USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=10 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 Set 1.1: A 52 ASN : amide:sc= -1.17! C(o=-2.3!,f=-2.9!) USER MOD Set 1.2: A 62 MET CE :methyl -117:sc= -1.15 (180deg=-2.24!) USER MOD Single : A 7 THR OG1 : rot -83:sc= -2.07! 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= 0.00317 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+ 168:sc= -3.3! (180deg=-3.95!) USER MOD Single : A 48 MET CE :methyl -120:sc= -0.182 (180deg=-1.72!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -110:sc= -0.111 (180deg=-2.22) USER MOD Single : A 66 THR OG1 : rot 103:sc= 1.3 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 149:sc= -0.987 (180deg=-3.03!) USER MOD ----------------------------------------------------------------- ATOM 109 N THR A 7 -6.327 8.353 -6.377 1.00 0.00 N ATOM 110 CA THR A 7 -5.607 7.182 -5.801 1.00 0.00 C ATOM 111 C THR A 7 -6.391 6.622 -4.607 1.00 0.00 C ATOM 112 O THR A 7 -7.029 7.363 -3.886 1.00 0.00 O ATOM 113 CB THR A 7 -4.216 7.619 -5.329 1.00 0.00 C ATOM 114 OG1 THR A 7 -3.580 6.535 -4.666 1.00 0.00 O ATOM 115 CG2 THR A 7 -4.347 8.802 -4.367 1.00 0.00 C ATOM 0 HA THR A 7 -5.513 6.411 -6.566 1.00 0.00 H new ATOM 0 HB THR A 7 -3.619 7.920 -6.190 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.881 6.500 -3.734 1.00 0.00 H new ATOM 0 HG21 THR A 7 -3.356 9.111 -4.033 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.833 9.634 -4.877 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.945 8.506 -3.505 1.00 0.00 H new ATOM 123 N PRO A 8 -6.308 5.325 -4.434 1.00 0.00 N ATOM 124 CA PRO A 8 -6.987 4.620 -3.329 1.00 0.00 C ATOM 125 C PRO A 8 -6.200 4.816 -2.030 1.00 0.00 C ATOM 126 O PRO A 8 -5.157 5.437 -2.036 1.00 0.00 O ATOM 127 CB PRO A 8 -6.958 3.152 -3.774 1.00 0.00 C ATOM 128 CG PRO A 8 -5.803 3.025 -4.796 1.00 0.00 C ATOM 129 CD PRO A 8 -5.527 4.442 -5.328 1.00 0.00 C ATOM 0 HA PRO A 8 -7.998 4.978 -3.135 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.796 2.492 -2.922 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.908 2.864 -4.225 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -4.913 2.608 -4.325 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.078 2.353 -5.609 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.464 4.680 -5.293 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.843 4.546 -6.366 1.00 0.00 H new ATOM 137 N PRO A 9 -6.713 4.280 -0.950 1.00 0.00 N ATOM 138 CA PRO A 9 -6.056 4.389 0.361 1.00 0.00 C ATOM 139 C PRO A 9 -4.842 3.453 0.426 1.00 0.00 C ATOM 140 O PRO A 9 -4.772 2.460 -0.271 1.00 0.00 O ATOM 141 CB PRO A 9 -7.151 3.986 1.353 1.00 0.00 C ATOM 142 CG PRO A 9 -8.184 3.157 0.553 1.00 0.00 C ATOM 143 CD PRO A 9 -7.983 3.522 -0.934 1.00 0.00 C ATOM 0 HA PRO A 9 -5.666 5.385 0.573 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.735 3.401 2.173 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -7.618 4.866 1.794 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.033 2.090 0.714 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.199 3.388 0.875 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.923 2.631 -1.559 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.810 4.122 -1.313 1.00 0.00 H new ATOM 151 N ALA A 10 -3.879 3.778 1.244 1.00 0.00 N ATOM 152 CA ALA A 10 -2.656 2.933 1.346 1.00 0.00 C ATOM 153 C ALA A 10 -3.028 1.452 1.350 1.00 0.00 C ATOM 154 O ALA A 10 -2.791 0.738 0.394 1.00 0.00 O ATOM 155 CB ALA A 10 -1.915 3.270 2.642 1.00 0.00 C ATOM 0 H ALA A 10 -3.887 4.598 1.850 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.017 3.134 0.486 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.019 2.653 2.720 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.632 4.322 2.636 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.565 3.074 3.494 1.00 0.00 H new ATOM 161 N ALA A 11 -3.593 0.978 2.423 1.00 0.00 N ATOM 162 CA ALA A 11 -3.960 -0.464 2.496 1.00 0.00 C ATOM 163 C ALA A 11 -4.613 -0.904 1.183 1.00 0.00 C ATOM 164 O ALA A 11 -4.010 -1.595 0.386 1.00 0.00 O ATOM 165 CB ALA A 11 -4.931 -0.688 3.655 1.00 0.00 C ATOM 0 H ALA A 11 -3.817 1.526 3.254 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.059 -1.054 2.660 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.198 -1.743 3.707 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.458 -0.387 4.590 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.831 -0.093 3.496 1.00 0.00 H new ATOM 171 N VAL A 12 -5.841 -0.523 0.951 1.00 0.00 N ATOM 172 CA VAL A 12 -6.521 -0.937 -0.311 1.00 0.00 C ATOM 173 C VAL A 12 -5.558 -0.777 -1.489 1.00 0.00 C ATOM 174 O VAL A 12 -5.421 -1.658 -2.313 1.00 0.00 O ATOM 175 CB VAL A 12 -7.755 -0.068 -0.543 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.423 -0.479 -1.855 1.00 0.00 C ATOM 177 CG2 VAL A 12 -8.741 -0.262 0.612 1.00 0.00 C ATOM 0 H VAL A 12 -6.401 0.055 1.578 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.825 -1.980 -0.227 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.459 0.980 -0.595 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.305 0.139 -2.024 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.722 -0.344 -2.678 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.720 -1.526 -1.800 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.622 0.358 0.446 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.039 -1.309 0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.265 0.027 1.549 1.00 0.00 H new ATOM 187 N LEU A 13 -4.888 0.338 -1.576 1.00 0.00 N ATOM 188 CA LEU A 13 -3.934 0.549 -2.701 1.00 0.00 C ATOM 189 C LEU A 13 -2.918 -0.586 -2.716 1.00 0.00 C ATOM 190 O LEU A 13 -2.682 -1.216 -3.727 1.00 0.00 O ATOM 191 CB LEU A 13 -3.211 1.880 -2.504 1.00 0.00 C ATOM 192 CG LEU A 13 -2.002 1.962 -3.436 1.00 0.00 C ATOM 193 CD1 LEU A 13 -2.444 1.685 -4.873 1.00 0.00 C ATOM 194 CD2 LEU A 13 -1.396 3.364 -3.351 1.00 0.00 C ATOM 0 H LEU A 13 -4.960 1.113 -0.917 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.475 0.566 -3.647 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.892 2.707 -2.705 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.889 1.978 -1.467 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.260 1.222 -3.138 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.581 1.744 -5.537 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.881 0.688 -4.933 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.185 2.425 -5.175 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.533 3.428 -4.014 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.140 4.101 -3.652 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.082 3.563 -2.326 1.00 0.00 H new ATOM 206 N LEU A 14 -2.320 -0.851 -1.596 1.00 0.00 N ATOM 207 CA LEU A 14 -1.318 -1.947 -1.526 1.00 0.00 C ATOM 208 C LEU A 14 -2.031 -3.280 -1.740 1.00 0.00 C ATOM 209 O LEU A 14 -1.626 -4.088 -2.553 1.00 0.00 O ATOM 210 CB LEU A 14 -0.638 -1.929 -0.154 