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 43:sc= 0.2 USER MOD Single : A 38 SER OG : rot 76:sc= 0.0118 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) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 75:sc= 0.529 USER MOD Single : A 82 THR OG1 : rot 67:sc= 0.901 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 -11.323 -13.232 2.344 1.00 0.00 N ATOM 117 CA SER A 9 -10.875 -12.784 3.652 1.00 0.00 C ATOM 118 C SER A 9 -11.779 -11.658 4.157 1.00 0.00 C ATOM 119 O SER A 9 -11.660 -10.517 3.715 1.00 0.00 O ATOM 120 CB SER A 9 -9.419 -12.316 3.605 1.00 0.00 C ATOM 121 OG SER A 9 -8.540 -13.239 4.241 1.00 0.00 O ATOM 0 HA SER A 9 -10.935 -13.626 4.341 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.115 -12.182 2.567 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.335 -11.343 4.089 1.00 0.00 H new ATOM 0 HG SER A 9 -7.620 -12.905 4.188 1.00 0.00 H new ATOM 127 N GLY A 10 -12.662 -12.019 5.076 1.00 0.00 N ATOM 128 CA GLY A 10 -13.586 -11.054 5.647 1.00 0.00 C ATOM 129 C GLY A 10 -12.954 -10.326 6.835 1.00 0.00 C ATOM 130 O GLY A 10 -12.471 -9.203 6.694 1.00 0.00 O ATOM 0 H GLY A 10 -12.757 -12.967 5.440 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -13.878 -10.330 4.886 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -14.495 -11.562 5.969 1.00 0.00 H new ATOM 134 N ARG A 11 -12.978 -10.995 7.978 1.00 0.00 N ATOM 135 CA ARG A 11 -12.413 -10.425 9.190 1.00 0.00 C ATOM 136 C ARG A 11 -10.889 -10.566 9.182 1.00 0.00 C ATOM 137 O ARG A 11 -10.171 -9.582 9.352 1.00 0.00 O ATOM 138 CB ARG A 11 -12.975 -11.113 10.435 1.00 0.00 C ATOM 139 CG ARG A 11 -13.549 -10.088 11.416 1.00 0.00 C ATOM 140 CD ARG A 11 -13.423 -10.579 12.859 1.00 0.00 C ATOM 141 NE ARG A 11 -14.208 -9.707 13.761 1.00 0.00 N ATOM 142 CZ ARG A 11 -14.352 -9.922 15.086 1.00 0.00 C ATOM 143 NH1 ARG A 11 -13.763 -10.985 15.676 1.00 0.00 N ATOM 144 NH2 ARG A 11 -15.076 -9.078 15.797 1.00 0.00 N ATOM 0 H ARG A 11 -13.379 -11.926 8.091 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.684 -9.370 9.218 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -13.753 -11.819 10.145 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.188 -11.688 10.923 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.025 -9.139 11.304 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -14.597 -9.902 11.182 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -13.778 -11.607 12.934 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.376 -10.580 13.161 1.00 0.00 H new ATOM 0 HE ARG A 11 -14.669 -8.892 13.356 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.204 -11.632 15.120 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.877 -11.140 16.678 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -15.517 -8.277 15.344 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.195 -9.226 16.799 1.00 0.00 H new ATOM 158 N ALA A 12 -10.441 -11.797 8.983 1.00 0.00 N ATOM 159 CA ALA A 12 -9.016 -12.078 8.951 1.00 0.00 C ATOM 160 C ALA A 12 -8.301 -10.978 8.165 1.00 0.00 C ATOM 161 O ALA A 12 -7.214 -10.544 8.546 1.00 0.00 O ATOM 162 CB ALA A 12 -8.784 -13.467 8.354 1.00 0.00 C ATOM 0 H ALA A 12 -11.040 -12.611 8.842 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.603 -12.083 9.960 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.715 -13.679 8.330 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.288 -14.215 8.966 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.183 -13.499 7.340 1.00 0.00 H new ATOM 168 N ALA A 13 -8.939 -10.558 7.083 1.00 0.00 N ATOM 169 CA ALA A 13 -8.377 -9.516 6.240 1.00 0.00 C ATOM 170 C ALA A 13 -7.783 -8.417 7.122 1.00 0.00 C ATOM 171 O ALA A 13 -6.601 -8.095 7.008 1.00 0.00 O ATOM 172 CB ALA A 13 -9.457 -8.986 5.295 1.00 0.00 C ATOM 0 H ALA A 13 -9.840 -10.920 6.770 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.571 -9.914 5.623 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.036 -8.204 4.663 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.825 -9.800 4.670 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.281 -8.576 5.878 1.00 0.00 H new ATOM 178 N VAL A 14 -8.629 -7.871 7.983 1.00 0.00 N ATOM 179 CA VAL A 14 -8.203 -6.814 8.885 1.00 0.00 C ATOM 180 C VAL A 14 -6.863 -7.198 9.515 1.00 0.00 C ATOM 181 O VAL A 14 -5.933 -6.394 9.544 1.00 0.00 O ATOM 182 CB VAL A 14 -9.294 -6.538 9.921 1.00 0.00 C ATOM 183 CG1 VAL A 14 -8.802 -5.558 10.987 1.00 0.00 C ATOM 184 CG2 VAL A 14 -10.570 -6.025 9.250 1.00 0.00 C ATOM 0 H VAL A 14 -9.608 -8.141 8.075 1.00 0.00 H new ATOM 0 HA VAL A 14 -8.051 -5.883 8.338 1.00 0.00 H new ATOM 0 HB VAL A 14 -9.532 -7.479 10.416 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.597 -5.379 11.711 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.935 -5.979 11.496 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -8.523 -4.616 10.514 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -11.330 -5.837 10.009 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.353 -5.100 8.716 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.937 -6.773 8.547 1.00 0.00 H new ATOM 194 N ALA A 15 -6.806 -8.428 10.005 1.00 0.00 N ATOM 195 CA ALA A 15 -5.596 -8.928 10.634 1.00 0.00 C ATOM 196 C ALA A 15 -4.417 -8.751 9.674 1.00 0.00 C ATOM 197 O ALA A 15 -3.348 -8.295 10.076 1.00 0.00 O ATOM 198 CB ALA A 15 -5.799 -10.388 11.044 1.00 0.00 C ATOM 0 H ALA A 15 -7.579 -9.093 9.979 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.373 -8.363 11.539 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.891 -10.763 11.516 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.629 -10.456 11.748 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.022 -10.986 10.161 1.00 0.00 H new ATOM 204 N ALA A 16 -4.653 -9.121 8.424 1.00 0.00 N ATOM 205 CA ALA A 16 -3.625 -9.009 7.404 1.00 0.00 C ATOM 206 C ALA A 16 -3.237 -7.539 7.236 1.00 0.00 C ATOM 207 O ALA A 16 -2.098 -7.229 6.890 1.00 0.00 O ATOM 208 CB ALA A 16 -4.128 -9.632 6.100 1.00 0.00 C ATOM 0 H ALA A 16 -5.541 -9.499 8.095 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.729 -9.555 7.701 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.356 -9.548 5.335 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.361 -10.684 6.266 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.025 -9.109 5.769 1.00 0.00 H new ATOM 214 N VAL A 17 -4.207 -6.672 7.488 1.00 0.00 N ATOM 215 CA VAL A 17 -3.981 -5.241 7.369 1.00 0.00 C ATOM 216 C VAL A 17 -3.278 -4.734 8.630 1.00 0.00 C ATOM 217 O VAL A 17 -2.657 -3.672 8.614 1.00 0.00 O ATOM 218 CB VAL A 17 -5.304 -4.524 7.092 1.00 0.00 C ATOM 219 CG1 VAL A 17 -5.099 -3.011 7.003 1.00 0.00 C ATOM 220 CG2 VAL A 17 -5.965 -5.064 5.823 1.00 0.00 C ATOM 0 H VAL A 17 -5.151 -6.933 7.774 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.327 -5.026 6.524 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.974 -4.722 7.928 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.055 -2.525 