USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 445 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 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 34 THR OG1 : rot 180:sc= 0.058 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -175:sc= 0.568 (180deg=0.554) USER MOD Single : A 47 LYS NZ :NH3+ -120:sc= -2.86! (180deg=-4.28!) USER MOD Single : A 48 MET CE :methyl 170:sc= -0.734 (180deg=-0.855) USER MOD Single : A 52 ASN : amide:sc= -0.547 K(o=-0.55,f=-1.2) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 174:sc= 0 (180deg=-0.0165) USER MOD Single : A 62 MET CE :methyl -157:sc= -0.299 (180deg=-0.38) USER MOD Single : A 66 THR OG1 : rot 93:sc= 1.09 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl -165:sc= -1.46 (180deg=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 123 N PRO A 8 -8.362 7.616 0.593 1.00 0.00 N ATOM 124 CA PRO A 8 -8.645 6.248 1.061 1.00 0.00 C ATOM 125 C PRO A 8 -7.490 5.736 1.928 1.00 0.00 C ATOM 126 O PRO A 8 -6.445 6.353 1.991 1.00 0.00 O ATOM 127 CB PRO A 8 -8.756 5.441 -0.235 1.00 0.00 C ATOM 128 CG PRO A 8 -7.985 6.240 -1.313 1.00 0.00 C ATOM 129 CD PRO A 8 -7.905 7.693 -0.810 1.00 0.00 C ATOM 0 HA PRO A 8 -9.542 6.179 1.676 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.330 4.445 -0.110 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.799 5.308 -0.522 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.988 5.826 -1.463 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.498 6.190 -2.273 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.889 8.082 -0.877 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.540 8.354 -1.400 1.00 0.00 H new ATOM 137 N PRO A 9 -7.714 4.621 2.572 1.00 0.00 N ATOM 138 CA PRO A 9 -6.708 3.996 3.446 1.00 0.00 C ATOM 139 C PRO A 9 -5.662 3.258 2.605 1.00 0.00 C ATOM 140 O PRO A 9 -5.938 2.805 1.512 1.00 0.00 O ATOM 141 CB PRO A 9 -7.525 3.015 4.290 1.00 0.00 C ATOM 142 CG PRO A 9 -8.816 2.719 3.489 1.00 0.00 C ATOM 143 CD PRO A 9 -8.989 3.877 2.487 1.00 0.00 C ATOM 0 HA PRO A 9 -6.158 4.714 4.054 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.963 2.099 4.473 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -7.762 3.444 5.264 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.738 1.765 2.968 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.677 2.650 4.154 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.168 3.507 1.477 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.837 4.509 2.750 1.00 0.00 H new ATOM 151 N ALA A 10 -4.463 3.135 3.106 1.00 0.00 N ATOM 152 CA ALA A 10 -3.405 2.429 2.332 1.00 0.00 C ATOM 153 C ALA A 10 -3.594 0.917 2.472 1.00 0.00 C ATOM 154 O ALA A 10 -2.975 0.137 1.777 1.00 0.00 O ATOM 155 CB ALA A 10 -2.029 2.825 2.870 1.00 0.00 C ATOM 0 H ALA A 10 -4.172 3.492 4.016 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.476 2.707 1.281 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.254 2.308 2.304 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.895 3.902 2.769 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.956 2.547 3.921 1.00 0.00 H new ATOM 161 N ALA A 11 -4.445 0.496 3.366 1.00 0.00 N ATOM 162 CA ALA A 11 -4.671 -0.965 3.549 1.00 0.00 C ATOM 163 C ALA A 11 -5.806 -1.427 2.631 1.00 0.00 C ATOM 164 O ALA A 11 -6.593 -2.281 2.988 1.00 0.00 O ATOM 165 CB ALA A 11 -5.047 -1.244 5.006 1.00 0.00 C ATOM 0 H ALA A 11 -4.994 1.100 3.978 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.759 -1.507 3.298 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.213 -2.313 5.141 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.238 -0.917 5.660 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.958 -0.701 5.257 1.00 0.00 H new ATOM 171 N VAL A 12 -5.905 -0.864 1.456 1.00 0.00 N ATOM 172 CA VAL A 12 -6.996 -1.272 0.530 1.00 0.00 C ATOM 173 C VAL A 12 -6.526 -1.127 -0.922 1.00 0.00 C ATOM 174 O VAL A 12 -6.849 -1.936 -1.770 1.00 0.00 O ATOM 175 CB VAL A 12 -8.214 -0.376 0.774 1.00 0.00 C ATOM 176 CG1 VAL A 12 -7.758 1.076 0.930 1.00 0.00 C ATOM 177 CG2 VAL A 12 -9.177 -0.478 -0.409 1.00 0.00 C ATOM 0 H VAL A 12 -5.279 -0.142 1.100 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.263 -2.313 0.711 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.721 -0.701 1.683 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.625 1.713 1.104 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.075 1.154 1.776 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.248 1.397 0.022 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.042 0.161 -0.230 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.670 -0.157 -1.319 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.506 -1.511 -0.522 1.00 0.00 H new ATOM 187 N LEU A 13 -5.775 -0.103 -1.220 1.00 0.00 N ATOM 188 CA LEU A 13 -5.300 0.089 -2.622 1.00 0.00 C ATOM 189 C LEU A 13 -4.016 -0.712 -2.850 1.00 0.00 C ATOM 190 O LEU A 13 -3.795 -1.255 -3.913 1.00 0.00 O ATOM 191 CB LEU A 13 -5.026 1.574 -2.868 1.00 0.00 C ATOM 192 CG LEU A 13 -6.321 2.368 -2.693 1.00 0.00 C ATOM 193 CD1 LEU A 13 -5.988 3.808 -2.298 1.00 0.00 C ATOM 194 CD2 LEU A 13 -7.100 2.369 -4.010 1.00 0.00 C ATOM 0 H LEU A 13 -5.469 0.608 -0.556 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.068 -0.260 -3.312 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.269 1.935 -2.172 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.631 1.720 -3.873 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.926 1.908 -1.912 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.911 4.374 -2.173 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.432 3.809 -1.360 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.383 4.269 -3.079 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.023 2.935 -3.886 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.494 2.829 -4.791 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.338 1.344 -4.293 1.00 0.00 H new ATOM 206 N LEU A 14 -3.166 -0.790 -1.863 1.00 0.00 N ATOM 207 CA LEU A 14 -1.899 -1.556 -2.034 1.00 0.00 C ATOM 208 C LEU A 14 -2.217 -2.959 -2.552 1.00 0.00 C ATOM 209 O LEU A 14 -1.763 -3.358 -3.607 1.00 0.00 O ATOM 210 CB LEU A 14 -1.177 -1.648 -0.690 1.00 0.00 C ATOM 211 CG LEU A 14 -0.883 -0.235 -0.183 1.00 0.00 C ATOM 212 CD1 LEU A 14 -0.024 -0.311 1.079 1.00 0.00 C ATOM 213 CD2 LEU A 14 -0.133 0.548 -1.264 1.00 0.00 C ATOM 0 H LEU A 14 -3.293 -0.358 -0.948 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.257 -1.047 -2.753 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.792 -2.186 0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.249 -2.209 -0.799 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.821 0.269 0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.184 0.697 1.439 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.557 -0.868 1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.915 -0.816 0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.077 1.555 -0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.805 0.042 -1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.746 0.605 -2.164 1.00 0.00 H new ATOM 225 N LYS A 15 -2.996 -3.713 -1.826 1.00 0.00 N ATOM 226 CA LYS A 15 -3.341 -5.087 -2.291 1.00 0.00 C ATOM 227 C LYS A 15 -3.792 -5.021 -3.751 1.00 0.00 C ATOM 228 O LYS A 15 -3.535 -5.916 -4.533 1.00 0.00 O ATOM 229 CB LYS A 15 -4.474 -5.650 -1.432 1.00 0.00 C ATOM 230 CG LYS A 15 -4.221 -5.306 0.036 1.00 0.00 C ATOM 231 CD LYS A 15 -4.723 -6.447 0.922 1.00 0.00 C ATOM 232 CE LYS A 15 -6.247 -6.532 0.828 1.00 0.00 C ATOM 233 NZ LYS A 15 -6.753 -7.519 1.823 1.00 0.00 N ATOM 0 H LYS A 15 -3.408 -3.439 -0.934 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.468 -5.734 -2.203 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.429 -5.235 -1.754 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.537 -6.731 -1.558 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.156 -5.143 0.204 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.731 -4.378 0.296 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.275 -7.390 0.608 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.420 -6.279 1.956 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.688 -5.553 1.014 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.544 -6.829 -0.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.789 -7.577 1.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.341 -8.453 1.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.482 -7.217 2.780 1.00 0.00 H new ATOM 247 N LYS A 16 -4.463 -3.966 -4.124 1.00 0.00 N ATOM 248 CA LYS A 16 -4.931 -3.839 -5.532 1.00 0.00 C ATOM 249 C LYS A 16 -3.734 -3.957 -6.478 1.00 0.00 C ATOM 250 O LYS A 16 -3.773 -4.670 -7.460 1.00 0.00 O ATOM 251 CB LYS A 16 -5.602 -2.478 -5.725 1.00 0.00 C ATOM 252 CG LYS A 16 -6.355 -2.465 -7.057 1.00 0.00 C ATOM 253 CD LYS A 16 -7.776 -1.944 -6.836 1.00 0.00 C ATOM 254 CE LYS A 16 -8.123 -0.930 -7.927 1.00 0.00 C ATOM 255 NZ LYS A 16 -9.523 -1.156 -8.389 1.00 0.00 N ATOM 0 H LYS A 16 -4.707 -3.186 -3.514 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.647 -4.631 -5.751 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.291 -2.280 -4.904 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.853 -1.686 -5.711 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.833 -1.834 -7.776 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.386 -3.470 -7.479 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.485 -2.772 -6.855 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.855 -1.479 -5.854 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.015 0.084 -7.543 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.432 -1.030 -8.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.759 -0.467 -9.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.611 -2.119 -8.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.176 -1.040 -7.588 1.00 0.00 H new ATOM 269 N ALA A 17 -2.670 -3.261 -6.187 1.00 0.00 N ATOM 270 CA ALA A 17 -1.469 -3.331 -7.067 1.00 0.00 C ATOM 271 C ALA A 17 -1.199 -4.788 -7.447 1.00 0.00 C ATOM 272 O ALA A 17 -1.333 -5.177 -8.589 1.00 0.00 O ATOM 273 CB ALA A 17 -0.259 -2.765 -6.322 1.00 0.00 C ATOM 0 H ALA A 17 -2.580 -2.647 -5.378 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.645 -2.747 -7.971 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.620 -2.816 -6.964 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.451 -1.727 -6.051 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.082 -3.349 -5.419 1.00 0.00 H new ATOM 279 N ALA A 18 -0.820 -5.598 -6.496 1.00 0.00 N ATOM 280 CA ALA A 18 -0.545 -7.029 -6.805 1.00 0.00 C ATOM 281 C ALA A 18 -1.699 -7.601 -7.630 1.00 0.00 C ATOM 282 O ALA A 18 -1.528 -7.986 -8.769 1.00 0.00 O ATOM 283 CB ALA A 18 -0.412 -7.817 -5.500 1.00 0.00 C ATOM 0 H ALA A 18 -0.689 -5.331 -5.520 1.00 0.00 H new ATOM 0 HA ALA A 18 0.383 -7.107 -7.372 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.211 -8.864 -5.726 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.409 -7.409 -4.911 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.339 -7.740 -4.932 1.00 0.00 H new ATOM 289 N GLY A 19 -2.873 -7.660 -7.064 1.00 0.00 N ATOM 290 CA GLY A 19 -4.037 -8.207 -7.816 1.00 0.00 C ATOM 291 C GLY A 19 -4.856 -9.117 -6.899 1.00 0.00 C ATOM 292 O GLY A 19 -5.313 -10.169 -7.299 1.00 0.00 O ATOM 0 H GLY A 19 -3.076 -7.353 -6.113 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.659 -7.392 -8.187 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.691 -8.766 -8.686 1.00 0.00 H new ATOM 485 N ALA A 33 1.116 -12.975 0.201 1.00 0.00 N ATOM 486 CA ALA A 33 1.302 -12.469 -1.189 1.00 0.00 C ATOM 487 C ALA A 33 2.461 -11.472 -1.207 1.00 0.00 C ATOM 488 O ALA A 33 2.657 -10.720 -0.274 1.00 0.00 O ATOM 489 CB ALA A 33 0.024 -11.770 -1.653 1.00 0.00 C ATOM 0 HA ALA A 33 1.521 -13.302 -1.857 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.160 -11.400 -2.669 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.805 -12.477 -1.632 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.195 -10.934 -0.989 1.00 0.00 H new ATOM 495 N THR A 34 3.235 -11.459 -2.257 1.00 0.00 N ATOM 496 CA THR A 34 4.379 -10.506 -2.318 1.00 0.00 C ATOM 497 C THR A 34 3.996 -9.297 -3.174 1.00 0.00 C ATOM 498 O THR A 34 3.306 -9.419 -4.166 1.00 0.00 O ATOM 499 CB THR A 34 5.597 -11.204 -2.925 1.00 0.00 C ATOM 500 OG1 THR A 34 5.167 -12.306 -3.712 1.00 0.00 O ATOM 501 CG2 THR A 34 6.510 -11.698 -1.802 1.00 0.00 C ATOM 0 H THR A 34 3.126 -12.063 -3.071 1.00 0.00 H new ATOM 0 HA THR A 34 4.623 -10.169 -1.310 1.00 0.00 H new ATOM 0 HB THR A 34 6.145 -10.503 -3.555 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.947 -12.753 -4.103 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.379 -12.196 -2.232 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.838 -10.850 -1.201 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.964 -12.400 -1.172 1.00 0.00 H new ATOM 509 N ILE A 35 4.439 -8.130 -2.794 1.00 0.00 N ATOM 510 CA ILE A 35 4.101 -6.908 -3.577 1.00 0.00 C ATOM 511 C ILE A 35 5.386 -6.204 -4.009 1.00 0.00 C ATOM 512 O ILE A 35 6.148 -5.728 -3.192 1.00 0.00 O