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 180:sc= 0 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= -0.299 K(o=-0.3,f=-2.8!) 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 71:sc= 1.02 USER MOD Single : A 83 SER OG : rot -66:sc= 0.745 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 46:sc= -0.557 USER MOD ----------------------------------------------------------------- ATOM 116 N SER A 9 -10.554 -13.628 1.966 1.00 0.00 N ATOM 117 CA SER A 9 -10.392 -13.529 3.407 1.00 0.00 C ATOM 118 C SER A 9 -11.476 -12.624 3.995 1.00 0.00 C ATOM 119 O SER A 9 -11.666 -11.498 3.536 1.00 0.00 O ATOM 120 CB SER A 9 -9.003 -12.998 3.770 1.00 0.00 C ATOM 121 OG SER A 9 -8.249 -13.945 4.522 1.00 0.00 O ATOM 0 HA SER A 9 -10.492 -14.528 3.831 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.462 -12.746 2.858 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.106 -12.078 4.345 1.00 0.00 H new ATOM 0 HG SER A 9 -7.369 -13.569 4.732 1.00 0.00 H new ATOM 127 N GLY A 10 -12.159 -13.149 5.002 1.00 0.00 N ATOM 128 CA GLY A 10 -13.219 -12.402 5.657 1.00 0.00 C ATOM 129 C GLY A 10 -12.660 -11.532 6.784 1.00 0.00 C ATOM 130 O GLY A 10 -12.123 -10.454 6.533 1.00 0.00 O ATOM 0 H GLY A 10 -11.999 -14.083 5.380 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -13.731 -11.774 4.928 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.960 -13.092 6.059 1.00 0.00 H new ATOM 134 N ARG A 11 -12.807 -12.031 8.003 1.00 0.00 N ATOM 135 CA ARG A 11 -12.324 -11.312 9.169 1.00 0.00 C ATOM 136 C ARG A 11 -10.796 -11.371 9.234 1.00 0.00 C ATOM 137 O ARG A 11 -10.134 -10.336 9.289 1.00 0.00 O ATOM 138 CB ARG A 11 -12.905 -11.899 10.457 1.00 0.00 C ATOM 139 CG ARG A 11 -12.680 -10.955 11.640 1.00 0.00 C ATOM 140 CD ARG A 11 -13.021 -11.643 12.964 1.00 0.00 C ATOM 141 NE ARG A 11 -12.245 -11.032 14.066 1.00 0.00 N ATOM 142 CZ ARG A 11 -12.472 -9.795 14.556 1.00 0.00 C ATOM 143 NH1 ARG A 11 -13.455 -9.025 14.045 1.00 0.00 N ATOM 144 NH2 ARG A 11 -11.717 -9.349 15.543 1.00 0.00 N ATOM 0 H ARG A 11 -13.254 -12.925 8.208 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.647 -10.275 9.077 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -13.972 -12.080 10.329 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.441 -12.863 10.663 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.641 -10.626 11.654 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -13.295 -10.063 11.520 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -14.088 -11.553 13.166 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.798 -12.708 12.898 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.491 -11.580 14.481 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -14.034 -9.376 13.282 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.619 -8.091 14.422 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.975 -9.937 15.924 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.875 -8.416 15.925 1.00 0.00 H new ATOM 158 N ALA A 12 -10.282 -12.592 9.225 1.00 0.00 N ATOM 159 CA ALA A 12 -8.845 -12.798 9.282 1.00 0.00 C ATOM 160 C ALA A 12 -8.148 -11.753 8.409 1.00 0.00 C ATOM 161 O ALA A 12 -7.050 -11.303 8.730 1.00 0.00 O ATOM 162 CB ALA A 12 -8.517 -14.230 8.851 1.00 0.00 C ATOM 0 H ALA A 12 -10.835 -13.448 9.179 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.480 -12.672 10.301 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.439 -14.385 8.894 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.011 -14.934 9.521 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.867 -14.392 7.831 1.00 0.00 H new ATOM 168 N ALA A 13 -8.816 -11.397 7.321 1.00 0.00 N ATOM 169 CA ALA A 13 -8.275 -10.413 6.399 1.00 0.00 C ATOM 170 C ALA A 13 -7.677 -9.251 7.194 1.00 0.00 C ATOM 171 O ALA A 13 -6.487 -8.962 7.078 1.00 0.00 O ATOM 172 CB ALA A 13 -9.373 -9.957 5.436 1.00 0.00 C ATOM 0 H ALA A 13 -9.727 -11.773 7.058 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.476 -10.848 5.799 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.967 -9.219 4.744 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.744 -10.815 4.875 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.192 -9.512 6.002 1.00 0.00 H new ATOM 178 N VAL A 14 -8.530 -8.615 7.984 1.00 0.00 N ATOM 179 CA VAL A 14 -8.101 -7.490 8.797 1.00 0.00 C ATOM 180 C VAL A 14 -6.776 -7.836 9.480 1.00 0.00 C ATOM 181 O VAL A 14 -5.855 -7.021 9.506 1.00 0.00 O ATOM 182 CB VAL A 14 -9.203 -7.111 9.789 1.00 0.00 C ATOM 183 CG1 VAL A 14 -8.723 -6.024 10.753 1.00 0.00 C ATOM 184 CG2 VAL A 14 -10.472 -6.672 9.056 1.00 0.00 C ATOM 0 H VAL A 14 -9.516 -8.858 8.078 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.927 -6.613 8.174 1.00 0.00 H new ATOM 0 HB VAL A 14 -9.444 -7.997 10.377 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.525 -5.773 11.447 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.861 -6.388 11.311 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -8.441 -5.135 10.188 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -11.240 -6.408 9.784 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.251 -5.806 8.432 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.831 -7.488 8.430 1.00 0.00 H new ATOM 194 N ALA A 15 -6.721 -9.047 10.015 1.00 0.00 N ATOM 195 CA ALA A 15 -5.524 -9.511 10.696 1.00 0.00 C ATOM 196 C ALA A 15 -4.323 -9.372 9.758 1.00 0.00 C ATOM 197 O ALA A 15 -3.284 -8.843 10.150 1.00 0.00 O ATOM 198 CB ALA A 15 -5.731 -10.951 11.168 1.00 0.00 C ATOM 0 H ALA A 15 -7.486 -9.721 9.991 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.325 -8.904 11.579 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.833 -11.299 11.679 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.577 -10.991 11.854 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.930 -11.591 10.308 1.00 0.00 H new ATOM 204 N ALA A 16 -4.506 -9.855 8.538 1.00 0.00 N ATOM 205 CA ALA A 16 -3.451 -9.791 7.542 1.00 0.00 C ATOM 206 C ALA A 16 -3.141 -8.326 7.226 1.00 0.00 C ATOM 207 O ALA A 16 -2.038 -8.001 6.792 1.00 0.00 O ATOM 208 CB ALA A 16 -3.873 -10.578 6.300 1.00 0.00 C ATOM 0 H ALA A 16 -5.370 -10.292 8.217 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.537 -10.247 7.922 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.081 -10.530 5.552 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.053 -11.618 6.572 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.786 -10.147 5.889 1.00 0.00 H new ATOM 214 N VAL A 17 -4.136 -7.481 7.458 1.00 0.00 N ATOM 215 CA VAL A 17 -3.983 -6.059 7.203 1.00 0.00 C ATOM 216 C VAL A 17 -3.259 -5.409 8.384 1.00 0.00 C ATOM 217 O VAL A 17 -2.659 -4.345 8.239 1.00 0.00 O ATOM 218 CB VAL A 17 -5.349 -5.429 6.920 1.00 0.00 C ATOM 219 CG1 VAL A 17 -5.232 -3.910 6.772 1.00 0.00 C ATOM 220 CG2 VAL A 17 -5.993 -6.052 5.680 1.00 0.00 C ATOM 0 H VAL A 17 -5.050 -7.754 7.819 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.372 -5.893 6.315 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.996 -5.634 7.773 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.216 -3.487 6.571 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.835 -3.484 7.693 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.561 -3.676 5.945 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.962 -5.587 5.501 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.348 -5.892 4.816 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.128 -7.122 5.839 1.00 0.00 H new ATOM 230 N VAL A 18 -3.338 -6.076 9.526 1.00 0.00 N ATOM 231 CA VAL A 18 -2.697 -5.577 10.730 1.00 0.00 C ATOM 232 C VAL A 18 -1.179 -5.676 10.574 1.00 0.00 C ATOM 233 O VAL A 18 -0.472 -4.678 10.699 1.00 0.00 O ATOM 234 CB VAL A 18 -3.223 -6.331 11.954 1.00 0.00 C ATOM 235 CG1 VAL A 18 -2.447 -5.941 13.213 1.00 0.00 C ATOM 236 CG2 VAL A 18 -4.723 -6.096 12.140 1.00 0.00 C ATOM 0 H VAL A 18 -3.837 -6.958 9.643 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.939 -4.525 10.883 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.070 -7.396 11.782 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.841 -6.491 14.068 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.393 -6.183 13.080 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.554 -4.871 13.389 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.071 -6.643 13.016 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.910 -5.031 12.279 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.258 -6.446 11.258 1.00 0.00 H new ATOM 246 N GLY A 19 -0.722 -6.890 10.303 1.00 0.00 N ATOM 247 CA GLY A 19 0.700 -7.133 10.128 1.00 0.00 C ATOM 248 C GLY A 19 1.339 -6.046 9.263 1.00 0.00 C ATOM 249 O GLY A 19 1.190 -6.051 8.042 1.00 0.00 O ATOM 0 H GLY A 19 -1.312 -7.716 10.200 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.190 -7.163 11.101 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.852 -8.108 9.664 1.00 0.00 H new ATOM 253 N GLY A 20 2.039 -5.139 9.930 1.00 0.00 N ATOM 254 CA GLY A 20 2.702 -4.047 9.237 1.00 0.00 C ATOM 255 C GLY A 20 2.141 -2.695 9.681 1.00 0.00 C ATOM 256 O GLY A 20 1.961 -1.794 8.863 1.00 0.00 O ATOM 0 H GLY A 20 2.161 -5.138 10.943 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.773 -4.083 9.435 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.573 -4.163 8.161 1.00 0.00 H new ATOM 260 N VAL A 21 1.880 -2.595 10.976 1.00 0.00 N ATOM 261 CA VAL A 21 1.343 -1.368 11.539 1.00 0.00 C ATOM 262 C VAL A 21 2.337 -0.228 11.307 1.00 0.00 C ATOM 263 O VAL A 21 2.037 0.726 10.590 1.00 0.00 O ATOM 264 CB VAL A 21 1.005 -1.574 13.017 1.00 0.00 C ATOM 265 CG1 VAL A 21 0.641 -0.247 13.687 1.00 0.00 C ATOM 266 CG2 VAL A 21 -0.119 -2.598 13.184 1.00 0.00 C ATOM 0 H VAL A 21 2.031 -3.344 11.652 1.00 0.00 H new ATOM 0 HA VAL A 21 0.412 -1.095 11.041 1.00 0.00 H new ATOM 0 HB VAL A 21 1.893 -1.967 13.512 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.405 -0.422 14.737 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.484 0.441 13.614 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.225 0.187 13.188 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.340 -2.726 14.244 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.012 -2.246 12.667 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.193 -3.553 12.760 1.00 0.00 H new ATOM 276 N VAL A 22 3.500 -0.364 11.926 1.00 0.00 N ATOM 277 CA VAL A 22 4.540 0.642 11.796 1.00 0.00 C ATOM 278 C VAL A 22 4.720 0.994 10.318 1.00 0.00 C ATOM 279 O VAL A 22 4.773 2.169 9.958 1.00 0.00 O ATOM 280 CB VAL A 22 5.830 0.151 12.455 1.00 0.00 C ATOM 281 CG1 VAL A 22 7.004 1.071 12.117 1.00 0.00 C ATOM 282 CG2 VAL A 22 5.656 0.018 13.970 1.00 0.00 C ATOM 0 H VAL A 22 3.745 -1.156 12.520 1.00 0.00 H new ATOM 0 HA VAL A 22 4.254 1.556 12.316 1.00 0.00 H new ATOM 0 HB VAL A 22 6.054 -0.838 12.055 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.908 0.699 12.598 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.150 1.092 11.037 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.791 2.079 12.474 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.588 -0.333 14.414 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.395 0.988 14.393 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.861 -0.696 14.184 1.00 0.00 H new ATOM 292 N ALA A 23 4.811 -0.045 9.502 1.00 0.00 N ATOM 293 CA ALA A 23 4.985 0.139 8.071 1.00 0.00 C ATOM 294 C ALA A 23 3.898 1.081 7.547 1.00 0.00 C ATOM 295 O ALA A 23 4.176 1.967 6.740 1.00 0.00 O ATOM 296 CB ALA A 23 4.962 -1.223 7.374 1.00 0.00 C ATOM 0 H ALA A 23 4.768 -1.018 9.804 1.00 0.00 H new ATOM 0 HA ALA A 23 5.950 0.598 7.857 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.092 -1.085 6.301 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.770 -1.843 7.761 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.007 -1.712 7.563 1.00 0.00 H new ATOM 302 N VAL A 24 2.684 0.857 8.027 1.00 0.00 N ATOM 303 CA VAL A 24 1.555 1.674 7.617 1.00 0.00 C ATOM 304 C VAL A 24 1.761 3.106 8.113 1.00 0.00 C ATOM 305 O VAL A 24 1.331 4.060 7.465 1.00 0.00 O ATOM 306 CB VAL A 24 0.249 1.051 8.115 1.00 0.00 C ATOM 307 CG1 VAL A 24 -0.325 1.846 9.289 1.00 0.00 C ATOM 308 CG2 VAL A 24 -0.770 0.933 6.981 1.00 0.00 C ATOM 0 H VAL A 24 2.457 0.121 8.696 1.00 0.00 H new ATOM 0 HA VAL A 24 1.487 1.713 6.530 1.00 0.00 H new ATOM 0 HB VAL A 24 0.472 0.045 8.470 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.253 1.382 9.624 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.393 1.854 10.109 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.525 2.870 8.972 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.689 0.487 7.362 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.986 1.924 6.581 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.363 0.304 6.190 1.00 0.00 H new ATOM 318 N GLY A 25 2.418 3.213 9.259 1.00 0.00 N ATOM 319 CA GLY A 25 2.686 4.513 9.850 1.00 0.00 C ATOM 320 C GLY A 25 3.698 5.298 9.012 1.00 0.00 C ATOM 321 O GLY A 25 3.494 6.478 8.731 1.00 0.00 O ATOM 0 H GLY A 25 2.773 2.420 9.794 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.758 5.079 9.930 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.069 4.384 10.862 1.00 0.00 H new ATOM 325 N THR A 26 4.766 4.611 8.636 1.00 0.00 N ATOM 326 CA THR A 26 5.810 5.229 7.836 1.00 0.00 C ATOM 327 C THR A 26 5.242 5.714 6.501 1.00 0.00 C ATOM 328 O THR A 26 5.390 6.883 6.148 1.00 0.00 O ATOM 329 CB THR A 26 6.948 4.218 7.681 1.00 0.00 C ATOM 330 OG1 THR A 26 7.603 4.236 8.946 1.00 0.00 O ATOM 331 CG2 THR A 26 8.021 4.691 6.698 1.00 0.00 C ATOM 0 H THR A 26 4.931 3.632 8.870 1.00 0.00 H new ATOM 0 HA THR A 26 6.210 6.117 8.325 1.00 0.00 H new ATOM 0 HB THR A 26 6.543 3.264 7.344 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.354 3.607 8.934 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.805 3.937 6.625 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.573 4.845 5.716 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.451 5.628 7.052 