USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 474 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 7 THR OG1 : rot 180:sc= -2.21! USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -162:sc= 0 (180deg=-0.406) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= -0.557 USER MOD Single : A 60 MET CE :methyl -119:sc= 0 (180deg=-0.0242) USER MOD Single : A 62 MET CE :methyl -157:sc= -0.112 (180deg=-1.8) USER MOD Single : A 66 THR OG1 : rot 81:sc= 0.332 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 176:sc= 0 (180deg=-0.0171) USER MOD ----------------------------------------------------------------- ATOM 109 N THR A 7 -4.429 8.714 -5.970 1.00 0.00 N ATOM 110 CA THR A 7 -4.684 7.247 -5.894 1.00 0.00 C ATOM 111 C THR A 7 -5.545 6.931 -4.659 1.00 0.00 C ATOM 112 O THR A 7 -5.755 7.778 -3.814 1.00 0.00 O ATOM 113 CB THR A 7 -3.327 6.505 -5.824 1.00 0.00 C ATOM 114 OG1 THR A 7 -3.285 5.502 -6.827 1.00 0.00 O ATOM 115 CG2 THR A 7 -3.104 5.861 -4.445 1.00 0.00 C ATOM 0 HA THR A 7 -5.226 6.915 -6.779 1.00 0.00 H new ATOM 0 HB THR A 7 -2.534 7.235 -5.987 1.00 0.00 H new ATOM 0 HG1 THR A 7 -2.426 5.033 -6.785 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.142 5.349 -4.434 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.113 6.634 -3.677 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.899 5.143 -4.246 1.00 0.00 H new ATOM 123 N PRO A 8 -5.990 5.702 -4.590 1.00 0.00 N ATOM 124 CA PRO A 8 -6.805 5.208 -3.464 1.00 0.00 C ATOM 125 C PRO A 8 -5.902 5.008 -2.239 1.00 0.00 C ATOM 126 O PRO A 8 -4.719 5.277 -2.311 1.00 0.00 O ATOM 127 CB PRO A 8 -7.378 3.885 -3.995 1.00 0.00 C ATOM 128 CG PRO A 8 -6.461 3.437 -5.155 1.00 0.00 C ATOM 129 CD PRO A 8 -5.714 4.689 -5.634 1.00 0.00 C ATOM 0 HA PRO A 8 -7.597 5.885 -3.143 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.403 3.131 -3.208 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.403 4.019 -4.341 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.760 2.672 -4.821 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.046 3.002 -5.965 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.645 4.501 -5.733 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.072 5.016 -6.610 1.00 0.00 H new ATOM 137 N PRO A 9 -6.466 4.552 -1.148 1.00 0.00 N ATOM 138 CA PRO A 9 -5.690 4.331 0.087 1.00 0.00 C ATOM 139 C PRO A 9 -4.717 3.163 -0.088 1.00 0.00 C ATOM 140 O PRO A 9 -5.091 2.071 -0.467 1.00 0.00 O ATOM 141 CB PRO A 9 -6.759 4.053 1.149 1.00 0.00 C ATOM 142 CG PRO A 9 -8.024 3.608 0.384 1.00 0.00 C ATOM 143 CD PRO A 9 -7.901 4.201 -1.034 1.00 0.00 C ATOM 0 HA PRO A 9 -5.063 5.179 0.363 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.429 3.277 1.839 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -6.958 4.945 1.744 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.094 2.521 0.346 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -8.925 3.968 0.880 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.198 3.480 -1.796 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.538 5.077 -1.158 1.00 0.00 H new ATOM 151 N ALA A 10 -3.460 3.408 0.168 1.00 0.00 N ATOM 152 CA ALA A 10 -2.423 2.350 0.005 1.00 0.00 C ATOM 153 C ALA A 10 -2.951 0.996 0.480 1.00 0.00 C ATOM 154 O ALA A 10 -2.893 0.019 -0.234 1.00 0.00 O ATOM 155 CB ALA A 10 -1.188 2.728 0.823 1.00 0.00 C ATOM 0 H ALA A 10 -3.104 4.309 0.487 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.165 2.271 -1.051 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.426 1.958 0.708 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.796 3.682 0.470 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.461 2.814 1.875 1.00 0.00 H new ATOM 161 N ALA A 11 -3.455 0.918 1.679 1.00 0.00 N ATOM 162 CA ALA A 11 -3.966 -0.392 2.175 1.00 0.00 C ATOM 163 C ALA A 11 -4.839 -1.043 1.097 1.00 0.00 C ATOM 164 O ALA A 11 -4.633 -2.182 0.728 1.00 0.00 O ATOM 165 CB ALA A 11 -4.789 -0.178 3.445 1.00 0.00 C ATOM 0 H ALA A 11 -3.536 1.696 2.333 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.123 -1.046 2.401 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.160 -1.138 3.804 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.163 0.279 4.212 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.631 0.478 3.226 1.00 0.00 H new ATOM 171 N VAL A 12 -5.810 -0.332 0.589 1.00 0.00 N ATOM 172 CA VAL A 12 -6.688 -0.918 -0.465 1.00 0.00 C ATOM 173 C VAL A 12 -5.875 -1.154 -1.738 1.00 0.00 C ATOM 174 O VAL A 12 -5.762 -2.264 -2.218 1.00 0.00 O ATOM 175 CB VAL A 12 -7.840 0.045 -0.762 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.675 -0.497 -1.925 1.00 0.00 C ATOM 177 CG2 VAL A 12 -8.724 0.175 0.480 1.00 0.00 C ATOM 0 H VAL A 12 -6.033 0.627 0.857 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.091 -1.868 -0.114 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.437 1.022 -1.030 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.495 0.190 -2.135 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.046 -0.594 -2.810 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.079 -1.474 -1.659 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.546 0.860 0.272 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.126 -0.803 0.745 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.131 0.561 1.310 1.00 0.00 H new ATOM 187 N LEU A 13 -5.304 -0.117 -2.292 1.00 0.00 N ATOM 188 CA LEU A 13 -4.497 -0.283 -3.534 1.00 0.00 C ATOM 189 C LEU A 13 -3.510 -1.430 -3.348 1.00 0.00 C ATOM 190 O LEU A 13 -3.299 -2.237 -4.232 1.00 0.00 O ATOM 191 CB LEU A 13 -3.725 1.006 -3.812 1.00 0.00 C ATOM 192 CG LEU A 13 -2.969 0.880 -5.135 1.00 0.00 C ATOM 193 CD1 LEU A 13 -3.185 2.143 -5.973 1.00 0.00 C ATOM 194 CD2 LEU A 13 -1.474 0.712 -4.851 1.00 0.00 C ATOM 0 H LEU A 13 -5.362 0.838 -1.937 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.159 -0.502 -4.372 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.412 1.851 -3.854 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.025 1.204 -3.000 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.340 0.013 -5.682 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.645 2.051 -6.916 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.249 2.268 -6.175 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.815 3.010 -5.426 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.933 0.622 -5.793 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.108 1.581 -4.304 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.316 -0.186 -4.254 1.00 0.00 H new ATOM 206 N LEU A 14 -2.909 -1.504 -2.202 1.00 0.00 N ATOM 207 CA LEU A 14 -1.933 -2.593 -1.936 1.00 0.00 C ATOM 208 C LEU A 14 -2.679 -3.924 -1.901 1.00 0.00 C ATOM 209 O LEU A 14 -2.369 -4.836 -2.640 1.00 0.00 O ATOM 210 CB LEU A 14 -1.245 -2.348 -0.592 1.00 0.00 C ATOM 211 CG LEU A 14 -0.387 -1.086 -0.684 1.00 0.00 C ATOM 212 CD1 LEU A 14 -0.227 -0.473 0.709 1.00 0.00 C ATOM 