6.806 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.693 -2.643 7.945 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.403 -2.785 6.195 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.903 -4.537 5.649 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.300 -4.911 4.973 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.163 -6.129 5.941 1.00 0.00 H new ATOM 230 N VAL A 18 -3.400 -5.516 9.692 1.00 0.00 N ATOM 231 CA VAL A 18 -2.784 -5.159 10.959 1.00 0.00 C ATOM 232 C VAL A 18 -1.275 -5.400 10.873 1.00 0.00 C ATOM 233 O VAL A 18 -0.484 -4.479 11.068 1.00 0.00 O ATOM 234 CB VAL A 18 -3.449 -5.932 12.100 1.00 0.00 C ATOM 235 CG1 VAL A 18 -2.728 -5.680 13.426 1.00 0.00 C ATOM 236 CG2 VAL A 18 -4.934 -5.580 12.208 1.00 0.00 C ATOM 0 H VAL A 18 -3.916 -6.396 9.702 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.933 -4.100 11.172 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.372 -6.995 11.874 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.221 -6.241 14.220 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.690 -6.003 13.343 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.759 -4.616 13.660 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.383 -6.143 13.026 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.042 -4.512 12.400 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.437 -5.834 11.275 1.00 0.00 H new ATOM 246 N GLY A 19 -0.922 -6.644 10.582 1.00 0.00 N ATOM 247 CA GLY A 19 0.477 -7.017 10.468 1.00 0.00 C ATOM 248 C GLY A 19 1.234 -6.041 9.566 1.00 0.00 C ATOM 249 O GLY A 19 1.004 -6.000 8.358 1.00 0.00 O ATOM 0 H GLY A 19 -1.581 -7.406 10.422 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.934 -7.033 11.457 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.556 -8.026 10.064 1.00 0.00 H new ATOM 253 N GLY A 20 2.121 -5.278 10.187 1.00 0.00 N ATOM 254 CA GLY A 20 2.913 -4.304 9.454 1.00 0.00 C ATOM 255 C GLY A 20 2.515 -2.876 9.834 1.00 0.00 C ATOM 256 O GLY A 20 2.709 -1.945 9.054 1.00 0.00 O ATOM 0 H GLY A 20 2.309 -5.314 11.189 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.971 -4.458 9.664 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.776 -4.451 8.383 1.00 0.00 H new ATOM 260 N VAL A 21 1.966 -2.748 11.033 1.00 0.00 N ATOM 261 CA VAL A 21 1.539 -1.450 11.526 1.00 0.00 C ATOM 262 C VAL A 21 2.645 -0.424 11.271 1.00 0.00 C ATOM 263 O VAL A 21 2.391 0.642 10.711 1.00 0.00 O ATOM 264 CB VAL A 21 1.148 -1.553 13.002 1.00 0.00 C ATOM 265 CG1 VAL A 21 2.362 -1.896 13.868 1.00 0.00 C ATOM 266 CG2 VAL A 21 0.477 -0.265 13.483 1.00 0.00 C ATOM 0 H VAL A 21 1.807 -3.522 11.678 1.00 0.00 H new ATOM 0 HA VAL A 21 0.651 -1.112 10.992 1.00 0.00 H new ATOM 0 HB VAL A 21 0.426 -2.363 13.102 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.057 -1.963 14.912 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.778 -2.852 13.549 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.117 -1.118 13.760 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.209 -0.365 14.535 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.166 0.571 13.362 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.423 -0.082 12.895 1.00 0.00 H new ATOM 276 N VAL A 22 3.848 -0.781 11.695 1.00 0.00 N ATOM 277 CA VAL A 22 4.994 0.096 11.519 1.00 0.00 C ATOM 278 C VAL A 22 5.065 0.550 10.060 1.00 0.00 C ATOM 279 O VAL A 22 5.184 1.742 9.782 1.00 0.00 O ATOM 280 CB VAL A 22 6.268 -0.608 11.989 1.00 0.00 C ATOM 281 CG1 VAL A 22 7.514 0.178 11.573 1.00 0.00 C ATOM 282 CG2 VAL A 22 6.244 -0.835 13.502 1.00 0.00 C ATOM 0 H VAL A 22 4.055 -1.665 12.160 1.00 0.00 H new ATOM 0 HA VAL A 22 4.888 0.991 12.132 1.00 0.00 H new ATOM 0 HB VAL A 22 6.309 -1.584 11.505 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.406 -0.344 11.919 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.543 0.265 10.487 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.481 1.173 12.016 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.161 -1.337 13.809 1.00 0.00 H new ATOM 0 HG22 VAL A 22 6.167 0.125 14.013 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.386 -1.455 13.763 1.00 0.00 H new ATOM 292 N ALA A 23 4.988 -0.425 9.166 1.00 0.00 N ATOM 293 CA ALA A 23 5.042 -0.141 7.742 1.00 0.00 C ATOM 294 C ALA A 23 3.935 0.852 7.382 1.00 0.00 C ATOM 295 O ALA A 23 4.114 1.694 6.503 1.00 0.00 O ATOM 296 CB ALA A 23 4.929 -1.449 6.956 1.00 0.00 C ATOM 0 H ALA A 23 4.889 -1.413 9.400 1.00 0.00 H new ATOM 0 HA ALA A 23 5.995 0.317 7.478 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.969 -1.236 5.888 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.754 -2.108 7.226 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.983 -1.936 7.193 1.00 0.00 H new ATOM 302 N VAL A 24 2.817 0.722 8.080 1.00 0.00 N ATOM 303 CA VAL A 24 1.681 1.597 7.845 1.00 0.00 C ATOM 304 C VAL A 24 2.008 2.999 8.366 1.00 0.00 C ATOM 305 O VAL A 24 1.508 3.992 7.840 1.00 0.00 O ATOM 306 CB VAL A 24 0.422 1.003 8.479 1.00 0.00 C ATOM 307 CG1 VAL A 24 -0.810 1.847 8.145 1.00 0.00 C ATOM 308 CG2 VAL A 24 0.224 -0.451 8.045 1.00 0.00 C ATOM 0 H VAL A 24 2.673 0.023 8.809 1.00 0.00 H new ATOM 0 HA VAL A 24 1.480 1.684 6.777 1.00 0.00 H new ATOM 0 HB VAL A 24 0.554 1.015 9.561 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.691 1.403 8.608 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.672 2.859 8.525 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.946 1.881 7.064 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.678 -0.850 8.510 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.124 -0.497 6.961 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.085 -1.044 8.355 1.00 0.00 H new ATOM 318 N GLY A 25 2.844 3.034 9.393 1.00 0.00 N ATOM 319 CA GLY A 25 3.243 4.297 9.990 1.00 0.00 C ATOM 320 C GLY A 25 4.148 5.089 9.045 1.00 0.00 C ATOM 321 O GLY A 25 3.857 6.239 8.719 1.00 0.00 O ATOM 0 H GLY A 25 3.256 2.208 9.827 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.358 4.886 10.230 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.765 4.111 10.928 1.00 0.00 H new ATOM 325 N THR A 26 5.227 4.442 8.630 1.00 0.00 N ATOM 326 CA THR A 26 6.177 5.072 7.729 1.00 0.00 C ATOM 327 C THR A 26 5.491 5.460 6.418 1.00 0.00 C ATOM 328 O THR A 26 5.654 6.580 5.935 1.00 0.00 O ATOM 329 CB THR A 26 7.354 4.114 7.538 1.00 0.00 C ATOM 330 OG1 THR A 26 8.123 4.267 8.727 1.00 0.00 O ATOM 331 CG2 THR A 26 8.300 4.564 6.422 1.00 0.00 C ATOM 0 H THR A 26 5.465 3.488 8.901 1.00 0.00 H new ATOM 0 HA THR A 26 6.561 6.003 8.147 1.00 0.00 H new ATOM 0 HB THR A 26 6.977 3.116 7.314 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.906 3.679 8.688 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.118 3.849 6.328 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.753 4.616 5.480 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.704 5.548 6.662 1.00 0.00 H new ATOM 339 N VAL A 27 4.737 4.514 5.878 1.00 0.00 N ATOM 340 CA