USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=8 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= 0.0832 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+ -154:sc= -1.19 (180deg=-2.88!) USER MOD Single : A 48 MET CE :methyl -171:sc= -1.31 (180deg=-1.49) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -112:sc= -2.68 (180deg=-7.25!) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 85:sc= 1.01 USER MOD Single : A 69 SER OG : rot 7:sc= 0.926 USER MOD Single : A 70 MET CE :methyl -160:sc= -3.01 (180deg=-4.85!) USER MOD ----------------------------------------------------------------- ATOM 123 N PRO A 8 -7.738 7.543 -1.424 1.00 0.00 N ATOM 124 CA PRO A 8 -8.046 6.343 -0.625 1.00 0.00 C ATOM 125 C PRO A 8 -7.112 6.251 0.586 1.00 0.00 C ATOM 126 O PRO A 8 -6.200 7.042 0.726 1.00 0.00 O ATOM 127 CB PRO A 8 -7.788 5.191 -1.601 1.00 0.00 C ATOM 128 CG PRO A 8 -6.823 5.739 -2.679 1.00 0.00 C ATOM 129 CD PRO A 8 -6.945 7.273 -2.641 1.00 0.00 C ATOM 0 HA PRO A 8 -9.060 6.341 -0.226 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.350 4.336 -1.086 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.719 4.848 -2.052 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.798 5.427 -2.476 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.084 5.354 -3.665 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.966 7.749 -2.592 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.441 7.655 -3.533 1.00 0.00 H new ATOM 137 N PRO A 9 -7.366 5.278 1.423 1.00 0.00 N ATOM 138 CA PRO A 9 -6.561 5.044 2.634 1.00 0.00 C ATOM 139 C PRO A 9 -5.236 4.376 2.261 1.00 0.00 C ATOM 140 O PRO A 9 -4.221 5.026 2.112 1.00 0.00 O ATOM 141 CB PRO A 9 -7.437 4.111 3.475 1.00 0.00 C ATOM 142 CG PRO A 9 -8.410 3.422 2.489 1.00 0.00 C ATOM 143 CD PRO A 9 -8.477 4.320 1.240 1.00 0.00 C ATOM 0 HA PRO A 9 -6.301 5.959 3.167 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.828 3.374 3.999 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -7.984 4.671 4.234 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.057 2.424 2.230 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.397 3.305 2.936 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.356 3.740 0.325 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.437 4.832 1.168 1.00 0.00 H new ATOM 151 N ALA A 10 -5.241 3.083 2.100 1.00 0.00 N ATOM 152 CA ALA A 10 -3.985 2.371 1.727 1.00 0.00 C ATOM 153 C ALA A 10 -4.304 0.904 1.441 1.00 0.00 C ATOM 154 O ALA A 10 -4.280 0.464 0.311 1.00 0.00 O ATOM 155 CB ALA A 10 -2.979 2.465 2.875 1.00 0.00 C ATOM 0 H ALA A 10 -6.061 2.487 2.210 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.555 2.831 0.837 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.062 1.944 2.599 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.754 3.512 3.077 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.403 2.006 3.768 1.00 0.00 H new ATOM 161 N ALA A 11 -4.608 0.141 2.454 1.00 0.00 N ATOM 162 CA ALA A 11 -4.934 -1.296 2.231 1.00 0.00 C ATOM 163 C ALA A 11 -5.866 -1.429 1.023 1.00 0.00 C ATOM 164 O ALA A 11 -5.916 -2.457 0.377 1.00 0.00 O ATOM 165 CB ALA A 11 -5.628 -1.859 3.473 1.00 0.00 C ATOM 0 H ALA A 11 -4.645 0.450 3.426 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.015 -1.851 2.043 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.867 -2.910 3.311 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.966 -1.766 4.334 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.546 -1.303 3.660 1.00 0.00 H new ATOM 171 N VAL A 12 -6.610 -0.400 0.717 1.00 0.00 N ATOM 172 CA VAL A 12 -7.543 -0.470 -0.443 1.00 0.00 C ATOM 173 C VAL A 12 -6.746 -0.571 -1.752 1.00 0.00 C ATOM 174 O VAL A 12 -7.019 -1.407 -2.590 1.00 0.00 O ATOM 175 CB VAL A 12 -8.431 0.786 -0.453 1.00 0.00 C ATOM 176 CG1 VAL A 12 -7.736 1.934 -1.194 1.00 0.00 C ATOM 177 CG2 VAL A 12 -9.755 0.464 -1.147 1.00 0.00 C ATOM 0 H VAL A 12 -6.611 0.487 1.221 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.173 -1.355 -0.354 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.613 1.094 0.577 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.381 2.813 -1.190 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.795 2.171 -0.697 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.537 1.635 -2.223 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.387 1.352 -1.156 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.561 0.147 -2.172 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.262 -0.337 -0.609 1.00 0.00 H new ATOM 187 N LEU A 13 -5.771 0.279 -1.939 1.00 0.00 N ATOM 188 CA LEU A 13 -4.972 0.234 -3.198 1.00 0.00 C ATOM 189 C LEU A 13 -3.847 -0.795 -3.070 1.00 0.00 C ATOM 190 O LEU A 13 -3.704 -1.672 -3.898 1.00 0.00 O ATOM 191 CB LEU A 13 -4.369 1.612 -3.471 1.00 0.00 C ATOM 192 CG LEU A 13 -5.489 2.608 -3.771 1.00 0.00 C ATOM 193 CD1 LEU A 13 -4.881 3.963 -4.140 1.00 0.00 C ATOM 194 CD2 LEU A 13 -6.330 2.090 -4.941 1.00 0.00 C ATOM 0 H LEU A 13 -5.494 1.002 -1.275 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.626 -0.051 -4.022 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.792 1.946 -2.608 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.680 1.559 -4.314 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.121 2.722 -2.890 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.679 4.674 -4.354 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.281 4.331 -3.308 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.249 3.851 -5.021 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.129 2.799 -5.156 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.698 1.977 -5.822 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.762 1.124 -4.679 1.00 0.00 H new ATOM 206 N LEU A 14 -3.040 -0.687 -2.048 1.00 0.00 N ATOM 207 CA LEU A 14 -1.916 -1.655 -1.872 1.00 0.00 C ATOM 208 C LEU A 14 -2.384 -3.069 -2.224 1.00 0.00 C ATOM 209 O LEU A 14 -1.882 -3.687 -3.142 1.00 0.00 O ATOM 210 CB LEU A 14 -1.436 -1.626 -0.418 1.00 0.00 C ATOM 211 CG LEU A 14 -1.241 -0.178 0.039 1.00 0.00 C ATOM 212 CD1 LEU A 14 -0.409 -0.158 1.321 1.00 0.00 C ATOM 213 CD2 LEU A 14 -0.515 0.616 -1.049 1.00 0.00 C ATOM 0 H LEU A 14 -3.110 0.030 -1.326 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.097 -1.372 -2.533 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.163 -2.124 0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.499 -2.175 -0.324 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.215 0.274 0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.269 0.872 