ATOM 513 CB ILE A 35 3.283 -5.956 -2.702 1.00 0.00 C ATOM 514 CG1 ILE A 35 2.043 -6.688 -2.166 1.00 0.00 C ATOM 515 CG2 ILE A 35 2.858 -4.737 -3.527 1.00 0.00 C ATOM 516 CD1 ILE A 35 0.932 -6.692 -3.220 1.00 0.00 C ATOM 0 H ILE A 35 5.022 -7.970 -1.973 1.00 0.00 H new ATOM 0 HA ILE A 35 3.525 -7.192 -4.457 1.00 0.00 H new ATOM 0 HB ILE A 35 3.890 -5.621 -1.861 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.304 -7.712 -1.899 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.690 -6.201 -1.257 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.275 -4.060 -2.902 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.744 -4.220 -3.895 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.252 -5.063 -4.372 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.059 -7.214 -2.827 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.660 -5.666 -3.466 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.284 -7.200 -4.118 1.00 0.00 H new ATOM 528 N LYS A 36 5.633 -6.120 -5.286 1.00 0.00 N ATOM 529 CA LYS A 36 6.867 -5.431 -5.752 1.00 0.00 C ATOM 530 C LYS A 36 6.933 -4.046 -5.107 1.00 0.00 C ATOM 531 O LYS A 36 5.923 -3.470 -4.756 1.00 0.00 O ATOM 532 CB LYS A 36 6.829 -5.287 -7.276 1.00 0.00 C ATOM 533 CG LYS A 36 7.192 -6.624 -7.925 1.00 0.00 C ATOM 534 CD LYS A 36 8.649 -6.586 -8.392 1.00 0.00 C ATOM 535 CE LYS A 36 9.225 -8.003 -8.388 1.00 0.00 C ATOM 536 NZ LYS A 36 10.081 -8.195 -9.593 1.00 0.00 N ATOM 0 H LYS A 36 5.037 -6.496 -6.023 1.00 0.00 H new ATOM 0 HA LYS A 36 7.745 -6.012 -5.470 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.836 -4.973 -7.597 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.527 -4.514 -7.596 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.048 -7.437 -7.213 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.533 -6.821 -8.771 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.710 -6.161 -9.394 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.235 -5.942 -7.736 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.810 -8.166 -7.483 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.418 -8.735 -8.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.473 -9.158 -9.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.509 -8.056 -10.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.859 -7.505 -9.580 1.00 0.00 H new ATOM 550 N ARG A 37 8.107 -3.500 -4.952 1.00 0.00 N ATOM 551 CA ARG A 37 8.214 -2.152 -4.336 1.00 0.00 C ATOM 552 C ARG A 37 7.815 -1.114 -5.378 1.00 0.00 C ATOM 553 O ARG A 37 7.300 -0.060 -5.063 1.00 0.00 O ATOM 554 CB ARG A 37 9.655 -1.900 -3.890 1.00 0.00 C ATOM 555 CG ARG A 37 9.652 -1.198 -2.530 1.00 0.00 C ATOM 556 CD ARG A 37 9.549 -2.241 -1.416 1.00 0.00 C ATOM 557 NE ARG A 37 10.889 -2.441 -0.794 1.00 0.00 N ATOM 558 CZ ARG A 37 11.174 -1.865 0.342 1.00 0.00 C ATOM 559 NH1 ARG A 37 10.663 -0.699 0.629 1.00 0.00 N ATOM 560 NH2 ARG A 37 11.970 -2.455 1.190 1.00 0.00 N ATOM 0 H ARG A 37 8.992 -3.928 -5.224 1.00 0.00 H new ATOM 0 HA ARG A 37 7.559 -2.086 -3.467 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.197 -2.844 -3.823 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.173 -1.286 -4.627 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.563 -0.611 -2.410 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.815 -0.503 -2.470 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.832 -1.914 -0.663 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.180 -3.184 -1.819 1.00 0.00 H new ATOM 0 HE ARG A 37 11.583 -3.028 -1.256 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.041 -0.238 -0.035 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.886 -0.249 1.517 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.370 -3.366 0.965 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.193 -2.005 2.078 1.00 0.00 H new ATOM 574 N ASP A 38 8.046 -1.415 -6.624 1.00 0.00 N ATOM 575 CA ASP A 38 7.679 -0.459 -7.700 1.00 0.00 C ATOM 576 C ASP A 38 6.155 -0.364 -7.786 1.00 0.00 C ATOM 577 O ASP A 38 5.607 0.625 -8.231 1.00 0.00 O ATOM 578 CB ASP A 38 8.237 -0.953 -9.036 1.00 0.00 C ATOM 579 CG ASP A 38 8.179 0.180 -10.063 1.00 0.00 C ATOM 580 OD1 ASP A 38 9.016 1.064 -9.986 1.00 0.00 O ATOM 581 OD2 ASP A 38 7.300 0.144 -10.906 1.00 0.00 O ATOM 0 H ASP A 38 8.474 -2.284 -6.943 1.00 0.00 H new ATOM 0 HA ASP A 38 8.097 0.523 -7.477 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.265 -1.292 -8.910 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.661 -1.808 -9.389 1.00 0.00 H new ATOM 586 N LYS A 39 5.467 -1.388 -7.358 1.00 0.00 N ATOM 587 CA LYS A 39 3.979 -1.365 -7.406 1.00 0.00 C ATOM 588 C LYS A 39 3.441 -0.718 -6.130 1.00 0.00 C ATOM 589 O LYS A 39 2.851 0.344 -6.159 1.00 0.00 O ATOM 590 CB LYS A 39 3.450 -2.797 -7.512 1.00 0.00 C ATOM 591 CG LYS A 39 3.084 -3.101 -8.964 1.00 0.00 C ATOM 592 CD LYS A 39 1.679 -2.571 -9.258 1.00 0.00 C ATOM 593 CE LYS A 39 1.239 -3.031 -10.648 1.00 0.00 C ATOM 594 NZ LYS A 39 -0.229 -3.285 -10.646 1.00 0.00 N ATOM 0 H LYS A 39 5.874 -2.242 -6.976 1.00 0.00 H new ATOM 0 HA LYS A 39 3.651 -0.791 -8.273 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.204 -3.501 -7.161 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.576 -2.921 -6.872 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.807 -2.639 -9.637 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.124 -4.175 -9.143 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.978 -2.932 -8.505 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.671 -1.482 -9.205 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.486 -2.271 -11.389 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.775 -3.937 -10.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.515 -3.678 -11.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.463 -3.962 -9.