 1061 O THR A 82 7.095 -7.952 -2.473 1.00 0.00 O ATOM 1062 CB THR A 82 4.446 -5.509 -2.223 1.00 0.00 C ATOM 1063 OG1 THR A 82 4.482 -4.154 -1.783 1.00 0.00 O ATOM 1064 CG2 THR A 82 3.849 -6.269 -1.037 1.00 0.00 C ATOM 0 H THR A 82 5.728 -4.379 -3.935 1.00 0.00 H new ATOM 0 HA THR A 82 6.449 -5.749 -1.521 1.00 0.00 H new ATOM 0 HB THR A 82 3.869 -5.726 -3.122 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.939 -3.604 -2.454 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.805 -5.982 -0.910 1.00 0.00 H new ATOM 0 HG22 THR A 82 3.911 -7.341 -1.224 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.405 -6.026 -0.132 1.00 0.00 H new ATOM 1072 N SER A 83 5.213 -7.797 -3.717 1.00 0.00 N ATOM 1073 CA SER A 83 5.289 -9.164 -4.204 1.00 0.00 C ATOM 1074 C SER A 83 6.723 -9.490 -4.625 1.00 0.00 C ATOM 1075 O SER A 83 7.273 -10.516 -4.227 1.00 0.00 O ATOM 1076 CB SER A 83 4.329 -9.386 -5.374 1.00 0.00 C ATOM 1077 OG SER A 83 3.843 -10.724 -5.420 1.00 0.00 O ATOM 0 H SER A 83 4.414 -7.265 -4.061 1.00 0.00 H new ATOM 0 HA SER A 83 4.993 -9.832 -3.395 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.488 -8.698 -5.288 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.838 -9.153 -6.309 1.00 0.00 H new ATOM 0 HG SER A 83 3.232 -10.824 -6.180 1.00 0.00 H new ATOM 1083 N LYS A 84 7.289 -8.598 -5.425 1.00 0.00 N ATOM 1084 CA LYS A 84 8.649 -8.778 -5.904 1.00 0.00 C ATOM 1085 C LYS A 84 9.564 -9.099 -4.721 1.00 0.00 C ATOM 1086 O LYS A 84 10.245 -10.123 -4.719 1.00 0.00 O ATOM 1087 CB LYS A 84 9.096 -7.560 -6.715 1.00 0.00 C ATOM 1088 CG LYS A 84 10.268 -7.913 -7.634 1.00 0.00 C ATOM 1089 CD LYS A 84 10.772 -6.677 -8.380 1.00 0.00 C ATOM 1090 CE LYS A 84 10.080 -6.536 -9.737 1.00 0.00 C ATOM 1091 NZ LYS A 84 10.986 -6.962 -10.827 1.00 0.00 N ATOM 0 H LYS A 84 6.830 -7.748 -5.754 1.00 0.00 H new ATOM 0 HA LYS A 84 8.703 -9.625 -6.588 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.262 -7.189 -7.310 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.388 -6.756 -6.039 1.00 0.00 H new ATOM 0 HG2 LYS A 84 11.079 -8.343 -7.046 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.956 -8.673 -8.351 1.00 0.00 H new ATOM 0 HD2 LYS A 84 10.589 -5.786 -7.780 1.00 0.00 H new ATOM 0 HD3 LYS A 84 11.850 -6.749 -8.523 1.00 0.00 H new ATOM 0 HE2 LYS A 84 9.172 -7.139 -9.754 1.00 0.00 H new ATOM 0 HE3 LYS A 84 9.777 -5.500 -9.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 10.501 -6.860 -11.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 11.840 -6.369 -10.