1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.927 -0.719 2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.563 -0.614 1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.379 1.646 -0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.459 0.165 -1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.107 0.604 -1.964 1.00 0.00 H new ATOM 225 N LYS A 15 -3.341 -3.587 -1.503 1.00 0.00 N ATOM 226 CA LYS A 15 -3.834 -4.961 -1.803 1.00 0.00 C ATOM 227 C LYS A 15 -4.288 -5.032 -3.262 1.00 0.00 C ATOM 228 O LYS A 15 -4.116 -6.032 -3.929 1.00 0.00 O ATOM 229 CB LYS A 15 -5.011 -5.295 -0.883 1.00 0.00 C ATOM 230 CG LYS A 15 -4.604 -5.059 0.572 1.00 0.00 C ATOM 231 CD LYS A 15 -5.738 -5.506 1.497 1.00 0.00 C ATOM 232 CE LYS A 15 -5.816 -7.034 1.510 1.00 0.00 C ATOM 233 NZ LYS A 15 -7.163 -7.467 1.042 1.00 0.00 N ATOM 0 H LYS A 15 -3.801 -3.120 -0.722 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.031 -5.679 -1.637 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.871 -4.676 -1.136 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.313 -6.333 -1.024 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.694 -5.613 0.801 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.384 -4.004 0.733 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.567 -5.132 2.506 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.685 -5.086 1.158 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.043 -7.454 0.866 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.631 -7.410 2.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.216 -8.506 1.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.892 -7.078 1.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.322 -7.120 0.075 1.00 0.00 H new ATOM 247 N LYS A 16 -4.867 -3.975 -3.762 1.00 0.00 N ATOM 248 CA LYS A 16 -5.334 -3.979 -5.177 1.00 0.00 C ATOM 249 C LYS A 16 -4.156 -4.283 -6.106 1.00 0.00 C ATOM 250 O LYS A 16 -4.305 -4.942 -7.116 1.00 0.00 O ATOM 251 CB LYS A 16 -5.914 -2.607 -5.530 1.00 0.00 C ATOM 252 CG LYS A 16 -7.440 -2.691 -5.570 1.00 0.00 C ATOM 253 CD LYS A 16 -8.014 -1.334 -5.982 1.00 0.00 C ATOM 254 CE LYS A 16 -8.520 -1.410 -7.423 1.00 0.00 C ATOM 255 NZ LYS A 16 -9.995 -1.192 -7.443 1.00 0.00 N ATOM 0 H LYS A 16 -5.037 -3.108 -3.252 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.102 -4.743 -5.299 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.599 -1.867 -4.794 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.532 -2.277 -6.496 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.754 -3.460 -6.275 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.825 -2.979 -4.592 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.828 -1.054 -5.314 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.249 -0.562 -5.894 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.022 -0.658 -8.035 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.279 -2.382 -7.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.340 -1.243 -8.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.462 -1.925 -6.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.213 -0.255 -7.048 1.00 0.00 H new ATOM 269 N ALA A 17 -2.986 -3.805 -5.776 1.00 0.00 N ATOM 270 CA ALA A 17 -1.803 -4.062 -6.644 1.00 0.00 C ATOM 271 C ALA A 17 -1.428 -5.543 -6.578 1.00 0.00 C ATOM 272 O ALA A 17 -0.952 -6.116 -7.538 1.00 0.00 O ATOM 273 CB ALA A 17 -0.625 -3.214 -6.162 1.00 0.00 C ATOM 0 H ALA A 17 -2.799 -3.248 -4.942 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.045 -3.798 -7.673 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.242 -3.401 -6.796 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.891 -2.158 -6.214 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.384 -3.477 -5.132 1.00 0.00 H new ATOM 279 N ALA A 18 -1.633 -6.168 -5.451 1.00 0.00 N ATOM 280 CA ALA A 18 -1.284 -7.612 -5.325 1.00 0.00 C ATOM 281 C ALA A 18 -2.449 -8.468 -5.829 1.00 0.00 C ATOM 282 O ALA A 18 -2.351 -9.677 -5.912 1.00 0.00 O ATOM 283 CB ALA A 18 -1.007 -7.941 -3.857 1.00 0.00 C ATOM 0 H ALA A 18 -2.027 -5.742 -4.612 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.396 -7.824 -5.921 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.752 -8.996 -3.763 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.176 -7.333 -3.498 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.895 -7.728 -3.263 1.00 0.00 H new ATOM 289 N GLY A 19 -3.551 -7.854 -6.166 1.00 0.00 N ATOM 290 CA GLY A 19 -4.717 -8.637 -6.664 1.00 0.00 C ATOM 291 C GLY A 19 -5.378 -9.367 -5.494 1.00 0.00 C ATOM 292 O GLY A 19 -5.576 -10.566 -5.529 1.00 0.00 O ATOM 0 H GLY A 19 -3.694 -6.845 -6.118 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.436 -7.973 -7.145 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.392 -9.355 -7.417 1.00 0.00 H new ATOM 485 N ALA A 33 1.736 -13.687 -2.029 1.00 0.00 N ATOM 486 CA ALA A 33 1.300 -12.294 -2.325 1.00 0.00 C ATOM 487 C ALA A 33 2.496 -11.348 -2.201 1.00 0.00 C ATOM 488 O ALA A 33 2.580 -10.554 -1.285 1.00 0.00 O ATOM 489 CB ALA A 33 0.213 -11.877 -1.330 1.00 0.00 C ATOM 0 HA ALA A 33 0.902 -12.245 -3.339 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.106 -10.858 -1.546 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.639 -12.551 -1.419 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.610 -11.925 -0.316 1.00 0.00 H new ATOM 495 N THR A 34 3.425 -11.430 -3.113 1.00 0.00 N ATOM 496 CA THR A 34 4.616 -10.539 -3.045 1.00 0.00 C ATOM 497 C THR A 34 4.368 -9.289 -3.891 1.00 0.00 C ATOM 498 O THR A 34 4.031 -9.373 -5.055 1.00 0.00 O ATOM 499 CB THR A 34 5.844 -11.281 -3.579 1.00 0.00 C ATOM 500 OG1 THR A 34 5.424 -12.344 -4.423 1.00 0.00 O ATOM 501 CG2 THR A 34 6.650 -11.845 -2.409 1.00 0.00 C ATOM 0 H THR A 34 3.410 -12.076 -3.902 1.00 0.00 H new ATOM 0 HA THR A 34 4.791 -10.248 -2.009 1.00 0.00 H new ATOM 0 HB THR A 34 6.467 -10.590 -4.147 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.209 -12.819 -4.767 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.524 -12.373 -2.790 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.973 -11.029 -1.762 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.029 -12.536 -1.839 1.00 0.00 H new ATOM 509 N ILE A 35 4.529 -8.130 -3.315 1.00 0.00 N ATOM 510 CA ILE A 35 4.301 -6.877 -4.087 1.00 0.00 C ATOM 511 C ILE A 35 5.635 -6.166 -4.316 1.00 0.00 C ATOM 512 O ILE A 35 6.245 -5.658 -3.397 1.00 0.00 O ATOM 513 CB ILE A 35 3.363 -5.959 -3.305 1.00 0.00 C ATOM 514 CG1 ILE A 35 2.017 -6.659 -3.107 1.00 0.00 C ATOM 515 CG2 ILE A 35 3.149 -4.660 -4.086 1.00 0.00 C