USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=11 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+ -165:sc= -0.0138 (180deg=-0.38) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0459 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 141:sc= 0.128 (180deg=-0.662) USER MOD Single : A 47 LYS NZ :NH3+ -98:sc= -0.644 (180deg=-1.46!) USER MOD Single : A 48 MET CE :methyl -170:sc= -9.57! (180deg=-9.69!) USER MOD Single : A 52 ASN : amide:sc= -0.42 K(o=-0.42,f=-3.2!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -159:sc= -0.198 (180deg=-1.46!) USER MOD Single : A 62 MET CE :methyl 153:sc= -3.61! (180deg=-4.11!) USER MOD Single : A 66 THR OG1 : rot 85:sc= 1.07 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl -142:sc= -0.692 (180deg=-1.95!) USER MOD ----------------------------------------------------------------- ATOM 123 N PRO A 8 -8.782 7.079 -1.062 1.00 0.00 N ATOM 124 CA PRO A 8 -9.150 5.903 -0.250 1.00 0.00 C ATOM 125 C PRO A 8 -7.996 5.543 0.691 1.00 0.00 C ATOM 126 O PRO A 8 -6.954 6.166 0.650 1.00 0.00 O ATOM 127 CB PRO A 8 -9.388 4.806 -1.296 1.00 0.00 C ATOM 128 CG PRO A 8 -8.628 5.239 -2.569 1.00 0.00 C ATOM 129 CD PRO A 8 -8.420 6.760 -2.459 1.00 0.00 C ATOM 0 HA PRO A 8 -10.022 6.060 0.385 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.025 3.843 -0.937 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.452 4.690 -1.501 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.672 4.721 -2.645 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.197 4.989 -3.464 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.388 7.037 -2.676 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -9.050 7.300 -3.166 1.00 0.00 H new ATOM 137 N PRO A 9 -8.212 4.550 1.514 1.00 0.00 N ATOM 138 CA PRO A 9 -7.193 4.099 2.475 1.00 0.00 C ATOM 139 C PRO A 9 -6.093 3.332 1.743 1.00 0.00 C ATOM 140 O PRO A 9 -6.357 2.466 0.939 1.00 0.00 O ATOM 141 CB PRO A 9 -7.974 3.198 3.437 1.00 0.00 C ATOM 142 CG PRO A 9 -9.240 2.744 2.677 1.00 0.00 C ATOM 143 CD PRO A 9 -9.475 3.781 1.561 1.00 0.00 C ATOM 0 HA PRO A 9 -6.692 4.913 2.999 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -7.374 2.340 3.739 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.239 3.738 4.346 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.104 1.747 2.258 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.098 2.694 3.347 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.684 3.299 0.606 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.326 4.424 1.787 1.00 0.00 H new ATOM 151 N ALA A 10 -4.860 3.662 2.003 1.00 0.00 N ATOM 152 CA ALA A 10 -3.739 2.970 1.309 1.00 0.00 C ATOM 153 C ALA A 10 -3.869 1.454 1.472 1.00 0.00 C ATOM 154 O ALA A 10 -3.917 0.723 0.506 1.00 0.00 O ATOM 155 CB ALA A 10 -2.411 3.436 1.910 1.00 0.00 C ATOM 0 H ALA A 10 -4.579 4.383 2.668 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.772 3.214 0.247 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.587 2.932 1.405 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.311 4.514 1.781 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.388 3.194 2.973 1.00 0.00 H new ATOM 161 N ALA A 11 -3.913 0.976 2.684 1.00 0.00 N ATOM 162 CA ALA A 11 -4.022 -0.496 2.912 1.00 0.00 C ATOM 163 C ALA A 11 -4.983 -1.138 1.901 1.00 0.00 C ATOM 164 O ALA A 11 -4.878 -2.309 1.599 1.00 0.00 O ATOM 165 CB ALA A 11 -4.540 -0.747 4.330 1.00 0.00 C ATOM 0 H ALA A 11 -3.878 1.542 3.532 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.036 -0.942 2.784 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.622 -1.820 4.503 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.847 -0.315 5.052 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.520 -0.285 4.446 1.00 0.00 H new ATOM 171 N VAL A 12 -5.925 -0.394 1.389 1.00 0.00 N ATOM 172 CA VAL A 12 -6.891 -0.986 0.415 1.00 0.00 C ATOM 173 C VAL A 12 -6.301 -0.971 -1.005 1.00 0.00 C ATOM 174 O VAL A 12 -6.449 -1.915 -1.755 1.00 0.00 O ATOM 175 CB VAL A 12 -8.212 -0.191 0.463 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.228 0.919 -0.597 1.00 0.00 C ATOM 177 CG2 VAL A 12 -9.384 -1.138 0.206 1.00 0.00 C ATOM 0 H VAL A 12 -6.069 0.593 1.600 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.087 -2.024 0.686 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.300 0.265 1.449 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.171 1.463 -0.540 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.401 1.606 -0.417 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.123 0.477 -1.588 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.318 -0.578 0.240 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.272 -1.598 -0.776 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.399 -1.915 0.971 1.00 0.00 H new ATOM 187 N LEU A 13 -5.648 0.095 -1.383 1.00 0.00 N ATOM 188 CA LEU A 13 -5.069 0.170 -2.756 1.00 0.00 C ATOM 189 C LEU A 13 -3.890 -0.799 -2.891 1.00 0.00 C ATOM 190 O LEU A 13 -3.762 -1.494 -3.879 1.00 0.00 O ATOM 191 CB LEU A 13 -4.588 1.596 -3.025 1.00 0.00 C ATOM 192 CG LEU A 13 -5.794 2.533 -3.094 1.00 0.00 C ATOM 193 CD1 LEU A 13 -5.317 3.984 -3.022 1.00 0.00 C ATOM 194 CD2 LEU A 13 -6.540 2.309 -4.411 1.00 0.00 C ATOM 0 H LEU A 13 -5.490 0.917 -0.800 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.836 -0.106 -3.479 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.908 1.917 -2.236 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.030 1.633 -3.961 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.462 2.327 -2.257 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.177 4.652 -3.071 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.785 4.146 -2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.649 4.189 -3.859 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.400 2.977 -4.460 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.872 2.515 -5.247 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.880 1.275 -4.465 1.00 0.00 H new ATOM 206 N LEU A 14 -3.025 -0.849 -1.917 1.00 0.00 N ATOM 207 CA LEU A 14 -1.861 -1.777 -2.009 1.00 0.00 C ATOM 208 C LEU A 14 -2.347 -3.146 -2.488 1.00 0.00 C ATOM 209 O LEU A 14 -1.976 -3.609 -3.547 1.00 0.00 O ATOM 210 CB LEU A 14 -1.197 -1.919 -0.634 1.00 0.00 C ATOM 211 CG LEU A 14 -1.184 -0.567 0.087 1.00 0.00 C ATOM 212 CD1 LEU A 14 -0.147 -0.600 1.208 1.00 0.00 C ATOM 213 CD2 LEU A 14 -0.825 0.550 -0.900 1.00 0.00 C ATOM 0 H LEU A 14 -3.072 -0.291 -1.065 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.133 -1.377 -2.715 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.736 -2.654 -0.036 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.178 -2.288 -0.750 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.173 -0.375 0.503 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.136 0.361 1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.402 -1.388 1.917 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.839 -0.797 0.786 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.818 1.507 -0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.162 0.359 -1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.563 0.578 -1.702 1.00 0.00 H new ATOM 225 N LYS A 15 -3.180 -3.794 -1.718 1.00 0.00 N ATOM 226 CA LYS A 15 -3.694 -5.130 -2.137 1.00 0.00 C ATOM 227 C LYS A 15 -4.081 -5.077 -3.617 1.00 0.00 C ATOM 228 O LYS A 15 -3.877 -6.019 -4.359 1.00 0.00 O ATOM 229 CB LYS A 15 -4.926 -5.487 -1.304 1.00 0.00 C ATOM 230 CG LYS A 15 -4.497 -6.265 -0.060 1.00 0.00 C ATOM 231 CD LYS A 15 -5.723 -6.922 0.577 1.00 0.00 C ATOM 232 CE LYS A 15 -5.477 -8.424 0.720 1.00 0.00 C ATOM 233 NZ LYS A 15 -6.656 -9.063 1.369 1.00 0.00 N ATOM 0 H LYS A 15 -3.526 -3.457 -0.820 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.922 -5.884 -1.984 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.456 -4.580 -1.013 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.618 -6.084 -1.898 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.762 -7.024 -0.328 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.018 -5.595 0.654 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.920 -6.480 1.554 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.605 -6.744 -0.037 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.302 -8.869 -0.260 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.581 -8.601 1.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.488 -10.085 1.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.803 -8.646 2.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.502 -8.905 0.785 1.00 0.00 H new ATOM 247 N LYS A 16 -4.637 -3.979 -4.048 1.00 0.00 N ATOM 248 CA LYS A 16 -5.038 -3.852 -5.478 1.00 0.00 C ATOM 249 C LYS A 16 -3.819 -4.095 -6.371 1.00 0.00 C ATOM 250 O LYS A 16 -3.865 -4.874 -7.301 1.00 0.00 O ATOM 251 CB LYS A 16 -5.585 -2.445 -5.728 1.00 0.00 C ATOM 252 CG LYS A 16 -6.497 -2.461 -6.956 1.00 0.00 C ATOM 253 CD LYS A 16 -5.682 -2.112 -8.202 1.00 0.00 C ATOM 254 CE LYS A 16 -6.629 -1.819 -9.367 1.00 0.00 C ATOM 255 NZ LYS A 16 -7.506 -3.001 -9.602 1.00 0.00 N ATOM 0 H LYS A 16 -4.832 -3.161 -3.470 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.809 -4.587 -5.709 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.139 -2.099 -4.855 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.763 -1.746 -5.882 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.953 -3.444 -7.071 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.310 -1.746 -6.828 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.051 -1.245 -8.006 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.018 -2.938 -8.458 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.235 -0.941 -9.145 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.057 -1.592 -10.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.965 -2.914 -10.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.933 -3.869 -9.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.233 -3.047 -8.860 1.00 0.00 H new ATOM 269 N ALA A 17 -2.729 -3.432 -6.095 1.00 0.00 N ATOM 270 CA ALA A 17 -1.507 -3.624 -6.927 1.00 0.00 C ATOM 271 C ALA A 17 -1.298 -5.118 -7.184 1.00 0.00 C ATOM 272 O ALA A 17 -1.277 -5.566 -8.313 1.00 0.00 O ATOM 273 CB ALA A 17 -0.293 -3.061 -6.186 1.00 0.00 C ATOM 0 H ALA A 17 -2.632 -2.765 -5.329 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.627 -3.103 -7.877 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.601 -3.201 -6.793 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.442 -1.998 -5.999 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.172 -3.583 -5.237 1.00 0.00 H new ATOM 279 N ALA A 18 -1.141 -5.892 -6.146 1.00 0.00 N ATOM 280 CA ALA A 18 -0.934 -7.356 -6.331 1.00 0.00 C ATOM 281 C ALA A 18 -2.075 -7.929 -7.172 1.00 0.00 C ATOM 282 O ALA A 18 -1.899 -8.273 -8.324 1.00 0.00 O ATOM 283 CB ALA A 18 -0.910 -8.047 -4.966 1.00 0.00 C ATOM 0 H ALA A 18 -1.147 -5.574 -5.177 1.00 0.00 H new ATOM 0 HA ALA A 18 0.015 -7.526 -6.840 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.759 -9.118 -5.103 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.096 -7.639 -4.366 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.858 -7.877 -4.455 1.00 0.00 H new ATOM 289 N GLY A 19 -3.245 -8.036 -6.604 1.00 0.00 N ATOM 290 CA GLY A 19 -4.400 -8.587 -7.369 1.00 0.00 C ATOM 291 C GLY A 19 -5.019 -9.748 -6.588 1.00 0.00 C ATOM 292 O GLY A 19 -5.312 -10.792 -7.135 1.00 0.00 O ATOM 0 H GLY A 19 -3.451 -7.765 -5.642 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.144 -7.809 -7.536 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.071 -8.929 -8.350 1.00 0.00 H new ATOM 485 N ALA A 33 1.436 -13.742 -0.814 1.00 0.00 N ATOM 486 CA ALA A 33 1.295 -12.625 -1.791 1.00 0.00 C ATOM 487 C ALA A 33 2.460 -11.647 -1.625 1.00 0.00 C ATOM 488 O ALA A 33 2.614 -11.018 -0.596 1.00 0.00 O ATOM 489 CB ALA A 33 -0.024 -11.891 -1.539 1.00 0.00 C ATOM 0 HA ALA A 33 1.301 -13.028 -2.804 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.128 -11.074 -2.253 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.856 -12.586 -1.659 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.029 -11.490 -0.525 1.00 0.00 H new ATOM 495 N THR A 34 3.279 -11.508 -2.632 1.00 0.00 N ATOM 496 CA THR A 34 4.426 -10.564 -2.532 1.00 0.00 C ATOM 497 C THR A 34 4.089 -9.277 -3.286 1.00 0.00 C ATOM 498 O THR A 34 3.377 -9.293 -4.270 1.00 0.00 O ATOM 499 CB THR A 34 5.677 -11.201 -3.144 1.00 0.00 C ATOM 500 OG1 THR A 34 5.296 -12.306 -3.951 1.00 0.00 O ATOM 501 CG2 THR A 34 6.607 -11.676 -2.026 1.00 0.00 C ATOM 0 H THR A 34 3.203 -12.007 -3.518 1.00 0.00 H new ATOM 0 HA THR A 34 4.616 -10.336 -1.483 1.00 0.00 H new ATOM 0 HB THR A 34 6.198 -10.467 -3.758 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.095 -12.714 -4.345 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.497 -12.129 -2.461 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.898 -10.826 -1.409 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.090 -12.412 -1.410 1.00 0.00 H new ATOM 509 N ILE A 35 4.589 -8.163 -2.831 1.00 0.00 N ATOM 510 CA ILE A 35 4.289 -6.879 -3.523 1.00 0.00 C ATOM 511 C ILE A 35 5.595 -6.190 -3.924 1.00 0.00 C ATOM 512 O ILE A 35 6.293 -5.634 -3.100 1.00 0.00 O ATOM 513 CB ILE A 35 3.504 -5.968 -2.579 1.00 0.00 C ATOM 514 CG1 ILE A 35 2.099 -6.542 -2.375 1.00 0.00 C ATOM 515 CG2 ILE A 35 3.403 -4.566 -3.184 1.00 0.00 C ATOM 516 CD1 ILE A 35 1.270 -6.333 -3.644 1.00 0.00 C ATOM 0 H ILE A 35 5.191 -8.086 -2.011 1.00 0.00 H new ATOM 0 HA ILE A 35 3.699 -7.080 -4.417 1.00 0.00 H new ATOM 0 HB ILE A 35 4.017 -5.908 -1.619 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.160 -7.604 -2.139 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.616 -6.055 -1.528 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.843 -3.918 -2.510 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.404 -4.160 -3.330 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.890 -4.620 -4.144 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.270 -6.742 -3.497 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.198 -5.267 -3.860 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.751 -6.841 -4.480 1.00 0.00 H new ATOM 528 N LYS A 36 5.928 -6.214 -5.186 1.00 0.00 N ATOM 529 CA LYS A 36 7.184 -5.550 -5.629 1.00 0.00 C ATOM 530 C LYS A 36 7.151 -4.087 -5.185 1.00 0.00 C ATOM 531 O LYS A 36 6.097 -3.507 -5.018 1.00 0.00 O ATOM 532 CB LYS A 36 7.297 -5.622 -7.155 1.00 0.00 C ATOM 533 CG LYS A 36 7.348 -7.087 -7.597 1.00 0.00 C ATOM 534 CD LYS A 36 7.804 -7.166 -9.056 1.00 0.00 C ATOM 535 CE LYS A 36 6.583 -7.142 -9.976 1.00 0.00 C ATOM 536 NZ LYS A 36 7.029 -7.206 -11.397 1.00 0.00 N ATOM 0 H LYS A 36 5.387 -6.663 -5.925 1.00 0.00 H new ATOM 0 HA LYS A 36 8.043 -6.053 -5.186 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.446 -5.122 -7.617 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.194 -5.099 -7.489 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.033 -7.646 -6.960 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.365 -7.545 -7.487 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.463 -6.329 -9.288 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.378 -8.078 -9.220 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.928 -7.984 -9.751 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.004 -6.234 -9.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.198 -7.190 -12.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.637 -6.389 -11.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.563 -8.084 -11.554 1.00 0.00 H new ATOM 550 N ARG A 37 8.290 -3.484 -4.990 1.00 0.00 N ATOM 551 CA ARG A 37 8.307 -2.062 -4.555 1.00 0.00 C ATOM 552 C ARG A 37 7.949 -1.182 -5.747 1.00 0.00 C ATOM 553 O ARG A 37 7.416 -0.101 -5.603 1.00 0.00 O ATOM 554 CB ARG A 37 9.707 -1.699 -4.062 1.00 0.00 C ATOM 555 CG ARG A 37 9.596 -0.847 -2.799 1.00 0.00 C ATOM 556 CD ARG A 37 8.954 -1.672 -1.683 1.00 0.00 C ATOM 557 NE ARG A 37 9.053 -0.926 -0.396 1.00 0.00 N ATOM 558 CZ ARG A 37 9.967 -1.252 0.477 1.00 0.00 C ATOM 559 NH1 ARG A 37 11.105 -1.748 0.075 1.00 0.00 N ATOM 560 NH2 ARG A 37 9.743 -1.081 1.752 1.00 0.00 N ATOM 0 H ARG A 37 9.207 -3.914 -5.113 1.00 0.00 H new ATOM 0 HA ARG A 37 7.589 -1.911 -3.749 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.277 -2.604 -3.854 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.247 -1.153 -4.836 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.584 -0.504 -2.491 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.998 0.042 -2.999 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.909 -1.874 -1.920 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.453 -2.637 -1.596 1.00 0.00 H new ATOM 0 HE ARG A 37 8.407 -0.162 -0.198 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.280 -1.881 -0.921 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.820 -2.003 0.757 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.854 -0.693 2.066 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.457 -1.336 2.434 1.00 0.00 H new ATOM 574 N ASP A 38 8.246 -1.643 -6.928 1.00 0.00 N ATOM 575 CA ASP A 38 7.935 -0.845 -8.144 1.00 0.00 C ATOM 576 C ASP A 38 6.429 -0.571 -8.212 1.00 0.00 C ATOM 577 O ASP A 38 5.977 0.272 -8.962 1.00 0.00 O ATOM 578 CB ASP A 38 8.369 -1.624 -9.387 1.00 0.00 C ATOM 579 CG ASP A 38 8.654 -0.646 -10.528 1.00 0.00 C ATOM 580 OD1 ASP A 38 7.732 -0.348 -11.271 1.00 0.00 O ATOM 581 OD2 ASP A 38 9.789 -0.214 -10.642 1.00 0.00 O ATOM 0 H ASP A 38 8.693 -2.543 -7.104 1.00 0.00 H new ATOM 0 HA ASP A 38 8.471 0.103 -8.101 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.260 -2.213 -9.168 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.588 -2.325 -9.681 1.00 0.00 H new ATOM 586 N LYS A 39 5.650 -1.277 -7.439 1.00 0.00 N ATOM 587 CA LYS A 39 4.176 -1.054 -7.468 1.00 0.00 C ATOM 588 C LYS A 39 3.724 -0.422 -6.151 1.00 0.00 C ATOM 589 O LYS A 39 3.007 0.559 -6.135 1.00 0.00 O ATOM 590 CB LYS A 39 3.462 -2.396 -7.652 1.00 0.00 C ATOM 591 CG LYS A 39 2.260 -2.212 -8.581 1.00 0.00 C ATOM 592 CD LYS A 39 2.617 -2.711 -9.982 1.00 0.00 C ATOM 593 CE LYS A 39 1.668 -2.084 -11.004 1.00 0.00 C ATOM 594 NZ LYS A 39 1.953 -0.624 -11.114 1.00 0.00 N ATOM 0 H LYS A 39 5.969 -1.997 -6.790 1.00 0.00 H new ATOM 0 HA LYS A 39 3.930 -0.388 -8.295 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.149 -3.131 -8.071 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.133 -2.780 -6.686 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.401 -2.762 -8.195 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.974 -1.161 -8.620 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.648 -2.451 -10.220 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.545 -3.798 -10.022 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.792 -2.564 -11.975 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.633 -2.242 -10.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.875 -0.329 -12.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.268 -0.092 -10.