1.00 0.00 H new ATOM 339 N VAL A 27 4.603 4.792 5.796 1.00 0.00 N ATOM 340 CA VAL A 27 4.012 5.111 4.508 1.00 0.00 C ATOM 341 C VAL A 27 3.091 6.324 4.660 1.00 0.00 C ATOM 342 O VAL A 27 3.180 7.276 3.887 1.00 0.00 O ATOM 343 CB VAL A 27 3.295 3.884 3.942 1.00 0.00 C ATOM 344 CG1 VAL A 27 2.190 3.411 4.888 1.00 0.00 C ATOM 345 CG2 VAL A 27 2.738 4.169 2.546 1.00 0.00 C ATOM 0 H VAL A 27 4.482 3.824 6.093 1.00 0.00 H new ATOM 0 HA VAL A 27 4.786 5.379 3.789 1.00 0.00 H new ATOM 0 HB VAL A 27 4.026 3.080 3.852 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.696 2.538 4.462 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.625 3.148 5.852 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.461 4.210 5.024 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.233 3.280 2.167 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.028 4.994 2.599 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.555 4.436 1.876 1.00 0.00 H new ATOM 355 N LEU A 28 2.228 6.249 5.663 1.00 0.00 N ATOM 356 CA LEU A 28 1.292 7.328 5.927 1.00 0.00 C ATOM 357 C LEU A 28 2.057 8.650 6.016 1.00 0.00 C ATOM 358 O LEU A 28 1.729 9.609 5.319 1.00 0.00 O ATOM 359 CB LEU A 28 0.453 7.018 7.168 1.00 0.00 C ATOM 360 CG LEU A 28 -1.008 6.641 6.913 1.00 0.00 C ATOM 361 CD1 LEU A 28 -1.798 7.837 6.380 1.00 0.00 C ATOM 362 CD2 LEU A 28 -1.107 5.429 5.984 1.00 0.00 C ATOM 0 H LEU A 28 2.158 5.457 6.302 1.00 0.00 H new ATOM 0 HA LEU A 28 0.581 7.425 5.107 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.929 6.201 7.709 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.474 7.889 7.823 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.458 6.356 7.864 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.833 7.542 6.207 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.769 8.647 7.109 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.356 8.176 5.443 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.156 5.182 5.819 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.635 5.662 5.030 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.601 4.578 6.441 1.00 0.00 H new ATOM 374 N VAL A 29 3.061 8.659 6.880 1.00 0.00 N ATOM 375 CA VAL A 29 3.875 9.847 7.070 1.00 0.00 C ATOM 376 C VAL A 29 4.293 10.397 5.704 1.00 0.00 C ATOM 377 O VAL A 29 4.161 11.592 5.446 1.00 0.00 O ATOM 378 CB VAL A 29 5.066 9.527 7.975 1.00 0.00 C ATOM 379 CG1 VAL A 29 6.037 10.707 8.042 1.00 0.00 C ATOM 380 CG2 VAL A 29 4.598 9.123 9.375 1.00 0.00 C ATOM 0 H VAL A 29 3.329 7.862 7.457 1.00 0.00 H new ATOM 0 HA VAL A 29 3.302 10.626 7.573 1.00 0.00 H new ATOM 0 HB VAL A 29 5.597 8.680 7.541 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.874 10.453 8.692 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.409 10.930 7.042 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.521 11.581 8.440 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.464 8.901 9.998 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.031 9.941 9.820 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.964 8.239 9.306 1.00 0.00 H new ATOM 390 N ALA A 30 4.789 9.498 4.867 1.00 0.00 N ATOM 391 CA ALA A 30 5.227 9.878 3.534 1.00 0.00 C ATOM 392 C ALA A 30 4.024 10.371 2.728 1.00 0.00 C ATOM 393 O ALA A 30 4.168 11.214 1.844 1.00 0.00 O ATOM 394 CB ALA A 30 5.929 8.692 2.870 1.00 0.00 C ATOM 0 H ALA A 30 4.897 8.508 5.086 1.00 0.00 H new ATOM 0 HA ALA A 30 5.946 10.695 3.584 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.257 8.977 1.870 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.793 8.400 3.467 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.237 7.853 2.799 1.00 0.00 H new ATOM 400 N LEU A 31 2.864 9.823 3.061 1.00 0.00 N ATOM 401 CA LEU A 31 1.637 10.196 2.378 1.00 0.00 C ATOM 402 C LEU A 31 1.345 11.676 2.636 1.00 0.00 C ATOM 403 O LEU A 31 1.345 12.483 1.708 1.00 0.00 O ATOM 404 CB LEU A 31 0.494 9.264 2.784 1.00 0.00 C ATOM 405 CG LEU A 31 -0.325 8.668 1.637 1.00 0.00 C ATOM 406 CD1 LEU A 31 -0.003 7.185 1.446 1.00 0.00 C ATOM 407 CD2 LEU A 31 -1.821 8.907 1.849 1.00 0.00 C ATOM 0 H LEU A 31 2.748 9.124 3.795 1.00 0.00 H new ATOM 0 HA LEU A 31 1.748 10.076 1.300 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.910 8.445 3.371 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.182 9.814 3.439 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.045 9.179 0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.599 6.786 0.625 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.056 7.069 1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.237 6.641 2.361 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.380 8.473 1.020 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.135 8.440 2.782 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.015 9.979 1.897 1.00 0.00 H new ATOM 419 N SER A 32 1.102 11.986 3.901 1.00 0.00 N ATOM 420 CA SER A 32 0.809 13.355 4.293 1.00 0.00 C ATOM 421 C SER A 32 1.993 14.261 3.953 1.00 0.00 C ATOM 422 O SER A 32 1.886 15.131 3.089 1.00 0.00 O ATOM 423 CB SER A 32 0.484 13.443 5.785 1.00 0.00 C ATOM 424 OG SER A 32 -0.672 14.238 6.034 1.00 0.00 O ATOM 0 H SER A 32 1.102 11.313 4.668 1.00 0.00 H new ATOM 0 HA SER A 32 -0.067 13.690 3.738 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.326 12.440 6.181 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.336 13.866 6.317 1.00 0.00 H new ATOM 0 HG SER A 32 -0.847 14.268 6.998 1.00 0.00 H new ATOM 430 N ALA A 33 3.095 14.028 4.650 1.00 0.00 N ATOM 431 CA ALA A 33 4.299 14.813 4.433 1.00 0.00 C ATOM 432 C ALA A 33 4.774 14.622 2.991 1.00 0.00 C ATOM 433 O ALA A 33 4.018 14.153 2.141 1.00 0.00 O ATOM 434 CB ALA A 33 5.363 14.410 5.455 1.00 0.00 C ATOM 0 H ALA A 33 3.180 13.306 5.366 1.00 0.00 H new ATOM 0 HA ALA A 33 4.096 15.874 4.576 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.266 14.999 5.292 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.988 14.592 6.462 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.595 13.351 5.340 1.00 0.00 H new ATOM 440 N MET A 34 6.023 14.996 2.759 1.00 0.00 N ATOM 441 CA MET A 34 6.608 14.872 1.434 1.00 0.00 C ATOM 442 C MET A 34 6.020 15.909 0.476 1.00 0.00 C ATOM 443 O MET A 34 6.009 15.704 -0.737 1.00 0.00 O ATOM 444 CB MET A 34 6.345 13.466 0.890 1.00 0.00 C ATOM 445 CG MET A 34 7.656 12.759 0.542 1.00 0.00 C ATOM 446 SD MET A 34 7.320 11.268 -0.380 1.00 0.00 S ATOM 447 CE MET A 34 7.713 11.828 -2.029 1.00 0.00 C ATOM 0 H MET A 34 6.647 15.385 3.466 1.00 0.00 H new ATOM 0 HA MET A 34 7.681 15.046 1.513 1.00 0.00 H new ATOM 0 HB2 MET A 34 5.798 12.882 1.630 1.00 0.00 H new ATOM 0 HB3 MET A 34 5.714 13.527 0.003 1.00 0.00 H new ATOM 0 HG2 MET A 34 8.292 13.423 -0.043 1.00 0.00 H new ATOM 0 HG3 MET A 34 8.201 12.517 1.454 1.00 0.00 H new ATOM 0 HE1 MET A 34 7.557 11.014 -2.737 1.00 0.00 H new ATOM 0 HE2 MET A 34 7.068 12.666 -2.292 1.00 0.00 H new ATOM 0 HE3 MET A 34 8.755 12.146 -2.066 1.00 0.00 H new ATOM 457 N GLY A 35 5.544 17.001 