ATOM 516 CD1 ILE A 35 1.016 -5.679 -2.495 1.00 0.00 C ATOM 0 H ILE A 35 4.809 -7.997 -2.343 1.00 0.00 H new ATOM 0 HA ILE A 35 3.851 -7.122 -5.049 1.00 0.00 H new ATOM 0 HB ILE A 35 3.804 -5.731 -2.335 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.643 -7.028 -4.062 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.138 -7.525 -2.456 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.480 -4.006 -3.527 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.107 -4.161 -4.231 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.708 -4.887 -5.056 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.057 -6.178 -2.354 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.389 -5.332 -1.531 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.887 -4.827 -3.162 1.00 0.00 H new ATOM 528 N LYS A 36 6.092 -6.124 -5.538 1.00 0.00 N ATOM 529 CA LYS A 36 7.384 -5.443 -5.825 1.00 0.00 C ATOM 530 C LYS A 36 7.368 -4.040 -5.217 1.00 0.00 C ATOM 531 O LYS A 36 6.322 -3.485 -4.943 1.00 0.00 O ATOM 532 CB LYS A 36 7.577 -5.336 -7.339 1.00 0.00 C ATOM 533 CG LYS A 36 8.152 -6.646 -7.879 1.00 0.00 C ATOM 534 CD LYS A 36 8.867 -6.378 -9.205 1.00 0.00 C ATOM 535 CE LYS A 36 8.876 -7.654 -10.048 1.00 0.00 C ATOM 536 NZ LYS A 36 7.886 -7.524 -11.154 1.00 0.00 N ATOM 0 H LYS A 36 5.626 -6.532 -6.349 1.00 0.00 H new ATOM 0 HA LYS A 36 8.202 -6.019 -5.391 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.624 -5.119 -7.822 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.248 -4.509 -7.572 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.848 -7.075 -7.158 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.354 -7.374 -8.024 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.364 -5.576 -9.746 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.888 -6.045 -9.019 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.872 -7.827 -10.455 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.632 -8.515 -9.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.891 -8.391 -11.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.937 -7.379 -10.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.138 -6.711 -11.752 1.00 0.00 H new ATOM 550 N ARG A 37 8.517 -3.461 -5.009 1.00 0.00 N ATOM 551 CA ARG A 37 8.567 -2.093 -4.426 1.00 0.00 C ATOM 552 C ARG A 37 8.278 -1.074 -5.526 1.00 0.00 C ATOM 553 O ARG A 37 7.738 -0.014 -5.282 1.00 0.00 O ATOM 554 CB ARG A 37 9.961 -1.837 -3.854 1.00 0.00 C ATOM 555 CG ARG A 37 9.838 -1.087 -2.528 1.00 0.00 C ATOM 556 CD ARG A 37 9.201 -2.004 -1.482 1.00 0.00 C ATOM 557 NE ARG A 37 10.188 -2.278 -0.401 1.00 0.00 N ATOM 558 CZ ARG A 37 10.683 -1.290 0.293 1.00 0.00 C ATOM 559 NH1 ARG A 37 10.011 -0.799 1.297 1.00 0.00 N ATOM 560 NH2 ARG A 37 11.849 -0.794 -0.018 1.00 0.00 N ATOM 0 H ARG A 37 9.425 -3.877 -5.218 1.00 0.00 H new ATOM 0 HA ARG A 37 7.826 -2.002 -3.632 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.483 -2.782 -3.702 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.554 -1.255 -4.560 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.821 -0.760 -2.190 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.232 -0.191 -2.659 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.309 -1.535 -1.066 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.883 -2.938 -1.946 1.00 0.00 H new ATOM 0 HE ARG A 37 10.477 -3.236 -0.203 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.099 -1.187 1.539 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.397 -0.027 1.840 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.374 -1.179 -0.804 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.236 -0.022 0.525 1.00 0.00 H new ATOM 574 N ASP A 38 8.641 -1.392 -6.735 1.00 0.00 N ATOM 575 CA ASP A 38 8.395 -0.451 -7.860 1.00 0.00 C ATOM 576 C ASP A 38 6.891 -0.214 -8.015 1.00 0.00 C ATOM 577 O ASP A 38 6.463 0.800 -8.532 1.00 0.00 O ATOM 578 CB ASP A 38 8.952 -1.048 -9.155 1.00 0.00 C ATOM 579 CG ASP A 38 10.228 -0.304 -9.555 1.00 0.00 C ATOM 580 OD1 ASP A 38 10.113 0.807 -10.045 1.00 0.00 O ATOM 581 OD2 ASP A 38 11.297 -0.859 -9.363 1.00 0.00 O ATOM 0 H ASP A 38 9.099 -2.266 -6.993 1.00 0.00 H new ATOM 0 HA ASP A 38 8.890 0.497 -7.652 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.165 -2.108 -9.017 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.211 -0.973 -9.950 1.00 0.00 H new ATOM 586 N LYS A 39 6.085 -1.142 -7.578 1.00 0.00 N ATOM 587 CA LYS A 39 4.610 -0.967 -7.709 1.00 0.00 C ATOM 588 C LYS A 39 4.033 -0.397 -6.411 1.00 0.00 C ATOM 589 O LYS A 39 3.452 0.671 -6.396 1.00 0.00 O ATOM 590 CB LYS A 39 3.960 -2.320 -8.004 1.00 0.00 C ATOM 591 CG LYS A 39 2.748 -2.113 -8.914 1.00 0.00 C ATOM 592 CD LYS A 39 3.094 -2.563 -10.335 1.00 0.00 C ATOM 593 CE LYS A 39 1.998 -3.495 -10.855 1.00 0.00 C ATOM 594 NZ LYS A 39 2.452 -4.135 -12.122 1.00 0.00 N ATOM 0 H LYS A 39 6.382 -2.012 -7.137 1.00 0.00 H new ATOM 0 HA LYS A 39 4.404 -0.275 -8.526 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.679 -2.985 -8.483 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.653 -2.799 -7.074 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.897 -2.681 -8.538 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.455 -1.063 -8.915 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.190 -1.696 -10.989 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.056 -3.076 -10.342 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.771 -4.258 -10.110 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.080 -2.934 -11.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.708 -4.769 -12.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.648 -3.400 -12.