213 CD2 LEU A 14 0.990 -1.444 -1.243 1.00 0.00 C ATOM 0 H LEU A 14 -3.051 -0.853 -1.430 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.177 -2.616 -2.721 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.990 -2.238 0.196 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.625 -3.204 -0.327 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.872 -0.367 -1.344 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.385 0.427 0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.208 -0.216 1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.256 -1.193 1.370 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.601 -0.544 -1.308 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.474 -2.164 -0.584 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.878 -1.879 -2.236 1.00 0.00 H new ATOM 225 N LYS A 15 -3.673 -4.039 -1.060 1.00 0.00 N ATOM 226 CA LYS A 15 -4.446 -5.308 -0.996 1.00 0.00 C ATOM 227 C LYS A 15 -4.964 -5.632 -2.396 1.00 0.00 C ATOM 228 O LYS A 15 -5.098 -6.777 -2.780 1.00 0.00 O ATOM 229 CB LYS A 15 -5.628 -5.145 -0.034 1.00 0.00 C ATOM 230 CG LYS A 15 -6.278 -6.508 0.213 1.00 0.00 C ATOM 231 CD LYS A 15 -7.711 -6.495 -0.325 1.00 0.00 C ATOM 232 CE LYS A 15 -8.692 -6.708 0.831 1.00 0.00 C ATOM 233 NZ LYS A 15 -9.008 -8.159 0.954 1.00 0.00 N ATOM 0 H LYS A 15 -3.980 -3.309 -0.417 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.808 -6.116 -0.637 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.287 -4.717 0.909 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.358 -4.453 -0.453 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.701 -7.292 -0.277 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.281 -6.734 1.279 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.916 -5.546 -0.820 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.837 -7.278 -1.072 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.260 -6.339 1.761 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.605 -6.140 0.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.674 -8.304 1.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.437 -8.497 0.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.133 -8.690 1.140 1.00 0.00 H new ATOM 247 N LYS A 16 -5.254 -4.628 -3.169 1.00 0.00 N ATOM 248 CA LYS A 16 -5.750 -4.876 -4.547 1.00 0.00 C ATOM 249 C LYS A 16 -4.591 -5.327 -5.430 1.00 0.00 C ATOM 250 O LYS A 16 -4.526 -6.455 -5.876 1.00 0.00 O ATOM 251 CB LYS A 16 -6.359 -3.593 -5.114 1.00 0.00 C ATOM 252 CG LYS A 16 -7.744 -3.897 -5.684 1.00 0.00 C ATOM 253 CD LYS A 16 -8.798 -3.101 -4.912 1.00 0.00 C ATOM 254 CE LYS A 16 -9.029 -3.747 -3.545 1.00 0.00 C ATOM 255 NZ LYS A 16 -10.490 -3.929 -3.320 1.00 0.00 N ATOM 0 H LYS A 16 -5.169 -3.646 -2.907 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.512 -5.655 -4.523 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.433 -2.837 -4.333 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.715 -3.185 -5.893 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.779 -3.637 -6.742 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.953 -4.964 -5.611 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.470 -2.069 -4.787 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.731 -3.073 -5.475 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.520 -4.710 -3.496 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.605 -3.122 -2.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.646 -4.368 -2.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.964 -3.004 -3.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.882 -4.542 -4.063 1.00 0.00 H new ATOM 269 N ALA A 17 -3.690 -4.433 -5.691 1.00 0.00 N ATOM 270 CA ALA A 17 -2.522 -4.759 -6.561 1.00 0.00 C ATOM 271 C ALA A 17 -1.622 -5.819 -5.912 1.00 0.00 C ATOM 272 O ALA A 17 -1.532 -6.937 -6.378 1.00 0.00 O ATOM 273 CB ALA A 17 -1.705 -3.487 -6.800 1.00 0.00 C ATOM 0 H ALA A 17 -3.707 -3.476 -5.337 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.897 -5.157 -7.504 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.850 -3.718 -7.435 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.330 -2.740 -7.290 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.353 -3.096 -5.845 1.00 0.00 H new ATOM 279 N ALA A 18 -0.928 -5.469 -4.860 1.00 0.00 N ATOM 280 CA ALA A 18 -0.004 -6.443 -4.206 1.00 0.00 C ATOM 281 C ALA A 18 -0.780 -7.435 -3.339 1.00 0.00 C ATOM 282 O ALA A 18 -0.243 -8.430 -2.896 1.00 0.00 O ATOM 283 CB ALA A 18 0.993 -5.684 -3.329 1.00 0.00 C ATOM 0 H ALA A 18 -0.962 -4.547 -4.424 1.00 0.00 H new ATOM 0 HA ALA A 18 0.521 -6.997 -4.984 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.669 -6.392 -2.850 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.568 -4.994 -3.946 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.453 -5.124 -2.565 1.00 0.00 H new ATOM 289 N GLY A 19 -2.033 -7.185 -3.087 1.00 0.00 N ATOM 290 CA GLY A 19 -2.814 -8.132 -2.242 1.00 0.00 C ATOM 291 C GLY A 19 -3.428 -9.219 -3.123 1.00 0.00 C ATOM 292 O GLY A 19 -4.391 -9.858 -2.751 1.00 0.00 O ATOM 0 H GLY A 19 -2.548 -6.373 -3.426 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.167 -8.582 -1.489 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.599 -7.596 -1.708 1.00 0.00 H new ATOM 447 N LYS A 31 1.907 -12.831 5.351 1.00 0.00 N ATOM 448 CA LYS A 31 2.362 -13.957 4.482 1.00 0.00 C ATOM 449 C LYS A 31 1.306 -14.259 3.416 1.00 0.00 C ATOM 450 O LYS A 31 1.143 -15.389 2.998 1.00 0.00 O ATOM 451 CB LYS A 31 2.600 -15.207 5.334 1.00 0.00 C ATOM 452 CG LYS A 31 3.330 -14.819 6.622 1.00 0.00 C ATOM 453 CD LYS A 31 4.504 -15.775 6.855 1.00 0.00 C ATOM 454 CE LYS A 31 4.151 -16.757 7.973 1.00 0.00 C ATOM 455 NZ LYS A 31 4.828 -18.061 7.724 1.00 0.00 N ATOM 0 HA LYS A 31 3.292 -13.669 3.992 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.649 -15.683 5.572 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.189 -15.934 4.775 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.692 -13.793 6.552 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.643 -14.858 7.467 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.731 -16.319 5.938 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.398 -15.211 7.121 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.461 -16.353 8.937 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.071 -16.899 8.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.587 -18.728 8.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.512 -18.448 6.