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.915 -0.431 -10.770 1.00 0.00 H new ATOM 608 N VAL A 40 4.131 -0.981 -5.045 1.00 0.00 N ATOM 609 CA VAL A 40 3.718 -0.421 -3.728 1.00 0.00 C ATOM 610 C VAL A 40 4.063 1.076 -3.676 1.00 0.00 C ATOM 611 O VAL A 40 3.305 1.881 -3.170 1.00 0.00 O ATOM 612 CB VAL A 40 4.436 -1.200 -2.605 1.00 0.00 C ATOM 613 CG1 VAL A 40 5.648 -0.423 -2.072 1.00 0.00 C ATOM 614 CG2 VAL A 40 3.456 -1.452 -1.460 1.00 0.00 C ATOM 0 H VAL A 40 4.733 -1.803 -4.997 1.00 0.00 H new ATOM 0 HA VAL A 40 2.642 -0.525 -3.591 1.00 0.00 H new ATOM 0 HB VAL A 40 4.790 -2.145 -3.017 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.131 -0.999 -1.283 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.357 -0.253 -2.883 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.318 0.536 -1.672 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.959 -2.002 -0.665 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.098 -0.499 -1.071 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.611 -2.035 -1.826 1.00 0.00 H new ATOM 624 N ARG A 41 5.202 1.449 -4.196 1.00 0.00 N ATOM 625 CA ARG A 41 5.596 2.887 -4.175 1.00 0.00 C ATOM 626 C ARG A 41 4.744 3.671 -5.174 1.00 0.00 C ATOM 627 O ARG A 41 4.306 4.769 -4.901 1.00 0.00 O ATOM 628 CB ARG A 41 7.072 3.017 -4.557 1.00 0.00 C ATOM 629 CG ARG A 41 7.530 4.462 -4.346 1.00 0.00 C ATOM 630 CD ARG A 41 8.163 4.992 -5.633 1.00 0.00 C ATOM 631 NE ARG A 41 9.632 5.145 -5.437 1.00 0.00 N ATOM 632 CZ ARG A 41 10.428 5.174 -6.471 1.00 0.00 C ATOM 633 NH1 ARG A 41 10.651 4.085 -7.155 1.00 0.00 N ATOM 634 NH2 ARG A 41 11.003 6.292 -6.821 1.00 0.00 N ATOM 0 H ARG A 41 5.876 0.821 -4.634 1.00 0.00 H new ATOM 0 HA ARG A 41 5.440 3.288 -3.173 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.676 2.341 -3.952 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.216 2.727 -5.598 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.682 5.085 -4.062 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.249 4.511 -3.528 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.965 4.307 -6.457 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.719 5.951 -5.901 1.00 0.00 H new ATOM 0 HE ARG A 41 10.015 5.227 -4.495 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.203 3.210 -6.882 1.00 0.00 H new ATOM 0 HH12 ARG A 41 11.273 4.109 -7.963 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.830 7.143 -6.286 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.625 6.314 -7.629 1.00 0.00 H new ATOM 648 N GLU A 42 4.507 3.119 -6.333 1.00 0.00 N ATOM 649 CA GLU A 42 3.686 3.841 -7.346 1.00 0.00 C ATOM 650 C GLU A 42 2.380 4.311 -6.706 1.00 0.00 C ATOM 651 O GLU A 42 2.029 5.473 -6.768 1.00 0.00 O ATOM 652 CB GLU A 42 3.376 2.904 -8.515 1.00 0.00 C ATOM 653 CG GLU A 42 3.685 3.614 -9.833 1.00 0.00 C ATOM 654 CD GLU A 42 3.856 2.579 -10.945 1.00 0.00 C ATOM 655 OE1 GLU A 42 3.968 1.406 -10.624 1.00 0.00 O ATOM 656 OE2 GLU A 42 3.873 2.974 -12.099 1.00 0.00 O ATOM 0 H GLU A 42 4.846 2.201 -6.622 1.00 0.00 H new ATOM 0 HA GLU A 42 4.240 4.705 -7.712 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.969 1.993 -8.432 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.328 2.605 -8.488 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.879 4.303 -10.084 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.593 4.209 -9.733 1.00 0.00 H new ATOM 663 N ILE A 43 1.655 3.419 -6.089 1.00 0.00 N ATOM 664 CA ILE A 43 0.372 3.818 -5.445 1.00 0.00 C ATOM 665 C ILE A 43 0.644 4.902 -4.398 1.00 0.00 C ATOM 666 O ILE A 43 0.045 5.962 -4.413 1.00 0.00 O ATOM 667 CB ILE A 43 -0.257 2.599 -4.767 1.00 0.00 C ATOM 668 CG1 ILE A 43 -0.393 1.465 -5.786 1.00 0.00 C ATOM 669 CG2 ILE A 43 -1.640 2.970 -4.229 1.00 0.00 C ATOM 670 CD1 ILE A 43 -0.005 0.138 -5.129 1.00 0.00 C ATOM 0 H ILE A 43 1.895 2.431 -6.003 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.311 4.206 -6.201 1.00 0.00 H new ATOM 0 HB ILE A 43 0.377 2.274 -3.942 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.417 1.414 -6.155 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.247 1.657 -6.647 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.088 2.101 -3.746 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.544 3.778 -3.504 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.276 3.295 -5.053 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.102 -0.669 -5.855 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.027 0.192 -4.782 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.663 -0.055 -4.282 1.00 0.00 H new ATOM 682 N ALA A 44 1.543 4.646 -3.486 1.00 0.00 N ATOM 683 CA ALA A 44 1.852 5.661 -2.441 1.00 0.00 C ATOM 684 C ALA A 44 2.305 6.960 -3.110 1.00 0.00 C ATOM 685 O ALA A 44 2.325 8.011 -2.500 1.00 0.00 O ATOM 686 CB ALA A 44 2.966 5.138 -1.534 1.00 0.00 C ATOM 0 H ALA A 44 2.076 3.779 -3.420 1.00 0.00 H new ATOM 0 HA ALA A 44 0.959 5.852 -1.845 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.192 5.881 -0.769 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.642 4.213 -1.057 1.00 0.00 H new ATOM 0 HB3 ALA A 44 3.859 4.946 -2.128 1.00 0.00 H new ATOM 692 N GLU A 45 2.668 6.898 -4.362 1.00 0.00 N ATOM 693 CA GLU A 45 3.115 8.130 -5.068 1.00 0.00 C ATOM 694 C GLU A 45 1.890 8.949 -5.476 1.00 0.00 C ATOM 695 O GLU A 45 1.830 10.143 -5.260 1.00 0.00 O ATOM 696 CB GLU A 45 3.914 7.745 -6.316 1.00 0.00 C ATOM 697 CG GLU A 45 5.313 8.359 -6.235 1.00 0.00 C ATOM 698 CD GLU A 45 5.195 9.862 -5.975 1.00 0.00 C ATOM 699 OE1 GLU A 45 4.105 10.387 -6.133 1.00 0.00 O ATOM 700 OE2 GLU A 45 6.197 10.462 -5.624 1.00 0.00 O ATOM 0 H GLU A 45 2.674 6.048 -4.925 1.00 0.00 H new ATOM 0 HA GLU A 45 3.747 8.722 -4.406 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.985 6.660 -6.395 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.402 8.097 -7.212 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.884 7.885 -5.437 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.854 8.181 -7.164 1.00 0.00 H new ATOM 707 N LEU A 46 0.908 8.314 -6.055 1.00 0.00 N ATOM 708 CA LEU A 46 -0.315 9.057 -6.465 1.00 0.00 C ATOM 709 C LEU A 46 -0.890 9.776 -5.245 1.00 0.00 C ATOM 710 O LEU A 46 -1.254 10.933 -5.306 1.00 0.00 O ATOM 711 CB LEU A 46 -1.348 8.074 -7.017 1.00 0.00 C ATOM 712 CG LEU A 46 -0.878 7.552 -8.374 1.00 0.00 C ATOM 713 CD1 LEU A 46 -0.718 6.031 -8.310 1.00 0.00 C ATOM 714 CD2 LEU A 46 -1.910 7.911 -9.443 1.00 0.00 C ATOM 0 H LEU A 46 0.900 7.315 -6.261 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.066 9.785 -7.237 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.484 7.244 -6.323 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.315 8.566 -7.119 1.00 0.00 H new ATOM 0 HG LEU A 46 0.080 8.007 -8.626 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.383 5.659 -9.278 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.018 5.774 -7.548 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.675 5.575 -8.058 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.575 7.539 -10.411 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.868 7.456 -9.191 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.023 8.994 -9.490 1.00 0.00 H new ATOM 726 N LYS A 47 -0.970 9.098 -4.133 1.00 0.00 N ATOM 727 CA LYS A 47 -1.514 9.744 -2.906 1.00 0.00 C ATOM 728 C LYS A 47 -0.357 10.073 -1.961 1.00 0.00 C ATOM 729 O LYS A 47 -0.351 9.680 -0.812 1.00 0.00 O ATOM 730 CB LYS A 47 -2.486 8.790 -2.208 1.00 0.00 C ATOM 731 CG LYS A 47 -3.294 8.019 -3.254 1.00 0.00 C ATOM 732 CD LYS A 47 -2.988 6.526 -3.132 1.00 0.00 C ATOM 733 CE LYS A 47 -3.202 6.079 -1.684 1.00 0.00 C ATOM 734 NZ LYS A 47 -1.887 5.742 -1.069 1.00 0.00 N ATOM 0 H LYS A 47 -0.682 8.126 -4.021 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.042 10.658 -3.178 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.936 8.094 -1.575 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.157 9.351 -1.557 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.360 8.196 -3.109 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.045 8.372 -4.255 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.634 5.956 -3.799 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.960 6.328 -3.437 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.689 6.871 -1.116 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.863 5.213 -1.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.740 4.713 -1.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.126 6.220 -1.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.876 6.057 -0.078 1.00 0.00 H new ATOM 748 N MET A 48 0.627 10.783 -2.440 1.00 0.00 N ATOM 749 CA MET A 48 1.790 11.132 -1.574 1.00 0.00 C ATOM 750 C MET A 48 1.410 12.266 -0.615 1.00 0.00 C ATOM 751 O MET A 48 1.575 12.140 0.581 1.00 0.00 O ATOM 752 CB MET A 48 2.964 11.575 -2.449 1.00 0.00 C ATOM 753 CG MET A 48 4.181 10.697 -2.150 1.00 0.00 C ATOM 754 SD MET A 48 5.632 11.747 -1.887 1.00 0.00 S ATOM 755 CE MET A 48 5.280 12.190 -0.167 1.00 0.00 C ATOM 0 H MET A 48 0.677 11.137 -3.395 1.00 0.00 H new ATOM 0 HA MET A 48 2.077 10.255 -0.993 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.696 11.497 -3.503 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.201 12.621 -2.256 1.00 0.00 H new ATOM 0 HG2 MET A 48 3.995 10.087 -1.266 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.360 10.011 -2.978 1.00 0.00 H new ATOM 0 HE1 MET A 48 5.958 12.982 0.151 1.00 0.00 H new ATOM 0 HE2 MET A 48 4.251 12.539 -0.085 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.419 11.316 0.469 1.00 0.00 H new ATOM 765 N PRO A 49 0.915 13.346 -1.169 1.00 0.00 N ATOM 766 CA PRO A 49 0.509 14.522 -0.381 1.00 0.00 C ATOM 767 C PRO A 49 -0.845 14.276 0.292 1.00 0.00 C ATOM 768 O PRO A 49 -1.376 15.134 0.969 1.00 0.00 O ATOM 769 CB PRO A 49 0.408 15.638 -1.424 1.00 0.00 C ATOM 770 CG PRO A 49 0.206 14.941 -2.790 1.00 0.00 C ATOM 771 CD PRO A 49 0.713 13.495 -2.626 1.00 0.00 C ATOM 0 HA PRO A 49 1.206 14.760 0.422 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.425 16.304 -1.201 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.311 16.248 -1.429 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.845 14.953 -3.079 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.758 15.459 -3.574 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.011 12.773 -3.004 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.640 13.333 -3.176 1.00 0.00 H new ATOM 779 N ASP A 50 -1.408 13.113 0.111 1.00 0.00 N ATOM 780 CA ASP A 50 -2.724 12.815 0.742 1.00 0.00 C ATOM 781 C ASP A 50 -2.503 12.058 2.053 1.00 0.00 C ATOM 782 O ASP A 50 -3.420 11.843 2.819 1.00 0.00 O ATOM 783 CB ASP A 50 -3.564 11.957 -0.207 1.00 0.00 C ATOM 784 CG ASP A 50 -4.088 12.823 -1.354 1.00 0.00 C ATOM 785 OD1 ASP A 50 -4.971 13.628 -1.106 1.00 0.00 O ATOM 786 OD2 ASP A 50 -3.597 12.668 -2.460 1.00 0.00 O ATOM 0 H ASP A 50 -1.013 12.356 -0.447 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.247 13.749 0.946 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.963 11.138 -0.602 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.398 11.509 0.334 1.00 0.00 H new ATOM 791 N LEU A 51 -1.290 11.651 2.316 1.00 0.00 N ATOM 792 CA LEU A 51 -1.012 10.905 3.579 1.00 0.00 C ATOM 793 C LEU A 51 -0.069 11.731 4.457 1.00 0.00 C ATOM 794 O LEU A 51 0.753 11.196 5.174 1.00 0.00 O ATOM 795 CB LEU A 51 -0.355 9.551 3.265 1.00 0.00 C ATOM 796 CG LEU A 51 -0.441 9.249 1.766 1.00 0.00 C ATOM 797 CD1 LEU A 51 0.286 7.937 1.463 1.00 0.00 C ATOM 798 CD2 LEU A 51 -1.910 9.123 1.356 1.00 0.00 C ATOM 0 H LEU A 51 -0.481 11.802 1.713 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.952 10.731 4.102 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.688 9.564 3.580 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.849 8.761 3.830 1.00 0.00 H new ATOM 0 HG LEU A 51 0.027 10.059 1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.223 7.724 0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.333 8.025 1.755 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.179 7.126 2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.973 8.908 0.289 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.376 8.313 1.917 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.429 10.058 1.569 1.00 0.00 H new ATOM 810 N ASN A 52 -0.178 13.030 4.405 1.00 0.00 N ATOM 811 CA ASN A 52 0.714 13.885 5.238 1.00 0.00 C ATOM 812 C ASN A 52 2.153 13.381 5.123 1.00 0.00 C ATOM 813 O ASN A 52 2.910 13.414 6.073 1.00 0.00 O ATOM 814 CB ASN A 52 0.265 13.819 6.699 1.00 0.00 C ATOM 815 CG ASN A 52 -0.646 15.009 7.009 1.00 0.00 C ATOM 816 OD1 ASN A 52 -0.629 16.001 6.309 1.00 0.00 O ATOM 817 ND2 ASN A 52 -1.448 14.950 8.037 1.00 0.00 N ATOM 0 H ASN A 52 -0.845 13.536 3.823 1.00 0.00 H new ATOM 0 HA ASN A 52 0.661 14.916 4.889 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.264 12.884 6.886 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.133 13.831 7.358 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.060 15.737 8.252 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.463 14.117 8.625 1.00 0.00 H new ATOM 824 N ALA A 53 2.536 12.913 3.967 1.00 0.00 N ATOM 825 CA ALA A 53 3.926 12.406 3.793 1.00 0.00 C ATOM 826 C ALA A 53 4.757 13.446 3.038 1.00 0.00 C ATOM 827 O ALA A 53 4.402 13.873 1.958 1.00 0.00 O ATOM 828 CB ALA A 53 3.897 11.099 2.996 1.00 0.00 C ATOM 0 H ALA A 53 1.947 12.860 3.136 1.00 0.00 H new ATOM 0 HA ALA A 53 4.372 12.225 4.771 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.914 10.728 2.869 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.305 10.358 3.533 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.451 11.279 2.018 1.00 0.00 H new ATOM 834 N ALA A 54 5.863 13.854 3.599 1.00 0.00 N ATOM 835 CA ALA A 54 6.716 14.864 2.911 1.00 0.00 C ATOM 836 C ALA A 54 7.265 14.267 