1.00 0.00 C ATOM 211 CG LEU A 14 0.175 -0.641 -0.012 1.00 0.00 C ATOM 212 CD1 LEU A 14 -0.360 0.176 1.166 1.00 0.00 C ATOM 213 CD2 LEU A 14 1.644 -0.989 0.235 1.00 0.00 C ATOM 0 H LEU A 14 -2.481 -0.355 -0.720 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.560 -1.812 -2.297 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.386 -1.990 0.637 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.012 -2.797 -0.046 1.00 0.00 H new ATOM 0 HG LEU A 14 0.089 -0.056 -0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.220 1.093 1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.406 0.426 0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.276 -0.408 2.082 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.223 -0.071 0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.730 -1.575 1.150 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.027 -1.569 -0.605 1.00 0.00 H new ATOM 225 N LYS A 15 -3.105 -3.511 -1.030 1.00 0.00 N ATOM 226 CA LYS A 15 -3.853 -4.784 -1.214 1.00 0.00 C ATOM 227 C LYS A 15 -4.254 -4.902 -2.686 1.00 0.00 C ATOM 228 O LYS A 15 -4.212 -5.961 -3.277 1.00 0.00 O ATOM 229 CB LYS A 15 -5.110 -4.774 -0.341 1.00 0.00 C ATOM 230 CG LYS A 15 -5.792 -6.142 -0.413 1.00 0.00 C ATOM 231 CD LYS A 15 -7.033 -6.143 0.483 1.00 0.00 C ATOM 232 CE LYS A 15 -8.277 -6.418 -0.365 1.00 0.00 C ATOM 233 NZ LYS A 15 -9.335 -7.032 0.487 1.00 0.00 N ATOM 0 H LYS A 15 -3.493 -2.874 -0.334 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.228 -5.629 -0.926 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.847 -4.541 0.691 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.795 -3.996 -0.679 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.073 -6.366 -1.442 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.100 -6.922 -0.095 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.934 -6.903 1.258 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.130 -5.182 0.989 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.643 -5.490 -0.805 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.027 -7.085 -1.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.180 -7.219 -0.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.984 -7.926 0.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.580 -6.380 1.260 1.00 0.00 H new ATOM 247 N LYS A 16 -4.643 -3.813 -3.282 1.00 0.00 N ATOM 248 CA LYS A 16 -5.036 -3.855 -4.713 1.00 0.00 C ATOM 249 C LYS A 16 -3.789 -3.997 -5.574 1.00 0.00 C ATOM 250 O LYS A 16 -3.659 -4.909 -6.368 1.00 0.00 O ATOM 251 CB LYS A 16 -5.770 -2.565 -5.084 1.00 0.00 C ATOM 252 CG LYS A 16 -7.236 -2.669 -4.660 1.00 0.00 C ATOM 253 CD LYS A 16 -8.031 -1.527 -5.295 1.00 0.00 C ATOM 254 CE LYS A 16 -8.183 -1.783 -6.796 1.00 0.00 C ATOM 255 NZ LYS A 16 -8.179 -0.484 -7.526 1.00 0.00 N ATOM 0 H LYS A 16 -4.706 -2.896 -2.840 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.696 -4.705 -4.883 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.299 -1.713 -4.594 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.703 -2.392 -6.158 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.648 -3.630 -4.969 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.316 -2.623 -3.574 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.013 -1.449 -4.827 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.522 -0.578 -5.127 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.369 -2.415 -7.152 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.112 -2.319 -6.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.282 -0.659 -8.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.970 0.104 -7.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.282 0.011 -7.349 1.00 0.00 H new ATOM 269 N ALA A 17 -2.881 -3.086 -5.430 1.00 0.00 N ATOM 270 CA ALA A 17 -1.631 -3.131 -6.243 1.00 0.00 C ATOM 271 C ALA A 17 -0.801 -4.376 -5.905 1.00 0.00 C ATOM 272 O ALA A 17 -0.779 -5.339 -6.645 1.00 0.00 O ATOM 273 CB ALA A 17 -0.801 -1.876 -5.966 1.00 0.00 C ATOM 0 H ALA A 17 -2.945 -2.302 -4.780 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.905 -3.174 -7.297 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.113 -1.906 -6.559 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.378 -0.991 -6.234 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.546 -1.835 -4.907 1.00 0.00 H new ATOM 279 N ALA A 18 -0.095 -4.351 -4.806 1.00 0.00 N ATOM 280 CA ALA A 18 0.762 -5.513 -4.428 1.00 0.00 C ATOM 281 C ALA A 18 -0.073 -6.616 -3.778 1.00 0.00 C ATOM 282 O ALA A 18 0.391 -7.723 -3.593 1.00 0.00 O ATOM 283 CB ALA A 18 1.837 -5.050 -3.445 1.00 0.00 C ATOM 0 H ALA A 18 -0.075 -3.571 -4.150 1.00 0.00 H new ATOM 0 HA ALA A 18 1.224 -5.912 -5.331 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.465 -5.897 -3.167 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.451 -4.281 -3.913 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.363 -4.642 -2.553 1.00 0.00 H new ATOM 289 N GLY A 19 -1.293 -6.333 -3.422 1.00 0.00 N ATOM 290 CA GLY A 19 -2.130 -7.385 -2.778 1.00 0.00 C ATOM 291 C GLY A 19 -2.850 -8.204 -3.849 1.00 0.00 C ATOM 292 O GLY A 19 -3.885 -8.788 -3.604 1.00 0.00 O ATOM 0 H GLY A 19 -1.746 -5.427 -3.547 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.505 -8.037 -2.168 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.857 -6.925 -2.109 1.00 0.00 H new ATOM 447 N LYS A 31 -0.700 -12.541 5.348 1.00 0.00 N ATOM 448 CA LYS A 31 0.429 -12.977 4.480 1.00 0.00 C ATOM 449 C LYS A 31 -0.124 -13.499 3.152 1.00 0.00 C ATOM 450 O LYS A 31 0.032 -14.655 2.816 1.00 0.00 O ATOM 451 CB LYS A 31 1.205 -14.094 5.180 1.00 0.00 C ATOM 452 CG LYS A 31 2.118 -13.491 6.249 1.00 0.00 C ATOM 453 CD LYS A 31 3.544 -13.388 5.707 1.00 0.00 C ATOM 454 CE LYS A 31 4.513 -14.048 6.688 1.00 0.00 C ATOM 455 NZ LYS A 31 5.902 -13.593 6.399 1.00 0.00 N ATOM 0 HA LYS A 31 1.093 -12.133 4.293 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.512 -14.802 5.636 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.797 -14.650 4.453 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.755 -12.504 6.537 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.103 -14.110 7.146 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.610 -13.873 4.733 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.814 -12.342 5.561 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.241 -13.792 7.712 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.450 -15.133 6.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.561 -14.042 7.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.159 -13.859 5.