1.056 1.00 0.00 N ATOM 458 CA GLY A 35 4.955 18.071 0.268 1.00 0.00 C ATOM 459 C GLY A 35 4.040 18.946 1.128 1.00 0.00 C ATOM 460 O GLY A 35 3.932 20.149 0.900 1.00 0.00 O ATOM 0 H GLY A 35 5.554 17.168 2.062 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.744 18.683 -0.168 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.386 17.647 -0.560 1.00 0.00 H new ATOM 464 N PHE A 36 3.405 18.306 2.100 1.00 0.00 N ATOM 465 CA PHE A 36 2.503 19.010 2.995 1.00 0.00 C ATOM 466 C PHE A 36 2.390 18.288 4.339 1.00 0.00 C ATOM 467 O PHE A 36 1.600 17.357 4.483 1.00 0.00 O ATOM 468 CB PHE A 36 1.129 19.029 2.322 1.00 0.00 C ATOM 469 CG PHE A 36 0.815 20.332 1.585 1.00 0.00 C ATOM 470 CD1 PHE A 36 1.094 21.528 2.169 1.00 0.00 C ATOM 471 CD2 PHE A 36 0.255 20.295 0.346 1.00 0.00 C ATOM 472 CE1 PHE A 36 0.802 22.738 1.486 1.00 0.00 C ATOM 473 CE2 PHE A 36 -0.037 21.505 -0.338 1.00 0.00 C ATOM 474 CZ PHE A 36 0.243 22.701 0.247 1.00 0.00 C ATOM 0 H PHE A 36 3.498 17.308 2.287 1.00 0.00 H new ATOM 0 HA PHE A 36 2.877 20.016 3.184 1.00 0.00 H new ATOM 0 HB2 PHE A 36 1.070 18.201 1.616 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.363 18.858 3.078 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.538 21.557 3.153 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.032 19.345 -0.118 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.024 23.687 1.950 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.481 21.476 -1.322 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.021 23.621 -0.273 1.00 0.00 H new ATOM 484 N THR A 37 3.192 18.745 5.289 1.00 0.00 N ATOM 485 CA THR A 37 3.192 18.155 6.617 1.00 0.00 C ATOM 486 C THR A 37 1.819 18.317 7.273 1.00 0.00 C ATOM 487 O THR A 37 0.875 18.784 6.637 1.00 0.00 O ATOM 488 CB THR A 37 4.328 18.793 7.419 1.00 0.00 C ATOM 489 OG1 THR A 37 4.011 20.183 7.423 1.00 0.00 O ATOM 490 CG2 THR A 37 5.672 18.720 6.691 1.00 0.00 C ATOM 0 H THR A 37 3.847 19.517 5.166 1.00 0.00 H new ATOM 0 HA THR A 37 3.371 17.081 6.572 1.00 0.00 H new ATOM 0 HB THR A 37 4.412 18.298 8.386 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.696 20.673 7.924 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.443 19.187 7.304 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.933 17.677 6.512 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.599 19.244 5.738 1.00 0.00 H new ATOM 498 N SER A 38 1.752 17.923 8.536 1.00 0.00 N ATOM 499 CA SER A 38 0.511 18.018 9.285 1.00 0.00 C ATOM 500 C SER A 38 0.693 18.954 10.482 1.00 0.00 C ATOM 501 O SER A 38 0.526 20.166 10.358 1.00 0.00 O ATOM 502 CB SER A 38 0.043 16.640 9.755 1.00 0.00 C ATOM 503 OG SER A 38 1.112 15.698 9.796 1.00 0.00 O ATOM 0 H SER A 38 2.538 17.537 9.060 1.00 0.00 H new ATOM 0 HA SER A 38 -0.255 18.426 8.626 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.402 16.727 10.746 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.737 16.275 9.087 1.00 0.00 H new ATOM 0 HG SER A 38 0.773 14.831 10.103 1.00 0.00 H new ATOM 509 N VAL A 39 1.032 18.355 11.614 1.00 0.00 N ATOM 510 CA VAL A 39 1.238 19.119 12.832 1.00 0.00 C ATOM 511 C VAL A 39 0.056 20.069 13.040 1.00 0.00 C ATOM 512 O VAL A 39 -1.049 19.802 12.571 1.00 0.00 O ATOM 513 CB VAL A 39 2.584 19.844 12.774 1.00 0.00 C ATOM 514 CG1 VAL A 39 3.717 18.871 12.440 1.00 0.00 C ATOM 515 CG2 VAL A 39 2.541 21.000 11.772 1.00 0.00 C ATOM 0 H VAL A 39 1.169 17.349 11.713 1.00 0.00 H new ATOM 0 HA VAL A 39 1.278 18.456 13.696 1.00 0.00 H new ATOM 0 HB VAL A 39 2.782 20.263 13.761 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.663 19.412 12.405 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.770 18.097 13.206 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.527 18.410 11.471 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.510 21.499 11.750 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.310 20.613 10.780 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.773 21.713 12.072 1.00 0.00 H new ATOM 525 N GLY A 40 0.330 21.158 13.743 1.00 0.00 N ATOM 526 CA GLY A 40 -0.697 22.148 14.018 1.00 0.00 C ATOM 527 C GLY A 40 -1.610 22.343 12.806 1.00 0.00 C ATOM 528 O GLY A 40 -2.832 22.289 12.930 1.00 0.00 O ATOM 0 H GLY A 40 1.248 21.376 14.130 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.290 21.833 14.877 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.231 23.097 14.283 1.00 0.00 H new ATOM 532 N ILE A 41 -0.980 22.567 11.662 1.00 0.00 N ATOM 533 CA ILE A 41 -1.721 22.771 10.428 1.00 0.00 C ATOM 534 C ILE A 41 -2.806 21.699 10.307 1.00 0.00 C ATOM 535 O ILE A 41 -3.979 22.017 10.117 1.00 0.00 O ATOM 536 CB ILE A 41 -0.767 22.818 9.233 1.00 0.00 C ATOM 537 CG1 ILE A 41 0.259 23.941 9.394 1.00 0.00 C ATOM 538 CG2 ILE A 41 -1.541 22.932 7.918 1.00 0.00 C ATOM 539 CD1 ILE A 41 1.659 23.467 8.998 1.00 0.00 C ATOM 0 H ILE A 41 0.034 22.612 11.563 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.227 23.737 10.442 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.214 21.879 9.200 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.029 24.792 8.777 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.267 24.285 10.428 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.839 22.964 7.084 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.198 22.070 7.807 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.138 23.844 7.925 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.369 24.285 9.122 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.954 22.632 9.633 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.653 23.146 7.956 1.00 0.00 H new ATOM 551 N ALA A 42 -2.376 20.451 10.422 1.00 0.00 N ATOM 552 CA ALA A 42 -3.297 19.331 10.328 1.00 0.00 C ATOM 553 C ALA A 42 -4.376 19.471 11.403 1.00 0.00 C ATOM 554 O ALA A 42 -5.534 19.128 11.174 1.00 0.00 O ATOM 555 CB ALA A 42 -2.519 18.019 10.449 1.00 0.00 C ATOM 0 H ALA A 42 -1.402 20.191 10.579 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.797 19.325 9.359 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.210 17.179 10.379 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.786 17.955 9.645 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.006 17.987 11.410 1.00 0.00 H new ATOM 561 N ALA A 43 -3.956 19.976 12.555 1.00 0.00 N ATOM 562 CA ALA A 43 -4.872 20.165 13.667 1.00 0.00 C ATOM 563 C ALA A 43 -5.909 21.226 13.292 1.00 0.00 C ATOM 564 O ALA A 43 -7.039 21.194 13.778 1.00 0.00 O ATOM 565 CB ALA A 43 -4.081 20.540 14.921 1.00 0.00 C ATOM 0 H ALA A 43 -2.994 20.260 12.742 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.409 19.242 13.884 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.768 20.682 15.755 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.379 19.741 15.161 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.532 21.464 14.742 1.00 0.00 H new ATOM 571 N SER A 44 -5.488 22.141 12.432 1.00 0.00 N ATOM 572 CA SER A 44 -6.367 23.210 11.987 1.00 0.00 C ATOM 573 C SER A 44 -7.396 22.663 