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.318 -4.683 -11.943 1.00 0.00 H new ATOM 608 N VAL A 40 4.181 -1.100 -5.320 1.00 0.00 N ATOM 609 CA VAL A 40 3.633 -0.589 -4.032 1.00 0.00 C ATOM 610 C VAL A 40 4.014 0.887 -3.876 1.00 0.00 C ATOM 611 O VAL A 40 3.239 1.695 -3.402 1.00 0.00 O ATOM 612 CB VAL A 40 4.191 -1.433 -2.868 1.00 0.00 C ATOM 613 CG1 VAL A 40 5.371 -0.727 -2.186 1.00 0.00 C ATOM 614 CG2 VAL A 40 3.080 -1.666 -1.842 1.00 0.00 C ATOM 0 H VAL A 40 4.655 -2.001 -5.266 1.00 0.00 H new ATOM 0 HA VAL A 40 2.546 -0.670 -4.023 1.00 0.00 H new ATOM 0 HB VAL A 40 4.546 -2.383 -3.268 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.743 -1.346 -1.370 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.168 -0.567 -2.912 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.041 0.234 -1.791 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.467 -2.262 -1.016 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.727 -0.707 -1.463 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.253 -2.195 -2.315 1.00 0.00 H new ATOM 624 N ARG A 41 5.204 1.242 -4.274 1.00 0.00 N ATOM 625 CA ARG A 41 5.643 2.660 -4.156 1.00 0.00 C ATOM 626 C ARG A 41 4.802 3.528 -5.096 1.00 0.00 C ATOM 627 O ARG A 41 4.378 4.610 -4.744 1.00 0.00 O ATOM 628 CB ARG A 41 7.122 2.765 -4.534 1.00 0.00 C ATOM 629 CG ARG A 41 7.497 4.230 -4.760 1.00 0.00 C ATOM 630 CD ARG A 41 8.999 4.335 -5.036 1.00 0.00 C ATOM 631 NE ARG A 41 9.238 4.279 -6.506 1.00 0.00 N ATOM 632 CZ ARG A 41 10.418 3.964 -6.963 1.00 0.00 C ATOM 633 NH1 ARG A 41 11.400 4.821 -6.881 1.00 0.00 N ATOM 634 NH2 ARG A 41 10.619 2.794 -7.504 1.00 0.00 N ATOM 0 H ARG A 41 5.894 0.608 -4.677 1.00 0.00 H new ATOM 0 HA ARG A 41 5.509 3.005 -3.131 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.740 2.340 -3.743 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.318 2.187 -5.437 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.933 4.636 -5.600 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.235 4.823 -3.884 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.390 5.267 -4.628 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.529 3.522 -4.539 1.00 0.00 H new ATOM 0 HE ARG A 41 8.479 4.487 -7.155 1.00 0.00 H new ATOM 0 HH11 ARG A 41 11.244 5.737 -6.459 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.323 4.575 -7.238 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.853 2.124 -7.570 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.543 2.549 -7.861 1.00 0.00 H new ATOM 648 N GLU A 42 4.553 3.059 -6.289 1.00 0.00 N ATOM 649 CA GLU A 42 3.734 3.854 -7.246 1.00 0.00 C ATOM 650 C GLU A 42 2.450 4.311 -6.551 1.00 0.00 C ATOM 651 O GLU A 42 2.108 5.477 -6.556 1.00 0.00 O ATOM 652 CB GLU A 42 3.378 2.987 -8.458 1.00 0.00 C ATOM 653 CG GLU A 42 3.817 3.695 -9.741 1.00 0.00 C ATOM 654 CD GLU A 42 2.581 4.156 -10.515 1.00 0.00 C ATOM 655 OE1 GLU A 42 1.695 3.343 -10.717 1.00 0.00 O ATOM 656 OE2 GLU A 42 2.542 5.315 -10.893 1.00 0.00 O ATOM 0 H GLU A 42 4.882 2.160 -6.641 1.00 0.00 H new ATOM 0 HA GLU A 42 4.301 4.724 -7.578 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.868 2.016 -8.380 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.304 2.801 -8.482 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.448 4.550 -9.500 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.414 3.021 -10.355 1.00 0.00 H new ATOM 663 N ILE A 43 1.738 3.399 -5.947 1.00 0.00 N ATOM 664 CA ILE A 43 0.480 3.785 -5.247 1.00 0.00 C ATOM 665 C ILE A 43 0.805 4.828 -4.177 1.00 0.00 C ATOM 666 O ILE A 43 0.245 5.907 -4.158 1.00 0.00 O ATOM 667 CB ILE A 43 -0.142 2.551 -4.590 1.00 0.00 C ATOM 668 CG1 ILE A 43 -0.601 1.575 -5.677 1.00 0.00 C ATOM 669 CG2 ILE A 43 -1.345 2.974 -3.745 1.00 0.00 C ATOM 670 CD1 ILE A 43 -0.974 0.235 -5.038 1.00 0.00 C ATOM 0 H ILE A 43 1.972 2.407 -5.908 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.227 4.202 -5.964 1.00 0.00 H new ATOM 0 HB ILE A 43 0.597 2.066 -3.952 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.458 1.986 -6.211 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.193 1.432 -6.410 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.788 2.095 -3.277 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.020 3.671 -2.973 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.085 3.458 -4.382 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.301 -0.459 -5.812 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.106 -0.177 -4.524 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.782 0.386 -4.322 1.00 0.00 H new ATOM 682 N ALA A 44 1.713 4.517 -3.291 1.00 0.00 N ATOM 683 CA ALA A 44 2.081 5.492 -2.224 1.00 0.00 C ATOM 684 C ALA A 44 2.438 6.834 -2.866 1.00 0.00 C ATOM 685 O ALA A 44 2.418 7.864 -2.224 1.00 0.00 O ATOM 686 CB ALA A 44 3.288 4.964 -1.444 1.00 0.00 C ATOM 0 H ALA A 44 2.216 3.630 -3.260 1.00 0.00 H new ATOM 0 HA ALA A 44 1.239 5.624 -1.544 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.557 5.676 -0.664 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.036 4.006 -0.989 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.131 4.833 -2.123 1.00 0.00 H new ATOM 692 N GLU A 45 2.767 6.828 -4.128 1.00 0.00 N ATOM 693 CA GLU A 45 3.127 8.101 -4.811 1.00 0.00 C ATOM 694 C GLU A 45 1.858 8.906 -5.094 1.00 0.00 C ATOM 695 O GLU A 45 1.806 10.100 -4.871 1.00 0.00 O ATOM 696 CB GLU A 45 3.835 7.788 -6.129 1.00 0.00 C ATOM 697 CG GLU A 45 4.364 9.084 -6.743 1.00 0.00 C ATOM 698 CD GLU A 45 4.769 8.833 -8.196 1.00 0.00 C ATOM 699 OE1 GLU A 45 5.328 7.781 -8.460 1.00 0.00 O ATOM 700 OE2 GLU A 45 4.514 9.695 -9.020 1.00 0.00 O ATOM 0 H GLU A 45 2.802 5.995 -4.716 1.00 0.00 H new ATOM 0 HA GLU A 45 3.790 8.682 -4.170 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.657 7.093 -5.957 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.145 7.301 -6.818 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.599 9.859 -6.696 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.220 9.446 -6.173 1.00 0.00 H new ATOM 707 N LEU A 46 0.834 8.266 -5.588 1.00 0.00 N ATOM 708 CA LEU A 46 -0.427 9.003 -5.889 1.00 0.00 C ATOM 709 C LEU A 46 -1.059 9.500 -4.584 1.00 0.00 C ATOM 710 O LEU A 46 -1.808 10.457 -4.573 1.00 0.00 O ATOM 711 CB LEU A 46 -1.399 8.074 -6.619 1.00 0.00 C ATOM 712 CG LEU A 46 -2.031 7.101 -5.624 1.00 0.00 C ATOM 713 CD1 LEU A 46 -3.479 7.515 -5.361 1.00 0.00 C ATOM 714 CD2 LEU A 46 -1.999 5.689 -6.209 1.00 0.00 C ATOM 0 H LEU A 46 0.815 7.268 -5.796 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.204 9.860 -6.524 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.175 8.659 -7.112 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.873 7.522 -7.398 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.474 7.119 -4.687 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.932 6.823 -4.652 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.500 8.523 -4.948 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.039 7.495 -6.296 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.449 4.992 -5.502 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.559 5.670 -7.144 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.966 5.397 -6.399 1.00 0.00 H new ATOM 726 N LYS A 47 -0.765 8.861 -3.483 1.00 0.00 N ATOM 727 CA LYS A 47 -1.353 9.305 -2.183 1.00 0.00 C ATOM 728 C LYS A 47 -0.330 10.153 -1.426 1.00 0.00 C ATOM 729 O LYS A 47 -0.661 10.853 -0.490 1.00 0.00 O ATOM 730 CB LYS A 47 -1.724 8.088 -1.324 1.00 0.00 C ATOM 731 CG LYS A 47 -1.851 6.839 -2.201 1.00 0.00 C ATOM 732 CD LYS A 47 -2.556 5.732 -1.415 1.00 0.00 C ATOM 733 CE LYS A 47 -1.672 5.296 -0.244 1.00 0.00 C ATOM 734 NZ LYS A 47 -1.253 3.879 -0.439 1.00 0.00 N ATOM 0 H LYS A 47 -0.145 8.053 -3.426 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.250 9.890 -2.385 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.964 7.928 -0.559 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.664 8.274 -0.805 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.414 7.072 -3.105 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.864 6.502 -2.518 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.517 6.089 -1.046 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.760 4.882 -2.066 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.795 5.940 -0.177 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.216 5.400 0.