1.614 1.00 0.00 C ATOM 837 O ALA A 54 7.110 14.826 0.547 1.00 0.00 O ATOM 838 CB ALA A 54 7.879 15.257 3.824 1.00 0.00 C ATOM 0 H ALA A 54 6.212 13.532 4.502 1.00 0.00 H new ATOM 0 HA ALA A 54 6.120 15.748 2.682 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.503 15.996 3.321 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.488 15.681 4.749 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.476 14.374 4.054 1.00 0.00 H new ATOM 844 N SER A 55 7.906 13.134 1.698 1.00 0.00 N ATOM 845 CA SER A 55 8.463 12.500 0.470 1.00 0.00 C ATOM 846 C SER A 55 8.009 11.042 0.400 1.00 0.00 C ATOM 847 O SER A 55 7.124 10.623 1.118 1.00 0.00 O ATOM 848 CB SER A 55 9.990 12.558 0.518 1.00 0.00 C ATOM 849 OG SER A 55 10.413 12.648 1.873 1.00 0.00 O ATOM 0 H SER A 55 8.068 12.620 2.564 1.00 0.00 H new ATOM 0 HA SER A 55 8.106 13.033 -0.411 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.414 11.669 0.050 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.351 13.418 -0.046 1.00 0.00 H new ATOM 0 HG SER A 55 11.392 12.684 1.908 1.00 0.00 H new ATOM 855 N ILE A 56 8.609 10.262 -0.458 1.00 0.00 N ATOM 856 CA ILE A 56 8.210 8.831 -0.567 1.00 0.00 C ATOM 857 C ILE A 56 8.597 8.104 0.722 1.00 0.00 C ATOM 858 O ILE A 56 7.836 7.328 1.262 1.00 0.00 O ATOM 859 CB ILE A 56 8.930 8.184 -1.749 1.00 0.00 C ATOM 860 CG1 ILE A 56 8.765 9.055 -2.997 1.00 0.00 C ATOM 861 CG2 ILE A 56 8.333 6.801 -2.014 1.00 0.00 C ATOM 862 CD1 ILE A 56 7.293 9.079 -3.413 1.00 0.00 C ATOM 0 H ILE A 56 9.357 10.554 -1.087 1.00 0.00 H new ATOM 0 HA ILE A 56 7.133 8.764 -0.721 1.00 0.00 H new ATOM 0 HB ILE A 56 9.990 8.088 -1.514 1.00 0.00 H new ATOM 0 HG12 ILE A 56 9.113 10.068 -2.795 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.377 8.664 -3.810 1.00 0.00 H new ATOM 0 HG21 ILE A 56 8.846 6.339 -2.857 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.454 6.177 -1.129 1.00 0.00 H new ATOM 0 HG23 ILE A 56 7.272 6.901 -2.245 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.176 9.699 -4.302 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.960 8.064 -3.632 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.692 9.490 -2.602 1.00 0.00 H new ATOM 874 N GLU A 57 9.780 8.350 1.218 1.00 0.00 N ATOM 875 CA GLU A 57 10.214 7.673 2.472 1.00 0.00 C ATOM 876 C GLU A 57 9.070 7.707 3.486 1.00 0.00 C ATOM 877 O GLU A 57 8.944 6.838 4.326 1.00 0.00 O ATOM 878 CB GLU A 57 11.427 8.405 3.051 1.00 0.00 C ATOM 879 CG GLU A 57 12.710 7.822 2.455 1.00 0.00 C ATOM 880 CD GLU A 57 13.872 8.785 2.707 1.00 0.00 C ATOM 881 OE1 GLU A 57 14.085 9.138 3.857 1.00 0.00 O ATOM 882 OE2 GLU A 57 14.528 9.153 1.748 1.00 0.00 O ATOM 0 H GLU A 57 10.462 8.989 0.810 1.00 0.00 H new ATOM 0 HA GLU A 57 10.481 6.639 2.256 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.362 9.470 2.829 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.440 8.306 4.136 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.924 6.852 2.903 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.585 7.658 1.385 1.00 0.00 H new ATOM 889 N ALA A 58 8.235 8.707 3.414 1.00 0.00 N ATOM 890 CA ALA A 58 7.099 8.800 4.372 1.00 0.00 C ATOM 891 C ALA A 58 5.877 8.082 3.795 1.00 0.00 C ATOM 892 O ALA A 58 5.103 7.482 4.515 1.00 0.00 O ATOM 893 CB ALA A 58 6.759 10.271 4.616 1.00 0.00 C ATOM 0 H ALA A 58 8.291 9.464 2.732 1.00 0.00 H new ATOM 0 HA ALA A 58 7.381 8.329 5.314 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.927 10.341 5.317 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.628 10.781 5.032 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.479 10.741 3.673 1.00 0.00 H new ATOM 899 N ALA A 59 5.694 8.137 2.503 1.00 0.00 N ATOM 900 CA ALA A 59 4.519 7.453 1.894 1.00 0.00 C ATOM 901 C ALA A 59 4.764 5.945 1.886 1.00 0.00 C ATOM 902 O ALA A 59 4.091 5.192 2.564 1.00 0.00 O ATOM 903 CB ALA A 59 4.321 7.948 0.460 1.00 0.00 C ATOM 0 H ALA A 59 6.304 8.624 1.847 1.00 0.00 H new ATOM 0 HA ALA A 59 3.625 7.676 2.476 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.461 7.446 0.017 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.149 9.024 0.467 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.212 7.727 -0.127 1.00 0.00 H new ATOM 909 N MET A 60 5.727 5.494 1.131 1.00 0.00 N ATOM 910 CA MET A 60 6.018 4.035 1.088 1.00 0.00 C ATOM 911 C MET A 60 6.138 3.502 2.518 1.00 0.00 C ATOM 912 O MET A 60 5.968 2.324 2.768 1.00 0.00 O ATOM 913 CB MET A 60 7.334 3.799 0.342 1.00 0.00 C ATOM 914 CG MET A 60 8.506 4.258 1.213 1.00 0.00 C ATOM 915 SD MET A 60 9.956 4.551 0.170 1.00 0.00 S ATOM 916 CE MET A 60 9.845 3.031 -0.806 1.00 0.00 C ATOM 0 H MET A 60 6.325 6.074 0.542 1.00 0.00 H new ATOM 0 HA MET A 60 5.211 3.516 0.571 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.441 2.742 0.098 1.00 0.00 H new ATOM 0 HB3 MET A 60 7.332 4.346 -0.601 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.240 5.169 1.748 1.00 0.00 H new ATOM 0 HG3 MET A 60 8.732 3.502 1.964 1.00 0.00 H new ATOM 0 HE1 MET A 60 10.817 2.810 -1.248 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.544 2.206 -0.161 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.107 3.160 -1.598 1.00 0.00 H new ATOM 926 N ARG A 61 6.428 4.360 3.460 1.00 0.00 N ATOM 927 CA ARG A 61 6.556 3.903 4.873 1.00 0.00 C ATOM 928 C ARG A 61 5.215 3.350 5.353 1.00 0.00 C ATOM 929 O ARG A 61 5.142 2.283 5.929 1.00 0.00 O ATOM 930 CB ARG A 61 6.969 5.083 5.757 1.00 0.00 C ATOM 931 CG ARG A 61 8.396 4.863 6.268 1.00 0.00 C ATOM 932 CD ARG A 61 8.353 4.426 7.733 1.00 0.00 C ATOM 933 NE ARG A 61 7.683 5.477 8.549 1.00 0.00 N ATOM 934 CZ ARG A 61 8.252 5.920 9.637 1.00 0.00 C ATOM 935 NH1 ARG A 61 9.104 6.907 9.572 1.00 0.00 N ATOM 936 NH2 ARG A 61 7.969 5.378 10.790 1.00 0.00 N ATOM 0 H ARG A 61 6.582 5.357 3.311 1.00 0.00 H new ATOM 0 HA ARG A 61 7.314 3.122 4.935 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.913 6.013 5.191 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.281 5.180 6.597 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.896 4.104 5.666 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.975 5.781 6.168 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.816 3.482 7.826 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.364 4.255 8.102 1.00 0.00 H new ATOM 0 HE ARG A 61 6.780 5.850 8.258 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.325 7.332 8.671 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.549 7.254 10.422 1.00 0.00 H new ATOM 0 HH21 ARG A 61 7.303 4.607 10.841 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.414 5.725 11.640 