VAL A 27 4.025 4.743 4.633 1.00 0.00 C ATOM 341 C VAL A 27 3.141 5.983 4.776 1.00 0.00 C ATOM 342 O VAL A 27 3.288 6.944 4.022 1.00 0.00 O ATOM 343 CB VAL A 27 3.238 3.490 4.242 1.00 0.00 C ATOM 344 CG1 VAL A 27 2.061 3.844 3.330 1.00 0.00 C ATOM 345 CG2 VAL A 27 4.149 2.453 3.583 1.00 0.00 C ATOM 0 H VAL A 27 4.604 3.586 6.281 1.00 0.00 H new ATOM 0 HA VAL A 27 4.727 4.936 3.822 1.00 0.00 H new ATOM 0 HB VAL A 27 2.835 3.050 5.154 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.519 2.936 3.067 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.391 4.529 3.850 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.434 4.319 2.423 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.564 1.573 3.315 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.595 2.879 2.685 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.938 2.167 4.279 1.00 0.00 H new ATOM 355 N LEU A 28 2.244 5.922 5.749 1.00 0.00 N ATOM 356 CA LEU A 28 1.336 7.029 6.000 1.00 0.00 C ATOM 357 C LEU A 28 2.139 8.328 6.101 1.00 0.00 C ATOM 358 O LEU A 28 1.958 9.238 5.294 1.00 0.00 O ATOM 359 CB LEU A 28 0.471 6.744 7.229 1.00 0.00 C ATOM 360 CG LEU A 28 -0.837 7.532 7.326 1.00 0.00 C ATOM 361 CD1 LEU A 28 -1.992 6.627 7.759 1.00 0.00 C ATOM 362 CD2 LEU A 28 -0.681 8.742 8.249 1.00 0.00 C ATOM 0 H LEU A 28 2.126 5.124 6.373 1.00 0.00 H new ATOM 0 HA LEU A 28 0.640 7.147 5.169 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.233 5.680 7.242 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.063 6.950 8.121 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.080 7.912 6.334 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.910 7.212 7.820 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.120 5.827 7.030 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.771 6.197 8.736 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.625 9.285 8.300 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.402 8.405 9.247 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.095 9.400 7.858 1.00 0.00 H new ATOM 374 N VAL A 29 3.009 8.372 7.100 1.00 0.00 N ATOM 375 CA VAL A 29 3.840 9.544 7.317 1.00 0.00 C ATOM 376 C VAL A 29 4.360 10.052 5.970 1.00 0.00 C ATOM 377 O VAL A 29 4.477 11.258 5.761 1.00 0.00 O ATOM 378 CB VAL A 29 4.961 9.215 8.305 1.00 0.00 C ATOM 379 CG1 VAL A 29 5.980 10.354 8.377 1.00 0.00 C ATOM 380 CG2 VAL A 29 4.395 8.897 9.690 1.00 0.00 C ATOM 0 H VAL A 29 3.156 7.615 7.768 1.00 0.00 H new ATOM 0 HA VAL A 29 3.256 10.348 7.764 1.00 0.00 H new ATOM 0 HB VAL A 29 5.477 8.326 7.942 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.766 10.095 9.086 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.418 10.513 7.392 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.483 11.267 8.704 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.213 8.667 10.373 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.842 9.759 10.064 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.727 8.039 9.622 1.00 0.00 H new ATOM 390 N ALA A 30 4.657 9.106 5.092 1.00 0.00 N ATOM 391 CA ALA A 30 5.162 9.442 3.771 1.00 0.00 C ATOM 392 C ALA A 30 4.095 10.230 3.008 1.00 0.00 C ATOM 393 O ALA A 30 4.350 11.343 2.550 1.00 0.00 O ATOM 394 CB ALA A 30 5.575 8.163 3.041 1.00 0.00 C ATOM 0 H ALA A 30 4.558 8.106 5.269 1.00 0.00 H new ATOM 0 HA ALA A 30 6.047 10.073 3.848 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.954 8.415 2.051 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.355 7.655 3.609 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.711 7.505 2.943 1.00 0.00 H new ATOM 400 N LEU A 31 2.923 9.622 2.895 1.00 0.00 N ATOM 401 CA LEU A 31 1.817 10.253 2.196 1.00 0.00 C ATOM 402 C LEU A 31 1.441 11.551 2.912 1.00 0.00 C ATOM 403 O LEU A 31 1.670 12.641 2.390 1.00 0.00 O ATOM 404 CB LEU A 31 0.652 9.274 2.043 1.00 0.00 C ATOM 405 CG LEU A 31 0.235 8.945 0.608 1.00 0.00 C ATOM 406 CD1 LEU A 31 -0.152 10.213 -0.155 1.00 0.00 C ATOM 407 CD2 LEU A 31 1.329 8.153 -0.112 1.00 0.00 C ATOM 0 H LEU A 31 2.716 8.699 3.276 1.00 0.00 H new ATOM 0 HA LEU A 31 2.111 10.523 1.182 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.917 8.344 2.545 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.212 9.684 2.566 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.650 8.310 0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.444 9.951 -1.172 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.987 10.700 0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.699 10.893 -0.186 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.008 7.932 -1.130 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.246 8.742 -0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.514 7.220 0.421 1.00 0.00 H new ATOM 419 N SER A 32 0.869 11.392 4.096 1.00 0.00 N ATOM 420 CA SER A 32 0.458 12.538 4.889 1.00 0.00 C ATOM 421 C SER A 32 1.546 13.614 4.856 1.00 0.00 C ATOM 422 O SER A 32 1.339 14.693 4.303 1.00 0.00 O ATOM 423 CB SER A 32 0.159 12.130 6.333 1.00 0.00 C ATOM 424 OG SER A 32 -1.096 12.635 6.782 1.00 0.00 O ATOM 0 H SER A 32 0.680 10.486 4.526 1.00 0.00 H new ATOM 0 HA SER A 32 -0.458 12.942 4.457 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.161 11.043 6.410 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.952 12.497 6.985 1.00 0.00 H new ATOM 0 HG SER A 32 -1.251 12.351 7.707 1.00 0.00 H new ATOM 430 N ALA A 33 2.680 13.283 5.456 1.00 0.00 N ATOM 431 CA ALA A 33 3.800 14.207 5.502 1.00 0.00 C ATOM 432 C ALA A 33 4.469 14.260 4.127 1.00 0.00 C ATOM 433 O ALA A 33 3.944 13.716 3.157 1.00 0.00 O ATOM 434 CB ALA A 33 4.769 13.780 6.606 1.00 0.00 C ATOM 0 H ALA A 33 2.847 12.387 5.914 1.00 0.00 H new ATOM 0 HA ALA A 33 3.457 15.214 5.741 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.609 14.473 6.641 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.253 13.787 7.566 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.136 12.775 6.399 1.00 0.00 H new ATOM 440 N MET A 34 5.617 14.920 4.088 1.00 0.00 N ATOM 441 CA MET A 34 6.363 15.051 2.849 1.00 0.00 C ATOM 442 C MET A 34 7.678 15.799 3.077 1.00 0.00 C ATOM 443 O MET A 34 8.710 15.431 2.517 1.00 0.00 O ATOM 444 CB MET A 34 5.518 15.807 1.821 1.00 0.00 C ATOM 445 CG MET A 34 5.875 15.380 0.396 1.00 0.00 C ATOM 446 SD MET A 34 5.153 13.788 0.036 1.00 0.00 S ATOM 447 CE MET A 34 3.673 14.306 -0.818 1.00 0.00 C ATOM 0 H MET A 34 6.049 15.370 4.895 1.00 0.00 H new ATOM 0 HA MET A 34 6.594 14.052 2.479 1.00 0.00 H new ATOM 0 HB2 MET A 34 4.460 15.620 2.006 1.00 0.00 H new ATOM 0 HB3 MET A 34 5.676 16.880 1.933 1.00 0.00 H new ATOM 0 HG2 MET A 34 5.513 16.122 -0.316 1.00 0.00 H new ATOM 0 HG3 MET A 34 6.958 15.331 0.283 1.00 0.00 H new ATOM 0 HE1 MET A 34 3.099 13.429 -1.116 1.00 0.00 H new ATOM 0 HE2 MET A 34 3.069 14.927 -0.156 1.00 0.00 H new ATOM 0 HE3 MET A 34 3.946 14.879 -1.704 1.00 0.00 H new ATOM 457 N GLY A 35 7.599 16.834 3.899 1.00 0.00 N ATOM 458 CA GLY A 35 8.770 17.636 