USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=7 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+ 152:sc= 0 (180deg=-0.197) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.056 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= -0.221 (180deg=-0.221) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.124 K(o=-0.12,f=-1.1) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 168:sc=-0.00354 (180deg=-0.407) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 81:sc= 1.1 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 162:sc= -2.04 (180deg=-3.07) USER MOD ----------------------------------------------------------------- ATOM 123 N PRO A 8 -8.255 7.913 0.374 1.00 0.00 N ATOM 124 CA PRO A 8 -8.689 6.583 0.832 1.00 0.00 C ATOM 125 C PRO A 8 -7.593 5.941 1.690 1.00 0.00 C ATOM 126 O PRO A 8 -6.501 6.462 1.786 1.00 0.00 O ATOM 127 CB PRO A 8 -8.889 5.805 -0.471 1.00 0.00 C ATOM 128 CG PRO A 8 -8.030 6.519 -1.543 1.00 0.00 C ATOM 129 CD PRO A 8 -7.770 7.944 -1.022 1.00 0.00 C ATOM 0 HA PRO A 8 -9.588 6.607 1.448 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.580 4.766 -0.354 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.940 5.794 -0.760 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.092 5.988 -1.704 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.549 6.546 -2.501 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.711 8.199 -1.070 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.304 8.688 -1.613 1.00 0.00 H new ATOM 137 N PRO A 9 -7.918 4.825 2.289 1.00 0.00 N ATOM 138 CA PRO A 9 -6.977 4.085 3.146 1.00 0.00 C ATOM 139 C PRO A 9 -5.992 3.286 2.287 1.00 0.00 C ATOM 140 O PRO A 9 -6.362 2.682 1.302 1.00 0.00 O ATOM 141 CB PRO A 9 -7.883 3.153 3.953 1.00 0.00 C ATOM 142 CG PRO A 9 -9.191 3.002 3.139 1.00 0.00 C ATOM 143 CD PRO A 9 -9.251 4.198 2.170 1.00 0.00 C ATOM 0 HA PRO A 9 -6.371 4.732 3.780 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -7.407 2.185 4.106 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.086 3.568 4.940 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.199 2.060 2.591 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.059 2.995 3.799 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.449 3.874 1.148 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.045 4.893 2.444 1.00 0.00 H new ATOM 151 N ALA A 10 -4.739 3.280 2.651 1.00 0.00 N ATOM 152 CA ALA A 10 -3.737 2.521 1.850 1.00 0.00 C ATOM 153 C ALA A 10 -3.994 1.019 2.002 1.00 0.00 C ATOM 154 O ALA A 10 -3.504 0.215 1.234 1.00 0.00 O ATOM 155 CB ALA A 10 -2.329 2.857 2.347 1.00 0.00 C ATOM 0 H ALA A 10 -4.366 3.767 3.466 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.824 2.797 0.799 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.595 2.303 1.762 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.149 3.926 2.235 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.239 2.582 3.398 1.00 0.00 H new ATOM 161 N ALA A 11 -4.763 0.635 2.986 1.00 0.00 N ATOM 162 CA ALA A 11 -5.055 -0.812 3.184 1.00 0.00 C ATOM 163 C ALA A 11 -6.117 -1.262 2.178 1.00 0.00 C ATOM 164 O ALA A 11 -6.457 -2.426 2.098 1.00 0.00 O ATOM 165 CB ALA A 11 -5.577 -1.035 4.606 1.00 0.00 C ATOM 0 H ALA A 11 -5.201 1.262 3.661 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.143 -1.390 3.033 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.791 -2.094 4.753 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.823 -0.714 5.325 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.489 -0.456 4.754 1.00 0.00 H new ATOM 171 