10.996 1.00 0.00 C ATOM 574 O SER A 44 -8.594 22.663 11.276 1.00 0.00 O ATOM 575 CB SER A 44 -5.569 24.349 11.348 1.00 0.00 C ATOM 576 OG SER A 44 -5.885 25.612 11.927 1.00 0.00 O ATOM 0 H SER A 44 -4.550 22.165 12.031 1.00 0.00 H new ATOM 0 HA SER A 44 -6.887 23.610 12.858 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.503 24.154 11.463 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.774 24.379 10.278 1.00 0.00 H new ATOM 0 HG SER A 44 -5.354 26.313 11.494 1.00 0.00 H new ATOM 582 N SER A 45 -6.892 22.209 9.858 1.00 0.00 N ATOM 583 CA SER A 45 -7.753 21.660 8.824 1.00 0.00 C ATOM 584 C SER A 45 -8.774 20.705 9.446 1.00 0.00 C ATOM 585 O SER A 45 -9.954 20.741 9.101 1.00 0.00 O ATOM 586 CB SER A 45 -6.935 20.938 7.752 1.00 0.00 C ATOM 587 OG SER A 45 -7.287 21.361 6.437 1.00 0.00 O ATOM 0 H SER A 45 -5.898 22.210 9.629 1.00 0.00 H new ATOM 0 HA SER A 45 -8.281 22.485 8.345 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.874 21.122 7.920 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.090 19.863 7.841 1.00 0.00 H new ATOM 0 HG SER A 45 -6.742 20.878 5.781 1.00 0.00 H new ATOM 593 N ILE A 46 -8.282 19.872 10.352 1.00 0.00 N ATOM 594 CA ILE A 46 -9.136 18.909 11.024 1.00 0.00 C ATOM 595 C ILE A 46 -10.077 19.647 11.979 1.00 0.00 C ATOM 596 O ILE A 46 -11.291 19.454 11.932 1.00 0.00 O ATOM 597 CB ILE A 46 -8.293 17.829 11.706 1.00 0.00 C ATOM 598 CG1 ILE A 46 -7.571 16.964 10.671 1.00 0.00 C ATOM 599 CG2 ILE A 46 -9.145 16.990 12.660 1.00 0.00 C ATOM 600 CD1 ILE A 46 -6.380 16.237 11.299 1.00 0.00 C ATOM 0 H ILE A 46 -7.303 19.845 10.636 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.761 18.385 10.301 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.527 18.320 12.306 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -8.266 16.236 10.252 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.227 17.588 9.846 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -8.522 16.230 13.131 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -9.574 17.635 13.427 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -9.947 16.507 12.102 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.884 15.629 10.542 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.676 16.968 11.696 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.731 15.595 12.107 1.00 0.00 H new ATOM 612 N ALA A 47 -9.481 20.478 12.821 1.00 0.00 N ATOM 613 CA ALA A 47 -10.251 21.246 13.785 1.00 0.00 C ATOM 614 C ALA A 47 -11.530 21.757 13.118 1.00 0.00 C ATOM 615 O ALA A 47 -12.634 21.444 13.562 1.00 0.00 O ATOM 616 CB ALA A 47 -9.389 22.382 14.339 1.00 0.00 C ATOM 0 H ALA A 47 -8.474 20.636 12.856 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.545 20.620 14.627 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -9.967 22.958 15.062 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.508 21.965 14.828 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.077 23.033 13.523 1.00 0.00 H new ATOM 622 N ALA A 48 -11.339 22.536 12.063 1.00 0.00 N ATOM 623 CA ALA A 48 -12.464 23.093 11.331 1.00 0.00 C ATOM 624 C ALA A 48 -13.390 21.960 10.886 1.00 0.00 C ATOM 625 O ALA A 48 -14.584 21.978 11.179 1.00 0.00 O ATOM 626 CB ALA A 48 -11.946 23.920 10.152 1.00 0.00 C ATOM 0 H ALA A 48 -10.422 22.794 11.698 1.00 0.00 H new ATOM 0 HA ALA A 48 -13.044 23.760 11.969 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -12.789 24.338 9.602 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -11.318 24.730 10.524 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -11.361 23.282 9.489 1.00 0.00 H new ATOM 632 N LYS A 49 -12.803 21.000 10.186 1.00 0.00 N ATOM 633 CA LYS A 49 -13.561 19.860 9.698 1.00 0.00 C ATOM 634 C LYS A 49 -14.598 20.340 8.681 1.00 0.00 C ATOM 635 O LYS A 49 -15.796 20.327 8.958 1.00 0.00 O ATOM 636 CB LYS A 49 -14.162 19.076 10.866 1.00 0.00 C ATOM 637 CG LYS A 49 -14.558 17.663 10.433 1.00 0.00 C ATOM 638 CD LYS A 49 -14.713 16.741 11.644 1.00 0.00 C ATOM 639 CE LYS A 49 -14.494 15.279 11.252 1.00 0.00 C ATOM 640 NZ LYS A 49 -15.443 14.402 11.973 1.00 0.00 N ATOM 0 H LYS A 49 -11.812 20.988 9.945 1.00 0.00 H new ATOM 0 HA LYS A 49 -12.905 19.161 9.179 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -13.441 19.021 11.681 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -15.037 19.601 11.249 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -15.495 17.699 9.876 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.802 17.260 9.759 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.998 17.025 12.416 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -15.708 16.861 12.072 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -14.626 15.161 10.176 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -13.470 14.984 11.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -15.281 13.413 11.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -15.298 14.502 12.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -16.418 14.674 11.733 1.00 0.00 H new ATOM 823 N ALA A 64 -10.013 9.547 -2.957 1.00 0.00 N ATOM 824 CA ALA A 64 -10.371 10.769 -3.658 1.00 0.00 C ATOM 825 C ALA A 64 -9.233 11.782 -3.524 1.00 0.00 C ATOM 826 O ALA A 64 -8.398 11.668 -2.627 1.00 0.00 O ATOM 827 CB ALA A 64 -11.695 11.303 -3.108 1.00 0.00 C ATOM 0 HA ALA A 64 -10.514 10.574 -4.721 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.964 12.219 -3.633 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.477 10.558 -3.255 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.589 11.513 -2.044 1.00 0.00 H new ATOM 833 N GLY A 65 -9.235 12.750 -4.428 1.00 0.00 N ATOM 834 CA GLY A 65 -8.213 13.783 -4.422 1.00 0.00 C ATOM 835 C GLY A 65 -6.943 13.301 -5.126 1.00 0.00 C ATOM 836 O GLY A 65 -6.843 12.135 -5.505 1.00 0.00 O ATOM 0 H GLY A 65 -9.929 12.841 -5.170 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.591 14.677 -4.918 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.980 14.063 -3.395 1.00 0.00 H new ATOM 840 N SER A 66 -6.005 14.224 -5.281 1.00 0.00 N ATOM 841 CA SER A 66 -4.746 13.908 -5.934 1.00 0.00 C ATOM 842 C SER A 66 -4.130 12.656 -5.305 1.00 0.00 C ATOM 843 O SER A 66 -3.398 11.921 -5.967 1.00 0.00 O ATOM 844 CB SER A 66 -3.769 15.082 -5.843 1.00 0.00 C ATOM 845 OG SER A 66 -3.913 15.982 -6.940 1.00 0.00 O ATOM 0 H SER A 66 -6.092 15.190 -4.966 1.00 0.00 H new ATOM 0 HA SER A 66 -4.946 13.717 -6.988 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.934 15.619 -4.909 1.00 0.00 H new ATOM 0 HB3 SER A 66 -2.747 14.703 -5.817 1.00 0.00 H new ATOM 0 HG SER A 66 -3.274 16.719 -6.845 1.00 0.00 H new ATOM 851 N LEU A 67 -4.449 12.453 -4.035 1.00 0.00 N ATOM 852 CA LEU A 67 -3.936 11.302 -3.311 1.00 0.00 C ATOM 853 C LEU A 67 -4.221 10.031 -4.113 1.00 0.00 C ATOM 854 O LEU A 67 -3.389 9.126 -4.165 1.00 0.00 O ATOM 855 CB LEU A 67 -4.499 11.271 -1.888 1.00 0.00 C ATOM 856 CG LEU A 67 -3.826 12.206 -0.880 1.00 0.00 C ATOM 857 CD1 LEU A 67 -4.847 12.769 