1.00 0.00 H new ATOM 950 N MET A 62 4.155 4.066 5.115 1.00 0.00 N ATOM 951 CA MET A 62 2.816 3.582 5.551 1.00 0.00 C ATOM 952 C MET A 62 2.373 2.444 4.630 1.00 0.00 C ATOM 953 O MET A 62 1.544 1.629 4.985 1.00 0.00 O ATOM 954 CB MET A 62 1.807 4.730 5.472 1.00 0.00 C ATOM 955 CG MET A 62 2.506 6.050 5.799 1.00 0.00 C ATOM 956 SD MET A 62 1.360 7.137 6.682 1.00 0.00 S ATOM 957 CE MET A 62 1.849 8.686 5.884 1.00 0.00 C ATOM 0 H MET A 62 4.156 4.967 4.637 1.00 0.00 H new ATOM 0 HA MET A 62 2.870 3.223 6.579 1.00 0.00 H new ATOM 0 HB2 MET A 62 1.370 4.776 4.474 1.00 0.00 H new ATOM 0 HB3 MET A 62 0.989 4.557 6.171 1.00 0.00 H new ATOM 0 HG2 MET A 62 3.390 5.864 6.408 1.00 0.00 H new ATOM 0 HG3 MET A 62 2.846 6.531 4.882 1.00 0.00 H new ATOM 0 HE1 MET A 62 1.010 9.382 5.895 1.00 0.00 H new ATOM 0 HE2 MET A 62 2.690 9.123 6.423 1.00 0.00 H new ATOM 0 HE3 MET A 62 2.142 8.487 4.853 1.00 0.00 H new ATOM 967 N ILE A 63 2.925 2.383 3.450 1.00 0.00 N ATOM 968 CA ILE A 63 2.549 1.301 2.498 1.00 0.00 C ATOM 969 C ILE A 63 3.276 0.015 2.879 1.00 0.00 C ATOM 970 O ILE A 63 2.842 -1.068 2.557 1.00 0.00 O ATOM 971 CB ILE A 63 2.945 1.718 1.080 1.00 0.00 C ATOM 972 CG1 ILE A 63 2.320 3.078 0.748 1.00 0.00 C ATOM 973 CG2 ILE A 63 2.449 0.672 0.082 1.00 0.00 C ATOM 974 CD1 ILE A 63 0.864 3.114 1.224 1.00 0.00 C ATOM 0 H ILE A 63 3.624 3.040 3.103 1.00 0.00 H new ATOM 0 HA ILE A 63 1.473 1.131 2.539 1.00 0.00 H new ATOM 0 HB ILE A 63 4.031 1.794 1.017 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.888 3.875 1.227 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.365 3.256 -0.326 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.731 0.970 -0.928 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.897 -0.294 0.314 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.364 0.593 0.147 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.427 4.083 0.985 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.298 2.327 0.724 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.830 2.957 2.302 1.00 0.00 H new ATOM 986 N GLU A 64 4.376 0.120 3.568 1.00 0.00 N ATOM 987 CA GLU A 64 5.112 -1.108 3.967 1.00 0.00 C ATOM 988 C GLU A 64 4.567 -1.609 5.305 1.00 0.00 C ATOM 989 O GLU A 64 4.332 -2.787 5.491 1.00 0.00 O ATOM 990 CB GLU A 64 6.602 -0.798 4.106 1.00 0.00 C ATOM 991 CG GLU A 64 7.394 -2.104 4.065 1.00 0.00 C ATOM 992 CD GLU A 64 7.573 -2.635 5.489 1.00 0.00 C ATOM 993 OE1 GLU A 64 8.267 -1.991 6.257 1.00 0.00 O ATOM 994 OE2 GLU A 64 7.011 -3.678 5.786 1.00 0.00 O ATOM 0 H GLU A 64 4.795 0.999 3.871 1.00 0.00 H new ATOM 0 HA GLU A 64 4.977 -1.875 3.204 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.925 -0.138 3.301 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.791 -0.274 5.043 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.872 -2.840 3.454 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.367 -1.938 3.602 1.00 0.00 H new ATOM 1001 N GLY A 65 4.357 -0.722 6.240 1.00 0.00 N ATOM 1002 CA GLY A 65 3.821 -1.146 7.563 1.00 0.00 C ATOM 1003 C GLY A 65 2.331 -1.458 7.428 1.00 0.00 C ATOM 1004 O GLY A 65 1.782 -2.249 8.171 1.00 0.00 O ATOM 0 H GLY A 65 4.534 0.278 6.144 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.357 -2.025 7.921 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.974 -0.357 8.300 1.00 0.00 H new ATOM 1008 N THR A 66 1.670 -0.843 6.486 1.00 0.00 N ATOM 1009 CA THR A 66 0.215 -1.104 6.301 1.00 0.00 C ATOM 1010 C THR A 66 0.027 -2.274 5.336 1.00 0.00 C ATOM 1011 O THR A 66 -0.884 -3.066 5.477 1.00 0.00 O ATOM 1012 CB THR A 66 -0.461 0.143 5.727 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.176 1.259 6.559 1.00 0.00 O ATOM 1014 CG2 THR A 66 -1.972 -0.077 5.665 1.00 0.00 C ATOM 0 H THR A 66 2.076 -0.170 5.836 1.00 0.00 H new ATOM 0 HA THR A 66 -0.234 -1.349 7.263 1.00 0.00 H new ATOM 0 HB THR A 66 -0.083 0.332 4.722 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.688 1.646 6.303 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.453 0.812 5.256 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.189 -0.933 5.026 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.354 -0.267 6.668 1.00 0.00 H new ATOM 1022 N ALA A 67 0.881 -2.395 4.355 1.00 0.00 N ATOM 1023 CA ALA A 67 0.746 -3.520 3.389 1.00 0.00 C ATOM 1024 C ALA A 67 1.150 -4.823 4.082 1.00 0.00 C ATOM 1025 O ALA A 67 0.834 -5.903 3.627 1.00 0.00 O ATOM 1026 CB ALA A 67 1.657 -3.272 2.183 1.00 0.00 C ATOM 0 H ALA A 67 1.664 -1.764 4.182 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.287 -3.592 3.047 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.558 -4.096 1.476 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.370 -2.340 1.696 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.692 -3.203 2.517 1.00 0.00 H new ATOM 1032 N ARG A 68 1.843 -4.726 5.184 1.00 0.00 N ATOM 1033 CA ARG A 68 2.266 -5.954 5.912 1.00 0.00 C ATOM 1034 C ARG A 68 1.282 -6.235 7.050 1.00 0.00 C ATOM 1035 O ARG A 68 1.096 -7.364 7.458 1.00 0.00 O ATOM 1036 CB ARG A 68 3.668 -5.746 6.491 1.00 0.00 C ATOM 1037 CG ARG A 68 3.593 -4.774 7.670 1.00 0.00 C ATOM 1038 CD ARG A 68 4.986 -4.592 8.273 1.00 0.00 C ATOM 1039 NE ARG A 68 4.884 -4.568 9.759 1.00 0.00 N ATOM 1040 CZ ARG A 68 5.565 -5.422 10.473 1.00 0.00 C ATOM 1041 NH1 ARG A 68 6.852 -5.268 10.626 1.00 0.00 N ATOM 1042 NH2 ARG A 68 4.958 -6.430 11.036 1.00 0.00 N ATOM 0 H ARG A 68 2.135 -3.847 5.612 1.00 0.00 H new ATOM 0 HA ARG A 68 2.278 -6.799 5.224 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.083 -6.699 6.818 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.335 -5.353 5.724 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.201 -3.813 7.338 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.905 -5.155 8.425 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.640 -5.404 7.956 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.431 -3.665 7.913 1.00 0.00 H new ATOM 0 HE ARG A 68 4.282 -3.884 10.218 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.327 -4.479 10.187 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.383 -5.936 11.184 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.952 -6.550 10.918 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.489 -7.098 11.594 1.00 0.00 H new ATOM 1056 N SER A 69 0.651 -5.215 7.566 1.00 0.00 N ATOM 1057 CA SER A 69 -0.321 -5.424 8.677 1.00 0.00 C ATOM 1058 C SER A 69 -1.283 -6.554 8.302 1.00 0.00 C ATOM 1059 O SER A 69 -1.777 -7.268 9.151 1.00 0.00 O ATOM 1060 CB SER A 69 -1.112 -4.137 8.914 1.00 0.00 C ATOM 1061 OG SER A 69 -1.020 -3.774 10.285 