N VAL A 12 -6.648 -0.348 1.413 1.00 0.00 N ATOM 172 CA VAL A 12 -7.690 -0.721 0.417 1.00 0.00 C ATOM 173 C VAL A 12 -7.084 -0.690 -0.990 1.00 0.00 C ATOM 174 O VAL A 12 -7.444 -1.468 -1.851 1.00 0.00 O ATOM 175 CB VAL A 12 -8.855 0.274 0.516 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.541 1.542 -0.285 1.00 0.00 C ATOM 177 CG2 VAL A 12 -10.125 -0.371 -0.037 1.00 0.00 C ATOM 0 H VAL A 12 -6.404 0.642 1.435 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.058 -1.727 0.619 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.001 0.542 1.562 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.376 2.238 -0.206 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.640 2.009 0.112 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.384 1.282 -1.332 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.952 0.335 0.033 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.969 -0.645 -1.081 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.361 -1.264 0.541 1.00 0.00 H new ATOM 187 N LEU A 13 -6.166 0.208 -1.227 1.00 0.00 N ATOM 188 CA LEU A 13 -5.534 0.296 -2.573 1.00 0.00 C ATOM 189 C LEU A 13 -4.334 -0.649 -2.635 1.00 0.00 C ATOM 190 O LEU A 13 -4.140 -1.360 -3.601 1.00 0.00 O ATOM 191 CB LEU A 13 -5.067 1.732 -2.818 1.00 0.00 C ATOM 192 CG LEU A 13 -6.279 2.625 -3.093 1.00 0.00 C ATOM 193 CD1 LEU A 13 -6.091 3.974 -2.395 1.00 0.00 C ATOM 194 CD2 LEU A 13 -6.415 2.846 -4.601 1.00 0.00 C ATOM 0 H LEU A 13 -5.826 0.886 -0.544 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.258 0.012 -3.337 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.520 2.101 -1.950 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.380 1.763 -3.664 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.179 2.143 -2.712 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.955 4.609 -2.592 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.993 3.817 -1.321 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.191 4.458 -2.775 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.278 3.482 -4.799 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.514 3.328 -4.981 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.550 1.886 -5.099 1.00 0.00 H new ATOM 206 N LEU A 14 -3.527 -0.666 -1.610 1.00 0.00 N ATOM 207 CA LEU A 14 -2.340 -1.566 -1.609 1.00 0.00 C ATOM 208 C LEU A 14 -2.781 -2.991 -1.950 1.00 0.00 C ATOM 209 O LEU A 14 -2.426 -3.533 -2.977 1.00 0.00 O ATOM 210 CB LEU A 14 -1.697 -1.550 -0.224 1.00 0.00 C ATOM 211 CG LEU A 14 -1.045 -0.189 0.013 1.00 0.00 C ATOM 212 CD1 LEU A 14 -0.421 -0.157 1.408 1.00 0.00 C ATOM 213 CD2 LEU A 14 0.040 0.038 -1.041 1.00 0.00 C ATOM 0 H LEU A 14 -3.639 -0.095 -0.772 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.619 -1.222 -2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.449 -1.744 0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.952 -2.342 -0.147 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.797 0.597 -0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.044 0.814 1.576 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.195 -0.323 2.157 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.334 -0.939 1.487 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.509 1.008 -0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.792 -0.747 -0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.407 0.015 -2.035 1.00 0.00 H new ATOM 225 N LYS A 15 -3.554 -3.598 -1.094 1.00 0.00 N ATOM 226 CA LYS A 15 -4.021 -4.986 -1.366 1.00 0.00 C ATOM 227 C LYS A 15 -4.541 -5.075 -2.802 1.00 0.00 C