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 11.254 -7.957 -10.686 1.00 0.00 H new ATOM 1105 N VAL A 85 9.549 -8.205 -3.743 1.00 0.00 N ATOM 1106 CA VAL A 85 10.369 -8.380 -2.557 1.00 0.00 C ATOM 1107 C VAL A 85 10.082 -9.751 -1.942 1.00 0.00 C ATOM 1108 O VAL A 85 10.967 -10.367 -1.349 1.00 0.00 O ATOM 1109 CB VAL A 85 10.132 -7.226 -1.581 1.00 0.00 C ATOM 1110 CG1 VAL A 85 10.529 -7.620 -0.157 1.00 0.00 C ATOM 1111 CG2 VAL A 85 10.877 -5.967 -2.029 1.00 0.00 C ATOM 0 H VAL A 85 8.982 -7.357 -3.748 1.00 0.00 H new ATOM 0 HA VAL A 85 11.427 -8.355 -2.818 1.00 0.00 H new ATOM 0 HB VAL A 85 9.065 -7.002 -1.581 1.00 0.00 H new ATOM 0 HG11 VAL A 85 10.350 -6.781 0.516 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.934 -8.475 0.163 1.00 0.00 H new ATOM 0 HG13 VAL A 85 11.586 -7.885 -0.134 1.00 0.00 H new ATOM 0 HG21 VAL A 85 10.692 -5.162 -1.318 1.00 0.00 H new ATOM 0 HG22 VAL A 85 11.946 -6.173 -2.073 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.525 -5.668 -3.016 1.00 0.00 H new ATOM 1121 N ILE A 86 8.842 -10.189 -2.104 1.00 0.00 N ATOM 1122 CA ILE A 86 8.428 -11.476 -1.572 1.00 0.00 C ATOM 1123 C ILE A 86 8.955 -12.591 -2.477 1.00 0.00 C ATOM 1124 O ILE A 86 9.915 -13.276 -2.129 1.00 0.00 O ATOM 1125 CB ILE A 86 6.911 -11.510 -1.373 1.00 0.00 C ATOM 1126 CG1 ILE A 86 6.455 -10.392 -0.434 1.00 0.00 C ATOM 1127 CG2 ILE A 86 6.452 -12.887 -0.889 1.00 0.00 C ATOM 1128 CD1 ILE A 86 7.182 -10.474 0.910 1.00 0.00 C ATOM 0 H ILE A 86 8.111 -9.676 -2.596 1.00 0.00 H new ATOM 0 HA ILE A 86 8.860 -11.637 -0.584 1.00 0.00 H new ATOM 0 HB ILE A 86 6.437 -11.333 -2.338 1.00 0.00 H new ATOM 0 HG12 ILE A 86 6.646 -9.424 -0.896 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.379 -10.462 -0.274 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.370 -12.884 -0.756 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.724 -13.641 -1.627 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.934 -13.118 0.061 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.839 -9.668 1.559 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.969 -11.434 1.381 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.256 -10.379 0.749 1.00 0.00 H new ATOM 1140 N GLY A 87 8.303 -12.738 -3.621 1.00 0.00 N ATOM 1141 CA GLY A 87 8.694 -13.758 -4.579 1.00 0.00 C ATOM 1142 C GLY A 87 7.550 -14.742 -4.831 1.00 0.00 C ATOM 1143 O GLY A 87 7.696 -15.942 -4.601 1.00 0.00 O ATOM 0 H GLY A 87 7.507 -12.168 -3.906 1.00 0.00 H new ATOM 0 HA2 GLY A 87 8.987 -13.287 -5.518 1.00 0.00 H new ATOM 0 HA3 GLY A 87 9.566 -14.296 -4.207 1.00 0.00 H new ATOM 1147 N GLY A 88 6.436 -14.198 -5.298 1.00 0.00 N ATOM 1148 CA GLY A 88 5.267 -15.013 -5.583 1.00 0.00 C ATOM 1149 C GLY A 88 4.731 -15.667 -4.308 1.00 0.00 C ATOM 1150 O GLY A 88 5.287 -16.655 -3.832 1.00 0.00 O ATOM 0 H GLY A 88 6.318 -13.202 -5.486 1.00 0.00 H new ATOM 0 HA2 GLY A 88 4.490 -14.396 -6.034 1.00 0.00 H new ATOM 0 HA3 GLY A 88 5.524 -15.783 -6.310 1.00 0.00 H new ATOM 1154 N PHE A 89 3.657 -15.089 -3.791 1.00 0.00 N ATOM 1155 CA PHE A 89 3.039 -15.603 -2.580 1.00 0.00 C ATOM 1156 C PHE A 89 2.463 -17.001 -2.810 1.00 