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.858 -17.919 7.701 1.00 0.00 H new ATOM 469 N VAL A 32 0.594 -13.263 2.964 1.00 0.00 N ATOM 470 CA VAL A 32 -0.440 -13.511 1.916 1.00 0.00 C ATOM 471 C VAL A 32 -0.200 -12.594 0.716 1.00 0.00 C ATOM 472 O VAL A 32 -0.773 -12.771 -0.341 1.00 0.00 O ATOM 473 CB VAL A 32 -1.835 -13.256 2.486 1.00 0.00 C ATOM 474 CG1 VAL A 32 -2.002 -14.032 3.792 1.00 0.00 C ATOM 475 CG2 VAL A 32 -2.017 -11.761 2.750 1.00 0.00 C ATOM 0 H VAL A 32 0.681 -12.294 3.272 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.370 -14.550 1.593 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.585 -13.588 1.769 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.997 -13.850 4.199 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.877 -15.098 3.600 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.251 -13.702 4.510 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.012 -11.582 3.156 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.267 -11.424 3.465 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.902 -11.210 1.817 1.00 0.00 H new ATOM 485 N ALA A 33 0.648 -11.624 0.871 1.00 0.00 N ATOM 486 CA ALA A 33 0.938 -10.693 -0.257 1.00 0.00 C ATOM 487 C ALA A 33 2.353 -10.143 -0.097 1.00 0.00 C ATOM 488 O ALA A 33 2.602 -9.276 0.716 1.00 0.00 O ATOM 489 CB ALA A 33 -0.068 -9.541 -0.240 1.00 0.00 C ATOM 0 H ALA A 33 1.158 -11.431 1.733 1.00 0.00 H new ATOM 0 HA ALA A 33 0.857 -11.225 -1.205 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.144 -8.860 -1.065 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -1.077 -9.938 -0.348 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.011 -9.003 0.704 1.00 0.00 H new ATOM 495 N THR A 34 3.290 -10.647 -0.852 1.00 0.00 N ATOM 496 CA THR A 34 4.688 -10.155 -0.722 1.00 0.00 C ATOM 497 C THR A 34 5.127 -9.458 -2.013 1.00 0.00 C ATOM 498 O THR A 34 4.989 -9.986 -3.099 1.00 0.00 O ATOM 499 CB THR A 34 5.619 -11.337 -0.442 1.00 0.00 C ATOM 500 OG1 THR A 34 4.855 -12.535 -0.393 1.00 0.00 O ATOM 501 CG2 THR A 34 6.327 -11.127 0.896 1.00 0.00 C ATOM 0 H THR A 34 3.148 -11.376 -1.551 1.00 0.00 H new ATOM 0 HA THR A 34 4.737 -9.442 0.101 1.00 0.00 H new ATOM 0 HB THR A 34 6.363 -11.410 -1.235 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.448 -13.294 -0.216 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.989 -11.970 1.093 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.911 -10.208 0.858 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.586 -11.054 1.692 1.00 0.00 H new ATOM 509 N ILE A 35 5.673 -8.279 -1.893 1.00 0.00 N ATOM 510 CA ILE A 35 6.148 -7.539 -3.096 1.00 0.00 C ATOM 511 C ILE A 35 7.453 -6.838 -2.748 1.00 0.00 C ATOM 512 O ILE A 35 7.716 -6.538 -1.602 1.00 0.00 O ATOM 513 CB ILE A 35 5.114 -6.488 -3.518 1.00 0.00 C ATOM 514 CG1 ILE A 35 4.353 -5.997 -2.284 1.00 0.00 C ATOM 515 CG2 ILE A 35 4.130 -7.106 -4.510 1.00 0.00 C ATOM 516 CD1 ILE A 35 4.198 -4.477 -2.350 1.00 0.00 C ATOM 0 H ILE A 35 5.811 -7.793 -1.007 1.00 0.00 H new ATOM 0 HA ILE A 35 6.294 -8.240 -3.918 1.00 0.00 H new ATOM 0 HB ILE A 35 5.624 -5.648 -3.990 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.373 -6.471 -2.236 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.888 -6.279 -1.378 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.396 -6.358 -4.809 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.671 -7.455 -5.390 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.620 -7.947 -4.040 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.656 -4.128 -1.471 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.183 -4.012 -2.377 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.644 -4.206 -3.249 1.00 0.00 H new ATOM 528 N LYS A 36 8.275 -6.564 -3.713 1.00 0.00 N ATOM 529 CA LYS A 36 9.550 -5.873 -3.405 1.00 0.00 C ATOM 530 C LYS A 36 9.285 -4.372 -3.311 1.00 0.00 C ATOM 531 O LYS A 36 8.249 -3.890 -3.725 1.00 0.00 O ATOM 532 CB LYS A 36 10.568 -6.151 -4.513 1.00 0.00 C ATOM 533 CG LYS A 36 11.813 -6.806 -3.912 1.00 0.00 C ATOM 534 CD LYS A 36 11.645 -8.327 -3.919 1.00 0.00 C ATOM 535 CE LYS A 36 12.663 -8.947 -4.877 1.00 0.00 C ATOM 536 NZ LYS A 36 13.179 -10.221 -4.301 1.00 0.00 N ATOM 0 H LYS A 36 8.122 -6.787 -4.697 1.00 0.00 H new ATOM 0 HA LYS A 36 9.950 -6.237 -2.459 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.130 -6.804 -5.268 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.839 -5.221 -5.013 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.697 -6.525 -4.484 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.967 -6.451 -2.893 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.787 -8.724 -2.914 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.633 -8.591 -4.226 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.199 -9.135 -5.845 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.486 -8.253 -5.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.871 -10.642 -4.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.637 -10.029 -3.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.389 -10.883 -4.160 1.00 0.00 H new ATOM 550 N ARG A 37 10.204 -3.627 -2.767 1.00 0.00 N ATOM 551 CA ARG A 37 9.990 -2.160 -2.648 1.00 0.00 C ATOM 552 C ARG A 37 9.522 -1.601 -3.990 1.00 0.00 C ATOM 553 O ARG A 37 8.901 -0.565 -4.058 1.00 0.00 O ATOM 554 CB ARG A 37 11.302 -1.487 -2.232 1.00 0.00 C ATOM 555 CG ARG A 37 11.215 0.022 -2.474 1.00 0.00 C ATOM 556 CD ARG A 37 12.415 0.712 -1.824 1.00 0.00 C ATOM 557 NE ARG A 37 13.425 1.040 -2.870 1.00 0.00 N ATOM 558 CZ ARG A 37 14.643 1.358 -2.526 1.00 0.00 C ATOM 559 NH1 ARG A 37 15.443 0.447 -2.038 1.00 0.00 N ATOM 560 NH2 ARG A 37 15.065 2.583 -2.669 1.00 0.00 N ATOM 0 H ARG A 37 11.092 -3.969 -2.400 1.00 0.00 H new ATOM 0 HA ARG A 37 9.229 -1.961 -1.894 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.504 -1.684 -1.179 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.132 -1.908 -2.800 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.198 0.229 -3.544 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.287 0.415 -2.059 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.094 1.621 -1.315 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.856 0.062 -1.068 1.00 0.00 H new ATOM 0 HE ARG A 37 13.164 1.016 -3.856 1.00 0.00 H new ATOM 0 HH11 ARG A 37 15.115 -0.512 -1.926 1.00 0.00 H new ATOM 0 HH12 ARG A 37 16.395 0.695 -1.769 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.443 3.296 -3.050 1.00 0.00 H new ATOM 0 HH22 ARG A 37 16.017 2.829 -2.399 1.00 0.00 H new ATOM 574 N ASP A 38 9.819 -2.282 -5.053 1.00 0.00 N ATOM 575 CA ASP A 38 9.405 -1.795 -6.403 1.00 0.00 C ATOM 576 C ASP A 38 7.893 -1.542 -6.443 1.00 0.00 C ATOM 577 O ASP A 38 7.430 -0.639 -7.112 1.00 0.00 O ATOM 578 CB ASP A 38 9.771 -2.846 -7.453 1.00 0.00 C ATOM 579 CG ASP A 38 10.024 -2.164 -8.799 1.00 0.00 C ATOM 580 OD1 ASP A 38 9.639 -1.015 -8.941 1.00 0.00 O ATOM 581 OD2 ASP A 38 10.601 -2.803 -9.664 1.00 0.00 O ATOM 0 H ASP A 38 10.334 -3.162 -5.052 1.00 0.00 H new ATOM 0 HA ASP A 38 9.923 -0.860 -6.614 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.660 -3.393 -7.139 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.965 -3.574 -7.549 1.00 0.00 H new ATOM 586 N LYS A 39 7.118 -2.328 -5.747 1.00 0.00 N ATOM 587 CA LYS A 39 