ATOM 228 O LYS A 15 -4.509 -6.120 -3.421 1.00 0.00 O ATOM 229 CB LYS A 15 -5.147 -5.341 -0.394 1.00 0.00 C ATOM 230 CG LYS A 15 -4.580 -6.150 0.773 1.00 0.00 C ATOM 231 CD LYS A 15 -5.671 -6.356 1.827 1.00 0.00 C ATOM 232 CE LYS A 15 -6.663 -7.412 1.335 1.00 0.00 C ATOM 233 NZ LYS A 15 -7.903 -6.742 0.851 1.00 0.00 N ATOM 0 H LYS A 15 -3.883 -3.193 -0.217 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.193 -5.683 -1.235 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.621 -4.432 -0.023 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.917 -5.916 -0.908 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.215 -7.114 0.418 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.729 -5.629 1.212 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.225 -6.672 2.770 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.189 -5.416 2.018 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.217 -7.999 0.532 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.902 -8.105 2.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.352 -7.330 0.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.562 -6.615 1.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.662 -5.814 0.449 1.00 0.00 H new ATOM 247 N LYS A 16 -5.019 -3.985 -3.336 1.00 0.00 N ATOM 248 CA LYS A 16 -5.542 -4.004 -4.732 1.00 0.00 C ATOM 249 C LYS A 16 -4.395 -4.301 -5.703 1.00 0.00 C ATOM 250 O LYS A 16 -4.435 -5.258 -6.451 1.00 0.00 O ATOM 251 CB LYS A 16 -6.155 -2.641 -5.061 1.00 0.00 C ATOM 252 CG LYS A 16 -7.364 -2.833 -5.979 1.00 0.00 C ATOM 253 CD LYS A 16 -8.429 -1.785 -5.650 1.00 0.00 C ATOM 254 CE LYS A 16 -9.069 -1.284 -6.946 1.00 0.00 C ATOM 255 NZ LYS A 16 -9.452 0.148 -6.791 1.00 0.00 N ATOM 0 H LYS A 16 -5.070 -3.081 -2.866 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.304 -4.778 -4.827 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.458 -2.136 -4.144 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.414 -2.005 -5.546 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.060 -2.742 -7.022 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.774 -3.835 -5.853 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.190 -2.216 -4.999 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.980 -0.953 -5.108 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.371 -1.397 -7.776 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.948 -1.883 -7.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.887 0.488 -7.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.132 0.243 -6.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.604 0.713 -6.583 1.00 0.00 H new ATOM 269 N ALA A 17 -3.374 -3.487 -5.699 1.00 0.00 N ATOM 270 CA ALA A 17 -2.227 -3.722 -6.624 1.00 0.00 C ATOM 271 C ALA A 17 -1.820 -5.195 -6.572 1.00 0.00 C ATOM 272 O ALA A 17 -1.824 -5.886 -7.572 1.00 0.00 O ATOM 273 CB ALA A 17 -1.042 -2.853 -6.201 1.00 0.00 C ATOM 0 H ALA A 17 -3.284 -2.670 -5.096 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.524 -3.463 -7.640 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.205 -3.025 -6.877 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.329 -1.802 -6.240 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.746 -3.111 -5.184 1.00 0.00 H new ATOM 279 N ALA A 18 -1.466 -5.682 -5.414 1.00 0.00 N ATOM 280 CA ALA A 18 -1.057 -7.111 -5.299 1.00 0.00 C ATOM 281 C ALA A 18 -2.028 -7.979 -6.098 1.00 0.00 C ATOM 282 O ALA A 18 -1.627 -8.829 -6.870 1.00 0.00 O ATOM 283 CB ALA A 18 -1.084 -7.535 -3.830 1.00 0.00 C ATOM 0 H ALA A 18 -1.442 -5.152 -4.543 