4.208 1.00 0.00 C ATOM 459 C GLY A 35 8.783 18.043 5.684 1.00 0.00 C ATOM 460 O GLY A 35 9.591 17.539 6.463 1.00 0.00 O ATOM 0 H GLY A 35 6.741 17.136 4.361 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.673 17.072 3.975 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.780 18.528 3.581 1.00 0.00 H new ATOM 464 N PHE A 36 7.878 18.950 6.022 1.00 0.00 N ATOM 465 CA PHE A 36 7.775 19.429 7.390 1.00 0.00 C ATOM 466 C PHE A 36 6.436 20.130 7.625 1.00 0.00 C ATOM 467 O PHE A 36 6.375 21.145 8.317 1.00 0.00 O ATOM 468 CB PHE A 36 8.908 20.437 7.596 1.00 0.00 C ATOM 469 CG PHE A 36 8.920 21.577 6.576 1.00 0.00 C ATOM 470 CD1 PHE A 36 9.400 21.363 5.322 1.00 0.00 C ATOM 471 CD2 PHE A 36 8.451 22.806 6.923 1.00 0.00 C ATOM 472 CE1 PHE A 36 9.411 22.421 4.375 1.00 0.00 C ATOM 473 CE2 PHE A 36 8.462 23.864 5.977 1.00 0.00 C ATOM 474 CZ PHE A 36 8.942 23.649 4.722 1.00 0.00 C ATOM 0 H PHE A 36 7.210 19.365 5.373 1.00 0.00 H new ATOM 0 HA PHE A 36 7.843 18.592 8.085 1.00 0.00 H new ATOM 0 HB2 PHE A 36 8.827 20.860 8.597 1.00 0.00 H new ATOM 0 HB3 PHE A 36 9.861 19.911 7.549 1.00 0.00 H new ATOM 0 HD1 PHE A 36 9.773 20.388 5.046 1.00 0.00 H new ATOM 0 HD2 PHE A 36 8.070 22.977 7.919 1.00 0.00 H new ATOM 0 HE1 PHE A 36 9.792 22.250 3.379 1.00 0.00 H new ATOM 0 HE2 PHE A 36 8.090 24.839 6.253 1.00 0.00 H new ATOM 0 HZ PHE A 36 8.950 24.454 4.002 1.00 0.00 H new ATOM 484 N THR A 37 5.394 19.559 7.037 1.00 0.00 N ATOM 485 CA THR A 37 4.059 20.116 7.175 1.00 0.00 C ATOM 486 C THR A 37 3.051 19.011 7.493 1.00 0.00 C ATOM 487 O THR A 37 2.935 18.038 6.750 1.00 0.00 O ATOM 488 CB THR A 37 3.733 20.885 5.893 1.00 0.00 C ATOM 489 OG1 THR A 37 4.047 19.967 4.848 1.00 0.00 O ATOM 490 CG2 THR A 37 4.686 22.059 5.655 1.00 0.00 C ATOM 0 H THR A 37 5.448 18.717 6.464 1.00 0.00 H new ATOM 0 HA THR A 37 4.005 20.812 8.012 1.00 0.00 H new ATOM 0 HB THR A 37 2.708 21.253 5.942 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.722 19.074 5.088 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.410 22.570 4.733 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.620 22.756 6.490 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.707 21.688 5.572 1.00 0.00 H new ATOM 498 N SER A 38 2.346 19.198 8.600 1.00 0.00 N ATOM 499 CA SER A 38 1.351 18.229 9.026 1.00 0.00 C ATOM 500 C SER A 38 0.933 18.510 10.471 1.00 0.00 C ATOM 501 O SER A 38 -0.211 18.260 10.849 1.00 0.00 O ATOM 502 CB SER A 38 1.882 16.800 8.896 1.00 0.00 C ATOM 503 OG SER A 38 1.135 16.037 7.953 1.00 0.00 O ATOM 0 H SER A 38 2.445 20.006 9.214 1.00 0.00 H new ATOM 0 HA SER A 38 0.481 18.325 8.377 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.928 16.828 8.592 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.846 16.310 9.869 1.00 0.00 H new ATOM 0 HG SER A 38 1.385 16.305 7.044 1.00 0.00 H new ATOM 509 N VAL A 39 1.882 19.025 11.239 1.00 0.00 N ATOM 510 CA VAL A 39 1.626 19.342 12.633 1.00 0.00 C ATOM 511 C VAL A 39 0.619 20.492 12.714 1.00 0.00 C ATOM 512 O VAL A 39 -0.585 20.261 12.818 1.00 0.00 O ATOM 513 CB VAL A 39 2.942 19.649 13.350 1.00 0.00 C ATOM 514 CG1 VAL A 39 2.687 20.160 14.770 1.00 0.00 C ATOM 515 CG2 VAL A 39 3.857 18.423 13.365 1.00 0.00 C ATOM 0 H VAL A 39 2.829 19.231 10.922 1.00 0.00 H new ATOM 0 HA VAL A 39 1.184 18.486 13.144 1.00 0.00 H new ATOM 0 HB VAL A 39 3.449 20.439 12.796 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.639 20.371 15.257 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.092 21.072 14.727 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.148 19.402 15.338 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.786 18.668 13.881 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.359 17.604 13.884 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.079 18.122 12.341 1.00 0.00 H new ATOM 525 N GLY A 40 1.149 21.705 12.663 1.00 0.00 N ATOM 526 CA GLY A 40 0.312 22.891 12.729 1.00 0.00 C ATOM 527 C GLY A 40 -0.975 22.699 11.924 1.00 0.00 C ATOM 528 O GLY A 40 -2.070 22.928 12.434 1.00 0.00 O ATOM 0 H GLY A 40 2.148 21.892 12.577 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.066 23.110 13.768 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.861 23.750 12.344 1.00 0.00 H new ATOM 532 N ILE A 41 -0.799 22.281 10.679 1.00 0.00 N ATOM 533 CA ILE A 41 -1.933 22.056 9.798 1.00 0.00 C ATOM 534 C ILE A 41 -2.958 21.172 10.510 1.00 0.00 C ATOM 535 O ILE A 41 -4.142 21.503 10.557 1.00 0.00 O ATOM 536 CB ILE A 41 -1.464 21.495 8.454 1.00 0.00 C ATOM 537 CG1 ILE A 41 -2.269 22.093 7.299 1.00 0.00 C ATOM 538 CG2 ILE A 41 -1.509 19.965 8.454 1.00 0.00 C ATOM 539 CD1 ILE A 41 -3.584 21.337 7.098 1.00 0.00 C ATOM 0 H ILE A 41 0.111 22.092 10.259 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.430 22.998 9.567 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.424 21.787 8.305 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.477 23.144 7.501 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.680 22.055 6.383 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.171 19.591 7.488 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.858 19.582 9.239 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.531 19.631 8.635 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.137 21.782 6.271 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.372 20.292 6.872 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.181 21.397 8.008 1.00 0.00 H new ATOM 551 N ALA A 42 -2.467 20.065 11.046 1.00 0.00 N ATOM 552 CA ALA A 42 -3.326 19.131 11.754 1.00 0.00 C ATOM 553 C ALA A 42 -4.029 19.859 12.901 1.00 0.00 C ATOM 554 O ALA A 42 -5.170 19.543 13.235 1.00 0.00 O ATOM 555 CB ALA A 42 -2.496 17.941 12.240 1.00 0.00 C ATOM 0 H ALA A 42 -1.485 19.793 11.004 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.097 18.741 11.090 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.141 17.241 12.771 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.043 17.440 11.385 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.713 18.294 12.911 1.00 0.00 H new ATOM 561 N ALA A 43 -3.320 20.821 13.472 1.00 0.00 N ATOM 562 CA ALA A 43 -3.861 21.597 14.574 1.00 0.00 C ATOM 563 C ALA A 43 -4.979 22.504 14.053 1.00 0.00 C ATOM 564 O ALA A 43 -5.926 22.805 14.778 1.00 0.00 O ATOM 565 CB ALA A 43 -2.736 22.387 15.245 1.00 0.00 C ATOM 0 H ALA A 43 -2.374 21.081 13.192 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.293 20.940 15.329 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.143 22.969 16.072 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.982 21.697 15.624 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.280 23.059 14.518 1.00 0.00 H new ATOM 571 N SER A 44 -4.831 22.912 12.802 1.00 0.00 N ATOM 572 CA SER A 44 -5.816 23.777 12.176 1.00 0.00 C ATOM 573 C SER A 44 -7.078 22.979 11.842 1.00 0.00 C ATOM 574 O SER A 44 -8.192 23.468 12.022 1.00 0.00 O ATOM 575 CB SER A 44 -5.252 24.430 10.912 1.00 0.00 C ATOM 