0.00 C ATOM 1157 O PHE A 89 1.301 -17.143 -3.190 1.00 0.00 O ATOM 1158 CB PHE A 89 1.900 -14.648 -2.219 1.00 0.00 C ATOM 1159 CG PHE A 89 1.553 -14.629 -0.729 1.00 0.00 C ATOM 1160 CD1 PHE A 89 2.239 -13.815 0.119 1.00 0.00 C ATOM 1161 CD2 PHE A 89 0.560 -15.425 -0.251 1.00 0.00 C ATOM 1162 CE1 PHE A 89 1.917 -13.797 1.501 1.00 0.00 C ATOM 1163 CE2 PHE A 89 0.238 -15.407 1.132 1.00 0.00 C ATOM 1164 CZ PHE A 89 0.924 -14.594 1.979 1.00 0.00 C ATOM 0 H PHE A 89 3.198 -14.269 -4.189 1.00 0.00 H new ATOM 0 HA PHE A 89 3.780 -15.671 -1.784 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.172 -13.640 -2.531 1.00 0.00 H new ATOM 0 HB3 PHE A 89 1.012 -14.928 -2.785 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.028 -13.183 -0.260 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.016 -16.071 -0.923 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.461 -13.150 2.173 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.552 -16.039 1.511 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.680 -14.581 3.031 1.00 0.00 H new ATOM 1174 N ALA A 90 3.301 -17.999 -2.571 1.00 0.00 N ATOM 1175 CA ALA A 90 2.890 -19.381 -2.747 1.00 0.00 C ATOM 1176 C ALA A 90 3.710 -20.276 -1.815 1.00 0.00 C ATOM 1177 O ALA A 90 4.860 -19.968 -1.507 1.00 0.00 O ATOM 1178 CB ALA A 90 3.043 -19.776 -4.218 1.00 0.00 C ATOM 0 H ALA A 90 4.264 -17.878 -2.257 1.00 0.00 H new ATOM 0 HA ALA A 90 1.840 -19.505 -2.483 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.735 -20.813 -4.350 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.418 -19.130 -4.835 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.085 -19.666 -4.518 1.00 0.00 H new ATOM 1184 N GLY A 91 3.085 -21.365 -1.393 1.00 0.00 N ATOM 1185 CA GLY A 91 3.742 -22.307 -0.502 1.00 0.00 C ATOM 1186 C GLY A 91 4.496 -21.574 0.610 1.00 0.00 C ATOM 1187 O GLY A 91 3.887 -21.095 1.566 1.00 0.00 O ATOM 0 H GLY A 91 2.131 -21.616 -1.651 1.00 0.00 H new ATOM 0 HA2 GLY A 91 3.001 -22.976 -0.064 1.00 0.00 H new ATOM 0 HA3 GLY A 91 4.436 -22.927 -1.070 1.00 0.00 H new ATOM 1191 N THR A 92 5.810 -21.511 0.449 1.00 0.00 N ATOM 1192 CA THR A 92 6.653 -20.845 1.427 1.00 0.00 C ATOM 1193 C THR A 92 6.134 -19.433 1.705 1.00 0.00 C ATOM 1194 O THR A 92 5.664 -18.750 0.796 1.00 0.00 O ATOM 1195 CB THR A 92 8.092 -20.873 0.909 1.00 0.00 C ATOM 1196 OG1 THR A 92 8.880 -20.567 2.055 1.00 0.00 O ATOM 1197 CG2 THR A 92 8.386 -19.728 -0.063 1.00 0.00 C ATOM 0 H THR A 92 6.311 -21.910 -0.344 1.00 0.00 H new ATOM 0 HA THR A 92 6.628 -21.361 2.387 1.00 0.00 H new ATOM 0 HB THR A 92 8.282 -21.826 0.415 1.00 0.00 H new ATOM 0 HG1 THR A 92 9.829 -20.566 1.809 1.00 0.00 H new ATOM 0 HG21 THR A 92 9.420 -19.794 -0.401 1.00 0.00 H new ATOM 0 HG22 THR A 92 7.719 -19.799 -0.922 1.00 0.00 H new ATOM 0 HG23 THR A 92 8.229 -18.774 0.440 1.00 0.00 H new