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.052 3.446 0.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.017 3.353 -0.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.397 3.848 -1.029 1.00 0.00 H new ATOM 748 N MET A 48 0.913 10.086 -1.815 1.00 0.00 N ATOM 749 CA MET A 48 1.958 10.878 -1.109 1.00 0.00 C ATOM 750 C MET A 48 1.444 12.298 -0.841 1.00 0.00 C ATOM 751 O MET A 48 1.460 12.753 0.285 1.00 0.00 O ATOM 752 CB MET A 48 3.223 10.942 -1.967 1.00 0.00 C ATOM 753 CG MET A 48 4.422 10.473 -1.143 1.00 0.00 C ATOM 754 SD MET A 48 5.902 11.372 -1.667 1.00 0.00 S ATOM 755 CE MET A 48 5.520 12.939 -0.849 1.00 0.00 C ATOM 0 H MET A 48 1.250 9.517 -2.591 1.00 0.00 H new ATOM 0 HA MET A 48 2.190 10.397 -0.159 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.108 10.315 -2.851 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.386 11.961 -2.318 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.237 10.643 -0.082 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.569 9.401 -1.273 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.230 13.700 -1.171 1.00 0.00 H new ATOM 0 HE2 MET A 48 4.509 13.250 -1.113 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.590 12.812 0.231 1.00 0.00 H new ATOM 765 N PRO A 49 1.005 12.956 -1.885 1.00 0.00 N ATOM 766 CA PRO A 49 0.483 14.332 -1.791 1.00 0.00 C ATOM 767 C PRO A 49 -0.968 14.331 -1.292 1.00 0.00 C ATOM 768 O PRO A 49 -1.792 15.082 -1.773 1.00 0.00 O ATOM 769 CB PRO A 49 0.549 14.837 -3.235 1.00 0.00 C ATOM 770 CG PRO A 49 0.548 13.580 -4.138 1.00 0.00 C ATOM 771 CD PRO A 49 0.994 12.399 -3.254 1.00 0.00 C ATOM 0 HA PRO A 49 1.045 14.951 -1.092 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.303 15.478 -3.461 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.448 15.431 -3.398 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.445 13.401 -4.551 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.226 13.709 -4.982 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.306 11.558 -3.336 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.979 12.034 -3.544 1.00 0.00 H new ATOM 779 N ASP A 50 -1.293 13.501 -0.337 1.00 0.00 N ATOM 780 CA ASP A 50 -2.695 13.477 0.166 1.00 0.00 C ATOM 781 C ASP A 50 -2.729 13.002 1.622 1.00 0.00 C ATOM 782 O ASP A 50 -3.526 13.468 2.412 1.00 0.00 O ATOM 783 CB ASP A 50 -3.529 12.528 -0.698 1.00 0.00 C ATOM 784 CG ASP A 50 -3.824 13.192 -2.045 1.00 0.00 C ATOM 785 OD1 ASP A 50 -2.913 13.275 -2.853 1.00 0.00 O ATOM 786 OD2 ASP A 50 -4.954 13.606 -2.245 1.00 0.00 O ATOM 0 H ASP A 50 -0.654 12.845 0.112 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.107 14.485 0.113 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.992 11.592 -0.852 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.461 12.281 -0.190 1.00 0.00 H new ATOM 791 N LEU A 51 -1.880 12.080 1.990 1.00 0.00 N ATOM 792 CA LEU A 51 -1.891 11.594 3.401 1.00 0.00 C ATOM 793 C LEU A 51 -0.857 12.375 4.214 1.00 0.00 C ATOM 794 O LEU A 51 -0.171 11.828 5.055 1.00 0.00 O ATOM 795 CB LEU A 51 -1.562 10.091 3.475 1.00 0.00 C ATOM 796 CG LEU A 51 -1.345 9.503 2.075 1.00 0.00 C ATOM 797 CD1 LEU A 51 0.118 9.689 1.668 1.00 0.00 C ATOM 798 CD2 LEU A 51 -1.679 8.010 2.095 1.00 0.00 C ATOM 0 H LEU A 51 -1.186 11.646 1.382 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.890 11.749 3.809 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.667 9.941 4.078 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.375 9.562 3.973 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.991 10.013 1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.275 9.272 0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.361 10.752 1.658 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.762 9.176 2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.526 7.590 1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.030 7.502 2.808 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.719 7.874 2.390 1.00 0.00 H new ATOM 810 N ASN A 52 -0.744 13.653 3.974 1.00 0.00 N ATOM 811 CA ASN A 52 0.241 14.470 4.735 1.00 0.00 C ATOM 812 C ASN A 52 1.609 13.783 4.711 1.00 0.00 C ATOM 813 O ASN A 52 2.185 13.490 5.740 1.00 0.00 O ATOM 814 CB ASN A 52 -0.228 14.617 6.185 1.00 0.00 C ATOM 815 CG ASN A 52 -0.903 15.978 6.370 1.00 0.00 C ATOM 816 OD1 ASN A 52 -2.019 16.180 5.936 1.00 0.00 O ATOM 817 ND2 ASN A 52 -0.268 16.926 7.003 1.00 0.00 N ATOM 0 H ASN A 52 -1.292 14.166 3.283 1.00 0.00 H new ATOM 0 HA ASN A 52 0.322 15.455 4.276 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.925 13.817 6.435 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.620 14.525 6.863 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -0.709 17.836 7.133 1.00 0.00 H new ATOM 0 HD22 ASN A 52 0.669 16.757 7.368 1.00 0.00 H new ATOM 824 N ALA A 53 2.133 13.525 3.545 1.00 0.00 N ATOM 825 CA ALA A 53 3.464 12.860 3.457 1.00 0.00 C ATOM 826 C ALA A 53 4.475 13.829 2.841 1.00 0.00 C ATOM 827 O ALA A 53 4.234 14.417 1.806 1.00 0.00 O ATOM 828 CB ALA A 53 3.354 11.610 2.581 1.00 0.00 C ATOM 0 H ALA A 53 1.698 13.746 2.649 1.00 0.00 H new ATOM 0 HA ALA A 53 3.795 12.574 4.455 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.327 11.124 2.517 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.632 10.921 3.020 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.024 11.894 1.582 1.00 0.00 H new ATOM 834 N ALA A 54 5.606 14.001 3.470 1.00 0.00 N ATOM 835 CA ALA A 54 6.629 14.935 2.917 1.00 0.00 C ATOM 836 C ALA A 54 7.305 14.294 1.703 1.00 0.00 C ATOM 837 O ALA A 54 7.269 14.824 0.610 1.00 0.00 O ATOM 838 CB ALA A 54 7.680 15.233 3.989 1.00 