576 OG SER A 44 -5.216 25.851 11.016 1.00 0.00 O ATOM 0 H SER A 44 -4.044 22.660 12.205 1.00 0.00 H new ATOM 0 HA SER A 44 -6.071 24.569 12.880 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.245 24.054 10.728 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.861 24.145 10.054 1.00 0.00 H new ATOM 0 HG SER A 44 -4.848 26.230 10.190 1.00 0.00 H new ATOM 582 N SER A 45 -6.861 21.763 11.363 1.00 0.00 N ATOM 583 CA SER A 45 -7.966 20.892 11.002 1.00 0.00 C ATOM 584 C SER A 45 -8.805 20.571 12.241 1.00 0.00 C ATOM 585 O SER A 45 -10.009 20.820 12.263 1.00 0.00 O ATOM 586 CB SER A 45 -7.462 19.601 10.353 1.00 0.00 C ATOM 587 OG SER A 45 -8.408 19.061 9.435 1.00 0.00 O ATOM 0 H SER A 45 -5.935 21.360 11.216 1.00 0.00 H new ATOM 0 HA SER A 45 -8.588 21.413 10.274 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.524 19.798 9.833 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.248 18.865 11.128 1.00 0.00 H new ATOM 0 HG SER A 45 -8.049 18.239 9.041 1.00 0.00 H new ATOM 593 N ILE A 46 -8.134 20.022 13.244 1.00 0.00 N ATOM 594 CA ILE A 46 -8.802 19.663 14.483 1.00 0.00 C ATOM 595 C ILE A 46 -9.464 20.908 15.079 1.00 0.00 C ATOM 596 O ILE A 46 -10.614 20.856 15.513 1.00 0.00 O ATOM 597 CB ILE A 46 -7.827 18.970 15.437 1.00 0.00 C ATOM 598 CG1 ILE A 46 -6.739 19.937 15.907 1.00 0.00 C ATOM 599 CG2 ILE A 46 -7.238 17.710 14.797 1.00 0.00 C ATOM 600 CD1 ILE A 46 -5.802 19.262 16.912 1.00 0.00 C ATOM 0 H ILE A 46 -7.135 19.817 13.223 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.594 18.939 14.292 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.380 18.654 16.322 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.166 20.289 15.050 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.199 20.813 16.365 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.548 17.236 15.495 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.042 17.016 14.553 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.704 17.980 13.886 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.038 19.971 17.230 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.375 18.933 17.779 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.325 18.401 16.444 1.00 0.00 H new ATOM 612 N ALA A 47 -8.709 21.997 15.081 1.00 0.00 N ATOM 613 CA ALA A 47 -9.208 23.252 15.616 1.00 0.00 C ATOM 614 C ALA A 47 -10.443 23.684 14.824 1.00 0.00 C ATOM 615 O ALA A 47 -11.339 24.330 15.367 1.00 0.00 O ATOM 616 CB ALA A 47 -8.095 24.301 15.579 1.00 0.00 C ATOM 0 H ALA A 47 -7.756 22.036 14.721 1.00 0.00 H new ATOM 0 HA ALA A 47 -9.509 23.133 16.657 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.469 25.243 15.980 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -7.253 23.959 16.181 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.769 24.449 14.550 1.00 0.00 H new ATOM 622 N ALA A 48 -10.452 23.311 13.553 1.00 0.00 N ATOM 623 CA ALA A 48 -11.563 23.652 12.680 1.00 0.00 C ATOM 624 C ALA A 48 -12.803 22.867 13.110 1.00 0.00 C ATOM 625 O ALA A 48 -13.790 23.453 13.554 1.00 0.00 O ATOM 626 CB ALA A 48 -11.173 23.377 11.226 1.00 0.00 C ATOM 0 H ALA A 48 -9.707 22.776 13.106 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.801 24.713 12.758 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -12.006 23.633 10.571 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.305 23.981 10.962 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -10.930 22.321 11.108 1.00 0.00 H new ATOM 632 N LYS A 49 -12.713 21.554 12.965 1.00 0.00 N ATOM 633 CA LYS A 49 -13.816 20.682 13.333 1.00 0.00 C ATOM 634 C LYS A 49 -15.064 21.086 12.545 1.00 0.00 C ATOM 635 O LYS A 49 -16.016 21.618 13.114 1.00 0.00 O ATOM 636 CB LYS A 49 -14.018 20.686 14.850 1.00 0.00 C ATOM 637 CG LYS A 49 -14.919 19.528 15.285 1.00 0.00 C ATOM 638 CD LYS A 49 -16.007 20.012 16.247 1.00 0.00 C ATOM 639 CE LYS A 49 -16.525 18.861 17.112 1.00 0.00 C ATOM 640 NZ LYS A 49 -17.949 18.589 16.814 1.00 0.00 N ATOM 0 H LYS A 49 -11.893 21.072 12.597 1.00 0.00 H new ATOM 0 HA LYS A 49 -13.591 19.649 13.067 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -13.052 20.608 15.349 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -14.461 21.633 15.159 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -15.380 19.072 14.409 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -14.319 18.757 15.767 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -15.609 20.801 16.885 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -16.831 20.446 15.681 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -15.932 17.965 16.929 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -16.409 19.110 18.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -18.285 17.805 17.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -18.514 19.440 17.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -18.051 18.330 15.812 1.00 0.00 H new ATOM 823 N ALA A 64 -11.427 10.123 -2.056 1.00 0.00 N ATOM 824 CA ALA A 64 -10.578 11.300 -2.129 1.00 0.00 C ATOM 825 C ALA A 64 -10.414 11.714 -3.593 1.00 0.00 C ATOM 826 O ALA A 64 -11.210 11.323 -4.446 1.00 0.00 O ATOM 827 CB ALA A 64 -9.238 11.007 -1.452 1.00 0.00 C ATOM 0 HA ALA A 64 -11.034 12.136 -1.599 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.602 11.890 -1.507 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.407 10.746 -0.407 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.749 10.175 -1.959 1.00 0.00 H new ATOM 833 N GLY A 65 -9.375 12.499 -3.840 1.00 0.00 N ATOM 834 CA GLY A 65 -9.096 12.970 -5.186 1.00 0.00 C ATOM 835 C GLY A 65 -7.653 12.658 -5.588 1.00 0.00 C ATOM 836 O GLY A 65 -7.353 11.548 -6.024 1.00 0.00 O ATOM 0 H GLY A 65 -8.716 12.821 -3.131 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.783 12.500 -5.889 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.269 14.045 -5.242 1.00 0.00 H new ATOM 840 N SER A 66 -6.798 13.657 -5.426 1.00 0.00 N ATOM 841 CA SER A 66 -5.394 13.503 -5.766 1.00 0.00 C ATOM 842 C SER A 66 -4.853 12.199 -5.176 1.00 0.00 C ATOM 843 O SER A 66 -4.192 11.427 -5.870 1.00 0.00 O ATOM 844 CB SER A 66 -4.573 14.693 -5.267 1.00 0.00 C ATOM 845 OG SER A 66 -3.743 15.236 -6.290 1.00 0.00 O ATOM 0 H SER A 66 -7.051 14.576 -5.064 1.00 0.00 H new ATOM 0 HA SER A 66 -5.307 13.466 -6.852 1.00 0.00 H new ATOM 0 HB2 SER A 66 -5.245 15.467 -4.897 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.954 14.379 -4.426 1.00 0.00 H new ATOM 0 HG SER A 66 -3.236 15.995 -5.932 1.00 0.00 H new ATOM 851 N LEU A 67 -5.152 11.995 -3.902 1.00 0.00 N ATOM 852 CA LEU A 67 -4.703 10.798 -3.211 1.00 0.00 C ATOM 853 C LEU A 67 -4.908 9.583 -4.118 1.00 0.00 C ATOM 854 O LEU A 67 -4.031 8.728 -4.224 1.00 0.00 O ATOM 855 CB LEU A 67 -5.394 10.673 -1.851 1.00 0.00 C ATOM 856 CG LEU A 67 -4.602 9.950 -0.760 1.00 0.00 C ATOM 857 CD1 LEU A 67 -5.167 10.264 0.626 1.00 0.00 C ATOM 858 CD2 LEU A 67 -4.545 8.445 -1.030 1.00 0.00 C ATOM 0 H LEU A 67 -5.700 