0.110 1.00 0.00 C ATOM 858 CD2 LEU A 67 -2.666 11.504 -0.171 1.00 0.00 C ATOM 0 H LEU A 67 -5.056 13.065 -3.489 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.854 11.373 -3.200 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.559 11.520 -1.932 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.426 10.251 -1.512 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.405 13.051 -1.425 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.344 13.430 0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.609 13.329 -0.432 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.317 11.949 0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.205 12.190 0.540 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.040 10.629 0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.925 11.192 -0.907 1.00 0.00 H new ATOM 870 N VAL A 68 -5.399 10.003 -4.718 1.00 0.00 N ATOM 871 CA VAL A 68 -5.804 8.857 -5.514 1.00 0.00 C ATOM 872 C VAL A 68 -4.678 8.492 -6.484 1.00 0.00 C ATOM 873 O VAL A 68 -4.431 7.315 -6.739 1.00 0.00 O ATOM 874 CB VAL A 68 -7.129 9.153 -6.221 1.00 0.00 C ATOM 875 CG1 VAL A 68 -8.179 9.655 -5.228 1.00 0.00 C ATOM 876 CG2 VAL A 68 -6.930 10.154 -7.362 1.00 0.00 C ATOM 0 H VAL A 68 -6.086 10.756 -4.673 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.977 7.991 -4.876 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.494 8.221 -6.653 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.111 9.858 -5.756 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.352 8.895 -4.466 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.824 10.570 -4.754 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.887 10.347 -7.848 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.531 11.086 -6.963 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.230 9.742 -8.089 1.00 0.00 H new ATOM 886 N ALA A 69 -4.025 9.524 -6.998 1.00 0.00 N ATOM 887 CA ALA A 69 -2.931 9.327 -7.934 1.00 0.00 C ATOM 888 C ALA A 69 -1.867 8.438 -7.287 1.00 0.00 C ATOM 889 O ALA A 69 -1.374 7.499 -7.912 1.00 0.00 O ATOM 890 CB ALA A 69 -2.374 10.686 -8.362 1.00 0.00 C ATOM 0 H ALA A 69 -4.233 10.499 -6.784 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.281 8.821 -8.834 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.553 10.538 -9.064 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.162 11.267 -8.842 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.010 11.222 -7.486 1.00 0.00 H new ATOM 896 N ILE A 70 -1.544 8.764 -6.045 1.00 0.00 N ATOM 897 CA ILE A 70 -0.548 8.007 -5.307 1.00 0.00 C ATOM 898 C ILE A 70 -1.149 6.669 -4.871 1.00 0.00 C ATOM 899 O ILE A 70 -0.426 5.693 -4.675 1.00 0.00 O ATOM 900 CB ILE A 70 0.007 8.837 -4.148 1.00 0.00 C ATOM 901 CG1 ILE A 70 -1.021 8.964 -3.022 1.00 0.00 C ATOM 902 CG2 ILE A 70 0.494 10.203 -4.636 1.00 0.00 C ATOM 903 CD1 ILE A 70 -0.340 8.940 -1.652 1.00 0.00 C ATOM 0 H ILE A 70 -1.955 9.543 -5.530 1.00 0.00 H new ATOM 0 HA ILE A 70 0.306 7.781 -5.945 1.00 0.00 H new ATOM 0 HB ILE A 70 0.871 8.315 -3.737 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.580 9.893 -3.138 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.741 8.148 -3.088 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.884 10.773 -3.793 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.282 10.065 -5.376 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.337 10.745 -5.088 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.093 9.032 -0.870 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.198 8.000 -1.529 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.361 9.771 -1.580 1.00 0.00 H new ATOM 915 N LEU A 71 -2.467 6.666 -4.733 1.00 0.00 N ATOM 916 CA LEU A 71 -3.174 5.464 -4.324 1.00 0.00 C ATOM 917 C LEU A 71 -2.898 4.348 -5.333 1.00 0.00 C ATOM 918 O LEU A 71 -2.460 3.262 -4.958 1.00 0.00 O ATOM 919 CB LEU A 71 -4.662 5.760 -4.126 1.00 0.00 C ATOM 920 CG LEU A 71 -5.412 4.818 -3.182 1.00 0.00 C ATOM 921 CD1 LEU A 71 -6.055 5.593 -2.030 1.00 0.00 C ATOM 922 CD2 LEU A 71 -6.435 3.976 -3.947 1.00 0.00 C ATOM 0 H LEU A 71 -3.064 7.477 -4.897 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.810 5.117 -3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.763 6.777 -3.748 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.151 5.732 -5.100 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.690 4.129 -2.743 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.582 4.900 -1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.281 6.112 -1.464 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.761 6.321 -2.430 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.954 3.315 -3.253 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.157 4.633 -4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.923 3.379 -4.702 1.00 0.00 H new ATOM 934 N GLN A 72 -3.167 4.654 -6.594 1.00 0.00 N ATOM 935 CA GLN A 72 -2.953 3.689 -7.660 1.00 0.00 C ATOM 936 C GLN A 72 -1.455 3.474 -7.888 1.00 0.00 C ATOM 937 O GLN A 72 -0.989 2.337 -7.939 1.00 0.00 O ATOM 938 CB GLN A 72 -3.646 4.134 -8.949 1.00 0.00 C ATOM 939 CG GLN A 72 -3.643 3.012 -9.989 1.00 0.00 C ATOM 940 CD GLN A 72 -2.546 3.234 -11.033 1.00 0.00 C ATOM 941 OE1 GLN A 72 -1.911 4.274 -11.092 1.00 0.00 O ATOM 942 NE2 GLN A 72 -2.360 2.202 -11.850 1.00 0.00 N ATOM 0 H GLN A 72 -3.531 5.556 -6.902 1.00 0.00 H new ATOM 0 HA GLN A 72 -3.395 2.739 -7.359 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -4.672 4.430 -8.731 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -3.141 5.011 -9.354 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -3.490 2.053 -9.494 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -4.614 2.965 -10.481 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -2.927 1.360 -11.746 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -1.651 2.252 -12.581 1.00 0.00 H new ATOM 951 N SER A 73 -0.744 4.584 -8.021 1.00 0.00 N ATOM 952 CA SER A 73 0.691 4.531 -8.243 1.00 0.00 C ATOM 953 C SER A 73 1.358 3.689 -7.154 1.00 0.00 C ATOM 954 O SER A 73 1.820 2.579 -7.418 1.00 0.00 O ATOM 955 CB SER A 73 1.296 5.936 -8.273 1.00 0.00 C ATOM 956 OG SER A 73 1.504 6.400 -9.604 1.00 0.00 O ATOM 0 H SER A 73 -1.135 5.525 -7.979 1.00 0.00 H new ATOM 0 HA SER A 73 0.870 4.067 -9.213 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.636 6.626 -7.748 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.245 5.933 -7.738 1.00 0.00 H new ATOM 0 HG SER A 73 1.890 7.301 -9.580 1.00 0.00 H new ATOM 962 N VAL A 74 1.388 4.247 -5.953 1.00 0.00 N ATOM 963 CA VAL A 74 1.991 3.561 -4.823 1.00 0.00 C ATOM 964 C VAL A 74 1.285 2.220 -4.610 1.00 0.00 C ATOM 965 O VAL A 74 1.899 1.258 -4.153 1.00 0.00 O ATOM 966 CB VAL A 74 1.954 4.459 -3.585 1.00 0.00 C ATOM 967 CG1 VAL A 74 0.709 4.179 -2.742 1.00 0.00 C ATOM 968 CG2 VAL A 74 3.228 4.299 -2.753 1.00 0.00 C ATOM 0 H VAL A 74 1.004 5.167 -5.738 1.00 0.00 H new ATOM 0 HA VAL A 74 3.041 3.348 -5.022 1.00 0.00 H new ATOM 0 HB