0.00 C ATOM 0 H ALA A 54 5.866 13.537 4.340 1.00 0.00 H new ATOM 0 HA ALA A 54 6.146 15.864 2.614 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.428 15.916 3.585 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.199 15.692 4.853 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.163 14.304 4.293 1.00 0.00 H new ATOM 844 N SER A 55 7.920 13.157 1.883 1.00 0.00 N ATOM 845 CA SER A 55 8.595 12.486 0.737 1.00 0.00 C ATOM 846 C SER A 55 8.156 11.021 0.672 1.00 0.00 C ATOM 847 O SER A 55 7.287 10.591 1.403 1.00 0.00 O ATOM 848 CB SER A 55 10.111 12.554 0.926 1.00 0.00 C ATOM 849 OG SER A 55 10.416 12.468 2.310 1.00 0.00 O ATOM 0 H SER A 55 7.984 12.664 2.774 1.00 0.00 H new ATOM 0 HA SER A 55 8.321 12.990 -0.190 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.593 11.740 0.384 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.499 13.485 0.514 1.00 0.00 H new ATOM 0 HG SER A 55 11.387 12.510 2.434 1.00 0.00 H new ATOM 855 N ILE A 56 8.752 10.252 -0.197 1.00 0.00 N ATOM 856 CA ILE A 56 8.369 8.815 -0.307 1.00 0.00 C ATOM 857 C ILE A 56 8.745 8.090 0.986 1.00 0.00 C ATOM 858 O ILE A 56 7.971 7.329 1.530 1.00 0.00 O ATOM 859 CB ILE A 56 9.113 8.177 -1.478 1.00 0.00 C ATOM 860 CG1 ILE A 56 8.904 9.023 -2.736 1.00 0.00 C ATOM 861 CG2 ILE A 56 8.575 6.764 -1.717 1.00 0.00 C ATOM 862 CD1 ILE A 56 7.428 8.990 -3.133 1.00 0.00 C ATOM 0 H ILE A 56 9.487 10.556 -0.836 1.00 0.00 H new ATOM 0 HA ILE A 56 7.294 8.737 -0.472 1.00 0.00 H new ATOM 0 HB ILE A 56 10.177 8.125 -1.247 1.00 0.00 H new ATOM 0 HG12 ILE A 56 9.219 10.050 -2.553 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.519 8.641 -3.551 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.106 6.309 -2.553 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.724 6.161 -0.821 1.00 0.00 H new ATOM 0 HG23 ILE A 56 7.511 6.814 -1.948 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.279 9.592 -4.029 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.128 7.961 -3.333 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.824 9.393 -2.320 1.00 0.00 H new ATOM 874 N GLU A 57 9.929 8.321 1.484 1.00 0.00 N ATOM 875 CA GLU A 57 10.347 7.644 2.743 1.00 0.00 C ATOM 876 C GLU A 57 9.203 7.724 3.754 1.00 0.00 C ATOM 877 O GLU A 57 9.060 6.878 4.614 1.00 0.00 O ATOM 878 CB GLU A 57 11.584 8.343 3.311 1.00 0.00 C ATOM 879 CG GLU A 57 12.785 8.069 2.402 1.00 0.00 C ATOM 880 CD GLU A 57 13.924 7.464 3.225 1.00 0.00 C ATOM 881 OE1 GLU A 57 13.802 6.313 3.612 1.00 0.00 O ATOM 882 OE2 GLU A 57 14.897 8.161 3.456 1.00 0.00 O ATOM 0 H GLU A 57 10.622 8.947 1.075 1.00 0.00 H new ATOM 0 HA GLU A 57 10.586 6.600 2.540 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.407 9.416 3.385 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.788 7.983 4.320 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.500 7.387 1.601 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.115 8.994 1.930 1.00 0.00 H new ATOM 889 N ALA A 58 8.384 8.736 3.652 1.00 0.00 N ATOM 890 CA ALA A 58 7.245 8.870 4.601 1.00 0.00 C ATOM 891 C ALA A 58 6.028 8.135 4.035 1.00 0.00 C ATOM 892 O ALA A 58 5.256 7.542 4.761 1.00 0.00 O ATOM 893 CB ALA A 58 6.907 10.351 4.786 1.00 0.00 C ATOM 0 H ALA A 58 8.456 9.475 2.952 1.00 0.00 H new ATOM 0 HA ALA A 58 7.518 8.438 5.564 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.073 10.450 5.481 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.775 10.875 5.185 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.631 10.784 3.824 1.00 0.00 H new ATOM 899 N ALA A 59 5.855 8.168 2.741 1.00 0.00 N ATOM 900 CA ALA A 59 4.690 7.468 2.128 1.00 0.00 C ATOM 901 C ALA A 59 4.973 5.965 2.065 1.00 0.00 C ATOM 902 O ALA A 59 4.350 5.177 2.748 1.00 0.00 O ATOM 903 CB ALA A 59 4.461 8.003 0.713 1.00 0.00 C ATOM 0 H ALA A 59 6.469 8.648 2.083 1.00 0.00 H new ATOM 0 HA ALA A 59 3.800 7.645 2.732 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.609 7.492 0.264 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.260 9.073 0.757 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.351 7.826 0.109 1.00 0.00 H new ATOM 909 N MET A 60 5.909 5.564 1.250 1.00 0.00 N ATOM 910 CA MET A 60 6.233 4.113 1.144 1.00 0.00 C ATOM 911 C MET A 60 6.287 3.497 2.543 1.00 0.00 C ATOM 912 O MET A 60 6.020 2.325 2.724 1.00 0.00 O ATOM 913 CB MET A 60 7.588 3.944 0.459 1.00 0.00 C ATOM 914 CG MET A 60 7.420 3.103 -0.807 1.00 0.00 C ATOM 915 SD MET A 60 8.736 1.864 -0.889 1.00 0.00 S ATOM 916 CE MET A 60 9.737 2.684 -2.153 1.00 0.00 C ATOM 0 H MET A 60 6.463 6.178 0.653 1.00 0.00 H new ATOM 0 HA MET A 60 5.464 3.611 0.558 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.004 4.920 0.207 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.292 3.462 1.137 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.446 2.614 -0.805 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.454 3.743 -1.689 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.715 2.098 -3.072 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.335 3.678 -2.347 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.766 2.771 -1.803 1.00 0.00 H new ATOM 926 N ARG A 61 6.633 4.272 3.533 1.00 0.00 N ATOM 927 CA ARG A 61 6.703 3.723 4.916 1.00 0.00 C ATOM 928 C ARG A 61 5.334 3.171 5.314 1.00 0.00 C ATOM 929 O ARG A 61 5.210 2.046 5.754 1.00 0.00 O ATOM 930 CB ARG A 61 7.113 4.830 5.890 1.00 0.00 C ATOM 931 CG ARG A 61 8.533 4.565 6.395 1.00 0.00 C ATOM 932 CD ARG A 61 8.518 4.419 7.918 1.00 0.00 C ATOM 933 NE ARG A 61 9.754 5.028 8.487 1.00 0.00 N ATOM 934 CZ ARG A 61 10.578 4.297 9.187 1.00 0.00 C ATOM 935 NH1 ARG A 61 11.078 3.205 8.676 1.00 0.00 N ATOM 936 NH2 ARG A 61 10.905 4.659 10.398 1.00 0.00 N ATOM 0 H ARG A 61 6.870 5.260 3.445 1.00 0.00 H new ATOM 0 HA ARG A 61 7.442 2.922 4.951 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.067 5.800 5.395 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.418 4.867 6.729 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.929 3.659 5.937 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.192 5.384 6.105 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.635 4.907 8.332 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.459 3.366 8.193 1.00 0.00 H new ATOM 0 HE ARG A 61 9.956 6.015 8.329 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.825 2.923 7.729 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.722 2.634 9.224 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.516 5.513 10.797 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.549 4.087 10.945 1.00 0.00 H