12.638 -3.330 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.636 10.860 -2.997 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.634 11.675 -1.494 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.340 10.150 -1.993 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.576 10.319 -0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.586 9.738 1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.111 11.337 0.807 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.207 9.941 0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.976 7.955 -0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.557 8.041 -1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.061 8.266 -1.990 1.00 0.00 H new ATOM 870 N VAL A 68 -6.073 9.546 -4.750 1.00 0.00 N ATOM 871 CA VAL A 68 -6.404 8.450 -5.645 1.00 0.00 C ATOM 872 C VAL A 68 -5.201 8.147 -6.540 1.00 0.00 C ATOM 873 O VAL A 68 -4.749 7.005 -6.612 1.00 0.00 O ATOM 874 CB VAL A 68 -7.669 8.786 -6.437 1.00 0.00 C ATOM 875 CG1 VAL A 68 -8.090 7.611 -7.321 1.00 0.00 C ATOM 876 CG2 VAL A 68 -8.806 9.206 -5.504 1.00 0.00 C ATOM 0 H VAL A 68 -6.799 10.257 -4.660 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.622 7.546 -5.077 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.442 9.630 -7.088 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.992 7.876 -7.873 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.289 7.379 -8.023 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.289 6.740 -6.697 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.693 9.439 -6.093 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.031 8.392 -4.816 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.505 10.087 -4.937 1.00 0.00 H new ATOM 886 N ALA A 69 -4.716 9.189 -7.199 1.00 0.00 N ATOM 887 CA ALA A 69 -3.574 9.048 -8.086 1.00 0.00 C ATOM 888 C ALA A 69 -2.431 8.362 -7.334 1.00 0.00 C ATOM 889 O ALA A 69 -1.778 7.469 -7.871 1.00 0.00 O ATOM 890 CB ALA A 69 -3.174 10.422 -8.626 1.00 0.00 C ATOM 0 H ALA A 69 -5.093 10.135 -7.136 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.828 8.423 -8.942 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.317 10.316 -9.291 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.010 10.854 -9.176 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.910 11.076 -7.795 1.00 0.00 H new ATOM 896 N ILE A 70 -2.225 8.806 -6.103 1.00 0.00 N ATOM 897 CA ILE A 70 -1.172 8.247 -5.272 1.00 0.00 C ATOM 898 C ILE A 70 -1.432 6.753 -5.065 1.00 0.00 C ATOM 899 O ILE A 70 -0.543 5.930 -5.278 1.00 0.00 O ATOM 900 CB ILE A 70 -1.044 9.035 -3.967 1.00 0.00 C ATOM 901 CG1 ILE A 70 -0.653 10.489 -4.241 1.00 0.00 C ATOM 902 CG2 ILE A 70 -0.068 8.351 -3.007 1.00 0.00 C ATOM 903 CD1 ILE A 70 -1.298 11.431 -3.223 1.00 0.00 C ATOM 0 H ILE A 70 -2.769 9.547 -5.661 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.206 8.338 -5.768 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.019 9.049 -3.480 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.431 10.592 -4.201 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.962 10.769 -5.248 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.005 8.931 -2.087 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.428 7.348 -2.776 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.915 8.285 -3.473 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.004 12.458 -3.440 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.383 11.344 -3.283 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.967 11.164 -2.219 1.00 0.00 H new ATOM 915 N LEU A 71 -2.653 6.449 -4.653 1.00 0.00 N ATOM 916 CA LEU A 71 -3.041 5.069 -4.415 1.00 0.00 C ATOM 917 C LEU A 71 -2.814 4.253 -5.689 1.00 0.00 C ATOM 918 O LEU A 71 -2.435 3.084 -5.622 1.00 0.00 O ATOM 919 CB LEU A 71 -4.475 4.998 -3.887 1.00 0.00 C ATOM 920 CG LEU A 71 -4.701 4.090 -2.677 1.00 0.00 C ATOM 921 CD1 LEU A 71 -4.362 2.636 -3.012 1.00 0.00 C ATOM 922 CD2 LEU A 71 -3.923 4.594 -1.460 1.00 0.00 C ATOM 0 H LEU A 71 -3.387 7.135 -4.478 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.418 4.627 -3.637 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.794 6.006 -3.624 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.122 4.660 -4.696 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.759 4.123 -2.418 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.531 2.012 -2.135 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.997 2.293 -3.829 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.316 2.566 -3.311 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.101 3.930 -0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.858 4.610 -1.690 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.255 5.601 -1.208 1.00 0.00 H new ATOM 934 N GLN A 72 -3.054 4.901 -6.819 1.00 0.00 N ATOM 935 CA GLN A 72 -2.880 4.250 -8.106 1.00 0.00 C ATOM 936 C GLN A 72 -1.428 3.800 -8.282 1.00 0.00 C ATOM 937 O GLN A 72 -1.156 2.608 -8.419 1.00 0.00 O ATOM 938 CB GLN A 72 -3.311 5.171 -9.249 1.00 0.00 C ATOM 939 CG GLN A 72 -4.439 4.539 -10.068 1.00 0.00 C ATOM 940 CD GLN A 72 -4.887 5.472 -11.195 1.00 0.00 C ATOM 941 OE1 GLN A 72 -4.457 5.364 -12.332 1.00 0.00 O ATOM 942 NE2 GLN A 72 -5.772 6.390 -10.818 1.00 0.00 N ATOM 0 H GLN A 72 -3.368 5.870 -6.870 1.00 0.00 H new ATOM 0 HA GLN A 72 -3.519 3.367 -8.134 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.642 6.127 -8.845 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.458 5.377 -9.896 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -4.102 3.591 -10.488 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -5.285 4.316 -9.418 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.090 6.424 -9.849 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -6.133 7.060 -11.497 1.00 0.00 H new ATOM 951 N SER A 73 -0.534 4.778 -8.272 1.00 0.00 N ATOM 952 CA SER A 73 0.883 4.497 -8.429 1.00 0.00 C ATOM 953 C SER A 73 1.397 3.712 -7.221 1.00 0.00 C ATOM 954 O SER A 73 1.700 2.525 -7.330 1.00 0.00 O ATOM 955 CB SER A 73 1.684 5.789 -8.602 1.00 0.00 C ATOM 956 OG SER A 73 2.178 5.936 -9.931 1.00 0.00 O ATOM 0 H SER A 73 -0.763 5.765 -8.158 1.00 0.00 H new ATOM 0 HA SER A 73 1.015 3.896 -9.328 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.054 6.643 -8.353 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.519 5.794 -7.902 1.00 0.00 H new ATOM 0 HG SER A 73 2.682 6.773 -10.002 1.00 0.00 H new ATOM 962 N VAL A 74 1.481 4.407 -6.096 1.00 0.00 N ATOM 963 CA VAL A 74 1.954 3.789 -4.868 1.00 0.00 C ATOM 964 C VAL A 74 1.382 2.374 -4.761 1.00 0.00 C ATOM 965 O VAL A 74 2.073 1.453 -4.328 1.00 0.00 O ATOM 966 CB VAL A 74 1.599 4.670 -3.669 1.00 0.00 C ATOM 967 CG1 VAL A 74 1.928 3.963 -2.352 1.00 0.00 C ATOM 968 CG2 VAL A 74 2.304 6.025 -3.755 1.00 0.00 C ATOM 0 H VAL A 74 1.230 5.392 -6.009 1.00 0.00 H new ATOM 0 HA VAL A 74 3.040 3.700 -4.879 1.00 0.00 H new ATOM 0 HB VAL A 74 0.524 4.850 -3.693 