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.957 -12.559 6.501 1.00 0.00 H new ATOM 469 N VAL A 32 -0.770 -12.655 2.396 1.00 0.00 N ATOM 470 CA VAL A 32 -1.333 -13.106 1.092 1.00 0.00 C ATOM 471 C VAL A 32 -0.714 -12.297 -0.045 1.00 0.00 C ATOM 472 O VAL A 32 -1.091 -12.437 -1.192 1.00 0.00 O ATOM 473 CB VAL A 32 -2.847 -12.898 1.086 1.00 0.00 C ATOM 474 CG1 VAL A 32 -3.464 -13.593 2.299 1.00 0.00 C ATOM 475 CG2 VAL A 32 -3.152 -11.398 1.147 1.00 0.00 C ATOM 0 H VAL A 32 -0.932 -11.674 2.624 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.107 -14.163 0.954 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.269 -13.321 0.174 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.544 -13.444 2.294 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.245 -14.660 2.258 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.044 -13.172 3.212 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.231 -11.246 1.143 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.730 -10.978 2.060 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.712 -10.902 0.282 1.00 0.00 H new ATOM 485 N ALA A 33 0.227 -11.450 0.257 1.00 0.00 N ATOM 486 CA ALA A 33 0.853 -10.636 -0.820 1.00 0.00 C ATOM 487 C ALA A 33 2.277 -10.248 -0.420 1.00 0.00 C ATOM 488 O ALA A 33 2.488 -9.345 0.364 1.00 0.00 O ATOM 489 CB ALA A 33 0.026 -9.370 -1.040 1.00 0.00 C ATOM 0 H ALA A 33 0.589 -11.286 1.197 1.00 0.00 H new ATOM 0 HA ALA A 33 0.886 -11.221 -1.739 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.481 -8.771 -1.828 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.988 -9.644 -1.332 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.006 -8.791 -0.117 1.00 0.00 H new ATOM 495 N THR A 34 3.255 -10.918 -0.963 1.00 0.00 N ATOM 496 CA THR A 34 4.665 -10.583 -0.625 1.00 0.00 C ATOM 497 C THR A 34 5.319 -9.902 -1.828 1.00 0.00 C ATOM 498 O THR A 34 5.390 -10.460 -2.905 1.00 0.00 O ATOM 499 CB THR A 34 5.429 -11.866 -0.284 1.00 0.00 C ATOM 500 OG1 THR A 34 4.555 -12.980 -0.398 1.00 0.00 O ATOM 501 CG2 THR A 34 5.964 -11.778 1.147 1.00 0.00 C ATOM 0 H THR A 34 3.138 -11.684 -1.627 1.00 0.00 H new ATOM 0 HA THR A 34 4.688 -9.913 0.234 1.00 0.00 H new ATOM 0 HB THR A 34 6.264 -11.987 -0.974 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.043 -13.802 -0.182 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.508 -12.691 1.389 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.635 -10.923 1.233 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.131 -11.657 1.840 1.00 0.00 H new ATOM 509 N ILE A 35 5.797 -8.701 -1.655 1.00 0.00 N ATOM 510 CA ILE A 35 6.445 -7.990 -2.797 1.00 0.00 C ATOM 511 C ILE A 35 7.664 -7.224 -2.292 1.00 0.00 C ATOM 512 O ILE A 35 7.786 -6.937 -1.122 1.00 0.00 O ATOM 513 CB ILE A 35 5.457 -7.001 -3.424 1.00 0.00 C ATOM 514 CG1 ILE A 35 4.682 -6.274 -2.319 1.00 0.00 C ATOM 515 CG2 ILE A 35 4.475 -7.758 -4.320 1.00 0.00 C ATOM 516 CD1 ILE A 35 5.080 -4.797 -2.304 1.00 0.00 C ATOM 0 H ILE A 35 5.768 -8.182 -0.778 1.00 0.00 H new ATOM 0 HA ILE A 35 6.750 -8.722 -3.545 1.00 0.00 H new ATOM 0 HB ILE A 35 6.007 -6.272 -4.020 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.610 -6.371 -2.488 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.895 -6.729 -1.351 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.772 -7.054 -4.766 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.024 -8.272 -5.109 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.928 -8.489 -3.724 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.529 -4.280 -1.518 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.150 -4.710 -2.114 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.845 -4.347 -3.269 1.00 0.00 H new ATOM 528 N LYS A 36 8.567 -6.884 -3.165 1.00 0.00 N ATOM 529 CA LYS A 36 9.768 -6.129 -2.723 1.00 0.00 C ATOM 530 C LYS A 36 9.420 -4.643 -2.660 1.00 0.00 C ATOM 531 O LYS A 36 8.269 -4.273 -2.535 1.00 0.00 O ATOM 532 CB LYS A 36 10.909 -6.348 -3.720 1.00 0.00 C ATOM 533 CG LYS A 36 12.180 -6.740 -2.963 1.00 0.00 C ATOM 534 CD LYS A 36 12.553 -8.186 -3.300 1.00 0.00 C ATOM 535 CE LYS A 36 13.043 -8.264 -4.748 1.00 0.00 C ATOM 536 NZ LYS A 36 14.146 -9.263 -4.847 1.00 0.00 N ATOM 0 H LYS A 36 8.526 -7.095 -4.162 1.00 0.00 H new ATOM 0 HA LYS A 36 10.083 -6.478 -1.740 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.640 -7.130 -4.430 1.00 0.00 H new ATOM 0 HB3 LYS A 36 11.082 -5.439 -4.296 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.997 -6.071 -3.233 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.023 -6.635 -1.889 1.00 0.00 H new ATOM 0 HD2 LYS A 36 13.330 -8.539 -2.623 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.690 -8.837 -3.162 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.222 -8.547 -5.406 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.393 -7.286 -5.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.479 -9.316 -5.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 14.932 -8.974 -4.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 13.797 -10.196 -4.549 1.00 0.00 H new ATOM 550 N ARG A 37 10.395 -3.785 -2.749 1.00 0.00 N ATOM 551 CA ARG A 37 10.099 -2.329 -2.696 1.00 0.00 C ATOM 552 C ARG A 37 9.631 -1.854 -4.072 1.00 0.00 C ATOM 553 O ARG A 37 9.149 -0.751 -4.229 1.00 0.00 O ATOM 554 CB ARG A 37 11.358 -1.561 -2.284 1.00 0.00 C ATOM 555 CG ARG A 37 12.469 -1.805 -3.307 1.00 0.00 C ATOM 556 CD ARG A 37 13.792 -1.269 -2.760 1.00 0.00 C ATOM 557 NE ARG A 37 13.864 0.201 -2.987 1.00 0.00 N ATOM 558 CZ ARG A 37 14.469 0.968 -2.123 1.00 0.00 C ATOM 559 NH1 ARG A 37 14.333 0.745 -0.844 1.00 0.00 N ATOM 560 NH2 ARG A 37 15.211 1.957 -2.538 1.00 0.00 N ATOM 0 H ARG A 37 11.380 -4.027 -2.856 1.00 0.00 H new ATOM 0 HA ARG A 37 9.313 -2.145 -1.964 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.140 -0.495 -2.217 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.684 -1.882 -1.295 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.556 -2.871 -3.518 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.226 -1.312 -4.248 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.873 -1.488 -1.695 1.00 0.00 H new ATOM 0 HD3 ARG A 37 14.629 -1.765 -3.252 1.00 0.00 H new ATOM 0 HE ARG A 37 13.439 0.609 -3.820 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.753 -0.029 -0.520 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.806 1.345 -0.169 1.00 0.00 H new ATOM 0 HH21 ARG A 37 15.318 2.130 -3.538 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.685 2.557 -1.863 1.00 0.00 H new ATOM 574 N ASP A 38 9.767 -2.683 -5.069 1.00 0.00 N ATOM 575 CA ASP A 38 9.331 -2.291 -6.441 1.00 0.00 C ATOM 576 C ASP A 38 7.836 -1.963 -6.437 1.00 0.00 C ATOM 577 O ASP A 38 7.391 -1.039 -7.090 1.00 0.00 O ATOM 578 CB ASP A 38 9.592 -3.445 -7.410 1.00 0.00 C ATOM 579 CG ASP A 38 9.253 -3.002 -8.833 1.00 0.00 C ATOM 580 OD1 ASP A 38 9.990 -2.194 -9.373 1.00 0.00 O ATOM 581 OD2 ASP A 38 8.262 -3.480 -9.362 1.00 0.00 O ATOM 0 H ASP A 38 10.163 -3.620 -4.993 1.00 0.00 H new ATOM 0 HA ASP A 38 9.893 -1.412 -6.757 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.636 -3.753 -7.353 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.989 -4.310 -7.133 1.00 0.00 H new ATOM 586 N LYS A 39 7.056 -2.712 -5.709 1.00 0.00 N ATOM 587 CA