new ATOM 950 N MET A 62 4.306 3.957 5.165 1.00 0.00 N ATOM 951 CA MET A 62 2.943 3.485 5.537 1.00 0.00 C ATOM 952 C MET A 62 2.515 2.344 4.609 1.00 0.00 C ATOM 953 O MET A 62 1.715 1.505 4.972 1.00 0.00 O ATOM 954 CB MET A 62 1.951 4.643 5.413 1.00 0.00 C ATOM 955 CG MET A 62 2.377 5.782 6.341 1.00 0.00 C ATOM 956 SD MET A 62 1.112 7.077 6.328 1.00 0.00 S ATOM 957 CE MET A 62 2.193 8.444 5.843 1.00 0.00 C ATOM 0 H MET A 62 4.350 4.909 4.801 1.00 0.00 H new ATOM 0 HA MET A 62 2.957 3.124 6.565 1.00 0.00 H new ATOM 0 HB2 MET A 62 1.913 4.995 4.382 1.00 0.00 H new ATOM 0 HB3 MET A 62 0.947 4.305 5.671 1.00 0.00 H new ATOM 0 HG2 MET A 62 2.517 5.406 7.355 1.00 0.00 H new ATOM 0 HG3 MET A 62 3.334 6.191 6.017 1.00 0.00 H new ATOM 0 HE1 MET A 62 1.609 9.362 5.773 1.00 0.00 H new ATOM 0 HE2 MET A 62 2.978 8.569 6.589 1.00 0.00 H new ATOM 0 HE3 MET A 62 2.644 8.226 4.875 1.00 0.00 H new ATOM 967 N ILE A 63 3.037 2.302 3.412 1.00 0.00 N ATOM 968 CA ILE A 63 2.647 1.212 2.472 1.00 0.00 C ATOM 969 C ILE A 63 3.382 -0.078 2.847 1.00 0.00 C ATOM 970 O ILE A 63 2.936 -1.164 2.539 1.00 0.00 O ATOM 971 CB ILE A 63 3.006 1.615 1.039 1.00 0.00 C ATOM 972 CG1 ILE A 63 2.004 2.661 0.545 1.00 0.00 C ATOM 973 CG2 ILE A 63 2.947 0.390 0.124 1.00 0.00 C ATOM 974 CD1 ILE A 63 2.253 3.986 1.266 1.00 0.00 C ATOM 0 H ILE A 63 3.713 2.972 3.046 1.00 0.00 H new ATOM 0 HA ILE A 63 1.572 1.045 2.539 1.00 0.00 H new ATOM 0 HB ILE A 63 4.014 2.028 1.023 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.105 2.796 -0.532 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.985 2.320 0.730 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.203 0.684 -0.894 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.655 -0.360 0.475 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.940 -0.027 0.139 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.540 4.731 0.914 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.130 3.845 2.340 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.267 4.328 1.059 1.00 0.00 H new ATOM 986 N GLU A 64 4.501 0.027 3.507 1.00 0.00 N ATOM 987 CA GLU A 64 5.246 -1.204 3.893 1.00 0.00 C ATOM 988 C GLU A 64 4.675 -1.758 5.201 1.00 0.00 C ATOM 989 O GLU A 64 4.377 -2.930 5.312 1.00 0.00 O ATOM 990 CB GLU A 64 6.727 -0.873 4.080 1.00 0.00 C ATOM 991 CG GLU A 64 7.560 -2.134 3.849 1.00 0.00 C ATOM 992 CD GLU A 64 8.709 -2.183 4.858 1.00 0.00 C ATOM 993 OE1 GLU A 64 8.896 -1.203 5.559 1.00 0.00 O ATOM 994 OE2 GLU A 64 9.382 -3.200 4.911 1.00 0.00 O ATOM 0 H GLU A 64 4.930 0.906 3.795 1.00 0.00 H new ATOM 0 HA GLU A 64 5.141 -1.951 3.106 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.028 -0.092 3.382 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.901 -0.487 5.084 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.933 -3.020 3.953 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.955 -2.140 2.833 1.00 0.00 H new ATOM 1001 N GLY A 65 4.519 -0.923 6.192 1.00 0.00 N ATOM 1002 CA GLY A 65 3.966 -1.404 7.490 1.00 0.00 C ATOM 1003 C GLY A 65 2.474 -1.703 7.332 1.00 0.00 C ATOM 1004 O GLY A 65 1.912 -2.506 8.050 1.00 0.00 O ATOM 0 H GLY A 65 4.750 0.070 6.159 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.495 -2.301 7.812 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.116 -0.650 8.263 1.00 0.00 H new ATOM 1008 N THR A 66 1.825 -1.064 6.396 1.00 0.00 N ATOM 1009 CA THR A 66 0.371 -1.314 6.195 1.00 0.00 C ATOM 1010 C THR A 66 0.182 -2.465 5.205 1.00 0.00 C ATOM 1011 O THR A 66 -0.746 -3.243 5.311 1.00 0.00 O ATOM 1012 CB THR A 66 -0.293 -0.052 5.639 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.002 1.050 6.488 1.00 0.00 O ATOM 1014 CG2 THR A 66 -1.807 -0.262 5.566 1.00 0.00 C ATOM 0 H THR A 66 2.240 -0.380 5.763 1.00 0.00 H new ATOM 0 HA THR A 66 -0.086 -1.576 7.149 1.00 0.00 H new ATOM 0 HB THR A 66 0.091 0.152 4.640 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.861 1.440 6.234 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.280 0.637 5.170 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.026 -1.106 4.912 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.195 -0.466 6.564 1.00 0.00 H new ATOM 1022 N ALA A 67 1.057 -2.581 4.242 1.00 0.00 N ATOM 1023 CA ALA A 67 0.927 -3.682 3.247 1.00 0.00 C ATOM 1024 C ALA A 67 1.591 -4.945 3.796 1.00 0.00 C ATOM 1025 O ALA A 67 1.444 -6.022 3.250 1.00 0.00 O ATOM 1026 CB ALA A 67 1.611 -3.272 1.940 1.00 0.00 C ATOM 0 H ALA A 67 1.855 -1.961 4.102 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.128 -3.879 3.058 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.516 -4.077 1.212 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.138 -2.371 1.549 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.666 -3.075 2.128 1.00 0.00 H new ATOM 1032 N ARG A 68 2.321 -4.827 4.871 1.00 0.00 N ATOM 1033 CA ARG A 68 2.995 -6.023 5.451 1.00 0.00 C ATOM 1034 C ARG A 68 2.306 -6.419 6.758 1.00 0.00 C ATOM 1035 O ARG A 68 2.407 -7.544 7.206 1.00 0.00 O ATOM 1036 CB ARG A 68 4.464 -5.700 5.727 1.00 0.00 C ATOM 1037 CG ARG A 68 5.174 -6.954 6.238 1.00 0.00 C ATOM 1038 CD ARG A 68 6.360 -6.547 7.115 1.00 0.00 C ATOM 1039 NE ARG A 68 7.481 -6.081 6.250 1.00 0.00 N ATOM 1040 CZ ARG A 68 7.944 -6.855 5.307 1.00 0.00 C ATOM 1041 NH1 ARG A 68 8.373 -8.052 5.597 1.00 0.00 N ATOM 1042 NH2 ARG A 68 7.980 -6.429 4.073 1.00 0.00 N ATOM 0 H ARG A 68 2.480 -3.953 5.373 1.00 0.00 H new ATOM 0 HA ARG A 68 2.932 -6.850 4.744 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.946 -5.341 4.817 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.539 -4.900 6.464 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.480 -7.570 6.809 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.519 -7.557 5.398 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.063 -5.755 7.802 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.683 -7.392 7.723 1.00 0.00 H new ATOM 0 HE ARG A 68 7.886 -5.156 6.395 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.347 -8.383 6.561 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.735 -8.657 4.860 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.646 -5.492 3.847 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.342 -7.033 3.335 1.00 0.00 H new ATOM 1056 N SER A 69 1.606 -5.507 7.373 1.00 0.00 N ATOM 1057 CA SER A 69 0.911 -5.838 8.648 1.00 0.00 C ATOM 1058 C SER A 69 -0.414 -6.541 8.342 1.00 0.00 C ATOM 1059 O SER A 69 -1.213 -6.790 9.222 1.00 0.00 O ATOM 1060 CB SER A 69 0.638 -4.552 9.429 1.00 0.00 C ATOM 1061 OG SER A 69 -0.334 -4.811 10.433 1.00 