5.643 -2.119 -5.771 1.00 0.00 C ATOM 588 C LYS A 39 5.256 -1.035 -4.773 1.00 0.00 C ATOM 589 O LYS A 39 4.636 -0.050 -5.122 1.00 0.00 O ATOM 590 CB LYS A 39 4.959 -3.412 -5.368 1.00 0.00 C ATOM 591 CG LYS A 39 3.980 -3.846 -6.462 1.00 0.00 C ATOM 592 CD LYS A 39 4.654 -4.864 -7.386 1.00 0.00 C ATOM 593 CE LYS A 39 5.063 -4.179 -8.694 1.00 0.00 C ATOM 594 NZ LYS A 39 4.834 -5.109 -9.836 1.00 0.00 N ATOM 0 H LYS A 39 7.440 -3.102 -5.166 1.00 0.00 H new ATOM 0 HA LYS A 39 5.338 -1.818 -6.773 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.703 -4.191 -5.204 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.428 -3.275 -4.426 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.088 -4.283 -6.013 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.655 -2.979 -7.037 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.530 -5.290 -6.897 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.973 -5.689 -7.593 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.486 -3.265 -8.834 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.113 -3.889 -8.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.112 -4.644 -10.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.403 -5.969 -9.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.827 -5.364 -9.879 1.00 0.00 H new ATOM 608 N VAL A 40 5.615 -1.202 -3.533 1.00 0.00 N ATOM 609 CA VAL A 40 5.263 -0.172 -2.528 1.00 0.00 C ATOM 610 C VAL A 40 6.009 1.108 -2.882 1.00 0.00 C ATOM 611 O VAL A 40 5.673 2.183 -2.431 1.00 0.00 O ATOM 612 CB VAL A 40 5.677 -0.646 -1.135 1.00 0.00 C ATOM 613 CG1 VAL A 40 5.541 0.508 -0.140 1.00 0.00 C ATOM 614 CG2 VAL A 40 4.773 -1.801 -0.699 1.00 0.00 C ATOM 0 H VAL A 40 6.134 -2.004 -3.176 1.00 0.00 H new ATOM 0 HA VAL A 40 4.188 0.006 -2.529 1.00 0.00 H new ATOM 0 HB VAL A 40 6.713 -0.983 -1.161 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.836 0.169 0.853 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.184 1.332 -0.448 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.505 0.846 -0.115 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.068 -2.139 0.294 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.737 -1.463 -0.674 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.869 -2.625 -1.406 1.00 0.00 H new ATOM 624 N ARG A 41 7.009 1.001 -3.715 1.00 0.00 N ATOM 625 CA ARG A 41 7.755 2.227 -4.122 1.00 0.00 C ATOM 626 C ARG A 41 6.891 3.008 -5.108 1.00 0.00 C ATOM 627 O ARG A 41 6.513 4.137 -4.867 1.00 0.00 O ATOM 628 CB ARG A 41 9.081 1.852 -4.789 1.00 0.00 C ATOM 629 CG ARG A 41 9.784 3.120 -5.282 1.00 0.00 C ATOM 630 CD ARG A 41 9.589 3.258 -6.793 1.00 0.00 C ATOM 631 NE ARG A 41 10.918 3.253 -7.467 1.00 0.00 N ATOM 632 CZ ARG A 41 11.226 2.292 -8.292 1.00 0.00 C ATOM 633 NH1 ARG A 41 10.407 1.970 -9.256 1.00 0.00 N ATOM 634 NH2 ARG A 41 12.352 1.650 -8.155 1.00 0.00 N ATOM 0 H ARG A 41 7.339 0.128 -4.127 1.00 0.00 H new ATOM 0 HA ARG A 41 7.973 2.831 -3.241 1.00 0.00 H new ATOM 0 HB2 ARG A 41 9.719 1.322 -4.081 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.901 1.175 -5.624 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.380 3.994 -4.771 1.00 0.00 H new ATOM 0 HG3 ARG A 41 10.847 3.075 -5.045 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.976 2.438 -7.168 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.058 4.183 -7.019 1.00 0.00 H new ATOM 0 HE ARG A 41 11.586 4.001 -7.283 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.525 2.471 -9.364 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.649 1.218 -9.901 1.00 0.00 H new ATOM 0 HH21 ARG A 41 12.993 1.899 -7.402 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.592 0.898 -8.801 1.00 0.00 H new ATOM 648 N GLU A 42 6.561 2.397 -6.215 1.00 0.00 N ATOM 649 CA GLU A 42 5.703 3.081 -7.219 1.00 0.00 C ATOM 650 C GLU A 42 4.359 3.389 -6.570 1.00 0.00 C ATOM 651 O GLU A 42 3.739 4.401 -6.830 1.00 0.00 O ATOM 652 CB GLU A 42 5.499 2.157 -8.422 1.00 0.00 C ATOM 653 CG GLU A 42 6.814 2.024 -9.193 1.00 0.00 C ATOM 654 CD GLU A 42 7.253 3.399 -9.700 1.00 0.00 C ATOM 655 OE1 GLU A 42 6.773 3.804 -10.745 1.00 0.00 O ATOM 656 OE2 GLU A 42 8.062 4.024 -9.034 1.00 0.00 O ATOM 0 H GLU A 42 6.851 1.452 -6.465 1.00 0.00 H new ATOM 0 HA GLU A 42 6.173 4.005 -7.557 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.161 1.176 -8.087 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.722 2.557 -9.074 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.584 1.600 -8.548 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.688 1.339 -10.032 1.00 0.00 H new ATOM 663 N ILE A 43 3.913 2.507 -5.723 1.00 0.00 N ATOM 664 CA ILE A 43 2.612 2.704 -5.030 1.00 0.00 C ATOM 665 C ILE A 43 2.743 3.830 -4.001 1.00 0.00 C ATOM 666 O ILE A 43 1.859 4.650 -3.850 1.00 0.00 O ATOM 667 CB ILE A 43 2.243 1.394 -4.327 1.00 0.00 C ATOM 668 CG1 ILE A 43 1.668 0.412 -5.350 1.00 0.00 C ATOM 669 CG2 ILE A 43 1.202 1.651 -3.232 1.00 0.00 C ATOM 670 CD1 ILE A 43 1.469 -0.949 -4.684 1.00 0.00 C ATOM 0 H ILE A 43 4.402 1.646 -5.478 1.00 0.00 H new ATOM 0 HA ILE A 43 1.837 2.976 -5.747 1.00 0.00 H new ATOM 0 HB ILE A 43 3.140 0.974 -3.872 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.719 0.784 -5.735 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.343 0.319 -6.201 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.950 0.711 -2.742 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.610 2.345 -2.498 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.304 2.080 -3.677 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.059 -1.652 -5.409 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.427 -1.320 -4.320 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.778 -0.847 -3.847 1.00 0.00 H new ATOM 682 N ALA A 44 3.833 3.874 -3.288 1.00 0.00 N ATOM 683 CA ALA A 44 4.010 4.944 -2.268 1.00 0.00 C ATOM 684 C ALA A 44 3.975 6.312 -2.951 1.00 0.00 C ATOM 685 O ALA A 44 3.155 7.153 -2.636 1.00 0.00 O ATOM 686 CB ALA A 44 5.358 4.758 -1.567 1.00 0.00 C ATOM 0 H ALA A 44 4.608 3.216 -3.367 1.00 0.00 H new ATOM 0 HA ALA A 44 3.206 4.885 -1.535 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.490 5.540 -0.820 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.384 3.783 -1.080 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.161 4.818 -2.301 1.00 0.00 H new ATOM 692 N GLU A 45 4.858 6.544 -3.883 1.00 0.00 N ATOM 693 CA GLU A 45 4.877 7.860 -4.583 1.00 0.00 C ATOM 694 C GLU A 45 3.557 8.081 -5.322 1.00 0.00 C ATOM 695 O GLU A 45 3.056 9.186 -5.401 1.00 0.00 O ATOM 696 CB GLU A 45 6.032 7.891 -5.583 1.00 0.00 C ATOM 697 CG GLU A 45 7.095 8.883 -5.105 1.00 0.00 C ATOM 698 CD GLU A 45 8.149 9.068 -6.198 1.00 0.00 C ATOM 699 OE1 GLU A 45 8.226 8.217 -7.069 1.00 0.00 O ATOM 700 OE2 GLU A 45 8.862 10.056 -6.144 1.00 0.00 O ATOM 0 H GLU A 45 5.568 5.879 -4.190 1.00 0.00 H new ATOM 0 HA GLU A 45 5.010 8.652 -3.846 