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.736 -2.392 -10.479 1.00 0.00 H new ATOM 608 N VAL A 40 3.641 -1.351 -5.006 1.00 0.00 N ATOM 609 CA VAL A 40 3.144 -0.772 -3.727 1.00 0.00 C ATOM 610 C VAL A 40 3.552 0.706 -3.651 1.00 0.00 C ATOM 611 O VAL A 40 2.757 1.570 -3.332 1.00 0.00 O ATOM 612 CB VAL A 40 3.733 -1.573 -2.545 1.00 0.00 C ATOM 613 CG1 VAL A 40 4.965 -0.869 -1.960 1.00 0.00 C ATOM 614 CG2 VAL A 40 2.668 -1.718 -1.456 1.00 0.00 C ATOM 0 H VAL A 40 4.127 -2.244 -4.919 1.00 0.00 H new ATOM 0 HA VAL A 40 2.057 -0.833 -3.678 1.00 0.00 H new ATOM 0 HB VAL A 40 4.038 -2.554 -2.909 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.359 -1.455 -1.130 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.729 -0.773 -2.731 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.683 0.122 -1.603 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.078 -2.283 -0.619 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.362 -0.730 -1.112 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.804 -2.245 -1.860 1.00 0.00 H new ATOM 624 N ARG A 41 4.790 0.999 -3.945 1.00 0.00 N ATOM 625 CA ARG A 41 5.261 2.410 -3.892 1.00 0.00 C ATOM 626 C ARG A 41 4.483 3.255 -4.905 1.00 0.00 C ATOM 627 O ARG A 41 3.997 4.322 -4.588 1.00 0.00 O ATOM 628 CB ARG A 41 6.752 2.463 -4.229 1.00 0.00 C ATOM 629 CG ARG A 41 7.237 3.912 -4.173 1.00 0.00 C ATOM 630 CD ARG A 41 7.737 4.338 -5.554 1.00 0.00 C ATOM 631 NE ARG A 41 9.119 3.819 -5.763 1.00 0.00 N ATOM 632 CZ ARG A 41 10.067 4.135 -4.924 1.00 0.00 C ATOM 633 NH1 ARG A 41 10.022 5.273 -4.286 1.00 0.00 N ATOM 634 NH2 ARG A 41 11.062 3.315 -4.725 1.00 0.00 N ATOM 0 H ARG A 41 5.497 0.318 -4.221 1.00 0.00 H new ATOM 0 HA ARG A 41 5.097 2.805 -2.890 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.317 1.852 -3.525 1.00 0.00 H new ATOM 0 HB3 ARG A 41 6.926 2.048 -5.222 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.426 4.565 -3.851 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.037 4.011 -3.439 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.072 3.954 -6.328 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.729 5.425 -5.636 1.00 0.00 H new ATOM 0 HE ARG A 41 9.323 3.218 -6.561 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.246 5.915 -4.443 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.763 5.520 -3.630 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.099 2.427 -5.225 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.803 3.562 -4.069 1.00 0.00 H new ATOM 648 N GLU A 42 4.365 2.789 -6.120 1.00 0.00 N ATOM 649 CA GLU A 42 3.621 3.571 -7.151 1.00 0.00 C ATOM 650 C GLU A 42 2.343 4.143 -6.535 1.00 0.00 C ATOM 651 O GLU A 42 2.087 5.330 -6.600 1.00 0.00 O ATOM 652 CB GLU A 42 3.256 2.654 -8.321 1.00 0.00 C ATOM 653 CG GLU A 42 2.501 3.458 -9.383 1.00 0.00 C ATOM 654 CD GLU A 42 3.499 4.254 -10.226 1.00 0.00 C ATOM 655 OE1 GLU A 42 4.449 4.765 -9.658 1.00 0.00 O ATOM 656 OE2 GLU A 42 3.294 4.341 -11.426 1.00 0.00 O ATOM 0 H GLU A 42 4.751 1.902 -6.443 1.00 0.00 H new ATOM 0 HA GLU A 42 4.248 4.387 -7.510 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.158 2.219 -8.752 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.640 1.826 -7.970 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.924 2.787 -10.020 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.791 4.134 -8.906 1.00 0.00 H new ATOM 663 N ILE A 43 1.540 3.311 -5.934 1.00 0.00 N ATOM 664 CA ILE A 43 0.284 3.813 -5.312 1.00 0.00 C ATOM 665 C ILE A 43 0.632 4.874 -4.268 1.00 0.00 C ATOM 666 O ILE A 43 -0.021 5.894 -4.161 1.00 0.00 O ATOM 667 CB ILE A 43 -0.450 2.653 -4.637 1.00 0.00 C ATOM 668 CG1 ILE A 43 -1.026 1.724 -5.709 1.00 0.00 C ATOM 669 CG2 ILE A 43 -1.588 3.202 -3.776 1.00 0.00 C ATOM 670 CD1 ILE A 43 -0.211 0.430 -5.755 1.00 0.00 C ATOM 0 H ILE A 43 1.698 2.307 -5.847 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.357 4.248 -6.078 1.00 0.00 H new ATOM 0 HB ILE A 43 0.246 2.098 -4.008 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.070 1.501 -5.489 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.003 2.215 -6.682 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.111 2.376 -3.295 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.180 3.866 -3.014 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.285 3.756 -4.405 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.621 -0.231 -6.518 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.827 0.662 -5.995 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.257 -0.064 -4.784 1.00 0.00 H new ATOM 682 N ALA A 44 1.663 4.645 -3.500 1.00 0.00 N ATOM 683 CA ALA A 44 2.059 5.640 -2.465 1.00 0.00 C ATOM 684 C ALA A 44 2.352 6.985 -3.135 1.00 0.00 C ATOM 685 O ALA A 44 2.173 8.033 -2.548 1.00 0.00 O ATOM 686 CB ALA A 44 3.314 5.148 -1.741 1.00 0.00 C ATOM 0 H ALA A 44 2.248 3.811 -3.546 1.00 0.00 H new ATOM 0 HA ALA A 44 1.248 5.761 -1.747 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.605 5.875 -0.983 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.107 4.190 -1.264 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.125 5.028 -2.459 1.00 0.00 H new ATOM 692 N GLU A 45 2.800 6.964 -4.361 1.00 0.00 N ATOM 693 CA GLU A 45 3.102 8.242 -5.066 1.00 0.00 C ATOM 694 C GLU A 45 1.793 8.941 -5.434 1.00 0.00 C ATOM 695 O GLU A 45 1.675 10.147 -5.346 1.00 0.00 O ATOM 696 CB GLU A 45 3.900 7.948 -6.340 1.00 0.00 C ATOM 697 CG GLU A 45 5.323 8.489 -6.186 1.00 0.00 C ATOM 698 CD GLU A 45 5.414 9.879 -6.820 1.00 0.00 C ATOM 699 OE1 GLU A 45 4.625 10.732 -6.448 1.00 0.00 O ATOM 700 OE2 GLU A 45 6.273 10.067 -7.665 1.00 0.00 O ATOM 0 H GLU A 45 2.970 6.118 -4.904 1.00 0.00 H new ATOM 0 HA GLU A 45 3.688 8.888 -4.412 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.926 6.874 -6.526 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.415 8.409 -7.200 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.591 8.541 -5.131 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.033 7.813 -6.662 1.00 0.00 H new ATOM 707 N LEU A 46 0.805 8.192 -5.842 1.00 0.00 N ATOM 708 CA LEU A 46 -0.497 8.814 -6.209 1.00 0.00 C ATOM 709 C LEU A 46 -1.120 9.444 -4.964 1.00 0.00 C ATOM 710 O LEU A 46 -1.866 10.401 -5.044 1.00 0.00 O ATOM 711 CB LEU A 46 -1.437 7.744 -6.766 1.00 0.00 C ATOM 712 CG LEU A 46 -1.983 8.199 -8.120 1.00 0.00 C ATOM 713 CD1 LEU A 46 -2.882 9.422 -7.924 1.00 0.00 C ATOM 714 CD2 LEU A 46 -0.816 8.566 -9.039 1.00 0.00 C ATOM 0 H LEU A 46 0.844 7.177 -5.937 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.336 9.581 -6.967 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.905 6.799 -6.875 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.258 7.569 -6.071 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.562 7.392 -8.569 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.271 9.746 -8.889 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.712 9.162 -7.267 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.304 10.230 -7.476 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.202 8.891 -10.005 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.238 9.373 -8.589 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.175 7.695 -9.178 1.00 0.00 H new ATOM 726 N LYS A 47 -0.813 8.917 -3.809 1.00 0.00 N ATOM 727 CA LYS A 47 -1.378 9.485 -2.555 1.00 0.00 