0.00 O ATOM 0 H SER A 69 1.485 -4.548 7.048 1.00 0.00 H new ATOM 0 HA SER A 69 1.542 -6.498 9.244 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.559 -4.186 9.883 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.283 -3.772 8.755 1.00 0.00 H new ATOM 0 HG SER A 69 -0.517 -5.773 10.471 1.00 0.00 H new ATOM 1067 N MET A 70 -0.652 -6.865 7.100 1.00 0.00 N ATOM 1068 CA MET A 70 -1.924 -7.551 6.739 1.00 0.00 C ATOM 1069 C MET A 70 -1.618 -8.962 6.228 1.00 0.00 C ATOM 1070 O MET A 70 -2.405 -9.873 6.388 1.00 0.00 O ATOM 1071 CB MET A 70 -2.640 -6.757 5.644 1.00 0.00 C ATOM 1072 CG MET A 70 -3.218 -5.471 6.242 1.00 0.00 C ATOM 1073 SD MET A 70 -4.523 -4.838 5.159 1.00 0.00 S ATOM 1074 CE MET A 70 -3.491 -4.554 3.700 1.00 0.00 C ATOM 0 H MET A 70 -0.020 -6.684 6.320 1.00 0.00 H new ATOM 0 HA MET A 70 -2.563 -7.614 7.619 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.944 -6.516 4.840 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.437 -7.358 5.206 1.00 0.00 H new ATOM 0 HG2 MET A 70 -3.619 -5.667 7.236 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.432 -4.725 6.357 1.00 0.00 H new ATOM 0 HE1 MET A 70 -3.989 -3.849 3.034 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.529 -4.145 4.009 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.333 -5.497 3.177 1.00 0.00 H new ATOM 1084 N GLY A 71 -0.479 -9.151 5.618 1.00 0.00 N ATOM 1085 CA GLY A 71 -0.128 -10.506 5.102 1.00 0.00 C ATOM 1086 C GLY A 71 0.585 -10.380 3.753 1.00 0.00 C ATOM 1087 O GLY A 71 1.133 -11.335 3.240 1.00 0.00 O ATOM 0 H GLY A 71 0.222 -8.428 5.455 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.514 -11.022 5.816 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.030 -11.108 4.992 1.00 0.00 H new ATOM 1091 N ILE A 72 0.584 -9.212 3.173 1.00 0.00 N ATOM 1092 CA ILE A 72 1.263 -9.033 1.857 1.00 0.00 C ATOM 1093 C ILE A 72 2.712 -8.603 2.086 1.00 0.00 C ATOM 1094 O ILE A 72 2.991 -7.718 2.867 1.00 0.00 O ATOM 1095 CB ILE A 72 0.533 -7.957 1.052 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.938 -8.349 0.897 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.174 -7.830 -0.332 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.793 -7.085 0.786 1.00 0.00 C ATOM 0 H ILE A 72 0.143 -8.374 3.552 1.00 0.00 H new ATOM 0 HA ILE A 72 1.246 -9.974 1.307 1.00 0.00 H new ATOM 0 HB ILE A 72 0.604 -7.003 1.574 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.069 -8.969 0.010 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.259 -8.944 1.752 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.653 -7.063 -0.905 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.222 -7.553 -0.223 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.103 -8.784 -0.855 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.841 -7.363 0.676 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.670 -6.483 1.686 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.477 -6.507 -0.083 1.00 0.00 H new ATOM 1110 N VAL A 73 3.641 -9.222 1.411 1.00 0.00 N ATOM 1111 CA VAL A 73 5.069 -8.838 1.597 1.00 0.00 C ATOM 1112 C VAL A 73 5.455 -7.804 0.533 1.00 0.00 C ATOM 1113 O VAL A 73 4.644 -7.401 -0.278 1.00 0.00 O ATOM 1114 CB VAL A 73 5.952 -10.099 1.493 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.573 -10.227 0.096 1.00 0.00 C ATOM 1116 CG2 VAL A 73 7.069 -10.020 2.536 1.00 0.00 C ATOM 0 H VAL A 73 3.475 -9.974 0.742 1.00 0.00 H new ATOM 0 HA VAL A 73 5.218 -8.393 2.581 1.00 0.00 H new ATOM 0 HB VAL A 73 5.326 -10.973 1.673 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.190 -11.125 0.053 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.781 -10.295 -0.650 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.190 -9.352 -0.109 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.696 -10.909 2.466 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.676 -9.133 2.353 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.632 -9.961 3.533 1.00 0.00 H new ATOM 1126 N VAL A 74 6.686 -7.372 0.527 1.00 0.00 N ATOM 1127 CA VAL A 74 7.115 -6.370 -0.487 1.00 0.00 C ATOM 1128 C VAL A 74 8.590 -6.614 -0.839 1.00 0.00 C ATOM 1129 O VAL A 74 9.395 -6.928 0.015 1.00 0.00 O ATOM 1130 CB VAL A 74 6.903 -4.952 0.084 1.00 0.00 C ATOM 1131 CG1 VAL A 74 8.221 -4.361 0.601 1.00 0.00 C ATOM 1132 CG2 VAL A 74 6.334 -4.044 -1.008 1.00 0.00 C ATOM 0 H VAL A 74 7.412 -7.669 1.179 1.00 0.00 H new ATOM 0 HA VAL A 74 6.523 -6.466 -1.397 1.00 0.00 H new ATOM 0 HB VAL A 74 6.205 -5.019 0.919 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.041 -3.362 0.997 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.620 -4.998 1.390 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.939 -4.303 -0.217 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.184 -3.042 -0.606 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.032 -3.999 -1.844 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.380 -4.443 -1.353 1.00 0.00 H new ATOM 1142 N GLU A 75 8.949 -6.477 -2.086 1.00 0.00 N ATOM 1143 CA GLU A 75 10.369 -6.707 -2.477 1.00 0.00 C ATOM 1144 C GLU A 75 11.167 -5.412 -2.306 1.00 0.00 C ATOM 1145 O GLU A 75 10.609 -4.344 -2.149 1.00 0.00 O ATOM 1146 CB GLU A 75 10.433 -7.157 -3.938 1.00 0.00 C ATOM 1147 CG GLU A 75 11.381 -8.351 -4.062 1.00 0.00 C ATOM 1148 CD GLU A 75 11.868 -8.469 -5.507 1.00 0.00 C ATOM 1149 OE1 GLU A 75 11.048 -8.750 -6.367 1.00 0.00 O ATOM 1150 OE2 GLU A 75 13.052 -8.279 -5.729 1.00 0.00 O ATOM 0 H GLU A 75 8.323 -6.217 -2.848 1.00 0.00 H new ATOM 0 HA GLU A 75 10.796 -7.482 -1.840 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.438 -7.431 -4.289 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.779 -6.337 -4.567 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.230 -8.226 -3.390 1.00 0.00 H new ATOM 0 HG3 GLU A 75 10.870 -9.267 -3.763 1.00 0.00 H new ATOM 1157 N ASP A 76 12.468 -5.500 -2.333 1.00 0.00 N ATOM 1158 CA ASP A 76 13.303 -4.276 -2.172 1.00 0.00 C ATOM 1159 C ASP A 76 13.167 -3.398 -3.418 1.00 0.00 C ATOM 1160 O ASP A 76 12.611 -2.319 -3.300 1.00 0.00 O ATOM 1161 CB ASP A 76 14.768 -4.679 -1.990 1.00 0.00 C ATOM 1162 CG ASP A 76 15.558 -3.494 -1.429 1.00 0.00 C ATOM 1163 OD1 ASP A 76 15.453 -3.250 -0.239 1.00 0.00 O ATOM 1164 OD2 ASP A 76 16.252 -2.852 -2.200 1.00 0.00 O ATOM 1165 OXT ASP A 76 13.622 -3.821 -4.469 1.00 0.00 O ATOM 0 H ASP A 76 12.990 -6.367 -2.460 1.00 0.00 H new ATOM 0 HA ASP A 76 12.967 -3.720 -1.297 1.00 0.00 H new ATOM 0 HB2 ASP A 76 14.841 -5.531 -1.314 1.00 0.00 H new ATOM 0 HB3 ASP A 76 15.191 -4.993 -2.944 1.00 0.00 H new