LYS A 39 5.591 -2.448 -5.668 1.00 0.00 C ATOM 588 C LYS A 39 5.309 -1.306 -4.702 1.00 0.00 C ATOM 589 O LYS A 39 4.619 -0.359 -5.023 1.00 0.00 O ATOM 590 CB LYS A 39 4.880 -3.690 -5.166 1.00 0.00 C ATOM 591 CG LYS A 39 4.150 -4.373 -6.324 1.00 0.00 C ATOM 592 CD LYS A 39 5.156 -4.749 -7.412 1.00 0.00 C ATOM 593 CE LYS A 39 4.554 -4.455 -8.789 1.00 0.00 C ATOM 594 NZ LYS A 39 3.723 -5.613 -9.224 1.00 0.00 N ATOM 0 H LYS A 39 7.371 -3.497 -5.139 1.00 0.00 H new ATOM 0 HA LYS A 39 5.240 -2.186 -6.666 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.600 -4.378 -4.722 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.170 -3.422 -4.384 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.634 -5.265 -5.967 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.390 -3.707 -6.732 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.079 -4.185 -7.279 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.414 -5.805 -7.334 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.945 -3.552 -8.746 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.348 -4.270 -9.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.314 -5.415 -10.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.317 -6.465 -9.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.958 -5.769 -8.537 1.00 0.00 H new ATOM 608 N VAL A 40 5.856 -1.378 -3.522 1.00 0.00 N ATOM 609 CA VAL A 40 5.635 -0.284 -2.548 1.00 0.00 C ATOM 610 C VAL A 40 6.304 0.960 -3.115 1.00 0.00 C ATOM 611 O VAL A 40 6.051 2.071 -2.693 1.00 0.00 O ATOM 612 CB VAL A 40 6.273 -0.649 -1.207 1.00 0.00 C ATOM 613 CG1 VAL A 40 5.815 0.342 -0.134 1.00 0.00 C ATOM 614 CG2 VAL A 40 5.848 -2.063 -0.808 1.00 0.00 C ATOM 0 H VAL A 40 6.443 -2.145 -3.194 1.00 0.00 H new ATOM 0 HA VAL A 40 4.570 -0.115 -2.386 1.00 0.00 H new ATOM 0 HB VAL A 40 7.358 -0.607 -1.300 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.271 0.080 0.821 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.118 1.350 -0.417 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.730 0.302 -0.041 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.303 -2.323 0.148 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.763 -2.105 -0.717 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.175 -2.770 -1.570 1.00 0.00 H new ATOM 624 N ARG A 41 7.144 0.772 -4.098 1.00 0.00 N ATOM 625 CA ARG A 41 7.822 1.935 -4.730 1.00 0.00 C ATOM 626 C ARG A 41 6.799 2.679 -5.584 1.00 0.00 C ATOM 627 O ARG A 41 6.451 3.812 -5.318 1.00 0.00 O ATOM 628 CB ARG A 41 8.960 1.445 -5.626 1.00 0.00 C ATOM 629 CG ARG A 41 10.287 1.546 -4.871 1.00 0.00 C ATOM 630 CD ARG A 41 11.393 0.892 -5.701 1.00 0.00 C ATOM 631 NE ARG A 41 12.119 1.939 -6.472 1.00 0.00 N ATOM 632 CZ ARG A 41 13.189 1.625 -7.150 1.00 0.00 C ATOM 633 NH1 ARG A 41 13.330 0.418 -7.626 1.00 0.00 N ATOM 634 NH2 ARG A 41 14.117 2.520 -7.354 1.00 0.00 N ATOM 0 H ARG A 41 7.388 -0.138 -4.489 1.00 0.00 H new ATOM 0 HA ARG A 41 8.230 2.591 -3.961 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.780 0.414 -5.929 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.002 2.042 -6.537 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.530 2.591 -4.679 1.00 0.00 H new ATOM 0 HG3 ARG A 41 10.205 1.054 -3.902 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.085 0.360 -5.049 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.965 0.155 -6.381 1.00 0.00 H new ATOM 0 HE ARG A 41 11.780 2.901 -6.470 1.00 0.00 H new ATOM 0 HH11 ARG A 41 12.604 -0.281 -7.468 1.00 0.00 H new ATOM 0 HH12 ARG A 41 14.167 0.173 -8.156 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.006 3.464 -6.984 1.00 0.00 H new ATOM 0 HH22 ARG A 41 14.954 2.276 -7.884 1.00 0.00 H new ATOM 648 N GLU A 42 6.308 2.032 -6.604 1.00 0.00 N ATOM 649 CA GLU A 42 5.293 2.674 -7.481 1.00 0.00 C ATOM 650 C GLU A 42 4.052 2.978 -6.649 1.00 0.00 C ATOM 651 O GLU A 42 3.410 3.998 -6.809 1.00 0.00 O ATOM 652 CB GLU A 42 4.932 1.718 -8.620 1.00 0.00 C ATOM 653 CG GLU A 42 5.973 1.842 -9.737 1.00 0.00 C ATOM 654 CD GLU A 42 5.355 2.573 -10.929 1.00 0.00 C ATOM 655 OE1 GLU A 42 4.340 3.221 -10.739 1.00 0.00 O ATOM 656 OE2 GLU A 42 5.909 2.473 -12.011 1.00 0.00 O ATOM 0 H GLU A 42 6.568 1.082 -6.868 1.00 0.00 H new ATOM 0 HA GLU A 42 5.689 3.598 -7.903 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.898 0.693 -8.252 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.939 1.952 -9.005 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.846 2.385 -9.376 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.316 0.853 -10.041 1.00 0.00 H new ATOM 663 N ILE A 43 3.718 2.091 -5.754 1.00 0.00 N ATOM 664 CA ILE A 43 2.527 2.298 -4.889 1.00 0.00 C ATOM 665 C ILE A 43 2.647 3.652 -4.184 1.00 0.00 C ATOM 666 O ILE A 43 1.772 4.490 -4.280 1.00 0.00 O ATOM 667 CB ILE A 43 2.472 1.160 -3.862 1.00 0.00 C ATOM 668 CG1 ILE A 43 1.774 -0.049 -4.489 1.00 0.00 C ATOM 669 CG2 ILE A 43 1.696 1.598 -2.614 1.00 0.00 C ATOM 670 CD1 ILE A 43 2.147 -1.314 -3.715 1.00 0.00 C ATOM 0 H ILE A 43 4.226 1.223 -5.584 1.00 0.00 H new ATOM 0 HA ILE A 43 1.613 2.295 -5.483 1.00 0.00 H new ATOM 0 HB ILE A 43 3.489 0.899 -3.570 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.693 0.094 -4.474 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.067 -0.150 -5.534 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.667 0.778 -1.897 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.190 2.458 -2.162 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.679 1.870 -2.895 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.649 -2.174 -4.162 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.227 -1.459 -3.753 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.831 -1.212 -2.677 1.00 0.00 H new ATOM 682 N ALA A 44 3.721 3.874 -3.477 1.00 0.00 N ATOM 683 CA ALA A 44 3.883 5.176 -2.775 1.00 0.00 C ATOM 684 C ALA A 44 3.899 6.300 -3.809 1.00 0.00 C ATOM 685 O ALA A 44 3.349 7.363 -3.598 1.00 0.00 O ATOM 686 CB ALA A 44 5.200 5.177 -1.997 1.00 0.00 C ATOM 0 H ALA A 44 4.489 3.213 -3.356 1.00 0.00 H new ATOM 0 HA ALA A 44 3.056 5.326 -2.081 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.318 6.131 -1.483 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.191 4.369 -1.265 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.031 5.032 -2.688 1.00 0.00 H new ATOM 692 N GLU A 45 4.524 6.072 -4.932 1.00 0.00 N ATOM 693 CA GLU A 45 4.574 7.121 -5.986 1.00 0.00 C ATOM 694 C GLU A 45 3.154 7.473 -6.423 1.00 0.00 C ATOM 695 O GLU A 45 2.830 8.619 -6.662 1.00 0.00 O ATOM 696 CB GLU A 45 5.366 6.602 -7.187 1.00 0.00 C ATOM 697 CG GLU A 45 6.600 7.481 -7.403 1.00 0.00 C ATOM 698 CD GLU A 45 6.745 7.802 -8.891 1.00 0.00 C ATOM 699 OE1 GLU A 45 5.785 8.287 -9.467 1.00 0.00 O ATOM 700 OE2 GLU A 45 7.812 7.557 -9.428 1.00 0.00 O ATOM 0 H GLU A 45 5.003 5.202 -5.164 1.00 0.00 H new ATOM 0 HA GLU A 45 5.062 8.011 -5.589 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.668 