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.666 4.611 -1.516 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.359 3.036 -2.285 1.00 0.00 H new ATOM 0 HG13 VAL A 74 2.994 3.738 -2.316 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.034 6.631 -2.890 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.383 5.873 -3.769 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.998 6.537 -4.667 1.00 0.00 H new ATOM 978 N GLY A 75 0.127 2.245 -5.164 1.00 0.00 N ATOM 979 CA GLY A 75 -0.546 0.958 -5.119 1.00 0.00 C ATOM 980 C GLY A 75 0.175 -0.068 -5.996 1.00 0.00 C ATOM 981 O GLY A 75 0.590 -1.120 -5.513 1.00 0.00 O ATOM 0 H GLY A 75 -0.442 3.011 -5.524 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.585 0.599 -4.090 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.576 1.070 -5.456 1.00 0.00 H new ATOM 985 N ALA A 76 0.302 0.275 -7.269 1.00 0.00 N ATOM 986 CA ALA A 76 0.966 -0.603 -8.218 1.00 0.00 C ATOM 987 C ALA A 76 2.458 -0.670 -7.887 1.00 0.00 C ATOM 988 O ALA A 76 2.947 -1.695 -7.413 1.00 0.00 O ATOM 989 CB ALA A 76 0.706 -0.106 -9.641 1.00 0.00 C ATOM 0 H ALA A 76 -0.044 1.149 -7.666 1.00 0.00 H new ATOM 0 HA ALA A 76 0.568 -1.615 -8.148 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.204 -0.764 -10.353 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.366 -0.105 -9.836 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.095 0.906 -9.750 1.00 0.00 H new ATOM 995 N ALA A 77 3.140 0.435 -8.149 1.00 0.00 N ATOM 996 CA ALA A 77 4.567 0.514 -7.884 1.00 0.00 C ATOM 997 C ALA A 77 4.874 -0.180 -6.556 1.00 0.00 C ATOM 998 O ALA A 77 5.801 -0.985 -6.473 1.00 0.00 O ATOM 999 CB ALA A 77 5.006 1.980 -7.892 1.00 0.00 C ATOM 0 H ALA A 77 2.731 1.283 -8.542 1.00 0.00 H new ATOM 0 HA ALA A 77 5.132 -0.000 -8.662 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.076 2.040 -7.693 1.00 0.00 H new ATOM 0 HB2 ALA A 77 4.793 2.418 -8.867 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.462 2.527 -7.121 1.00 0.00 H new ATOM 1005 N GLY A 78 4.079 0.156 -5.551 1.00 0.00 N ATOM 1006 CA GLY A 78 4.255 -0.426 -4.231 1.00 0.00 C ATOM 1007 C GLY A 78 4.163 -1.952 -4.288 1.00 0.00 C ATOM 1008 O GLY A 78 5.158 -2.645 -4.083 1.00 0.00 O ATOM 0 H GLY A 78 3.311 0.824 -5.624 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.223 -0.131 -3.826 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.494 -0.037 -3.554 1.00 0.00 H new ATOM 1012 N LEU A 79 2.959 -2.430 -4.567 1.00 0.00 N ATOM 1013 CA LEU A 79 2.724 -3.861 -4.653 1.00 0.00 C ATOM 1014 C LEU A 79 3.879 -4.519 -5.409 1.00 0.00 C ATOM 1015 O LEU A 79 4.249 -5.655 -5.118 1.00 0.00 O ATOM 1016 CB LEU A 79 1.349 -4.142 -5.263 1.00 0.00 C ATOM 1017 CG LEU A 79 0.643 -5.407 -4.771 1.00 0.00 C ATOM 1018 CD1 LEU A 79 -0.877 -5.226 -4.782 1.00 0.00 C ATOM 1019 CD2 LEU A 79 1.080 -6.630 -5.580 1.00 0.00 C ATOM 0 H LEU A 79 2.136 -1.852 -4.736 1.00 0.00 H new ATOM 0 HA LEU A 79 2.702 -4.304 -3.657 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.703 -3.288 -5.062 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.461 -4.210 -6.345 1.00 0.00 H new ATOM 0 HG LEU A 79 0.940 -5.583 -3.737 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.355 -6.139 -4.428 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.149 -4.397 -4.129 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.211 -5.012 -5.797 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.563 -7.515 -5.209 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.833 -6.479 -6.631 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.156 -6.769 -5.477 1.00 0.00 H new ATOM 1031 N SER A 80 4.417 -3.777 -6.366 1.00 0.00 N ATOM 1032 CA SER A 80 5.523 -4.274 -7.167 1.00 0.00 C ATOM 1033 C SER A 80 6.740 -4.531 -6.276 1.00 0.00 C ATOM 1034 O SER A 80 7.103 -5.680 -6.032 1.00 0.00 O ATOM 1035 CB SER A 80 5.880 -3.290 -8.283 1.00 0.00 C ATOM 1036 OG SER A 80 4.721 -2.706 -8.871 1.00 0.00 O ATOM 0 H SER A 80 4.107 -2.835 -6.605 1.00 0.00 H new ATOM 0 HA SER A 80 5.216 -5.211 -7.631 1.00 0.00 H new ATOM 0 HB2 SER A 80 6.519 -2.503 -7.882 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.455 -3.807 -9.051 1.00 0.00 H new ATOM 0 HG SER A 80 4.346 -2.037 -8.261 1.00 0.00 H new ATOM 1042 N VAL A 81 7.336 -3.441 -5.814 1.00 0.00 N ATOM 1043 CA VAL A 81 8.504 -3.535 -4.955 1.00 0.00 C ATOM 1044 C VAL A 81 8.210 -4.498 -3.804 1.00 0.00 C ATOM 1045 O VAL A 81 9.120 -5.132 -3.272 1.00 0.00 O ATOM 1046 CB VAL A 81 8.915 -2.140 -4.478 1.00 0.00 C ATOM 1047 CG1 VAL A 81 7.770 -1.458 -3.727 1.00 0.00 C ATOM 1048 CG2 VAL A 81 10.175 -2.207 -3.613 1.00 0.00 C ATOM 0 H VAL A 81 7.032 -2.489 -6.018 1.00 0.00 H new ATOM 0 HA VAL A 81 9.353 -3.939 -5.507 1.00 0.00 H new ATOM 0 HB VAL A 81 9.143 -1.538 -5.358 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.088 -0.469 -3.399 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.908 -1.361 -4.387 1.00 0.00 H new ATOM 0 HG13 VAL A 81 7.496 -2.057 -2.859 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.446 -1.203 -3.287 1.00 0.00 H new ATOM 0 HG22 VAL A 81 9.985 -2.833 -2.741 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.993 -2.633 -4.194 1.00 0.00 H new ATOM 1058 N THR A 82 6.935 -4.579 -3.453 1.00 0.00 N ATOM 1059 CA THR A 82 6.509 -5.454 -2.374 1.00 0.00 C ATOM 1060 C THR A 82 6.791 -6.915 -2.731 1.00 0.00 C ATOM 1061 O THR A 82 7.803 -7.476 -2.314 1.00 0.00 O ATOM 1062 CB THR A 82 5.033 -5.172 -2.090 1.00 0.00 C ATOM 1063 OG1 THR A 82 5.006 -3.793 -1.729 1.00 0.00 O ATOM 1064 CG2 THR A 82 4.528 -5.894 -0.840 1.00 0.00 C ATOM 0 H THR A 82 6.183 -4.053 -3.897 1.00 0.00 H new ATOM 0 HA THR A 82 7.072 -5.260 -1.461 1.00 0.00 H new ATOM 0 HB THR A 82 4.435 -5.474 -2.950 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.250 -3.247 -2.505 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.475 -5.659 -0.685 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.645 -6.970 -0.969 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.104 -5.568 0.026 1.00 0.00 H new ATOM 1072 N SER A 83 5.876 -7.490 -3.498 1.00 0.00 N ATOM 1073 CA SER A 83 6.013 -8.875 -3.915 1.00 0.00 C ATOM 1074 C SER A 83 7.433 -9.130 -4.426 1.00 0.00 C ATOM 1075 O SER A 83 8.032 -10.159 -4.116 1.00 0.00 O ATOM 1076 CB SER A 83 4.989 -9.229 -4.996 1.00 0.00 C ATOM 1077 OG SER A 83 3.794 -9.772 -4.442 1.00 0.00 O ATOM 0 H SER A 83 5.037 -7.022 -3.841 1.00 0.00 H new ATOM 0 HA SER A 83 5.824 -9.512 -3.051 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.748 -8.336 -5.573 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.427 -9.948 -5.689 1.00 0.00 H new ATOM 0 HG SER A 83 3.165 -9.983 -5.164 1.00 0.00 H new ATOM 1083 N LYS A 84 7.930 -8.176 -5.199 1.00 0.00 N ATOM 1084 CA LYS A 84 9.268 -8.284 -5.755 1.00 0.00 C ATOM 1085 C LYS A 84 10.250 -8.653 -4.641 1.00 0.00 C ATOM 1086 O LYS A 84 10.997 -9.623 -4.763 1.00 0.00 O ATOM 1087 CB LYS A 84 9.641 -7.004 -6.505 1.00 0.00 C ATOM 1088 CG LYS A 84 9.092 -7.026 -7.933 1.00 0.00 C ATOM 1089 CD LYS A 84 10.184 -6.676 -8.946 1.00 0.00 C ATOM 1090 CE LYS A 84 10.767 -7.940 -9.581 1.00 0.00 C ATOM 1091 NZ LYS A 84 10.886 -7.777 -11.047 1.00 0.00 N ATOM 0 H LYS A 84 7.430 -7.324 -5.454 1.00 0.00 H new ATOM 0 HA LYS A 84 9.310 -9.083 -6.495 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.246 -6.138 -5.973 1.00 0.00 H new ATOM 0 HB3 LYS A 84 10.725 -6.896 -6.530 1.00 0.00 H new ATOM 0 HG2 LYS A 84 8.687 -8.013 -8.156 1.00 0.00 H new ATOM 0 HG3 LYS A 84 8.269 -6.317 -8.021 1.00 0.00 H new ATOM 0 HD2 LYS A 84 9.772 -6.031 -9.722 1.00 0.00 H new ATOM 0 HD3 LYS A 84 10.977 -6.114 -8.452 1.00 0.00 H new ATOM 0 HE2 LYS A 84 11.747 -8.151 -9.152 1.00 0.00 H new ATOM 0 HE3 LYS A 84 10.129 -8.795 -9.