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.467 6.896 -5.684 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.666 8.180 -6.568 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.632 9.840 -4.865 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.564 8.518 -4.191 1.00 0.00 H new ATOM 707 N LEU A 46 2.994 7.045 -5.869 1.00 0.00 N ATOM 708 CA LEU A 46 1.710 7.202 -6.610 1.00 0.00 C ATOM 709 C LEU A 46 0.602 7.603 -5.635 1.00 0.00 C ATOM 710 O LEU A 46 -0.271 8.385 -5.957 1.00 0.00 O ATOM 711 CB LEU A 46 1.343 5.879 -7.284 1.00 0.00 C ATOM 712 CG LEU A 46 1.921 5.859 -8.700 1.00 0.00 C ATOM 713 CD1 LEU A 46 1.615 4.511 -9.356 1.00 0.00 C ATOM 714 CD2 LEU A 46 1.286 6.983 -9.522 1.00 0.00 C ATOM 0 H LEU A 46 3.365 6.095 -5.837 1.00 0.00 H new ATOM 0 HA LEU A 46 1.823 7.976 -7.369 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.735 5.042 -6.706 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.260 5.763 -7.319 1.00 0.00 H new ATOM 0 HG LEU A 46 3.000 6.004 -8.656 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.026 4.496 -10.365 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.064 3.710 -8.769 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.536 4.365 -9.402 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.696 6.971 -10.532 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.207 6.836 -9.567 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.502 7.943 -9.054 1.00 0.00 H new ATOM 726 N LYS A 47 0.628 7.068 -4.448 1.00 0.00 N ATOM 727 CA LYS A 47 -0.422 7.411 -3.450 1.00 0.00 C ATOM 728 C LYS A 47 -0.215 8.844 -2.961 1.00 0.00 C ATOM 729 O LYS A 47 -1.126 9.642 -2.956 1.00 0.00 O ATOM 730 CB LYS A 47 -0.321 6.438 -2.270 1.00 0.00 C ATOM 731 CG LYS A 47 -1.120 6.956 -1.067 1.00 0.00 C ATOM 732 CD LYS A 47 -2.597 6.593 -1.233 1.00 0.00 C ATOM 733 CE LYS A 47 -3.399 7.857 -1.548 1.00 0.00 C ATOM 734 NZ LYS A 47 -4.214 8.232 -0.359 1.00 0.00 N ATOM 0 H LYS A 47 1.333 6.406 -4.124 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.409 7.332 -3.906 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.696 5.459 -2.567 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.724 6.307 -1.989 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.731 6.523 -0.146 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.009 8.037 -0.983 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.716 5.864 -2.035 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.973 6.128 -0.322 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.726 8.672 -1.813 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.047 7.686 -2.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.761 9.091 -0.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.866 7.456 -0.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.586 8.411 0.450 1.00 0.00 H new ATOM 748 N MET A 48 0.974 9.165 -2.534 1.00 0.00 N ATOM 749 CA MET A 48 1.246 10.539 -2.023 1.00 0.00 C ATOM 750 C MET A 48 1.289 11.548 -3.178 1.00 0.00 C ATOM 751 O MET A 48 2.197 11.516 -3.983 1.00 0.00 O ATOM 752 CB MET A 48 2.603 10.544 -1.316 1.00 0.00 C ATOM 753 CG MET A 48 3.641 9.852 -2.201 1.00 0.00 C ATOM 754 SD MET A 48 4.995 11.002 -2.555 1.00 0.00 S ATOM 755 CE MET A 48 6.243 10.216 -1.506 1.00 0.00 C ATOM 0 H MET A 48 1.774 8.532 -2.517 1.00 0.00 H new ATOM 0 HA MET A 48 0.450 10.822 -1.334 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.912 11.568 -1.107 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.527 10.032 -0.357 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.026 8.963 -1.701 1.00 0.00 H new ATOM 0 HG3 MET A 48 3.179 9.520 -3.131 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.054 10.919 -1.316 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.789 9.921 -0.560 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.639 9.334 -2.010 1.00 0.00 H new ATOM 765 N PRO A 49 0.323 12.438 -3.211 1.00 0.00 N ATOM 766 CA PRO A 49 0.254 13.488 -4.238 1.00 0.00 C ATOM 767 C PRO A 49 1.172 14.630 -3.802 1.00 0.00 C ATOM 768 O PRO A 49 2.011 15.101 -4.543 1.00 0.00 O ATOM 769 CB PRO A 49 -1.211 13.929 -4.207 1.00 0.00 C ATOM 770 CG PRO A 49 -1.751 13.542 -2.807 1.00 0.00 C ATOM 771 CD PRO A 49 -0.788 12.482 -2.236 1.00 0.00 C ATOM 0 HA PRO A 49 0.561 13.169 -5.234 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.298 15.003 -4.374 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.782 13.437 -4.994 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.796 14.415 -2.155 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.764 13.145 -2.879 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.435 12.759 -1.242 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.275 11.511 -2.143 1.00 0.00 H new ATOM 779 N ASP A 50 1.021 15.044 -2.575 1.00 0.00 N ATOM 780 CA ASP A 50 1.876 16.124 -2.016 1.00 0.00 C ATOM 781 C ASP A 50 2.307 15.705 -0.606 1.00 0.00 C ATOM 782 O ASP A 50 2.847 16.486 0.153 1.00 0.00 O ATOM 783 CB ASP A 50 1.079 17.429 -1.945 1.00 0.00 C ATOM 784 CG ASP A 50 1.858 18.543 -2.649 1.00 0.00 C ATOM 785 OD1 ASP A 50 2.179 18.370 -3.814 1.00 0.00 O ATOM 786 OD2 ASP A 50 2.120 19.549 -2.011 1.00 0.00 O ATOM 0 H ASP A 50 0.328 14.672 -1.926 1.00 0.00 H new ATOM 0 HA ASP A 50 2.749 16.282 -2.649 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.105 17.298 -2.416 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.896 17.700 -0.905 1.00 0.00 H new ATOM 791 N LEU A 51 2.061 14.467 -0.253 1.00 0.00 N ATOM 792 CA LEU A 51 2.439 13.967 1.096 1.00 0.00 C ATOM 793 C LEU A 51 3.862 14.407 1.433 1.00 0.00 C ATOM 794 O LEU A 51 4.683 14.611 0.560 1.00 0.00 O ATOM 795 CB LEU A 51 2.368 12.437 1.093 1.00 0.00 C ATOM 796 CG LEU A 51 1.712 11.944 2.381 1.00 0.00 C ATOM 797 CD1 LEU A 51 0.772 10.780 2.057 1.00 0.00 C ATOM 798 CD2 LEU A 51 2.797 11.470 3.350 1.00 0.00 C ATOM 0 H LEU A 51 1.609 13.777 -0.853 1.00 0.00 H new ATOM 0 HA LEU A 51 1.755 14.373 1.841 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.799 12.093 0.230 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.370 12.018 1.002 1.00 0.00 H new ATOM 0 HG LEU A 51 1.143 12.754 2.838 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.302 10.426 2.974 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.003 11.116 1.362 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.341 9.968 1.604 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.333 11.117 4.271 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.362 10.657 2.894 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.469 12.297 3.576 1.00 0.00 H new ATOM 810 N ASN A 52 4.166 14.548 2.694 1.00 0.00 N ATOM 811 CA ASN A 52 5.539 14.965 3.081 1.00 0.00 C ATOM 812 C ASN A 52 6.492 13.793 2.863 1.00 0.00 C ATOM 813 O ASN A 52 7.462 13.893 2.139 1.00 0.00 O ATOM 814 CB ASN A 52 5.553 15.375 4.555 1.00 0.00 C ATOM 815 CG ASN A 52 6.144 16.781 4.686 1.00 0.00 C ATOM 816 OD1 ASN A 52 5.445 17.763 