5.568 -7.018 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.740 6.609 -8.079 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.508 8.403 -6.829 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.492 6.969 -7.042 1.00 0.00 H new ATOM 707 N LEU A 46 2.306 6.492 -6.522 1.00 0.00 N ATOM 708 CA LEU A 46 0.901 6.763 -6.937 1.00 0.00 C ATOM 709 C LEU A 46 0.219 7.611 -5.864 1.00 0.00 C ATOM 710 O LEU A 46 -0.102 8.761 -6.081 1.00 0.00 O ATOM 711 CB LEU A 46 0.148 5.440 -7.096 1.00 0.00 C ATOM 712 CG LEU A 46 -0.824 5.549 -8.273 1.00 0.00 C ATOM 713 CD1 LEU A 46 -0.652 4.339 -9.193 1.00 0.00 C ATOM 714 CD2 LEU A 46 -2.261 5.588 -7.747 1.00 0.00 C ATOM 0 H LEU A 46 2.523 5.513 -6.334 1.00 0.00 H new ATOM 0 HA LEU A 46 0.896 7.296 -7.888 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.852 4.626 -7.266 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.396 5.206 -6.181 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.615 6.462 -8.831 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.345 4.418 -10.031 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.371 4.310 -9.569 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.859 3.426 -8.635 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.953 5.666 -8.585 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.469 4.676 -7.188 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.386 6.451 -7.092 1.00 0.00 H new ATOM 726 N LYS A 47 0.002 7.051 -4.705 1.00 0.00 N ATOM 727 CA LYS A 47 -0.650 7.817 -3.604 1.00 0.00 C ATOM 728 C LYS A 47 0.381 8.726 -2.909 1.00 0.00 C ATOM 729 O LYS A 47 0.179 9.159 -1.794 1.00 0.00 O ATOM 730 CB LYS A 47 -1.238 6.831 -2.590 1.00 0.00 C ATOM 731 CG LYS A 47 -2.019 7.589 -1.512 1.00 0.00 C ATOM 732 CD LYS A 47 -2.807 6.597 -0.657 1.00 0.00 C ATOM 733 CE LYS A 47 -3.903 7.338 0.112 1.00 0.00 C ATOM 734 NZ LYS A 47 -3.299 8.452 0.898 1.00 0.00 N ATOM 0 H LYS A 47 0.250 6.089 -4.472 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.444 8.440 -4.016 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.895 6.124 -3.097 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.439 6.250 -2.130 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.333 8.160 -0.886 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.698 8.304 -1.976 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.250 5.828 -1.290 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.139 6.091 0.040 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.646 7.731 -0.582 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.422 6.649 0.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.053 9.074 1.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.765 8.061 1.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.658 8.999 0.289 1.00 0.00 H new ATOM 748 N MET A 48 1.485 9.019 -3.545 1.00 0.00 N ATOM 749 CA MET A 48 2.507 9.889 -2.893 1.00 0.00 C ATOM 750 C MET A 48 1.950 11.305 -2.716 1.00 0.00 C ATOM 751 O MET A 48 1.972 11.840 -1.626 1.00 0.00 O ATOM 752 CB MET A 48 3.762 9.938 -3.767 1.00 0.00 C ATOM 753 CG MET A 48 4.988 9.592 -2.924 1.00 0.00 C ATOM 754 SD MET A 48 5.872 11.112 -2.490 1.00 0.00 S ATOM 755 CE MET A 48 5.082 11.380 -0.883 1.00 0.00 C ATOM 0 H MET A 48 1.722 8.695 -4.483 1.00 0.00 H new ATOM 0 HA MET A 48 2.757 9.480 -1.914 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.668 9.236 -4.595 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.876 10.931 -4.202 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.684 9.065 -2.020 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.646 8.922 -3.478 1.00 0.00 H new ATOM 0 HE1 MET A 48 4.568 12.341 -0.886 1.00 0.00 H new ATOM 0 HE2 MET A 48 4.362 10.584 -0.694 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.840 11.377 -0.100 1.00 0.00 H new ATOM 765 N PRO A 49 1.456 11.869 -3.790 1.00 0.00 N ATOM 766 CA PRO A 49 0.873 13.219 -3.769 1.00 0.00 C ATOM 767 C PRO A 49 -0.522 13.167 -3.144 1.00 0.00 C ATOM 768 O PRO A 49 -1.496 13.607 -3.721 1.00 0.00 O ATOM 769 CB PRO A 49 0.813 13.610 -5.248 1.00 0.00 C ATOM 770 CG PRO A 49 0.832 12.287 -6.048 1.00 0.00 C ATOM 771 CD PRO A 49 1.426 11.216 -5.113 1.00 0.00 C ATOM 0 HA PRO A 49 1.444 13.936 -3.180 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.090 14.181 -5.463 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.660 14.240 -5.518 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.174 12.011 -6.364 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.433 12.389 -6.952 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.813 10.315 -5.099 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.424 10.917 -5.433 1.00 0.00 H new ATOM 779 N ASP A 50 -0.616 12.618 -1.965 1.00 0.00 N ATOM 780 CA ASP A 50 -1.932 12.512 -1.278 1.00 0.00 C ATOM 781 C ASP A 50 -1.726 11.825 0.074 1.00 0.00 C ATOM 782 O ASP A 50 -2.398 12.118 1.042 1.00 0.00 O ATOM 783 CB ASP A 50 -2.888 11.679 -2.135 1.00 0.00 C ATOM 784 CG ASP A 50 -4.261 12.351 -2.170 1.00 0.00 C ATOM 785 OD1 ASP A 50 -4.334 13.483 -2.619 1.00 0.00 O ATOM 786 OD2 ASP A 50 -5.216 11.720 -1.748 1.00 0.00 O ATOM 0 H ASP A 50 0.172 12.234 -1.443 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.356 13.505 -1.129 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.494 11.580 -3.147 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -2.975 10.672 -1.727 1.00 0.00 H new ATOM 791 N LEU A 51 -0.792 10.915 0.141 1.00 0.00 N ATOM 792 CA LEU A 51 -0.522 10.203 1.423 1.00 0.00 C ATOM 793 C LEU A 51 -0.022 11.204 2.465 1.00 0.00 C ATOM 794 O LEU A 51 0.418 12.288 2.138 1.00 0.00 O ATOM 795 CB LEU A 51 0.549 9.135 1.194 1.00 0.00 C ATOM 796 CG LEU A 51 -0.031 7.752 1.500 1.00 0.00 C ATOM 797 CD1 LEU A 51 0.665 6.704 0.632 1.00 0.00 C ATOM 798 CD2 LEU A 51 0.192 7.422 2.978 1.00 0.00 C ATOM 0 H LEU A 51 -0.201 10.633 -0.641 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.439 9.733 1.778 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.900 9.173 0.163 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.412 9.328 1.832 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.099 7.749 1.284 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.252 5.719 0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.506 6.940 -0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.734 6.705 0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.221 6.437 3.197 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.260 7.424 3.194 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.305 8.169 3.597 1.00 0.00 H new ATOM 810 N ASN A 52 -0.077 10.846 3.719 1.00 0.00 N ATOM 811 CA ASN A 52 0.405 11.776 4.778 1.00 0.00 C ATOM 812 C ASN A 52 1.878 11.490 5.071 1.00 0.00 C ATOM 813 O ASN A 52 2.350 11.678 6.174 1.00 0.00 O ATOM 814 CB ASN A 52 -0.417 11.565 6.051 1.00 0.00 C ATOM 815 CG ASN A 52 0.090 12.507 7.145 1.00 0.00 C ATOM 816 OD1 ASN A 52 0.592 12.064 8.159 1.00 0.00 O ATOM 817 ND2 ASN A 52 -0.019 13.796 6.981 1.00 0.00 N ATOM 0 H ASN A 52 -0.434 9.952 4.055 1.00 0.00 H new ATOM 0 HA ASN A 52 0.294 12.806 4.439 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -1.472 11.755 5.852 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -0.337 10.529 6.381 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.317 14.432 7.704 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -0.440 14.168 6.130 1.00 0.00 H new ATOM 824 N ALA A 53 2.607 11.033 4.089 1.00 0.00 N ATOM 825 CA ALA A 53 4.049 10.730 4.310 1.00 0.00 C ATOM 826 C ALA A 53 4.874 12.008 4.147 1.00 0.00 C ATOM 827 O ALA A 53 4.340 13.092 4.012 1.00 0.00 O ATOM 828 CB ALA A 53 4.515 9.692 3.287 1.00 0.00 C ATOM 0 H ALA A 53 2.266 10.857 3.144 1.00 0.00 H new ATOM 0 HA ALA A 53 4.184 10.337 5.318 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.570 9.470 3.448 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.930 8.779 3.403 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.377 10.086 2.280 1.00 0.00 H new ATOM 834 N ALA A 54 6.173 11.889 4.160 1.00 0.00 N ATOM 835 CA ALA A 54 7.036 13.095 4.008 1.00 0.00 C ATOM 836 C ALA A 54 8.035 12.881 2.864 1.00 0.00 C ATOM 837 O ALA A 54 8.589 13.821 2.333 1.00 0.00 O ATOM 838 CB ALA A 54 7.802 13.339 5.310 1.00 0.00 C ATOM 0 H ALA A 54 6.675 11.008 4.269 1.00 0.00 H new ATOM 0 HA ALA A 54 6.409 13.958 3.782 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.434 14.221 5.201 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.095 13.498 6.124 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.424 12.472 5.534 1.00 0.00 H new ATOM 844 N SER A 55 8.272 11.653 2.480 1.00 0.00 N ATOM 845 CA SER A 55 9.233 11.391 1.375 1.00 0.00 C ATOM 846 C SER A 55 9.079 9.947 0.897 1.00 0.00 C ATOM 847 O SER A 55 8.357 9.162 1.480 1.00 0.00 O ATOM 848 CB SER A 55 10.660 11.612 1.876 1.00 0.00 C ATOM 849 OG SER A 55 11.383 12.374 0.917 1.00 0.00 O ATOM 0 H SER A 55 7.840 10.823 2.886 1.00 0.00 H new ATOM 0 HA SER A 55 9.029 12.071 0.548 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.645 12.132 2.834 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.152 10.654 2.041 1.00 0.00 H new ATOM 0 HG SER A 55 12.298 12.519 1.237 1.00 0.00 H new ATOM 855 N ILE A 56 9.754 9.592 -0.159 1.00 0.00 N ATOM 856 CA ILE A 56 9.655 8.201 -0.684 1.00 0.00 C ATOM 857 C ILE A 56 9.842 7.204 0.462 1.00 0.00 C ATOM 858 O ILE A 56 8.897 6.612 0.944 1.00 0.00 O ATOM 859 CB ILE A 56 10.739 7.976 -1.738 1.00 0.00 C ATOM 860 CG1 ILE A 56 10.497 8.908 -2.926 1.00 0.00 C ATOM 861 CG2 ILE A 56 10.696 6.522 -2.214 1.00 0.00 C ATOM 862 CD1 ILE A 56 9.241 8.463 -3.679 1.00 0.00 C ATOM 0 H ILE A 56 10.374 10.208 -0.685 1.00 0.00 H new ATOM 0 HA ILE A 56 8.673 8.054 -1.134 1.00 0.00 H new ATOM 0 HB ILE A 56 11.716 8.187 -1.303 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.380 9.934 -2.578 1.00 0.00 H new ATOM 0 HG13 ILE A 56 11.358 8.894 -3.594 1.00 0.00 H new ATOM 0 HG21 ILE A 56 11.469 6.362 -2.966 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.869 5.857 -1.368 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.719 6.310 -2.648 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.069 9.128 -4.525 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.375 7.443 -4.040 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.382 8.500 -3.009 1.00 0.00 H new ATOM 874 N GLU A 57 11.057 7.012 0.900 1.00 0.00 N ATOM 875 CA GLU A 57 11.304 6.052 2.012 1.00 0.00 C ATOM 876 C GLU A 57 10.384 6.385 3.187 1.00 0.00 C ATOM 877 O GLU A 57 10.017 5.530 3.966 1.00 0.00 O ATOM 878 CB GLU A 57 12.763 6.155 2.460 1.00 0.00 C ATOM 879 CG GLU A 57 13.466 4.817 2.223 1.00 0.00 C ATOM 880 CD GLU A 57 14.661 4.695 3.169 1.00 0.00 C ATOM 881 OE1 GLU A 57 15.603 5.453 3.004 1.00 0.00 O ATOM 882 OE2 GLU A 57 14.616 3.843 4.042 1.00 0.00 O ATOM 0 H GLU A 57 11.888 7.478 0.536 1.00 0.00 H new ATOM 0 HA GLU A 57 11.101 5.038 1.668 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.269 6.947 1.907 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.812 6.422 3.516 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.771 3.994 2.390 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.800 4.748 1.188 1.00 0.00 H new ATOM 889 N ALA A 58 10.008 7.628 3.321 1.00 0.00 N ATOM 890 CA ALA A 58 9.113 8.021 4.444 1.00 0.00 C ATOM 891 C ALA A 58 7.728 7.401 4.239 1.00 0.00 C ATOM 892 O ALA A 58 7.207 6.721 5.102 1.00 0.00 O ATOM 893 CB ALA A 58 8.986 9.544 4.483 1.00 0.00 C ATOM 0 H ALA A 58 10.283 8.389 2.700 1.00 0.00 H new ATOM 0 HA ALA A 58 9.534 7.664 5.384 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.331 9.834 5.305 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.971 9.988 4.630 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.566 9.898 3.542 1.00 0.00 H new ATOM 899 N ALA A 59 7.125 7.631 3.104 1.00 0.00 N ATOM 900 CA ALA A 59 5.774 7.054 2.852 1.00 0.00 C ATOM 901 C ALA A 59 5.849 5.532 2.938 1.00 0.00 C ATOM 902 O ALA A 59 4.924 4.875 3.369 1.00 0.00 O ATOM 903 CB ALA A 59 5.291 7.467 1.459 1.00 0.00 C ATOM 0 H ALA A 59 7.508 8.192 2.343 1.00 0.00 H new ATOM 0 HA ALA A 59 5.074 7.426 3.600 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.303 7.044 1.276 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.237 8.554 1.400 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.989 7.097 0.708 1.00 0.00 H new ATOM 909 N MET A 60 6.952 4.974 2.535 1.00 0.00 N ATOM 910 CA MET A 60 7.115 3.497 2.589 1.00 0.00 C ATOM 911 C MET A 60 6.971 3.028 4.038 1.00 0.00 C ATOM 912 O MET A 60 6.307 2.051 4.321 1.00 0.00 O ATOM 913 CB MET A 60 8.503 3.119 2.068 1.00 0.00 C ATOM 914 CG MET A 60 8.715 1.613 2.231 1.00 0.00 C ATOM 915 SD MET A 60 10.271 1.136 1.439 1.00 0.00 S ATOM 916 CE MET A 60 9.660 1.120 -0.264 1.00 0.00 C ATOM 0 H MET A 60 7.756 5.482 2.167 1.00 0.00 H new ATOM 0 HA MET A 60 6.353 3.021 1.971 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.598 3.399 1.019 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.270 3.667 2.615 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.737 1.350 3.289 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.884 1.067 1.784 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.619 0.093 -0.626 1.00 0.00 H new ATOM 0 HE2 MET A 60 8.662 1.557 -0.297 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.331 1.701 -0.897 1.00 0.00 H new ATOM 926 N ARG A 61 7.583 3.722 4.959 1.00 0.00 N ATOM 927 CA ARG A 61 7.471 3.316 6.389 1.00 0.00 C ATOM 928 C ARG A 61 5.998 3.349 6.794 1.00 0.00 C ATOM 929 O ARG A 61 5.449 2.371 7.264 1.00 0.00 O ATOM 930 CB ARG A 61 8.266 4.287 7.263 1.00 0.00 C ATOM 931 CG ARG A 61 9.764 4.020 7.096 1.00 0.00 C ATOM 932 CD ARG A 61 10.559 5.192 7.676 1.00 0.00 C ATOM 933 NE ARG A 61 11.754 4.673 8.401 1.00 0.00 N ATOM 934 CZ ARG A 61 11.914 4.940 9.669 1.00 0.00 C ATOM 935 NH1 ARG A 61 11.794 6.167 10.097 1.00 0.00 N ATOM 936 NH2 ARG A 61 12.195 3.981 10.508 1.00 0.00 