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 11.283 -8.644 -11.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.946 -7.598 -11.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 11.513 -6.974 -11.257 1.00 0.00 H new ATOM 1105 N VAL A 85 10.217 -7.860 -3.581 1.00 0.00 N ATOM 1106 CA VAL A 85 11.095 -8.090 -2.446 1.00 0.00 C ATOM 1107 C VAL A 85 10.738 -9.428 -1.794 1.00 0.00 C ATOM 1108 O VAL A 85 11.595 -10.081 -1.200 1.00 0.00 O ATOM 1109 CB VAL A 85 11.015 -6.912 -1.474 1.00 0.00 C ATOM 1110 CG1 VAL A 85 10.843 -7.399 -0.034 1.00 0.00 C ATOM 1111 CG2 VAL A 85 12.244 -6.009 -1.605 1.00 0.00 C ATOM 0 H VAL A 85 9.596 -7.057 -3.484 1.00 0.00 H new ATOM 0 HA VAL A 85 12.133 -8.153 -2.773 1.00 0.00 H new ATOM 0 HB VAL A 85 10.136 -6.322 -1.734 1.00 0.00 H new ATOM 0 HG11 VAL A 85 10.789 -6.541 0.636 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.925 -7.981 0.046 1.00 0.00 H new ATOM 0 HG13 VAL A 85 11.693 -8.023 0.243 1.00 0.00 H new ATOM 0 HG21 VAL A 85 12.162 -5.179 -0.903 1.00 0.00 H new ATOM 0 HG22 VAL A 85 13.143 -6.584 -1.384 1.00 0.00 H new ATOM 0 HG23 VAL A 85 12.303 -5.620 -2.621 1.00 0.00 H new ATOM 1121 N ILE A 86 9.473 -9.796 -1.928 1.00 0.00 N ATOM 1122 CA ILE A 86 8.992 -11.043 -1.359 1.00 0.00 C ATOM 1123 C ILE A 86 9.574 -12.217 -2.150 1.00 0.00 C ATOM 1124 O ILE A 86 10.390 -12.976 -1.630 1.00 0.00 O ATOM 1125 CB ILE A 86 7.464 -11.047 -1.289 1.00 0.00 C ATOM 1126 CG1 ILE A 86 6.948 -9.839 -0.505 1.00 0.00 C ATOM 1127 CG2 ILE A 86 6.944 -12.367 -0.716 1.00 0.00 C ATOM 1128 CD1 ILE A 86 6.951 -10.120 0.999 1.00 0.00 C ATOM 0 H ILE A 86 8.766 -9.252 -2.423 1.00 0.00 H new ATOM 0 HA ILE A 86 9.335 -11.149 -0.330 1.00 0.00 H new ATOM 0 HB ILE A 86 7.076 -10.962 -2.304 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.571 -8.970 -0.718 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.937 -9.594 -0.831 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.855 -12.343 -0.677 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.266 -13.192 -1.352 1.00 0.00 H new ATOM 0 HG23 ILE A 86 7.340 -12.508 0.290 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.580 -9.245 1.533 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.308 -10.974 1.211 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.967 -10.341 1.326 1.00 0.00 H new ATOM 1140 N GLY A 87 9.131 -12.328 -3.394 1.00 0.00 N ATOM 1141 CA GLY A 87 9.598 -13.396 -4.262 1.00 0.00 C ATOM 1142 C GLY A 87 8.439 -14.004 -5.055 1.00 0.00 C ATOM 1143 O GLY A 87 7.683 -14.820 -4.530 1.00 0.00 O ATOM 0 H GLY A 87 8.454 -11.696 -3.821 1.00 0.00 H new ATOM 0 HA2 GLY A 87 10.350 -13.008 -4.949 1.00 0.00 H new ATOM 0 HA3 GLY A 87 10.081 -14.170 -3.665 1.00 0.00 H new ATOM 1147 N GLY A 88 8.336 -13.583 -6.307 1.00 0.00 N ATOM 1148 CA GLY A 88 7.283 -14.075 -7.178 1.00 0.00 C ATOM 1149 C GLY A 88 5.913 -13.570 -6.721 1.00 0.00 C ATOM 1150 O GLY A 88 5.410 -12.574 -7.238 1.00 0.00 O ATOM 0 H GLY A 88 8.965 -12.906 -6.739 1.00 0.00 H new ATOM 0 HA2 GLY A 88 7.471 -13.750 -8.201 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.290 -15.165 -7.183 1.00 0.00 H new ATOM 1154 N PHE A 89 5.347 -14.281 -5.756 1.00 0.00 N ATOM 1155 CA PHE A 89 4.045 -13.917 -5.224 1.00 0.00 C ATOM 1156 C PHE A 89 3.643 -14.845 -4.076 1.00 0.00 C ATOM 1157 O PHE A 89 3.220 -14.382 -3.018 1.00 0.00 O ATOM 1158 CB PHE A 89 3.037 -14.069 -6.365 1.00 0.00 C ATOM 1159 CG PHE A 89 1.929 -13.013 -6.362 1.00 0.00 C ATOM 1160 CD1 PHE A 89 1.167 -12.830 -5.251 1.00 0.00 C ATOM 1161 CD2 PHE A 89 1.707 -12.258 -7.471 1.00 0.00 C ATOM 1162 CE1 PHE A 89 0.140 -11.850 -5.248 1.00 0.00 C ATOM 1163 CE2 PHE A 89 0.680 -11.278 -7.469 1.00 0.00 C ATOM 1164 CZ PHE A 89 -0.082 -11.094 -6.357 1.00 0.00 C ATOM 0 H PHE A 89 5.767 -15.107 -5.329 1.00 0.00 H new ATOM 0 HA PHE A 89 4.072 -12.898 -4.839 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.569 -14.020 -7.315 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.582 -15.058 -6.305 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.343 -13.430 -4.371 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.312 -12.404 -8.354 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.465 -11.705 -4.365 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.504 -10.679 -8.350 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.863 -10.348 -6.355 1.00 0.00 H new ATOM 1174 N ALA A 90 3.788 -16.138 -4.325 1.00 0.00 N ATOM 1175 CA ALA A 90 3.445 -17.136 -3.326 1.00 0.00 C ATOM 1176 C ALA A 90 4.667 -18.013 -3.047 1.00 0.00 C ATOM 1177 O ALA A 90 5.059 -18.190 -1.894 1.00 0.00 O ATOM 1178 CB ALA A 90 2.241 -17.948 -3.807 1.00 0.00 C ATOM 0 H ALA A 90 4.138 -16.518 -5.204 1.00 0.00 H new ATOM 0 HA ALA A 90 3.161 -16.658 -2.388 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.984 -18.696 -3.057 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.392 -17.283 -3.961 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.488 -18.444 -4.745 1.00 0.00 H new ATOM 1184 N GLY A 91 5.235 -18.540 -4.122 1.00 0.00 N ATOM 1185 CA GLY A 91 6.404 -19.395 -4.008 1.00 0.00 C ATOM 1186 C GLY A 91 7.403 -18.826 -2.998 1.00 0.00 C ATOM 1187 O GLY A 91 7.321 -19.119 -1.806 1.00 0.00 O ATOM 0 H GLY A 91 4.907 -18.391 -5.076 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.099 -20.395 -3.699 1.00 0.00 H new ATOM 0 HA3 GLY A 91 6.883 -19.494 -4.982 1.00 0.00 H new ATOM 1191 N THR A 92 8.323 -18.023 -3.512 1.00 0.00 N ATOM 1192 CA THR A 92 9.336 -17.410 -2.670 1.00 0.00 C ATOM 1193 C THR A 92 8.725 -16.283 -1.834 1.00 0.00 C ATOM 1194 O THR A 92 8.672 -15.137 -2.276 1.00 0.00 O ATOM 1195 CB THR A 92 10.482 -16.945 -3.571 1.00 0.00 C ATOM 1196 OG1 THR A 92 11.214 -18.137 -3.845 1.00 0.00 O ATOM 1197 CG2 THR A 92 11.484 -16.055 -2.833 1.00 0.00 C ATOM 0 H THR A 92 8.388 -17.783 -4.501 1.00 0.00 H new ATOM 0 HA THR A 92 9.737 -18.124 -1.951 1.00 0.00 H new ATOM 0 HB THR A 92 10.075 -16.403 -4.424 1.00 0.00 H new ATOM 0 HG1 THR A 92 11.975 -17.927 -4.426 1.00 0.00 H new ATOM 0 HG21 THR A 92 12.276 -15.753 -3.518 1.00 0.00 H new ATOM 0 HG22 THR A 92 10.974 -15.169 -2.455 1.00 0.00 H new ATOM 0 HG23 THR A 92 11.917 -16.608 -1.999 1.00 0.00 H new