4.531 1.00 0.00 O ATOM 817 ND2 ASN A 52 7.411 16.919 4.965 1.00 0.00 N ATOM 0 H ASN A 52 3.523 14.392 3.470 1.00 0.00 H new ATOM 0 HA ASN A 52 5.854 15.813 2.473 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.541 15.355 4.959 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.142 14.665 5.136 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.815 17.851 5.053 1.00 0.00 H new ATOM 0 HD22 ASN A 52 7.997 16.095 5.095 1.00 0.00 H new ATOM 824 N ALA A 53 6.212 12.678 3.479 1.00 0.00 N ATOM 825 CA ALA A 53 7.088 11.484 3.310 1.00 0.00 C ATOM 826 C ALA A 53 8.556 11.912 3.329 1.00 0.00 C ATOM 827 O ALA A 53 8.899 12.986 3.785 1.00 0.00 O ATOM 828 CB ALA A 53 6.771 10.811 1.973 1.00 0.00 C ATOM 0 H ALA A 53 5.411 12.542 4.095 1.00 0.00 H new ATOM 0 HA ALA A 53 6.908 10.784 4.126 1.00 0.00 H new ATOM 0 HB1 ALA A 53 7.410 9.937 1.845 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.726 10.502 1.960 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.951 11.514 1.160 1.00 0.00 H new ATOM 834 N ALA A 54 9.423 11.077 2.832 1.00 0.00 N ATOM 835 CA ALA A 54 10.874 11.415 2.807 1.00 0.00 C ATOM 836 C ALA A 54 11.622 10.276 2.118 1.00 0.00 C ATOM 837 O ALA A 54 12.255 9.459 2.757 1.00 0.00 O ATOM 838 CB ALA A 54 11.391 11.581 4.237 1.00 0.00 C ATOM 0 H ALA A 54 9.187 10.166 2.438 1.00 0.00 H new ATOM 0 HA ALA A 54 11.032 12.348 2.267 1.00 0.00 H new ATOM 0 HB1 ALA A 54 12.452 11.828 4.214 1.00 0.00 H new ATOM 0 HB2 ALA A 54 10.843 12.383 4.731 1.00 0.00 H new ATOM 0 HB3 ALA A 54 11.247 10.651 4.786 1.00 0.00 H new ATOM 844 N SER A 55 11.534 10.203 0.818 1.00 0.00 N ATOM 845 CA SER A 55 12.215 9.102 0.082 1.00 0.00 C ATOM 846 C SER A 55 11.378 7.831 0.233 1.00 0.00 C ATOM 847 O SER A 55 10.745 7.618 1.248 1.00 0.00 O ATOM 848 CB SER A 55 13.612 8.869 0.665 1.00 0.00 C ATOM 849 OG SER A 55 14.170 10.116 1.061 1.00 0.00 O ATOM 0 H SER A 55 11.018 10.860 0.233 1.00 0.00 H new ATOM 0 HA SER A 55 12.315 9.366 -0.971 1.00 0.00 H new ATOM 0 HB2 SER A 55 13.554 8.196 1.520 1.00 0.00 H new ATOM 0 HB3 SER A 55 14.252 8.390 -0.075 1.00 0.00 H new ATOM 0 HG SER A 55 15.064 9.970 1.436 1.00 0.00 H new ATOM 855 N ILE A 56 11.359 6.992 -0.766 1.00 0.00 N ATOM 856 CA ILE A 56 10.550 5.742 -0.671 1.00 0.00 C ATOM 857 C ILE A 56 10.727 5.127 0.718 1.00 0.00 C ATOM 858 O ILE A 56 9.789 4.639 1.318 1.00 0.00 O ATOM 859 CB ILE A 56 11.015 4.744 -1.735 1.00 0.00 C ATOM 860 CG1 ILE A 56 11.194 5.466 -3.076 1.00 0.00 C ATOM 861 CG2 ILE A 56 9.966 3.642 -1.888 1.00 0.00 C ATOM 862 CD1 ILE A 56 9.984 6.363 -3.343 1.00 0.00 C ATOM 0 H ILE A 56 11.867 7.116 -1.642 1.00 0.00 H new ATOM 0 HA ILE A 56 9.499 5.978 -0.835 1.00 0.00 H new ATOM 0 HB ILE A 56 11.966 4.306 -1.431 1.00 0.00 H new ATOM 0 HG12 ILE A 56 12.105 6.064 -3.060 1.00 0.00 H new ATOM 0 HG13 ILE A 56 11.304 4.738 -3.880 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.294 2.930 -2.645 1.00 0.00 H new ATOM 0 HG22 ILE A 56 9.838 3.127 -0.936 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.017 4.083 -2.192 1.00 0.00 H new ATOM 0 HD11 ILE A 56 10.114 6.875 -4.297 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.080 5.754 -3.378 1.00 0.00 H new ATOM 0 HD13 ILE A 56 9.894 7.100 -2.545 1.00 0.00 H new ATOM 874 N GLU A 57 11.921 5.155 1.237 1.00 0.00 N ATOM 875 CA GLU A 57 12.164 4.583 2.589 1.00 0.00 C ATOM 876 C GLU A 57 11.204 5.222 3.597 1.00 0.00 C ATOM 877 O GLU A 57 10.554 4.542 4.366 1.00 0.00 O ATOM 878 CB GLU A 57 13.608 4.870 3.009 1.00 0.00 C ATOM 879 CG GLU A 57 14.365 3.554 3.174 1.00 0.00 C ATOM 880 CD GLU A 57 15.760 3.835 3.733 1.00 0.00 C ATOM 881 OE1 GLU A 57 16.102 5.000 3.858 1.00 0.00 O ATOM 882 OE2 GLU A 57 16.463 2.883 4.025 1.00 0.00 O ATOM 0 H GLU A 57 12.743 5.551 0.781 1.00 0.00 H new ATOM 0 HA GLU A 57 11.997 3.506 2.563 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.098 5.492 2.260 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.621 5.428 3.945 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.820 2.890 3.845 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.442 3.044 2.214 1.00 0.00 H new ATOM 889 N ALA A 58 11.111 6.526 3.599 1.00 0.00 N ATOM 890 CA ALA A 58 10.196 7.209 4.558 1.00 0.00 C ATOM 891 C ALA A 58 8.743 6.893 4.195 1.00 0.00 C ATOM 892 O ALA A 58 7.963 6.466 5.025 1.00 0.00 O ATOM 893 CB ALA A 58 10.420 8.720 4.488 1.00 0.00 C ATOM 0 H ALA A 58 11.630 7.147 2.978 1.00 0.00 H new ATOM 0 HA ALA A 58 10.402 6.856 5.568 1.00 0.00 H new ATOM 0 HB1 ALA A 58 9.751 9.220 5.189 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.454 8.947 4.748 1.00 0.00 H new ATOM 0 HB3 ALA A 58 10.215 9.072 3.477 1.00 0.00 H new ATOM 899 N ALA A 59 8.373 7.095 2.959 1.00 0.00 N ATOM 900 CA ALA A 59 6.974 6.798 2.552 1.00 0.00 C ATOM 901 C ALA A 59 6.685 5.330 2.846 1.00 0.00 C ATOM 902 O ALA A 59 5.648 4.975 3.370 1.00 0.00 O ATOM 903 CB ALA A 59 6.804 7.064 1.056 1.00 0.00 C ATOM 0 H ALA A 59 8.977 7.451 2.218 1.00 0.00 H new ATOM 0 HA ALA A 59 6.283 7.434 3.105 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.778 6.845 0.762 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.027 8.110 0.845 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.486 6.427 0.493 1.00 0.00 H new ATOM 909 N MET A 60 7.613 4.479 2.523 1.00 0.00 N ATOM 910 CA MET A 60 7.432 3.028 2.788 1.00 0.00 C ATOM 911 C MET A 60 7.252 2.827 4.291 1.00 0.00 C ATOM 912 O MET A 60 6.617 1.890 4.734 1.00 0.00 O ATOM 913 CB MET A 60 8.671 2.268 2.309 1.00 0.00 C ATOM 914 CG MET A 60 8.405 0.762 2.361 1.00 0.00 C ATOM 915 SD MET A 60 9.438 -0.072 1.130 1.00 0.00 S ATOM 916 CE MET A 60 11.011 0.084 2.011 1.00 0.00 C ATOM 0 H MET A 60 8.498 4.729 2.082 1.00 0.00 H new ATOM 0 HA MET A 60 6.557 2.653 2.258 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.922 2.568 1.292 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.527 2.518 2.936 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.624 0.377 3.357 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.352 0.560 2.165 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.709 0.666 1.409 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.846 0.588 2.963 1.00 0.00 H new ATOM 0 HE3 MET A 60 11.427 -0.907 2.192 1.00 0.00 H new ATOM 926 N ARG A 61 7.793 3.715 5.082 1.00 0.00 N ATOM 927 CA ARG A 61 7.637 3.591 6.557 1.00 0.00 C ATOM 928 C ARG A 61 6.156 3.733 6.898 1.00 0.00 C ATOM 929 O ARG A 61 5.539 2.832 7.431 1.00 0.00 O ATOM 930 CB ARG A 61 8.429 4.700 7.253 1.00 0.00 C ATOM 931 CG ARG A 61 9.030 4.164 8.555 1.00 0.00 C ATOM 932 CD ARG A 61 10.537 4.421 8.566 1.00 0.00 C ATOM 933 NE ARG A 61 11.217 3.347 9.343 1.00 0.00 N ATOM 934 CZ ARG A 61 11.338 3.456 10.638 1.00 0.00 C ATOM 935 NH1 ARG A 61 12.112 4.374 11.145 1.00 0.00 N ATOM 936 NH2 ARG A 61 10.685 2.645 11.425 1.00 0.00 N ATOM 0 H ARG A 61 8.336 4.520 4.769 1.00 0.00 H new ATOM 0 HA ARG A 61 8.010 2.624 6.893 