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.048 -7.234 -5.691 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.785 -8.580 -3.747 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.394 -6.914 -3.259 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.093 -7.414 -3.435 1.00 0.00 H new ATOM 289 N GLY A 19 -3.304 -7.773 -5.920 1.00 0.00 N ATOM 290 CA GLY A 19 -4.304 -8.585 -6.670 1.00 0.00 C ATOM 291 C GLY A 19 -4.980 -9.575 -5.719 1.00 0.00 C ATOM 292 O GLY A 19 -5.792 -10.383 -6.123 1.00 0.00 O ATOM 0 H GLY A 19 -3.698 -7.077 -5.287 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.051 -7.933 -7.123 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.815 -9.122 -7.483 1.00 0.00 H new ATOM 485 N ALA A 33 1.808 -13.720 -1.340 1.00 0.00 N ATOM 486 CA ALA A 33 1.541 -12.530 -2.196 1.00 0.00 C ATOM 487 C ALA A 33 2.711 -11.551 -2.086 1.00 0.00 C ATOM 488 O ALA A 33 2.822 -10.809 -1.129 1.00 0.00 O ATOM 489 CB ALA A 33 0.256 -11.842 -1.732 1.00 0.00 C ATOM 0 HA ALA A 33 1.427 -12.848 -3.232 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.062 -10.972 -2.359 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.579 -12.539 -1.810 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.367 -11.524 -0.695 1.00 0.00 H new ATOM 495 N THR A 34 3.584 -11.542 -3.054 1.00 0.00 N ATOM 496 CA THR A 34 4.744 -10.611 -3.001 1.00 0.00 C ATOM 497 C THR A 34 4.446 -9.372 -3.847 1.00 0.00 C ATOM 498 O THR A 34 4.057 -9.469 -4.994 1.00 0.00 O ATOM 499 CB THR A 34 5.990 -11.316 -3.542 1.00 0.00 C ATOM 500 OG1 THR A 34 5.594 -12.410 -4.357 1.00 0.00 O ATOM 501 CG2 THR A 34 6.838 -11.827 -2.377 1.00 0.00 C ATOM 0 H THR A 34 3.544 -12.140 -3.880 1.00 0.00 H new ATOM 0 HA THR A 34 4.919 -10.308 -1.969 1.00 0.00 H new ATOM 0 HB THR A 34 6.577 -10.614 -4.133 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.390 -12.863 -4.706 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.725 -12.329 -2.765 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.141 -10.987 -1.751 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.254 -12.530 -1.783 1.00 0.00 H new ATOM 509 N ILE A 35 4.624 -8.205 -3.290 1.00 0.00 N ATOM 510 CA ILE A 35 4.350 -6.962 -4.063 1.00 0.00 C ATOM 511 C ILE A 35 5.670 -6.269 -4.400 1.00 0.00 C ATOM 512 O ILE A 35 6.430 -5.900 -3.526 1.00 0.00 O ATOM 513 CB ILE A 35 3.482 -6.022 -3.227 1.00 0.00 C ATOM 514 CG1 ILE A 35 2.090 -6.636 -3.054 1.00 0.00 C ATOM 515 CG2 ILE A 35 3.360 -4.672 -3.935 1.00 0.00 C ATOM 516 CD1 ILE A 35 1.141 -5.598 -2.449 1.00 0.00 C ATOM 0 H ILE A 35 4.947 -8.059 -2.334 1.00 0.00 H new ATOM 0 HA ILE A 35 3.827 -7.217 -4.985 1.00 0.00 H new ATOM 0 HB ILE A 35 3.941 -5.877 -2.249 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.709 -6.974 -4.017 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.146 -7.512 -2.408 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.741 -4.003 -3.338 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.351 -4.235 -4.059 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.901 -4.814 -4.913 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.151 -6.038 -2.327 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.520 -5.281 -1.477 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.076 -4.735 -3.112 1.00 0.00 H new ATOM 528 N LYS A 36 5.951 -6.091 -5.661 1.00 0.00 N ATOM 529 CA LYS A 36 7.222 -5.423 -6.053 1.00 0.00 C ATOM 530 C LYS A 36 7.227 -3.984 -5.531 1.00 0.00 C ATOM 531 O LYS A 36 6.191 -3.366 -5.380 1.00 0.00 O ATOM 532 CB LYS A 36 7.341 -5.413 -7.578 1.00 0.00 C