N ATOM 0 H ARG A 61 8.153 4.549 4.784 1.00 0.00 H new ATOM 0 HA ARG A 61 7.870 2.311 6.522 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.036 5.315 6.983 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.980 4.169 8.308 1.00 0.00 H new ATOM 0 HG2 ARG A 61 10.038 3.095 7.603 1.00 0.00 H new ATOM 0 HG3 ARG A 61 10.006 3.889 6.041 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.869 5.865 6.877 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.932 5.770 8.354 1.00 0.00 H new ATOM 0 HE ARG A 61 12.446 4.110 7.907 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.575 6.917 9.441 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.919 6.376 11.087 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.290 3.022 10.173 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.320 4.190 11.498 1.00 0.00 H new ATOM 950 N MET A 62 5.350 4.465 6.605 1.00 0.00 N ATOM 951 CA MET A 62 3.908 4.558 6.966 1.00 0.00 C ATOM 952 C MET A 62 3.099 3.695 5.999 1.00 0.00 C ATOM 953 O MET A 62 1.962 3.348 6.254 1.00 0.00 O ATOM 954 CB MET A 62 3.447 6.013 6.856 1.00 0.00 C ATOM 955 CG MET A 62 2.291 6.257 7.827 1.00 0.00 C ATOM 956 SD MET A 62 2.498 7.874 8.614 1.00 0.00 S ATOM 957 CE MET A 62 2.355 8.875 7.113 1.00 0.00 C ATOM 0 H MET A 62 5.757 5.316 6.216 1.00 0.00 H new ATOM 0 HA MET A 62 3.760 4.209 7.988 1.00 0.00 H new ATOM 0 HB2 MET A 62 4.274 6.686 7.082 1.00 0.00 H new ATOM 0 HB3 MET A 62 3.131 6.229 5.836 1.00 0.00 H new ATOM 0 HG2 MET A 62 1.340 6.218 7.295 1.00 0.00 H new ATOM 0 HG3 MET A 62 2.265 5.473 8.583 1.00 0.00 H new ATOM 0 HE1 MET A 62 3.290 9.408 6.941 1.00 0.00 H new ATOM 0 HE2 MET A 62 2.144 8.227 6.262 1.00 0.00 H new ATOM 0 HE3 MET A 62 1.544 9.594 7.231 1.00 0.00 H new ATOM 967 N ILE A 63 3.684 3.345 4.886 1.00 0.00 N ATOM 968 CA ILE A 63 2.965 2.503 3.889 1.00 0.00 C ATOM 969 C ILE A 63 3.122 1.027 4.268 1.00 0.00 C ATOM 970 O ILE A 63 2.202 0.242 4.145 1.00 0.00 O ATOM 971 CB ILE A 63 3.561 2.770 2.495 1.00 0.00 C ATOM 972 CG1 ILE A 63 2.880 3.997 1.886 1.00 0.00 C ATOM 973 CG2 ILE A 63 3.337 1.566 1.574 1.00 0.00 C ATOM 974 CD1 ILE A 63 1.412 3.676 1.598 1.00 0.00 C ATOM 0 H ILE A 63 4.634 3.608 4.624 1.00 0.00 H new ATOM 0 HA ILE A 63 1.903 2.749 3.877 1.00 0.00 H new ATOM 0 HB ILE A 63 4.632 2.942 2.597 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.951 4.842 2.570 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.387 4.288 0.966 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.765 1.773 0.593 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.818 0.686 2.001 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.268 1.380 1.471 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.927 4.550 1.164 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.352 2.843 0.898 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.910 3.406 2.527 1.00 0.00 H new ATOM 986 N GLU A 64 4.280 0.644 4.729 1.00 0.00 N ATOM 987 CA GLU A 64 4.497 -0.779 5.117 1.00 0.00 C ATOM 988 C GLU A 64 3.584 -1.141 6.290 1.00 0.00 C ATOM 989 O GLU A 64 2.696 -1.962 6.166 1.00 0.00 O ATOM 990 CB GLU A 64 5.957 -0.975 5.531 1.00 0.00 C ATOM 991 CG GLU A 64 6.571 -2.114 4.715 1.00 0.00 C ATOM 992 CD GLU A 64 7.307 -3.076 5.650 1.00 0.00 C ATOM 993 OE1 GLU A 64 7.345 -2.803 6.839 1.00 0.00 O ATOM 994 OE2 GLU A 64 7.821 -4.069 5.162 1.00 0.00 O ATOM 0 H GLU A 64 5.087 1.255 4.854 1.00 0.00 H new ATOM 0 HA GLU A 64 4.266 -1.423 4.269 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.518 -0.055 5.370 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.017 -1.203 6.595 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.791 -2.646 4.170 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.261 -1.712 3.973 1.00 0.00 H new ATOM 1001 N GLY A 65 3.798 -0.539 7.429 1.00 0.00 N ATOM 1002 CA GLY A 65 2.948 -0.850 8.614 1.00 0.00 C ATOM 1003 C GLY A 65 1.483 -0.942 8.188 1.00 0.00 C ATOM 1004 O GLY A 65 0.716 -1.711 8.732 1.00 0.00 O ATOM 0 H GLY A 65 4.527 0.156 7.590 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.265 -1.790 9.064 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.068 -0.077 9.373 1.00 0.00 H new ATOM 1008 N THR A 66 1.085 -0.163 7.221 1.00 0.00 N ATOM 1009 CA THR A 66 -0.333 -0.210 6.766 1.00 0.00 C ATOM 1010 C THR A 66 -0.601 -1.547 6.071 1.00 0.00 C ATOM 1011 O THR A 66 -1.568 -2.223 6.356 1.00 0.00 O ATOM 1012 CB THR A 66 -0.594 0.935 5.785 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.442 2.178 6.460 1.00 0.00 O ATOM 1014 CG2 THR A 66 -2.015 0.817 5.228 1.00 0.00 C ATOM 0 H THR A 66 1.679 0.503 6.727 1.00 0.00 H new ATOM 0 HA THR A 66 -0.994 -0.108 7.627 1.00 0.00 H new ATOM 0 HB THR A 66 0.119 0.882 4.962 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.420 2.577 6.220 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.201 1.633 4.529 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.125 -0.136 4.711 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.732 0.870 6.047 1.00 0.00 H new ATOM 1022 N ALA A 67 0.247 -1.930 5.157 1.00 0.00 N ATOM 1023 CA ALA A 67 0.043 -3.219 4.441 1.00 0.00 C ATOM 1024 C ALA A 67 -0.048 -4.367 5.449 1.00 0.00 C ATOM 1025 O ALA A 67 -0.781 -5.317 5.258 1.00 0.00 O ATOM 1026 CB ALA A 67 1.220 -3.468 3.498 1.00 0.00 C ATOM 0 H ALA A 67 1.074 -1.404 4.875 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.884 -3.168 3.869 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.072 -4.412 2.973 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.284 -2.656 2.774 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.144 -3.514 4.074 1.00 0.00 H new ATOM 1032 N ARG A 68 0.695 -4.291 6.519 1.00 0.00 N ATOM 1033 CA ARG A 68 0.658 -5.384 7.533 1.00 0.00 C ATOM 1034 C ARG A 68 -0.771 -5.563 8.051 1.00 0.00 C ATOM 1035 O ARG A 68 -1.128 -6.605 8.561 1.00 0.00 O ATOM 1036 CB ARG A 68 1.584 -5.030 8.697 1.00 0.00 C ATOM 1037 CG ARG A 68 1.345 -5.998 9.858 1.00 0.00 C ATOM 1038 CD ARG A 68 2.684 -6.362 10.503 1.00 0.00 C ATOM 1039 NE ARG A 68 2.441 -7.002 11.827 1.00 0.00 N ATOM 1040 CZ ARG A 68 1.749 -6.374 12.737 1.00 0.00 C ATOM 1041 NH1 ARG A 68 0.445 -6.412 12.707 1.00 0.00 N ATOM 1042 NH2 ARG A 68 2.361 -5.708 13.678 1.00 0.00 N ATOM 0 H ARG A 68 1.326 -3.520 6.735 1.00 0.00 H new ATOM 0 HA ARG A 68 0.991 -6.314 7.072 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.624 -5.082 8.376 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.401 -4.006 9.021 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.686 -5.541 10.596 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.846 -6.898 9.498 1.00 0.00 H new ATOM 0 HD2 ARG A 68 3.239 -7.041 9.855 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.295 -5.468 10.626 1.00 0.00 H new ATOM 0 HE ARG A 68 2.816 -7.931 12.021 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -0.033 -6.933 11.972 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -0.096 -5.921 13.419 