C ATOM 728 C LYS A 47 -0.272 10.223 -1.796 1.00 0.00 C ATOM 729 O LYS A 47 -0.406 10.538 -0.630 1.00 0.00 O ATOM 730 CB LYS A 47 -1.929 8.352 -1.685 1.00 0.00 C ATOM 731 CG LYS A 47 -2.982 7.570 -2.473 1.00 0.00 C ATOM 732 CD LYS A 47 -2.827 6.074 -2.190 1.00 0.00 C ATOM 733 CE LYS A 47 -3.237 5.781 -0.746 1.00 0.00 C ATOM 734 NZ LYS A 47 -2.049 5.314 0.022 1.00 0.00 N ATOM 0 H LYS A 47 -0.194 8.116 -3.682 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.183 10.179 -2.795 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.121 7.688 -1.379 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.369 8.759 -0.775 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.982 7.902 -2.193 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.870 7.762 -3.540 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.445 5.497 -2.878 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.794 5.767 -2.355 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.652 6.678 -0.285 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.018 5.021 -0.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.227 4.357 0.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.217 5.296 -0.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.872 5.962 0.816 1.00 0.00 H new ATOM 748 N MET A 48 0.823 10.499 -2.453 1.00 0.00 N ATOM 749 CA MET A 48 1.943 11.214 -1.780 1.00 0.00 C ATOM 750 C MET A 48 1.431 12.537 -1.184 1.00 0.00 C ATOM 751 O MET A 48 1.669 12.815 -0.025 1.00 0.00 O ATOM 752 CB MET A 48 3.069 11.469 -2.802 1.00 0.00 C ATOM 753 CG MET A 48 3.831 12.756 -2.461 1.00 0.00 C ATOM 754 SD MET A 48 5.483 12.692 -3.196 1.00 0.00 S ATOM 755 CE MET A 48 6.412 13.094 -1.695 1.00 0.00 C ATOM 0 H MET A 48 0.989 10.259 -3.430 1.00 0.00 H new ATOM 0 HA MET A 48 2.339 10.605 -0.967 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.758 10.624 -2.810 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.647 11.545 -3.804 1.00 0.00 H new ATOM 0 HG2 MET A 48 3.288 13.623 -2.836 1.00 0.00 H new ATOM 0 HG3 MET A 48 3.907 12.871 -1.380 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.476 12.937 -1.873 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.239 14.136 -1.428 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.082 12.451 -0.879 1.00 0.00 H new ATOM 765 N PRO A 49 0.748 13.314 -1.987 1.00 0.00 N ATOM 766 CA PRO A 49 0.202 14.609 -1.546 1.00 0.00 C ATOM 767 C PRO A 49 -1.059 14.393 -0.706 1.00 0.00 C ATOM 768 O PRO A 49 -1.493 15.268 0.018 1.00 0.00 O ATOM 769 CB PRO A 49 -0.123 15.329 -2.857 1.00 0.00 C ATOM 770 CG PRO A 49 -0.283 14.228 -3.931 1.00 0.00 C ATOM 771 CD PRO A 49 0.452 12.983 -3.398 1.00 0.00 C ATOM 0 HA PRO A 49 0.889 15.177 -0.919 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.037 15.915 -2.762 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.673 16.022 -3.127 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.336 14.010 -4.108 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.140 14.550 -4.882 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.168 12.090 -3.476 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.364 12.787 -3.961 1.00 0.00 H new ATOM 779 N ASP A 50 -1.646 13.231 -0.793 1.00 0.00 N ATOM 780 CA ASP A 50 -2.874 12.954 0.005 1.00 0.00 C ATOM 781 C ASP A 50 -2.520 12.024 1.167 1.00 0.00 C ATOM 782 O ASP A 50 -3.383 11.485 1.831 1.00 0.00 O ATOM 783 CB ASP A 50 -3.923 12.286 -0.886 1.00 0.00 C ATOM 784 CG ASP A 50 -4.434 13.294 -1.916 1.00 0.00 C ATOM 785 OD1 ASP A 50 -4.997 14.297 -1.506 1.00 0.00 O ATOM 786 OD2 ASP A 50 -4.254 13.048 -3.097 1.00 0.00 O ATOM 0 H ASP A 50 -1.328 12.461 -1.382 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.276 13.889 0.395 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.490 11.422 -1.391 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.751 11.919 -0.279 1.00 0.00 H new ATOM 791 N LEU A 51 -1.253 11.833 1.419 1.00 0.00 N ATOM 792 CA LEU A 51 -0.838 10.941 2.537 1.00 0.00 C ATOM 793 C LEU A 51 -0.122 11.769 3.606 1.00 0.00 C ATOM 794 O LEU A 51 0.446 11.235 4.539 1.00 0.00 O ATOM 795 CB LEU A 51 0.114 9.866 2.008 1.00 0.00 C ATOM 796 CG LEU A 51 -0.695 8.720 1.398 1.00 0.00 C ATOM 797 CD1 LEU A 51 0.217 7.866 0.515 1.00 0.00 C ATOM 798 CD2 LEU A 51 -1.275 7.852 2.518 1.00 0.00 C ATOM 0 H LEU A 51 -0.487 12.258 0.897 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.719 10.466 2.969 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.781 10.293 1.259 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.741 9.492 2.817 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.507 9.129 0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.359 7.049 0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.632 8.482 -0.282 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.028 7.457 1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.852 7.035 2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.463 7.443 3.119 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.924 8.459 3.149 1.00 0.00 H new ATOM 810 N ASN A 52 -0.140 13.067 3.478 1.00 0.00 N ATOM 811 CA ASN A 52 0.545 13.924 4.487 1.00 0.00 C ATOM 812 C ASN A 52 2.009 13.496 4.602 1.00 0.00 C ATOM 813 O ASN A 52 2.678 13.789 5.574 1.00 0.00 O ATOM 814 CB ASN A 52 -0.144 13.767 5.843 1.00 0.00 C ATOM 815 CG ASN A 52 -1.644 13.556 5.630 1.00 0.00 C ATOM 816 OD1 ASN A 52 -2.232 14.145 4.745 1.00 0.00 O ATOM 817 ND2 ASN A 52 -2.293 12.734 6.409 1.00 0.00 N ATOM 0 H ASN A 52 -0.599 13.571 2.719 1.00 0.00 H new ATOM 0 HA ASN A 52 0.494 14.968 4.176 1.00 0.00 H new ATOM 0 HB2 ASN A 52 0.280 12.921 6.383 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.026 14.653 6.455 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.293 12.586 6.274 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.800 12.239 7.152 1.00 0.00 H new ATOM 824 N ALA A 53 2.511 12.804 3.616 1.00 0.00 N ATOM 825 CA ALA A 53 3.930 12.354 3.665 1.00 0.00 C ATOM 826 C ALA A 53 4.834 13.456 3.109 1.00 0.00 C ATOM 827 O ALA A 53 4.792 13.776 1.938 1.00 0.00 O ATOM 828 CB ALA A 53 4.092 11.088 2.822 1.00 0.00 C ATOM 0 H ALA A 53 1.998 12.531 2.778 1.00 0.00 H new ATOM 0 HA ALA A 53 4.209 12.142 4.697 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.130 10.758 2.857 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.448 10.303 3.217 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.814 11.300 1.790 1.00 0.00 H new ATOM 834 N ALA A 54 5.652 14.039 3.941 1.00 0.00 N ATOM 835 CA ALA A 54 6.559 15.119 3.461 1.00 0.00 C ATOM 836 C ALA A 54 7.387 14.603 