ATOM 533 CG LYS A 36 7.667 -6.823 -8.074 1.00 0.00 C ATOM 534 CD LYS A 36 6.554 -7.306 -9.006 1.00 0.00 C ATOM 535 CE LYS A 36 6.879 -6.896 -10.444 1.00 0.00 C ATOM 536 NZ LYS A 36 5.847 -7.451 -11.364 1.00 0.00 N ATOM 0 H LYS A 36 5.355 -6.380 -6.437 1.00 0.00 H new ATOM 0 HA LYS A 36 8.065 -5.966 -5.625 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.409 -5.066 -8.024 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.121 -4.718 -7.888 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.622 -6.823 -8.600 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.768 -7.503 -7.228 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.454 -8.389 -8.939 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.599 -6.878 -8.702 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.908 -5.809 -10.526 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.866 -7.263 -10.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.068 -7.173 -12.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.840 -8.489 -11.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.912 -7.080 -11.101 1.00 0.00 H new ATOM 550 N ARG A 37 8.384 -3.443 -5.263 1.00 0.00 N ATOM 551 CA ARG A 37 8.454 -2.045 -4.763 1.00 0.00 C ATOM 552 C ARG A 37 8.156 -1.102 -5.923 1.00 0.00 C ATOM 553 O ARG A 37 7.646 -0.013 -5.743 1.00 0.00 O ATOM 554 CB ARG A 37 9.861 -1.767 -4.231 1.00 0.00 C ATOM 555 CG ARG A 37 9.768 -0.941 -2.948 1.00 0.00 C ATOM 556 CD ARG A 37 8.927 -1.694 -1.919 1.00 0.00 C ATOM 557 NE ARG A 37 9.714 -1.866 -0.666 1.00 0.00 N ATOM 558 CZ ARG A 37 9.607 -0.989 0.294 1.00 0.00 C ATOM 559 NH1 ARG A 37 8.427 -0.609 0.701 1.00 0.00 N ATOM 560 NH2 ARG A 37 10.680 -0.491 0.845 1.00 0.00 N ATOM 0 H ARG A 37 9.284 -3.911 -5.370 1.00 0.00 H new ATOM 0 HA ARG A 37 7.730 -1.895 -3.962 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.379 -2.706 -4.035 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.445 -1.231 -4.979 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.765 -0.752 -2.551 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.320 0.030 -3.159 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.009 -1.145 -1.712 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.635 -2.667 -2.314 1.00 0.00 H new ATOM 0 HE ARG A 37 10.335 -2.668 -0.559 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.589 -0.998 0.269 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.343 0.077 1.452 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.602 -0.787 0.525 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.597 0.195 1.596 1.00 0.00 H new ATOM 574 N ASP A 38 8.473 -1.518 -7.115 1.00 0.00 N ATOM 575 CA ASP A 38 8.215 -0.657 -8.297 1.00 0.00 C ATOM 576 C ASP A 38 6.707 -0.459 -8.465 1.00 0.00 C ATOM 577 O ASP A 38 6.262 0.382 -9.222 1.00 0.00 O ATOM 578 CB ASP A 38 8.784 -1.326 -9.551 1.00 0.00 C ATOM 579 CG ASP A 38 10.170 -0.752 -9.852 1.00 0.00 C ATOM 580 OD1 ASP A 38 11.131 -1.252 -9.290 1.00 0.00 O ATOM 581 OD2 ASP A 38 10.247 0.176 -10.639 1.00 0.00 O ATOM 0 H ASP A 38 8.901 -2.421 -7.321 1.00 0.00 H new ATOM 0 HA ASP A 38 8.695 0.311 -8.152 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.850 -2.404 -9.403 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.118 -1.160 -10.398 1.00 0.00 H new ATOM 586 N LYS A 39 5.917 -1.227 -7.766 1.00 0.00 N ATOM 587 CA LYS A 39 4.438 -1.083 -7.885 1.00 0.00 C ATOM 588 C LYS A 39 3.884 -0.435 -6.614 1.00 0.00 C ATOM 589 O LYS A 39 3.332 0.649 -6.647 1.00 0.00 O ATOM 590 CB LYS A 39 3.805 -2.464 -8.071 1.00 0.00 C ATOM 591 CG LYS