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.380 -5.679 13.702 1.00 0.00 H new ATOM 0 HH22 ARG A 68 1.820 -5.217 14.390 1.00 0.00 H new ATOM 1056 N SER A 69 -1.593 -4.557 7.924 1.00 0.00 N ATOM 1057 CA SER A 69 -2.996 -4.682 8.410 1.00 0.00 C ATOM 1058 C SER A 69 -3.802 -5.525 7.419 1.00 0.00 C ATOM 1059 O SER A 69 -4.928 -5.900 7.679 1.00 0.00 O ATOM 1060 CB SER A 69 -3.622 -3.292 8.524 1.00 0.00 C ATOM 1061 OG SER A 69 -4.679 -3.329 9.474 1.00 0.00 O ATOM 0 H SER A 69 -1.355 -3.657 7.506 1.00 0.00 H new ATOM 0 HA SER A 69 -3.002 -5.163 9.388 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.869 -2.565 8.829 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.001 -2.970 7.554 1.00 0.00 H new ATOM 0 HG SER A 69 -5.081 -2.439 9.550 1.00 0.00 H new ATOM 1067 N MET A 70 -3.233 -5.824 6.281 1.00 0.00 N ATOM 1068 CA MET A 70 -3.964 -6.641 5.271 1.00 0.00 C ATOM 1069 C MET A 70 -3.161 -7.897 4.950 1.00 0.00 C ATOM 1070 O MET A 70 -3.676 -8.997 4.955 1.00 0.00 O ATOM 1071 CB MET A 70 -4.138 -5.836 3.987 1.00 0.00 C ATOM 1072 CG MET A 70 -5.043 -4.632 4.254 1.00 0.00 C ATOM 1073 SD MET A 70 -6.760 -5.187 4.397 1.00 0.00 S ATOM 1074 CE MET A 70 -7.484 -3.971 3.271 1.00 0.00 C ATOM 0 H MET A 70 -2.293 -5.537 6.008 1.00 0.00 H new ATOM 0 HA MET A 70 -4.939 -6.913 5.676 1.00 0.00 H new ATOM 0 HB2 MET A 70 -3.167 -5.500 3.622 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.571 -6.464 3.208 1.00 0.00 H new ATOM 0 HG2 MET A 70 -4.735 -4.128 5.170 1.00 0.00 H new ATOM 0 HG3 MET A 70 -4.950 -3.907 3.445 1.00 0.00 H new ATOM 0 HE1 MET A 70 -8.354 -4.405 2.778 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.788 -3.089 3.835 1.00 0.00 H new ATOM 0 HE3 MET A 70 -6.747 -3.685 2.521 1.00 0.00 H new ATOM 1084 N GLY A 71 -1.898 -7.740 4.665 1.00 0.00 N ATOM 1085 CA GLY A 71 -1.060 -8.926 4.338 1.00 0.00 C ATOM 1086 C GLY A 71 -0.097 -8.613 3.183 1.00 0.00 C ATOM 1087 O GLY A 71 0.493 -9.506 2.605 1.00 0.00 O ATOM 0 H GLY A 71 -1.411 -6.844 4.645 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.493 -9.230 5.218 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.700 -9.765 4.066 1.00 0.00 H new ATOM 1091 N ILE A 72 0.076 -7.364 2.838 1.00 0.00 N ATOM 1092 CA ILE A 72 1.009 -7.023 1.727 1.00 0.00 C ATOM 1093 C ILE A 72 2.419 -6.840 2.298 1.00 0.00 C ATOM 1094 O ILE A 72 2.858 -5.736 2.552 1.00 0.00 O ATOM 1095 CB ILE A 72 0.552 -5.725 1.055 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.831 -5.933 0.434 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.547 -5.335 -0.041 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.888 -5.235 1.294 1.00 0.00 C ATOM 0 H ILE A 72 -0.387 -6.568 3.277 1.00 0.00 H new ATOM 0 HA ILE A 72 1.014 -7.825 0.989 1.00 0.00 H new ATOM 0 HB ILE A 72 0.503 -4.930 1.800 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.850 -5.533 -0.580 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.052 -6.998 0.361 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.220 -4.411 -0.518 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.533 -5.187 0.399 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.598 -6.129 -0.786 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.873 -5.383 0.851 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.875 -5.656 2.299 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.670 -4.168 1.344 1.00 0.00 H new ATOM 1110 N VAL A 73 3.128 -7.914 2.511 1.00 0.00 N ATOM 1111 CA VAL A 73 4.500 -7.803 3.077 1.00 0.00 C ATOM 1112 C VAL A 73 5.410 -7.051 2.106 1.00 0.00 C ATOM 1113 O VAL A 73 5.081 -6.849 0.953 1.00 0.00 O ATOM 1114 CB VAL A 73 5.056 -9.204 3.324 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.499 -9.106 3.820 1.00 0.00 C ATOM 1116 CG2 VAL A 73 4.200 -9.905 4.381 1.00 0.00 C ATOM 0 H VAL A 73 2.815 -8.865 2.317 1.00 0.00 H new ATOM 0 HA VAL A 73 4.459 -7.253 4.017 1.00 0.00 H new ATOM 0 HB VAL A 73 5.034 -9.774 2.395 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.892 -10.107 3.995 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.108 -8.603 3.069 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.526 -8.538 4.750 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.592 -10.906 4.562 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.226 -9.332 5.308 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.172 -9.977 4.027 1.00 0.00 H new ATOM 1126 N VAL A 74 6.556 -6.637 2.571 1.00 0.00 N ATOM 1127 CA VAL A 74 7.502 -5.896 1.692 1.00 0.00 C ATOM 1128 C VAL A 74 8.928 -6.385 1.960 1.00 0.00 C ATOM 1129 O VAL A 74 9.323 -6.583 3.092 1.00 0.00 O ATOM 1130 CB VAL A 74 7.408 -4.399 1.994 1.00 0.00 C ATOM 1131 CG1 VAL A 74 8.370 -3.630 1.087 1.00 0.00 C ATOM 1132 CG2 VAL A 74 5.977 -3.919 1.743 1.00 0.00 C ATOM 0 H VAL A 74 6.879 -6.781 3.528 1.00 0.00 H new ATOM 0 HA VAL A 74 7.247 -6.071 0.647 1.00 0.00 H new ATOM 0 HB VAL A 74 7.675 -4.222 3.036 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.301 -2.564 1.304 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.390 -3.971 1.265 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.106 -3.806 0.044 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.908 -2.853 1.958 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.711 -4.097 0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.291 -4.465 2.391 1.00 0.00 H new ATOM 1142 N GLU A 75 9.700 -6.592 0.928 1.00 0.00 N ATOM 1143 CA GLU A 75 11.096 -7.078 1.125 1.00 0.00 C ATOM 1144 C GLU A 75 12.076 -5.930 0.913 1.00 0.00 C ATOM 1145 O GLU A 75 11.696 -4.820 0.597 1.00 0.00 O ATOM 1146 CB GLU A 75 11.395 -8.195 0.122 1.00 0.00 C ATOM 1147 CG GLU A 75 11.007 -9.546 0.727 1.00 0.00 C ATOM 1148 CD GLU A 75 11.926 -10.637 0.176 1.00 0.00 C ATOM 1149 OE1 GLU A 75 13.063 -10.703 0.614 1.00 0.00 O ATOM 1150 OE2 GLU A 75 11.478 -11.389 -0.673 1.00 0.00 O ATOM 0 H GLU A 75 9.425 -6.446 -0.043 1.00 0.00 H new ATOM 0 HA GLU A 75 11.203 -7.461 2.140 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.841 -8.026 -0.801 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.454 -8.192 -0.136 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.085 -9.505 1.813 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.968 -9.777 0.490 1.00 0.00 H new ATOM 1157 N ASP A 76 13.341 -6.189 1.087 1.00 0.00 N ATOM 1158 CA ASP A 76 14.349 -5.114 0.900 1.00 0.00 C ATOM 1159 C ASP A 76 15.737 -5.736 0.737 1.00 0.00 C ATOM 1160 O ASP A 76 15.806 -6.884 0.329 1.00 0.00 O ATOM 1161 CB ASP A 76 14.345 -4.191 2.120 1.00 0.00 C ATOM 1162 CG ASP A 76 14.800 -4.972 3.354 1.00 0.00 C ATOM 1163 OD1 ASP A 76 14.654 -6.184 3.350 1.00 0.00 O ATOM 1164 OD2 ASP A 76 15.287 -4.347 4.281 1.00 0.00 O ATOM 1165 OXT ASP A 76 16.708 -5.052 1.019 1.00 0.00 O ATOM 0 H ASP A 76 13.719 -7.099 1.351 1.00 0.00 H new ATOM 0 HA ASP A 76 14.102 -4.538 0.008 1.00 0.00 H new ATOM 0 HB2 ASP A 76 15.008 -3.343 1.949 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.345 -3.788 2.280 1.00 0.00 H new