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.221 5.061 6.597 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.778 5.548 7.464 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.561 4.650 9.411 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.832 3.096 8.647 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.920 4.445 7.546 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.748 5.394 9.009 1.00 0.00 H new ATOM 0 HE ARG A 61 11.588 2.527 8.863 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.623 5.007 10.530 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.207 4.459 12.157 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.080 1.926 11.028 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.780 2.730 12.437 1.00 0.00 H new ATOM 950 N MET A 62 5.577 4.858 6.578 1.00 0.00 N ATOM 951 CA MET A 62 4.130 5.059 6.866 1.00 0.00 C ATOM 952 C MET A 62 3.307 4.179 5.922 1.00 0.00 C ATOM 953 O MET A 62 2.216 3.754 6.244 1.00 0.00 O ATOM 954 CB MET A 62 3.763 6.528 6.642 1.00 0.00 C ATOM 955 CG MET A 62 3.740 7.260 7.984 1.00 0.00 C ATOM 956 SD MET A 62 2.728 8.753 7.836 1.00 0.00 S ATOM 957 CE MET A 62 3.513 9.413 6.344 1.00 0.00 C ATOM 0 H MET A 62 6.044 5.646 6.130 1.00 0.00 H new ATOM 0 HA MET A 62 3.920 4.789 7.901 1.00 0.00 H new ATOM 0 HB2 MET A 62 4.485 6.996 5.973 1.00 0.00 H new ATOM 0 HB3 MET A 62 2.788 6.601 6.160 1.00 0.00 H new ATOM 0 HG2 MET A 62 3.336 6.609 8.759 1.00 0.00 H new ATOM 0 HG3 MET A 62 4.754 7.523 8.285 1.00 0.00 H new ATOM 0 HE1 MET A 62 3.349 10.489 6.292 1.00 0.00 H new ATOM 0 HE2 MET A 62 4.584 9.210 6.376 1.00 0.00 H new ATOM 0 HE3 MET A 62 3.080 8.937 5.464 1.00 0.00 H new ATOM 967 N ILE A 63 3.827 3.906 4.756 1.00 0.00 N ATOM 968 CA ILE A 63 3.086 3.058 3.779 1.00 0.00 C ATOM 969 C ILE A 63 3.152 1.592 4.219 1.00 0.00 C ATOM 970 O ILE A 63 2.225 0.830 4.019 1.00 0.00 O ATOM 971 CB ILE A 63 3.720 3.223 2.390 1.00 0.00 C ATOM 972 CG1 ILE A 63 3.210 4.520 1.757 1.00 0.00 C ATOM 973 CG2 ILE A 63 3.338 2.042 1.491 1.00 0.00 C ATOM 974 CD1 ILE A 63 1.699 4.425 1.544 1.00 0.00 C ATOM 0 H ILE A 63 4.738 4.236 4.437 1.00 0.00 H new ATOM 0 HA ILE A 63 2.041 3.366 3.737 1.00 0.00 H new ATOM 0 HB ILE A 63 4.804 3.256 2.494 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.444 5.368 2.401 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.712 4.694 0.805 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.793 2.170 0.509 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.695 1.114 1.938 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.254 2.001 1.386 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.336 5.349 1.093 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.477 3.587 0.883 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.205 4.271 2.504 1.00 0.00 H new ATOM 986 N GLU A 64 4.239 1.188 4.813 1.00 0.00 N ATOM 987 CA GLU A 64 4.361 -0.229 5.260 1.00 0.00 C ATOM 988 C GLU A 64 3.291 -0.530 6.312 1.00 0.00 C ATOM 989 O GLU A 64 2.417 -1.348 6.104 1.00 0.00 O ATOM 990 CB GLU A 64 5.745 -0.458 5.867 1.00 0.00 C ATOM 991 CG GLU A 64 6.692 -0.987 4.790 1.00 0.00 C ATOM 992 CD GLU A 64 7.855 -1.728 5.455 1.00 0.00 C ATOM 993 OE1 GLU A 64 8.408 -1.193 6.402 1.00 0.00 O ATOM 994 OE2 GLU A 64 8.173 -2.816 5.005 1.00 0.00 O ATOM 0 H GLU A 64 5.049 1.777 5.009 1.00 0.00 H new ATOM 0 HA GLU A 64 4.225 -0.889 4.403 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.131 0.474 6.280 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.680 -1.169 6.690 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.157 -1.657 4.117 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.070 -0.162 4.185 1.00 0.00 H new ATOM 1001 N GLY A 65 3.359 0.120 7.443 1.00 0.00 N ATOM 1002 CA GLY A 65 2.351 -0.129 8.511 1.00 0.00 C ATOM 1003 C GLY A 65 0.959 -0.238 7.890 1.00 0.00 C ATOM 1004 O GLY A 65 0.086 -0.904 8.412 1.00 0.00 O ATOM 0 H GLY A 65 4.071 0.814 7.673 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.594 -1.047 9.047 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.372 0.681 9.240 1.00 0.00 H new ATOM 1008 N THR A 66 0.743 0.411 6.782 1.00 0.00 N ATOM 1009 CA THR A 66 -0.594 0.343 6.131 1.00 0.00 C ATOM 1010 C THR A 66 -0.809 -1.058 5.549 1.00 0.00 C ATOM 1011 O THR A 66 -1.801 -1.705 5.821 1.00 0.00 O ATOM 1012 CB THR A 66 -0.668 1.384 5.011 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.560 2.685 5.573 1.00 0.00 O ATOM 1014 CG2 THR A 66 -2.005 1.253 4.279 1.00 0.00 C ATOM 0 H THR A 66 1.434 0.985 6.299 1.00 0.00 H new ATOM 0 HA THR A 66 -1.370 0.549 6.868 1.00 0.00 H new ATOM 0 HB THR A 66 0.147 1.221 4.306 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.383 2.893 5.737 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.057 1.994 3.482 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.089 0.254 3.852 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.822 1.417 4.981 1.00 0.00 H new ATOM 1022 N ALA A 67 0.114 -1.534 4.757 1.00 0.00 N ATOM 1023 CA ALA A 67 -0.043 -2.895 4.166 1.00 0.00 C ATOM 1024 C ALA A 67 -0.241 -3.917 5.285 1.00 0.00 C ATOM 1025 O ALA A 67 -0.880 -4.934 5.106 1.00 0.00 O ATOM 1026 CB ALA A 67 1.213 -3.250 3.368 1.00 0.00 C ATOM 0 H ALA A 67 0.968 -1.041 4.494 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.910 -2.907 3.506 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.100 -4.244 2.935 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.355 -2.521 2.570 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.080 -3.238 4.029 1.00 0.00 H new ATOM 1032 N ARG A 68 0.308 -3.656 6.439 1.00 0.00 N ATOM 1033 CA ARG A 68 0.156 -4.612 7.572 1.00 0.00 C ATOM 1034 C ARG A 68 -1.325 -4.761 7.939 1.00 0.00 C ATOM 1035 O ARG A 68 -1.695 -5.625 8.707 1.00 0.00 O ATOM 1036 CB ARG A 68 0.929 -4.091 8.784 1.00 0.00 C ATOM 1037 CG ARG A 68 2.097 -5.029 9.089 1.00 0.00 C ATOM 1038 CD ARG A 68 1.602 -6.198 9.940 1.00 0.00 C ATOM 1039 NE ARG A 68 2.471 -6.343 11.141 1.00 0.00 N ATOM 1040 CZ ARG A 68 2.123 -5.788 12.270 1.00 0.00 C ATOM 1041 NH1 ARG A 68 1.285 -6.397 13.064 1.00 0.00 N ATOM 1042 NH2 ARG A 68 2.611 -4.626 12.605 1.00 0.00 N ATOM 0 H ARG A 68 0.856 -2.821 6.647 1.00 0.00 H new ATOM 0 HA ARG A 68 0.550 -5.584 7.274 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.299 -3.085 8.587 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.268 -4.024 9.648 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.532 -5.399 8.161 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.883 -4.489 9.616 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.569 -6.028 10.244 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.615 -7.118 9.356 1.00 0.00 H new ATOM 0 HE ARG A 68 3.338 -6.876 11.081 1.00 0.00 H new ATOM 0 HH11 ARG A 68 0.903 -7.306 12.802 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.012 -5.964 13.947 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.266 -4.150 11.984 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.338 -4.193 13.488 1.00 0.00 H new ATOM 1056 N SER A 69 -2.175 -3.925 7.404 1.00 0.00 N ATOM 1057 CA SER A 69 -3.624 -4.031 7.735 1.00 0.00 C ATOM 1058 C SER A 69 -4.221 -5.243 7.017 1.00 0.00 C ATOM 1059 O SER A 69 -5.260 -5.748 7.393 1.00 0.00 O ATOM 1060 CB SER A 69 -4.343 -2.760 7.284 1.00 0.00 C ATOM 1061 OG SER A 69 -4.919 -2.119 8.415 1.00 0.00 O ATOM 0 H SER A 69 -1.929 -3.177 6.755 1.00 0.00 H new ATOM 0 HA SER A 69 -3.746 -4.152 8.811 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.642 -2.088 6.789 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.117 -3.005 6.557 1.00 0.00 H new ATOM 0 HG SER A 69 -5.379 -1.303 8.129 1.00 0.00 H new ATOM 1067 N MET A 70 -3.567 -5.719 5.994 1.00 0.00 N ATOM 1068 CA MET A 70 -4.092 -6.905 5.260 1.00 0.00 C ATOM 1069 C MET A 70 -3.021 -7.995 5.237 1.00 0.00 C ATOM 1070 O MET A 70 -3.168 -9.037 5.844 1.00 0.00 O ATOM 1071 CB MET A 70 -4.438 -6.514 3.823 1.00 0.00 C ATOM 1072 CG MET A 70 -5.057 -5.117 3.806 1.00 0.00 C ATOM 1073 SD MET A 70 -6.729 -5.191 4.497 1.00 0.00 S ATOM 1074 CE MET A 70 -7.313 -3.610 3.838 1.00 0.00 C ATOM 0 H MET A 70 -2.692 -5.338 5.634 1.00 0.00 H new ATOM 0 HA MET A 70 -4.988 -7.272 5.761 1.00 0.00 H new ATOM 0 HB2 MET A 70 -3.541 -6.533 3.204 1.00 0.00 H new ATOM 0 HB3 MET A 70 -5.134 -7.236 3.397 1.00 0.00 H new ATOM 0 HG2 MET A 70 -4.442 -4.428 4.385 1.00 0.00 H new ATOM 0 HG3 MET A 70 -5.090 -4.734 2.786 1.00 0.00 H new ATOM 0 HE1 MET A 70 -8.366 -3.479 4.087 1.00 0.00 H new ATOM 0 HE2 MET A 70 -6.733 -2.797 4.275 1.00 0.00 H new ATOM 0 HE3 MET A 70 -7.192 -3.600 2.755 1.00 0.00 H new ATOM 1084 N GLY A 71 -1.945 -7.758 4.540 1.00 0.00 N ATOM 1085 CA GLY A 71 -0.863 -8.781 4.478 1.00 0.00 C ATOM 1086 C GLY A 71 0.055 -8.506 3.283 1.00 0.00 C ATOM 1087 O GLY A 71 0.599 -9.415 2.683 1.00 0.00 O ATOM 0 H GLY A 71 -1.768 -6.903 4.012 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.285 -8.766 5.402 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.298 -9.777 4.391 1.00 0.00 H new ATOM 1091 N ILE A 72 0.240 -7.259 2.935 1.00 0.00 N ATOM 1092 CA ILE A 72 1.127 -6.925 1.787 1.00 0.00 C ATOM 1093 C ILE A 72 2.541 -6.656 2.306 1.00 0.00 C ATOM 1094 O ILE A 72 2.906 -5.532 2.581 1.00 0.00 O ATOM 1095 CB ILE A 72 0.597 -5.680 1.073 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.903 -5.837 0.817 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.324 -5.507 -0.260 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.674 -4.814 1.652 1.00 0.00 C ATOM 0 H ILE A 72 -0.187 -6.457 3.399 1.00 0.00 H new ATOM 0 HA ILE A 72 1.147 -7.759 1.085 1.00 0.00 H new ATOM 0 HB ILE A 72 0.770 -4.804 1.698 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.119 -5.694 -0.242 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.223 -6.847 1.074 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.946 -4.620 -0.768 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.393 -5.394 -0.079 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.152 -6.384 -0.885 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.743 -4.926 1.469 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.468 -4.978 2.710 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.362 -3.807 1.373 1.00 0.00 H new ATOM 1110 N VAL A 73 3.337 -7.678 2.449 1.00 0.00 N ATOM 1111 CA VAL A 73 4.719 -7.477 2.959 1.00 0.00 C ATOM 1112 C VAL A 73 5.564 -6.752 1.911 1.00 0.00 C ATOM 1113 O VAL A 73 5.170 -6.598 0.771 1.00 0.00 O ATOM 1114 CB VAL A 73 5.350 -8.834 3.267 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.599 -8.632 4.125 1.00 0.00 C ATOM 1116 CG2 VAL A 73 4.341 -9.697 4.026 1.00 0.00 C ATOM 0 H VAL A 73 3.089 -8.644 2.234 1.00 0.00 H new ATOM 0 HA VAL A 73 4.679 -6.874 3.866 1.00 0.00 H new ATOM 0 HB VAL A 73 5.628 -9.330 2.337 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.050 -9.600 4.345 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.315 -8.013 3.585 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.324 -8.139 5.058 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.786 -10.667 4.248 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.066 -9.202 4.957 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.450 -9.839 3.414 1.00 0.00 H new ATOM 1126 N VAL A 74 6.726 -6.310 2.296 1.00 0.00 N ATOM 1127 CA VAL A 74 7.619 -5.595 1.343 1.00 0.00 C ATOM 1128 C VAL A 74 9.071 -5.923 1.685 1.00 0.00 C ATOM 1129 O VAL A 74 9.493 -5.820 2.819 1.00 0.00 O ATOM 1130 CB VAL A 74 7.387 -4.089 1.465 1.00 0.00 C ATOM 1131 CG1 VAL A 74 8.205 -3.357 0.399 1.00 0.00 C ATOM 1132 CG2 VAL A 74 5.900 -3.787 1.265 1.00 0.00 C ATOM 0 H VAL A 74 7.100 -6.414 3.239 1.00 0.00 H new ATOM 0 HA VAL A 74 7.404 -5.909 0.322 1.00 0.00 H new ATOM 0 HB VAL A 74 7.698 -3.752 2.454 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.039 -2.283 0.487 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.264 -3.573 0.541 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.896 -3.692 -0.591 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.732 -2.714 1.352 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.590 -4.124 0.276 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.318 -4.308 2.025 1.00 0.00 H new ATOM 1142 N GLU A 75 9.838 -6.335 0.714 1.00 0.00 N ATOM 1143 CA GLU A 75 11.261 -6.690 0.985 1.00 0.00 C ATOM 1144 C GLU A 75 12.181 -5.851 0.101 1.00 0.00 C ATOM 1145 O GLU A 75 11.759 -5.271 -0.879 1.00 0.00 O ATOM 1146 CB GLU A 75 11.486 -8.176 0.687 1.00 0.00 C ATOM 1147 CG GLU A 75 10.186 -8.952 0.913 1.00 0.00 C ATOM 1148 CD GLU A 75 10.471 -10.454 0.854 1.00 0.00 C ATOM 1149 OE1 GLU A 75 11.541 -10.817 0.395 1.00 0.00 O ATOM 1150 OE2 GLU A 75 9.613 -11.216 1.269 1.00 0.00 O ATOM 0 H GLU A 75 9.542 -6.442 -0.256 1.00 0.00 H new ATOM 0 HA GLU A 75 11.486 -6.490 2.033 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.822 -8.303 -0.342 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.272 -8.570 1.330 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.757 -8.690 1.880 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.451 -8.680 0.155 1.00 0.00 H new ATOM 1157 N ASP A 76 13.438 -5.786 0.442 1.00 0.00 N ATOM 1158 CA ASP A 76 14.388 -4.987 -0.377 1.00 0.00 C ATOM 1159 C ASP A 76 15.825 -5.380 -0.029 1.00 0.00 C ATOM 1160 O ASP A 76 16.716 -5.005 -0.771 1.00 0.00 O ATOM 1161 CB ASP A 76 14.183 -3.498 -0.089 1.00 0.00 C ATOM 1162 CG ASP A 76 15.073 -2.672 -1.018 1.00 0.00 C ATOM 1163 OD1 ASP A 76 14.812 -2.669 -2.209 1.00 0.00 O ATOM 1164 OD2 ASP A 76 16.003 -2.056 -0.522 1.00 0.00 O ATOM 1165 OXT ASP A 76 16.008 -6.048 0.975 1.00 0.00 O ATOM 0 H ASP A 76 13.847 -6.252 1.252 1.00 0.00 H new ATOM 0 HA ASP A 76 14.206 -5.183 -1.434 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.137 -3.229 -0.236 1.00 0.00 H new ATOM 0 HB3 ASP A 76 14.425 -3.281 0.951 1.00 0.00 H new