2.283 1.00 0.00 C ATOM 837 O ALA A 54 7.827 15.361 1.442 1.00 0.00 O ATOM 838 CB ALA A 54 7.493 15.540 4.596 1.00 0.00 C ATOM 0 H ALA A 54 5.732 13.814 4.933 1.00 0.00 H new ATOM 0 HA ALA A 54 5.967 15.976 3.140 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.157 16.330 4.246 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.903 15.907 5.436 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.086 14.683 4.916 1.00 0.00 H new ATOM 844 N SER A 55 7.599 13.318 2.213 1.00 0.00 N ATOM 845 CA SER A 55 8.397 12.755 1.088 1.00 0.00 C ATOM 846 C SER A 55 8.002 11.294 0.865 1.00 0.00 C ATOM 847 O SER A 55 7.190 10.743 1.582 1.00 0.00 O ATOM 848 CB SER A 55 9.886 12.837 1.424 1.00 0.00 C ATOM 849 OG SER A 55 10.076 12.516 2.796 1.00 0.00 O ATOM 0 H SER A 55 7.254 12.634 2.886 1.00 0.00 H new ATOM 0 HA SER A 55 8.200 13.327 0.181 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.451 12.148 0.796 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.263 13.839 1.217 1.00 0.00 H new ATOM 0 HG SER A 55 11.030 12.566 3.015 1.00 0.00 H new ATOM 855 N ILE A 56 8.571 10.661 -0.124 1.00 0.00 N ATOM 856 CA ILE A 56 8.227 9.237 -0.394 1.00 0.00 C ATOM 857 C ILE A 56 8.720 8.364 0.762 1.00 0.00 C ATOM 858 O ILE A 56 8.023 7.485 1.231 1.00 0.00 O ATOM 859 CB ILE A 56 8.897 8.790 -1.693 1.00 0.00 C ATOM 860 CG1 ILE A 56 8.594 9.804 -2.798 1.00 0.00 C ATOM 861 CG2 ILE A 56 8.360 7.418 -2.101 1.00 0.00 C ATOM 862 CD1 ILE A 56 7.081 9.891 -3.010 1.00 0.00 C ATOM 0 H ILE A 56 9.259 11.069 -0.757 1.00 0.00 H new ATOM 0 HA ILE A 56 7.146 9.136 -0.489 1.00 0.00 H new ATOM 0 HB ILE A 56 9.975 8.727 -1.541 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.991 10.782 -2.527 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.085 9.506 -3.724 1.00 0.00 H new ATOM 0 HG21 ILE A 56 8.839 7.101 -3.027 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.576 6.694 -1.315 1.00 0.00 H new ATOM 0 HG23 ILE A 56 7.282 7.479 -2.252 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.865 10.613 -3.797 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.697 8.913 -3.300 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.602 10.209 -2.084 1.00 0.00 H new ATOM 874 N GLU A 57 9.916 8.597 1.227 1.00 0.00 N ATOM 875 CA GLU A 57 10.446 7.779 2.354 1.00 0.00 C ATOM 876 C GLU A 57 9.382 7.684 3.450 1.00 0.00 C ATOM 877 O GLU A 57 9.320 6.722 4.187 1.00 0.00 O ATOM 878 CB GLU A 57 11.707 8.440 2.918 1.00 0.00 C ATOM 879 CG GLU A 57 12.727 8.632 1.794 1.00 0.00 C ATOM 880 CD GLU A 57 14.142 8.531 2.365 1.00 0.00 C ATOM 881 OE1 GLU A 57 14.593 7.419 2.586 1.00 0.00 O ATOM 882 OE2 GLU A 57 14.752 9.568 2.571 1.00 0.00 O ATOM 0 H GLU A 57 10.548 9.317 0.876 1.00 0.00 H new ATOM 0 HA GLU A 57 10.694 6.779 1.997 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.457 9.402 3.366 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.133 7.822 3.708 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.580 7.876 1.023 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.583 9.603 1.320 1.00 0.00 H new ATOM 889 N ALA A 58 8.540 8.677 3.557 1.00 0.00 N ATOM 890 CA ALA A 58 7.477 8.644 4.600 1.00 0.00 C ATOM 891 C ALA A 58 6.227 7.971 4.027 1.00 0.00 C ATOM 892 O ALA A 58 5.487 7.313 4.730 1.00 0.00 O ATOM 893 CB ALA A 58 7.136 10.073 5.027 1.00 0.00 C ATOM 0 H ALA A 58 8.543 9.509 2.967 1.00 0.00 H new ATOM 0 HA ALA A 58 7.831 8.082 5.465 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.358 10.049 5.790 1.00 0.00 H new ATOM 0 HB2 ALA A 58 8.026 10.554 5.432 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.780 10.636 4.164 1.00 0.00 H new ATOM 899 N ALA A 59 5.988 8.128 2.753 1.00 0.00 N ATOM 900 CA ALA A 59 4.789 7.494 2.135 1.00 0.00 C ATOM 901 C ALA A 59 4.991 5.979 2.076 1.00 0.00 C ATOM 902 O ALA A 59 4.312 5.222 2.745 1.00 0.00 O ATOM 903 CB ALA A 59 4.598 8.038 0.717 1.00 0.00 C ATOM 0 H ALA A 59 6.571 8.668 2.114 1.00 0.00 H new ATOM 0 HA ALA A 59 3.907 7.722 2.733 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.721 7.575 0.265 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.457 9.118 0.758 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.479 7.809 0.118 1.00 0.00 H new ATOM 909 N MET A 60 5.925 5.530 1.285 1.00 0.00 N ATOM 910 CA MET A 60 6.176 4.067 1.189 1.00 0.00 C ATOM 911 C MET A 60 6.240 3.480 2.599 1.00 0.00 C ATOM 912 O MET A 60 5.958 2.318 2.814 1.00 0.00 O ATOM 913 CB MET A 60 7.505 3.823 0.472 1.00 0.00 C ATOM 914 CG MET A 60 7.846 2.333 0.517 1.00 0.00 C ATOM 915 SD MET A 60 8.178 1.739 -1.161 1.00 0.00 S ATOM 916 CE MET A 60 9.804 2.508 -1.358 1.00 0.00 C ATOM 0 H MET A 60 6.525 6.113 0.701 1.00 0.00 H new ATOM 0 HA MET A 60 5.372 3.590 0.628 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.439 4.160 -0.562 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.297 4.402 0.946 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.716 2.167 1.152 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.020 1.773 0.956 1.00 0.00 H new ATOM 0 HE1 MET A 60 10.249 2.181 -2.298 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.695 3.593 -1.366 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.448 2.214 -0.530 1.00 0.00 H new ATOM 926 N ARG A 61 6.608 4.280 3.562 1.00 0.00 N ATOM 927 CA ARG A 61 6.691 3.778 4.960 1.00 0.00 C ATOM 928 C ARG A 61 5.335 3.210 5.377 1.00 0.00 C ATOM 929 O ARG A 61 5.235 2.094 5.847 1.00 0.00 O ATOM 930 CB ARG A 61 7.072 4.930 5.890 1.00 0.00 C ATOM 931 CG ARG A 61 7.709 4.370 7.163 1.00 0.00 C ATOM 932 CD ARG A 61 6.610 3.913 8.124 1.00 0.00 C ATOM 933 NE ARG A 61 6.919 2.540 8.615 1.00 0.00 N ATOM 934 CZ ARG A 61 6.802 2.260 9.884 1.00 0.00 C ATOM 935 NH1 ARG A 61 5.892 2.859 10.602 1.00 0.00 N ATOM 936 NH2 ARG A 61 7.596 1.383 10.433 1.00 0.00 N ATOM 0 H ARG A 61 6.855 5.262 3.439 1.00 0.00 H new ATOM 0 HA ARG A 61 7.446 2.995 5.024 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.768 5.602 5.388 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.188 5.516 6.141 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.363 3.534 6.917 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.329 5.131 7.638 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.537 4.603 8.964 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.644 3.921 7.619 1.00 0.00 H new ATOM 0 HE ARG A 61 7.222 1.820 7.959 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.273 3.546 10.171 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.800 2.641 11.594 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.308 0.917 9.870 1.00 0.00 H new