1.00 0.00 O ATOM 0 H SER A 69 0.767 -4.247 7.266 1.00 0.00 H new ATOM 0 HA SER A 69 0.217 -5.689 9.587 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.721 -3.336 8.287 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.155 -4.281 8.633 1.00 0.00 H new ATOM 0 HG SER A 69 -1.525 -2.948 10.439 1.00 0.00 H new ATOM 1067 N MET A 70 -1.549 -6.720 7.035 1.00 0.00 N ATOM 1068 CA MET A 70 -2.475 -7.803 6.602 1.00 0.00 C ATOM 1069 C MET A 70 -1.684 -9.098 6.409 1.00 0.00 C ATOM 1070 O MET A 70 -2.157 -10.176 6.710 1.00 0.00 O ATOM 1071 CB MET A 70 -3.142 -7.409 5.284 1.00 0.00 C ATOM 1072 CG MET A 70 -4.456 -6.679 5.575 1.00 0.00 C ATOM 1073 SD MET A 70 -5.199 -6.130 4.018 1.00 0.00 S ATOM 1074 CE MET A 70 -3.888 -4.981 3.534 1.00 0.00 C ATOM 0 H MET A 70 -1.164 -6.151 6.281 1.00 0.00 H new ATOM 0 HA MET A 70 -3.241 -7.954 7.363 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.478 -6.767 4.705 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.333 -8.297 4.681 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.142 -7.340 6.105 1.00 0.00 H new ATOM 0 HG3 MET A 70 -4.273 -5.823 6.225 1.00 0.00 H new ATOM 0 HE1 MET A 70 -4.330 -4.100 3.069 1.00 0.00 H new ATOM 0 HE2 MET A 70 -3.323 -4.680 4.417 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.220 -5.469 2.825 1.00 0.00 H new ATOM 1084 N GLY A 71 -0.482 -9.002 5.910 1.00 0.00 N ATOM 1085 CA GLY A 71 0.337 -10.230 5.702 1.00 0.00 C ATOM 1086 C GLY A 71 1.088 -10.130 4.373 1.00 0.00 C ATOM 1087 O GLY A 71 1.965 -10.920 4.085 1.00 0.00 O ATOM 0 H GLY A 71 -0.032 -8.128 5.638 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.045 -10.350 6.522 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.305 -11.111 5.703 1.00 0.00 H new ATOM 1091 N ILE A 72 0.753 -9.165 3.559 1.00 0.00 N ATOM 1092 CA ILE A 72 1.454 -9.020 2.253 1.00 0.00 C ATOM 1093 C ILE A 72 2.892 -8.562 2.498 1.00 0.00 C ATOM 1094 O ILE A 72 3.151 -7.728 3.343 1.00 0.00 O ATOM 1095 CB ILE A 72 0.731 -7.978 1.396 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.748 -8.348 1.280 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.357 -7.941 0.002 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.526 -7.157 0.719 1.00 0.00 C ATOM 0 H ILE A 72 0.026 -8.473 3.742 1.00 0.00 H new ATOM 0 HA ILE A 72 1.457 -9.979 1.735 1.00 0.00 H new ATOM 0 HB ILE A 72 0.824 -6.998 1.863 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.868 -9.214 0.629 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.142 -8.627 2.257 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.842 -7.199 -0.608 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.411 -7.676 0.083 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.265 -8.922 -0.464 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.581 -7.418 0.635 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.416 -6.303 1.387 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.137 -6.900 -0.266 1.00 0.00 H new ATOM 1110 N VAL A 73 3.831 -9.095 1.767 1.00 0.00 N ATOM 1111 CA VAL A 73 5.247 -8.678 1.966 1.00 0.00 C ATOM 1112 C VAL A 73 5.634 -7.684 0.866 1.00 0.00 C ATOM 1113 O VAL A 73 4.826 -7.320 0.035 1.00 0.00 O ATOM 1114 CB VAL A 73 6.157 -9.920 1.926 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.699 -10.157 0.510 1.00 0.00 C ATOM 1116 CG2 VAL A 73 7.331 -9.716 2.886 1.00 0.00 C ATOM 0 H VAL A 73 3.680 -9.798 1.044 1.00 0.00 H new ATOM 0 HA VAL A 73 5.366 -8.194 2.936 1.00 0.00 H new ATOM 0 HB VAL A 73 5.571 -10.789 2.224 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.339 -11.040 0.508 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.867 -10.311 -0.177 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.277 -9.289 0.192 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.978 -10.593 2.861 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.900 -8.837 2.584 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.953 -9.573 3.898 1.00 0.00 H new ATOM 1126 N VAL A 74 6.861 -7.248 0.851 1.00 0.00 N ATOM 1127 CA VAL A 74 7.288 -6.285 -0.200 1.00 0.00 C ATOM 1128 C VAL A 74 8.753 -6.571 -0.561 1.00 0.00 C ATOM 1129 O VAL A 74 9.552 -6.914 0.288 1.00 0.00 O ATOM 1130 CB VAL A 74 7.105 -4.848 0.330 1.00 0.00 C ATOM 1131 CG1 VAL A 74 8.442 -4.244 0.782 1.00 0.00 C ATOM 1132 CG2 VAL A 74 6.492 -3.976 -0.767 1.00 0.00 C ATOM 0 H VAL A 74 7.585 -7.515 1.518 1.00 0.00 H new ATOM 0 HA VAL A 74 6.682 -6.393 -1.100 1.00 0.00 H new ATOM 0 HB VAL A 74 6.441 -4.884 1.194 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.278 -3.231 1.150 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.866 -4.855 1.579 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.132 -4.216 -0.061 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.362 -2.960 -0.394 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.153 -3.963 -1.633 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.523 -4.383 -1.056 1.00 0.00 H new ATOM 1142 N GLU A 75 9.112 -6.442 -1.809 1.00 0.00 N ATOM 1143 CA GLU A 75 10.523 -6.720 -2.204 1.00 0.00 C ATOM 1144 C GLU A 75 11.153 -5.453 -2.780 1.00 0.00 C ATOM 1145 O GLU A 75 10.472 -4.497 -3.083 1.00 0.00 O ATOM 1146 CB GLU A 75 10.553 -7.832 -3.257 1.00 0.00 C ATOM 1147 CG GLU A 75 9.965 -7.312 -4.571 1.00 0.00 C ATOM 1148 CD GLU A 75 10.958 -7.559 -5.708 1.00 0.00 C ATOM 1149 OE1 GLU A 75 11.455 -8.669 -5.805 1.00 0.00 O ATOM 1150 OE2 GLU A 75 11.205 -6.633 -6.465 1.00 0.00 O ATOM 0 H GLU A 75 8.494 -6.158 -2.569 1.00 0.00 H new ATOM 0 HA GLU A 75 11.087 -7.038 -1.327 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.577 -8.170 -3.414 1.00 0.00 H new ATOM 0 HB3 GLU A 75 9.983 -8.693 -2.908 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.021 -7.814 -4.783 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.748 -6.247 -4.488 1.00 0.00 H new ATOM 1157 N ASP A 76 12.448 -5.438 -2.935 1.00 0.00 N ATOM 1158 CA ASP A 76 13.119 -4.231 -3.493 1.00 0.00 C ATOM 1159 C ASP A 76 12.834 -3.027 -2.593 1.00 0.00 C ATOM 1160 O ASP A 76 12.505 -1.978 -3.123 1.00 0.00 O ATOM 1161 CB ASP A 76 12.585 -3.956 -4.901 1.00 0.00 C ATOM 1162 CG ASP A 76 13.735 -4.026 -5.906 1.00 0.00 C ATOM 1163 OD1 ASP A 76 14.043 -5.120 -6.350 1.00 0.00 O ATOM 1164 OD2 ASP A 76 14.291 -2.985 -6.215 1.00 0.00 O ATOM 1165 OXT ASP A 76 12.951 -3.172 -1.387 1.00 0.00 O ATOM 0 H ASP A 76 13.071 -6.210 -2.699 1.00 0.00 H new ATOM 0 HA ASP A 76 14.195 -4.401 -3.540 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.818 -4.686 -5.159 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.115 -2.973 -4.938 1.00 0.00 H new