VAL A 74 1.903 5.494 -3.923 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.707 4.831 -1.868 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.184 4.368 -3.338 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.715 3.138 -2.418 1.00 0.00 H new ATOM 0 HG21 VAL A 74 3.176 4.948 -1.879 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.324 3.262 -2.430 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.093 4.572 -3.357 1.00 0.00 H new ATOM 978 N GLY A 75 0.005 2.201 -4.953 1.00 0.00 N ATOM 979 CA GLY A 75 -0.790 0.994 -4.805 1.00 0.00 C ATOM 980 C GLY A 75 -0.165 -0.172 -5.572 1.00 0.00 C ATOM 981 O GLY A 75 0.382 -1.095 -4.970 1.00 0.00 O ATOM 0 H GLY A 75 -0.501 3.001 -5.333 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.873 0.736 -3.749 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.801 1.173 -5.170 1.00 0.00 H new ATOM 985 N ALA A 76 -0.268 -0.094 -6.891 1.00 0.00 N ATOM 986 CA ALA A 76 0.280 -1.132 -7.747 1.00 0.00 C ATOM 987 C ALA A 76 1.807 -1.118 -7.644 1.00 0.00 C ATOM 988 O ALA A 76 2.414 -2.106 -7.234 1.00 0.00 O ATOM 989 CB ALA A 76 -0.209 -0.922 -9.182 1.00 0.00 C ATOM 0 H ALA A 76 -0.723 0.672 -7.387 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.064 -2.115 -7.426 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.202 -1.701 -9.824 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -1.298 -0.969 -9.206 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.120 0.054 -9.539 1.00 0.00 H new ATOM 995 N ALA A 77 2.384 0.013 -8.023 1.00 0.00 N ATOM 996 CA ALA A 77 3.828 0.168 -7.979 1.00 0.00 C ATOM 997 C ALA A 77 4.360 -0.421 -6.671 1.00 0.00 C ATOM 998 O ALA A 77 5.181 -1.336 -6.686 1.00 0.00 O ATOM 999 CB ALA A 77 4.188 1.646 -8.142 1.00 0.00 C ATOM 0 H ALA A 77 1.877 0.831 -8.362 1.00 0.00 H new ATOM 0 HA ALA A 77 4.298 -0.374 -8.800 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.271 1.762 -8.109 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.813 2.008 -9.099 1.00 0.00 H new ATOM 0 HB3 ALA A 77 3.736 2.222 -7.334 1.00 0.00 H new ATOM 1005 N GLY A 78 3.869 0.128 -5.569 1.00 0.00 N ATOM 1006 CA GLY A 78 4.284 -0.332 -4.255 1.00 0.00 C ATOM 1007 C GLY A 78 4.166 -1.853 -4.143 1.00 0.00 C ATOM 1008 O GLY A 78 5.175 -2.556 -4.106 1.00 0.00 O ATOM 0 H GLY A 78 3.188 0.887 -5.560 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.314 -0.029 -4.069 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.669 0.141 -3.489 1.00 0.00 H new ATOM 1012 N LEU A 79 2.926 -2.317 -4.094 1.00 0.00 N ATOM 1013 CA LEU A 79 2.663 -3.742 -3.988 1.00 0.00 C ATOM 1014 C LEU A 79 3.637 -4.504 -4.888 1.00 0.00 C ATOM 1015 O LEU A 79 4.032 -5.625 -4.572 1.00 0.00 O ATOM 1016 CB LEU A 79 1.192 -4.039 -4.283 1.00 0.00 C ATOM 1017 CG LEU A 79 0.542 -5.127 -3.426 1.00 0.00 C ATOM 1018 CD1 LEU A 79 1.236 -6.474 -3.632 1.00 0.00 C ATOM 1019 CD2 LEU A 79 0.509 -4.718 -1.952 1.00 0.00 C ATOM 0 H LEU A 79 2.092 -1.731 -4.126 1.00 0.00 H new ATOM 0 HA LEU A 79 2.835 -4.086 -2.968 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.624 -3.117 -4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.103 -4.328 -5.330 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.492 -5.245 -3.750 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.755 -7.230 -3.011 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.163 -6.764 -4.680 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.286 -6.389 -3.352 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.042 -5.509 -1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.527 -4.555 -1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.065 -3.798 -1.842 1.00 0.00 H new ATOM 1031 N SER A 80 3.996 -3.865 -5.992 1.00 0.00 N ATOM 1032 CA SER A 80 4.917 -4.469 -6.940 1.00 0.00 C ATOM 1033 C SER A 80 6.284 -4.674 -6.285 1.00 0.00 C ATOM 1034 O SER A 80 6.670 -5.802 -5.984 1.00 0.00 O ATOM 1035 CB SER A 80 5.054 -3.609 -8.198 1.00 0.00 C ATOM 1036 OG SER A 80 5.264 -4.400 -9.365 1.00 0.00 O ATOM 0 H SER A 80 3.666 -2.935 -6.251 1.00 0.00 H new ATOM 0 HA SER A 80 4.516 -5.438 -7.237 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.154 -3.007 -8.325 1.00 0.00 H new ATOM 0 HB3 SER A 80 5.887 -2.916 -8.075 1.00 0.00 H new ATOM 0 HG SER A 80 5.345 -3.815 -10.147 1.00 0.00 H new ATOM 1042 N VAL A 81 6.979 -3.564 -6.082 1.00 0.00 N ATOM 1043 CA VAL A 81 8.296 -3.607 -5.468 1.00 0.00 C ATOM 1044 C VAL A 81 8.234 -4.462 -4.200 1.00 0.00 C ATOM 1045 O VAL A 81 9.230 -5.067 -3.807 1.00 0.00 O ATOM 1046 CB VAL A 81 8.798 -2.186 -5.208 1.00 0.00 C ATOM 1047 CG1 VAL A 81 10.122 -2.205 -4.440 1.00 0.00 C ATOM 1048 CG2 VAL A 81 8.934 -1.404 -6.516 1.00 0.00 C ATOM 0 H VAL A 81 6.655 -2.630 -6.332 1.00 0.00 H new ATOM 0 HA VAL A 81 9.017 -4.073 -6.140 1.00 0.00 H new ATOM 0 HB VAL A 81 8.059 -1.677 -4.590 1.00 0.00 H new ATOM 0 HG11 VAL A 81 10.457 -1.182 -4.268 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.980 -2.706 -3.483 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.873 -2.740 -5.022 1.00 0.00 H new ATOM 0 HG21 VAL A 81 9.293 -0.397 -6.302 1.00 0.00 H new ATOM 0 HG22 VAL A 81 9.643 -1.910 -7.171 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.963 -1.347 -7.008 1.00 0.00 H new ATOM 1058 N THR A 82 7.055 -4.483 -3.596 1.00 0.00 N ATOM 1059 CA THR A 82 6.851 -5.253 -2.381 1.00 0.00 C ATOM 1060 C THR A 82 7.035 -6.747 -2.659 1.00 0.00 C ATOM 1061 O THR A 82 8.107 -7.299 -2.415 1.00 0.00 O ATOM 1062 CB THR A 82 5.468 -4.905 -1.828 1.00 0.00 C ATOM 1063 OG1 THR A 82 5.538 -3.504 -1.575 1.00 0.00 O ATOM 1064 CG2 THR A 82 5.217 -5.520 -0.449 1.00 0.00 C ATOM 0 H THR A 82 6.231 -3.979 -3.925 1.00 0.00 H new ATOM 0 HA THR A 82 7.593 -5.001 -1.624 1.00 0.00 H new ATOM 0 HB THR A 82 4.702 -5.248 -2.524 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.552 -3.018 -2.426 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.222 -5.242 -0.102 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.288 -6.606 -0.516 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.963 -5.151 0.255 1.00 0.00 H new ATOM 1072 N SER A 83 5.974 -7.357 -3.165 1.00 0.00 N ATOM 1073 CA SER A 83 6.005 -8.776 -3.479 1.00 0.00 C ATOM 1074 C SER A 83 7.305 -9.122 -4.208 1.00 0.00 C ATOM 1075 O SER A 83 7.930 -10.142 -3.919 1.00 0.00 O ATOM 1076 CB SER A 83 4.798 -9.179 -4.327 1.00 0.00 C ATOM 1077 OG SER A 83 4.628 -8.325 -5.455 1.00 0.00 O ATOM 0 H SER A 83 5.087 -6.895 -3.366 1.00 0.00 H new ATOM 0 HA SER A 83 5.960 -9.334 -2.544 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.921 -10.208 -4.666 1.00 0.00 H new ATOM 0 HB3 SER A 83 3.898 -9.151 -3.713 1.00 0.00 H new ATOM 0 HG SER A 83 4.395 -7.423 -5.150 1.00 0.00 H new ATOM 1083 N LYS A 84 7.674 -8.254 -5.138 1.00 0.00 N ATOM 1084 CA LYS A 84 8.889 -8.455 -5.910 1.00 0.00 C ATOM 1085 C LYS A 84 10.048 -8.757 -4.959 1.00 0.00 C ATOM 1086 O LYS A 84 10.717 -9.781 -5.095 1.00 0.00 O ATOM 1087 CB LYS A 84 9.143 -7.259 -6.829 1.00 0.00 C ATOM 1088 CG LYS A 84 9.987 -7.667 -8.039 1.00 0.00 C ATOM 1089 CD LYS A 84 10.011 -6.556 -9.090 1.00 0.00 C ATOM 1090 CE LYS A 84 11.225 -6.697 -10.010 1.00 0.00 C ATOM 1091 NZ LYS A 84 10.895 -7.546 -11.177 1.00 0.00 N ATOM 0 H LYS A 84 7.153 -7.410 -5.375 1.00 0.00 H new ATOM 0 HA LYS A 84 8.784 -9.317 -6.569 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.192 -6.847 -7.167 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.653 -6.471 -6.274 1.00 0.00 H new ATOM 0 HG2 LYS A 84 11.004 -7.891 -7.718 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.583 -8.579 -8.478 1.00 0.00 H new ATOM 0 HD2 LYS A 84 9.096 -6.590 -9.682 1.00 0.00 H new ATOM 0 HD3 LYS A 84 10.035 -5.584 -8.597 1.00 0.00 H new ATOM 0 HE2 LYS A 84 11.548 -5.713 -10.349 1.00 0.00 H new ATOM 0 HE3 LYS A 84 12.058 -7.134 -9.