ATOM 0 HH22 ARG A 61 7.505 1.163 11.425 1.00 0.00 H new ATOM 950 N MET A 62 4.290 3.968 5.203 1.00 0.00 N ATOM 951 CA MET A 62 2.937 3.473 5.583 1.00 0.00 C ATOM 952 C MET A 62 2.532 2.347 4.632 1.00 0.00 C ATOM 953 O MET A 62 1.711 1.512 4.954 1.00 0.00 O ATOM 954 CB MET A 62 1.925 4.617 5.484 1.00 0.00 C ATOM 955 CG MET A 62 2.405 5.798 6.329 1.00 0.00 C ATOM 956 SD MET A 62 1.147 7.100 6.315 1.00 0.00 S ATOM 957 CE MET A 62 2.004 8.232 5.193 1.00 0.00 C ATOM 0 H MET A 62 4.313 4.910 4.814 1.00 0.00 H new ATOM 0 HA MET A 62 2.957 3.100 6.607 1.00 0.00 H new ATOM 0 HB2 MET A 62 1.808 4.924 4.445 1.00 0.00 H new ATOM 0 HB3 MET A 62 0.947 4.282 5.830 1.00 0.00 H new ATOM 0 HG2 MET A 62 2.596 5.473 7.352 1.00 0.00 H new ATOM 0 HG3 MET A 62 3.346 6.182 5.935 1.00 0.00 H new ATOM 0 HE1 MET A 62 1.636 9.246 5.348 1.00 0.00 H new ATOM 0 HE2 MET A 62 3.075 8.200 5.392 1.00 0.00 H new ATOM 0 HE3 MET A 62 1.818 7.932 4.162 1.00 0.00 H new ATOM 967 N ILE A 63 3.108 2.317 3.462 1.00 0.00 N ATOM 968 CA ILE A 63 2.767 1.242 2.487 1.00 0.00 C ATOM 969 C ILE A 63 3.482 -0.048 2.896 1.00 0.00 C ATOM 970 O ILE A 63 3.084 -1.133 2.523 1.00 0.00 O ATOM 971 CB ILE A 63 3.212 1.676 1.085 1.00 0.00 C ATOM 972 CG1 ILE A 63 2.172 2.634 0.499 1.00 0.00 C ATOM 973 CG2 ILE A 63 3.344 0.455 0.173 1.00 0.00 C ATOM 974 CD1 ILE A 63 2.378 4.031 1.084 1.00 0.00 C ATOM 0 H ILE A 63 3.801 2.991 3.138 1.00 0.00 H new ATOM 0 HA ILE A 63 1.691 1.066 2.479 1.00 0.00 H new ATOM 0 HB ILE A 63 4.179 2.174 1.156 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.263 2.666 -0.587 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.167 2.278 0.725 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.660 0.775 -0.820 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.084 -0.230 0.587 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.381 -0.051 0.101 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.637 4.713 0.667 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.265 3.992 2.167 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.378 4.386 0.836 1.00 0.00 H new ATOM 986 N GLU A 64 4.531 0.059 3.663 1.00 0.00 N ATOM 987 CA GLU A 64 5.260 -1.166 4.096 1.00 0.00 C ATOM 988 C GLU A 64 4.617 -1.715 5.371 1.00 0.00 C ATOM 989 O GLU A 64 4.388 -2.901 5.501 1.00 0.00 O ATOM 990 CB GLU A 64 6.724 -0.818 4.372 1.00 0.00 C ATOM 991 CG GLU A 64 7.611 -1.475 3.313 1.00 0.00 C ATOM 992 CD GLU A 64 7.258 -0.917 1.934 1.00 0.00 C ATOM 993 OE1 GLU A 64 6.137 -1.131 1.499 1.00 0.00 O ATOM 994 OE2 GLU A 64 8.112 -0.285 1.335 1.00 0.00 O ATOM 0 H GLU A 64 4.914 0.939 4.008 1.00 0.00 H new ATOM 0 HA GLU A 64 5.208 -1.918 3.309 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.861 0.263 4.357 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.010 -1.162 5.366 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.661 -1.286 3.535 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.471 -2.556 3.326 1.00 0.00 H new ATOM 1001 N GLY A 65 4.319 -0.860 6.312 1.00 0.00 N ATOM 1002 CA GLY A 65 3.685 -1.334 7.574 1.00 0.00 C ATOM 1003 C GLY A 65 2.238 -1.736 7.288 1.00 0.00 C ATOM 1004 O GLY A 65 1.715 -2.669 7.864 1.00 0.00 O ATOM 0 H GLY A 65 4.487 0.145 6.261 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.238 -2.182 7.977 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.715 -0.547 8.328 1.00 0.00 H new ATOM 1008 N THR A 66 1.591 -1.040 6.396 1.00 0.00 N ATOM 1009 CA THR A 66 0.180 -1.378 6.062 1.00 0.00 C ATOM 1010 C THR A 66 0.166 -2.566 5.099 1.00 0.00 C ATOM 1011 O THR A 66 -0.683 -3.432 5.178 1.00 0.00 O ATOM 1012 CB THR A 66 -0.490 -0.173 5.396 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.338 0.969 6.227 1.00 0.00 O ATOM 1014 CG2 THR A 66 -1.979 -0.461 5.190 1.00 0.00 C ATOM 0 H THR A 66 1.980 -0.249 5.882 1.00 0.00 H new ATOM 0 HA THR A 66 -0.362 -1.635 6.972 1.00 0.00 H new ATOM 0 HB THR A 66 -0.022 0.014 4.429 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.468 1.461 5.963 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.454 0.398 4.716 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.095 -1.337 4.552 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.450 -0.649 6.155 1.00 0.00 H new ATOM 1022 N ALA A 67 1.107 -2.620 4.197 1.00 0.00 N ATOM 1023 CA ALA A 67 1.154 -3.756 3.238 1.00 0.00 C ATOM 1024 C ALA A 67 1.922 -4.917 3.876 1.00 0.00 C ATOM 1025 O ALA A 67 2.252 -5.889 3.227 1.00 0.00 O ATOM 1026 CB ALA A 67 1.866 -3.314 1.957 1.00 0.00 C ATOM 0 H ALA A 67 1.845 -1.925 4.084 1.00 0.00 H new ATOM 0 HA ALA A 67 0.141 -4.075 2.995 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.901 -4.146 1.254 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.324 -2.482 1.508 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.882 -2.998 2.196 1.00 0.00 H new ATOM 1032 N ARG A 68 2.209 -4.819 5.147 1.00 0.00 N ATOM 1033 CA ARG A 68 2.954 -5.910 5.832 1.00 0.00 C ATOM 1034 C ARG A 68 2.069 -6.527 6.917 1.00 0.00 C ATOM 1035 O ARG A 68 1.986 -7.731 7.054 1.00 0.00 O ATOM 1036 CB ARG A 68 4.222 -5.338 6.471 1.00 0.00 C ATOM 1037 CG ARG A 68 4.870 -6.400 7.360 1.00 0.00 C ATOM 1038 CD ARG A 68 6.393 -6.274 7.279 1.00 0.00 C ATOM 1039 NE ARG A 68 7.007 -6.896 8.486 1.00 0.00 N ATOM 1040 CZ ARG A 68 8.206 -6.543 8.862 1.00 0.00 C ATOM 1041 NH1 ARG A 68 8.966 -5.853 8.056 1.00 0.00 N ATOM 1042 NH2 ARG A 68 8.645 -6.879 10.044 1.00 0.00 N ATOM 0 H ARG A 68 1.958 -4.028 5.740 1.00 0.00 H new ATOM 0 HA ARG A 68 3.227 -6.676 5.106 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.921 -5.021 5.697 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.978 -4.455 7.061 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.539 -6.278 8.391 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.559 -7.395 7.041 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.762 -6.763 6.377 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.679 -5.224 7.212 1.00 0.00 H new ATOM 0 HE ARG A 68 6.491 -7.597 9.018 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.623 -5.590 7.132 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.903 -5.577 8.350 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.051 -7.418 10.674 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.582 -6.603 10.337 1.00 0.00 H new ATOM 1056 N SER A 69 1.406 -5.710 7.688 1.00 0.00 N ATOM 1057 CA SER A 69 0.527 -6.252 8.762 1.00 0.00 C ATOM 1058 C SER A 69 -0.728 -6.858 8.132 1.00 0.00 C ATOM 1059 O SER A 69 -1.464 -7.587 8.766 1.00 0.00 O ATOM 1060 CB SER A 69 0.128 -5.125 9.715 1.00 0.00 C ATOM 1061 OG SER A 69 0.915 -5.208 10.896 1.00 0.00 O ATOM 0 H SER A 69 1.435 -4.693 7.621 1.00 0.00 H new ATOM 0 HA SER A 69 1.063 -7.021 9.318 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.274 -4.158 9.234 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.931 -5.201 9.963 1.00 0.00 H new ATOM 0 HG SER A 69 0.663 -4.486 11.509 1.00 0.00 H new ATOM 1067 N MET A 70 -0.979 -6.564 6.884 1.00 0.00 N ATOM 1068 CA MET A 70 -2.185 -7.126 6.214 1.00 0.00 C ATOM 1069 C MET A 70 -1.890 -8.554 5.746 1.00 0.00 C ATOM 1070 O MET A 70 -2.722 -9.203 5.145 1.00 0.00 O ATOM 1071 CB MET A 70 -2.551 -6.260 5.007 1.00 0.00 C ATOM 1072 CG MET A 70 -3.585 -5.213 5.424 1.00 0.00 C ATOM 1073 SD MET A 70 -4.620 -4.785 4.003 1.00 0.00 S ATOM 1074 CE MET A 70 -3.323 -4.021 2.998 1.00 0.00 C ATOM 0 H MET A 70 -0.401 -5.959 6.301 1.00 0.00 H new ATOM 0 HA MET A 70 -3.017 -7.138 6.918 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.660 -5.770 4.614 1.00 0.00 H new ATOM 0 HB3 MET A 70 -2.951 -6.883 4.207 1.00 0.00 H new ATOM 0 HG2 MET A 70 -4.203 -5.600 6.234 1.00 0.00 H new ATOM 0 HG3 MET A 70 -3.084 -4.323 5.803 1.00 0.00 H new ATOM 0 HE1 MET A 70 -3.779 -3.448 2.190 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.724 -3.357 3.621 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.685 -4.797 2.576 1.00 0.00 H new ATOM 1084 N GLY A 71 -0.711 -9.047 6.015 1.00 0.00 N ATOM 1085 CA GLY A 71 -0.367 -10.431 5.583 1.00 0.00 C ATOM 1086 C GLY A 71 0.400 -10.381 4.260 1.00 0.00 C ATOM 1087 O GLY A 71 0.832 -11.393 3.745 1.00 0.00 O ATOM 0 H GLY A 71 0.027 -8.551 6.515 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.237 -10.921 6.347 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.275 -11.022 5.466 1.00 0.00 H new ATOM 1091 N ILE A 72 0.575 -9.213 3.706 1.00 0.00 N ATOM 1092 CA ILE A 72 1.314 -9.103 2.418 1.00 0.00 C ATOM 1093 C ILE A 72 2.756 -8.677 2.697 1.00 0.00 C ATOM 1094 O ILE A 72 3.096 -8.287 3.796 1.00 0.00 O ATOM 1095 CB ILE A 72 0.635 -8.055 1.535 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.869 -8.337 1.474 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.221 -8.116 0.124 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.597 -7.100 0.946 1.00 0.00 C ATOM 0 H ILE A 72 0.238 -8.330 4.090 1.00 0.00 H new ATOM 0 HA ILE A 72 1.311 -10.067 1.909 1.00 0.00 H new ATOM 0 HB ILE A 72 0.804 -7.063 1.955 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.064 -9.191 0.826 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.242 -8.597 2.465 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.736 -7.369 -0.504 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.292 -7.916 0.166 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.054 -9.107 -0.297 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.668 -7.299 0.902 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.412 -6.257 1.612 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.231 -6.861 -0.053 1.00 0.00 H new ATOM 1110 N VAL A 73 3.607 -8.741 1.710 1.00 0.00 N ATOM 1111 CA VAL A 73 5.023 -8.333 1.920 1.00 0.00 C ATOM 1112 C VAL A 73 5.449 -7.415 0.769 1.00 0.00 C ATOM 1113 O VAL A 73 4.677 -7.130 -0.124 1.00 0.00 O ATOM 1114 CB VAL A 73 5.917 -9.588 1.990 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.526 -9.911 0.620 1.00 0.00 C ATOM 1116 CG2 VAL A 73 7.043 -9.349 2.999 1.00 0.00 C ATOM 0 H VAL A 73 3.382 -9.058 0.767 1.00 0.00 H new ATOM 0 HA VAL A 73 5.127 -7.791 2.860 1.00 0.00 H new ATOM 0 HB VAL A 73 5.302 -10.432 2.301 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.151 -10.800 0.700 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.728 -10.092 -0.099 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.133 -9.070 0.284 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.678 -10.233 3.052 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.639 -8.493 2.683 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.615 -9.150 3.982 1.00 0.00 H new ATOM 1126 N VAL A 74 6.667 -6.953 0.776 1.00 0.00 N ATOM 1127 CA VAL A 74 7.122 -6.061 -0.325 1.00 0.00 C ATOM 1128 C VAL A 74 8.573 -6.405 -0.689 1.00 0.00 C ATOM 1129 O VAL A 74 9.417 -6.570 0.170 1.00 0.00 O ATOM 1130 CB VAL A 74 6.989 -4.591 0.121 1.00 0.00 C ATOM 1131 CG1 VAL A 74 8.324 -4.049 0.643 1.00 0.00 C ATOM 1132 CG2 VAL A 74 6.528 -3.743 -1.067 1.00 0.00 C ATOM 0 H VAL A 74 7.364 -7.153 1.493 1.00 0.00 H new ATOM 0 HA VAL A 74 6.503 -6.206 -1.211 1.00 0.00 H new ATOM 0 HB VAL A 74 6.258 -4.540 0.928 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.200 -3.011 0.950 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.649 -4.644 1.497 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.074 -4.107 -0.146 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.433 -2.703 -0.756 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.260 -3.816 -1.872 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.563 -4.106 -1.420 1.00 0.00 H new ATOM 1142 N GLU A 75 8.864 -6.525 -1.955 1.00 0.00 N ATOM 1143 CA GLU A 75 10.253 -6.868 -2.374 1.00 0.00 C ATOM 1144 C GLU A 75 10.908 -5.654 -3.033 1.00 0.00 C ATOM 1145 O GLU A 75 10.282 -4.928 -3.779 1.00 0.00 O ATOM 1146 CB GLU A 75 10.212 -8.027 -3.371 1.00 0.00 C ATOM 1147 CG GLU A 75 10.957 -9.229 -2.787 1.00 0.00 C ATOM 1148 CD GLU A 75 10.219 -10.516 -3.158 1.00 0.00 C ATOM 1149 OE1 GLU A 75 9.633 -10.552 -4.228 1.00 0.00 O ATOM 1150 OE2 GLU A 75 10.253 -11.444 -2.368 1.00 0.00 O ATOM 0 H GLU A 75 8.199 -6.400 -2.719 1.00 0.00 H new ATOM 0 HA GLU A 75 10.832 -7.159 -1.498 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.179 -8.297 -3.589 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.668 -7.726 -4.314 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.977 -9.259 -3.170 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.026 -9.136 -1.703 1.00 0.00 H new ATOM 1157 N ASP A 76 12.166 -5.429 -2.765 1.00 0.00 N ATOM 1158 CA ASP A 76 12.862 -4.263 -3.376 1.00 0.00 C ATOM 1159 C ASP A 76 12.910 -4.437 -4.896 1.00 0.00 C ATOM 1160 O ASP A 76 13.959 -4.193 -5.468 1.00 0.00 O ATOM 1161 CB ASP A 76 14.289 -4.175 -2.829 1.00 0.00 C ATOM 1162 CG ASP A 76 15.124 -5.328 -3.389 1.00 0.00 C ATOM 1163 OD1 ASP A 76 14.621 -6.440 -3.413 1.00 0.00 O ATOM 1164 OD2 ASP A 76 16.252 -5.081 -3.783 1.00 0.00 O ATOM 1165 OXT ASP A 76 11.896 -4.810 -5.462 1.00 0.00 O ATOM 0 H ASP A 76 12.741 -6.003 -2.149 1.00 0.00 H new ATOM 0 HA ASP A 76 12.322 -3.349 -3.131 1.00 0.00 H new ATOM 0 HB2 ASP A 76 14.737 -3.220 -3.105 1.00 0.00 H new ATOM 0 HB3 ASP A 76 14.275 -4.218 -1.740 1.00 0.00 H new