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 11.730 -7.631 -11.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 10.608 -8.490 -10.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 10.115 -7.113 -11.711 1.00 0.00 H new ATOM 1105 N VAL A 85 10.252 -7.848 -4.017 1.00 0.00 N ATOM 1106 CA VAL A 85 11.319 -8.005 -3.043 1.00 0.00 C ATOM 1107 C VAL A 85 11.082 -9.282 -2.235 1.00 0.00 C ATOM 1108 O VAL A 85 12.030 -9.902 -1.755 1.00 0.00 O ATOM 1109 CB VAL A 85 11.418 -6.753 -2.169 1.00 0.00 C ATOM 1110 CG1 VAL A 85 10.758 -6.982 -0.807 1.00 0.00 C ATOM 1111 CG2 VAL A 85 12.873 -6.312 -2.006 1.00 0.00 C ATOM 0 H VAL A 85 9.696 -7.000 -3.907 1.00 0.00 H new ATOM 0 HA VAL A 85 12.281 -8.112 -3.544 1.00 0.00 H new ATOM 0 HB VAL A 85 10.879 -5.950 -2.672 1.00 0.00 H new ATOM 0 HG11 VAL A 85 10.842 -6.077 -0.205 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.705 -7.227 -0.949 1.00 0.00 H new ATOM 0 HG13 VAL A 85 11.256 -7.806 -0.295 1.00 0.00 H new ATOM 0 HG21 VAL A 85 12.915 -5.420 -1.381 1.00 0.00 H new ATOM 0 HG22 VAL A 85 13.445 -7.112 -1.536 1.00 0.00 H new ATOM 0 HG23 VAL A 85 13.297 -6.089 -2.985 1.00 0.00 H new ATOM 1121 N ILE A 86 9.812 -9.637 -2.108 1.00 0.00 N ATOM 1122 CA ILE A 86 9.439 -10.829 -1.365 1.00 0.00 C ATOM 1123 C ILE A 86 9.788 -12.069 -2.191 1.00 0.00 C ATOM 1124 O ILE A 86 10.757 -12.766 -1.891 1.00 0.00 O ATOM 1125 CB ILE A 86 7.969 -10.762 -0.948 1.00 0.00 C ATOM 1126 CG1 ILE A 86 7.745 -9.669 0.099 1.00 0.00 C ATOM 1127 CG2 ILE A 86 7.472 -12.127 -0.467 1.00 0.00 C ATOM 1128 CD1 ILE A 86 6.267 -9.574 0.485 1.00 0.00 C ATOM 0 H ILE A 86 9.028 -9.120 -2.507 1.00 0.00 H new ATOM 0 HA ILE A 86 10.007 -10.893 -0.437 1.00 0.00 H new ATOM 0 HB ILE A 86 7.378 -10.495 -1.824 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.343 -9.881 0.985 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.085 -8.710 -0.293 1.00 0.00 H new ATOM 0 HG21 ILE A 86 6.424 -12.051 -0.177 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.574 -12.855 -1.271 1.00 0.00 H new ATOM 0 HG23 ILE A 86 8.064 -12.448 0.390 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.135 -8.790 1.230 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.675 -9.338 -0.399 1.00 0.00 H new ATOM 0 HD13 ILE A 86 5.937 -10.527 0.899 1.00 0.00 H new ATOM 1140 N GLY A 87 8.980 -12.306 -3.214 1.00 0.00 N ATOM 1141 CA GLY A 87 9.192 -13.450 -4.085 1.00 0.00 C ATOM 1142 C GLY A 87 7.876 -13.907 -4.719 1.00 0.00 C ATOM 1143 O GLY A 87 7.398 -15.005 -4.441 1.00 0.00 O ATOM 0 H GLY A 87 8.178 -11.726 -3.459 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.905 -13.189 -4.867 1.00 0.00 H new ATOM 0 HA3 GLY A 87 9.629 -14.270 -3.515 1.00 0.00 H new ATOM 1147 N GLY A 88 7.329 -13.040 -5.559 1.00 0.00 N ATOM 1148 CA GLY A 88 6.079 -13.341 -6.235 1.00 0.00 C ATOM 1149 C GLY A 88 5.095 -14.029 -5.287 1.00 0.00 C ATOM 1150 O GLY A 88 4.411 -13.367 -4.508 1.00 0.00 O ATOM 0 H GLY A 88 7.729 -12.130 -5.786 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.638 -12.421 -6.618 1.00 0.00 H new ATOM 0 HA3 GLY A 88 6.272 -13.984 -7.094 1.00 0.00 H new ATOM 1154 N PHE A 89 5.055 -15.350 -5.384 1.00 0.00 N ATOM 1155 CA PHE A 89 4.166 -16.136 -4.545 1.00 0.00 C ATOM 1156 C PHE A 89 4.375 -17.634 -4.777 1.00 0.00 C ATOM 1157 O PHE A 89 3.830 -18.202 -5.722 1.00 0.00 O ATOM 1158 CB PHE A 89 2.735 -15.766 -4.940 1.00 0.00 C ATOM 1159 CG PHE A 89 2.382 -16.105 -6.390 1.00 0.00 C ATOM 1160 CD1 PHE A 89 2.997 -15.450 -7.411 1.00 0.00 C ATOM 1161 CD2 PHE A 89 1.454 -17.063 -6.657 1.00 0.00 C ATOM 1162 CE1 PHE A 89 2.669 -15.765 -8.756 1.00 0.00 C ATOM 1163 CE2 PHE A 89 1.126 -17.378 -8.003 1.00 0.00 C ATOM 1164 CZ PHE A 89 1.741 -16.723 -9.024 1.00 0.00 C ATOM 0 H PHE A 89 5.624 -15.896 -6.031 1.00 0.00 H new ATOM 0 HA PHE A 89 4.365 -15.927 -3.494 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.041 -16.283 -4.277 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.590 -14.697 -4.782 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.735 -14.690 -7.199 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.967 -17.584 -5.846 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.156 -15.244 -9.567 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.388 -18.138 -8.215 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.493 -16.963 -10.047 1.00 0.00 H new ATOM 1174 N ALA A 90 5.166 -18.231 -3.897 1.00 0.00 N ATOM 1175 CA ALA A 90 5.454 -19.652 -3.994 1.00 0.00 C ATOM 1176 C ALA A 90 6.110 -20.124 -2.695 1.00 0.00 C ATOM 1177 O ALA A 90 5.445 -20.696 -1.832 1.00 0.00 O ATOM 1178 CB ALA A 90 6.333 -19.913 -5.219 1.00 0.00 C ATOM 0 H ALA A 90 5.616 -17.757 -3.114 1.00 0.00 H new ATOM 0 HA ALA A 90 4.534 -20.222 -4.126 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.549 -20.979 -5.291 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.810 -19.587 -6.118 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.267 -19.360 -5.121 1.00 0.00 H new ATOM 1184 N GLY A 91 7.406 -19.868 -2.596 1.00 0.00 N ATOM 1185 CA GLY A 91 8.159 -20.260 -1.417 1.00 0.00 C ATOM 1186 C GLY A 91 9.303 -19.281 -1.146 1.00 0.00 C ATOM 1187 O GLY A 91 9.496 -18.324 -1.894 1.00 0.00 O ATOM 0 H GLY A 91 7.954 -19.394 -3.314 1.00 0.00 H new ATOM 0 HA2 GLY A 91 7.495 -20.297 -0.553 1.00 0.00 H new ATOM 0 HA3 GLY A 91 8.560 -21.264 -1.555 1.00 0.00 H new ATOM 1191 N THR A 92 10.033 -19.555 -0.075 1.00 0.00 N ATOM 1192 CA THR A 92 11.153 -18.711 0.303 1.00 0.00 C ATOM 1193 C THR A 92 10.812 -17.237 0.075 1.00 0.00 C ATOM 1194 O THR A 92 11.499 -16.546 -0.675 1.00 0.00 O ATOM 1195 CB THR A 92 12.383 -19.178 -0.479 1.00 0.00 C ATOM 1196 OG1 THR A 92 11.989 -19.065 -1.844 1.00 0.00 O ATOM 1197 CG2 THR A 92 12.662 -20.671 -0.294 1.00 0.00 C ATOM 0 H THR A 92 9.870 -20.350 0.543 1.00 0.00 H new ATOM 0 HA THR A 92 11.373 -18.800 1.367 1.00 0.00 H new ATOM 0 HB THR A 92 13.254 -18.604 -0.163 1.00 0.00 H new ATOM 0 HG1 THR A 92 11.554 -18.199 -1.988 1.00 0.00 H new ATOM 0 HG21 THR A 92 13.544 -20.950 -0.870 1.00 0.00 H new ATOM 0 HG22 THR A 92 12.836 -20.881 0.761 1.00 0.00 H new ATOM 0 HG23 THR A 92 11.805 -21.247 -0.642 1.00 0.00 H new