A 39 3.305 -2.609 -9.510 1.00 0.00 C ATOM 592 CD LYS A 39 1.915 -1.978 -9.639 1.00 0.00 C ATOM 593 CE LYS A 39 0.885 -3.067 -9.946 1.00 0.00 C ATOM 594 NZ LYS A 39 0.501 -2.998 -11.385 1.00 0.00 N ATOM 0 H LYS A 39 6.232 -1.948 -7.117 1.00 0.00 H new ATOM 0 HA LYS A 39 4.202 -0.456 -8.745 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.535 -3.243 -7.848 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.978 -2.593 -7.373 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.000 -2.126 -10.197 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.264 -3.663 -9.787 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.651 -1.463 -8.715 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.916 -1.230 -10.432 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.299 -4.049 -9.716 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.004 -2.937 -9.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.199 -3.738 -11.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.090 -2.065 -11.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.344 -3.142 -11.977 1.00 0.00 H new ATOM 608 N VAL A 40 4.028 -1.088 -5.494 1.00 0.00 N ATOM 609 CA VAL A 40 3.509 -0.506 -4.226 1.00 0.00 C ATOM 610 C VAL A 40 4.001 0.940 -4.109 1.00 0.00 C ATOM 611 O VAL A 40 3.307 1.807 -3.619 1.00 0.00 O ATOM 612 CB VAL A 40 3.995 -1.361 -3.036 1.00 0.00 C ATOM 613 CG1 VAL A 40 5.210 -0.723 -2.347 1.00 0.00 C ATOM 614 CG2 VAL A 40 2.858 -1.504 -2.024 1.00 0.00 C ATOM 0 H VAL A 40 4.481 -1.997 -5.403 1.00 0.00 H new ATOM 0 HA VAL A 40 2.419 -0.505 -4.221 1.00 0.00 H new ATOM 0 HB VAL A 40 4.293 -2.338 -3.415 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.527 -1.350 -1.514 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.027 -0.630 -3.063 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.940 0.265 -1.975 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.195 -2.107 -1.181 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.561 -0.517 -1.669 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.006 -1.990 -2.500 1.00 0.00 H new ATOM 624 N ARG A 41 5.196 1.200 -4.562 1.00 0.00 N ATOM 625 CA ARG A 41 5.739 2.584 -4.488 1.00 0.00 C ATOM 626 C ARG A 41 4.885 3.511 -5.356 1.00 0.00 C ATOM 627 O ARG A 41 4.562 4.617 -4.971 1.00 0.00 O ATOM 628 CB ARG A 41 7.181 2.592 -4.999 1.00 0.00 C ATOM 629 CG ARG A 41 7.647 4.036 -5.199 1.00 0.00 C ATOM 630 CD ARG A 41 9.166 4.063 -5.376 1.00 0.00 C ATOM 631 NE ARG A 41 9.603 2.841 -6.108 1.00 0.00 N ATOM 632 CZ ARG A 41 10.842 2.436 -6.019 1.00 0.00 C ATOM 633 NH1 ARG A 41 11.203 1.651 -5.042 1.00 0.00 N ATOM 634 NH2 ARG A 41 11.717 2.815 -6.909 1.00 0.00 N ATOM 0 H ARG A 41 5.821 0.511 -4.981 1.00 0.00 H new ATOM 0 HA ARG A 41 5.718 2.930 -3.455 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.832 2.084 -4.288 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.247 2.044 -5.939 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.161 4.468 -6.074 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.359 4.644 -4.341 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.463 4.955 -5.927 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.655 4.112 -4.403 1.00 0.00 H new ATOM 0 HE ARG A 41 8.936 2.321 -6.678 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.518 1.353 -4.347 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.170 1.335 -4.973 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.434 3.427 -7.674 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.684 2.499 -6.840 1.00 0.00 H new ATOM 648 N GLU A 42 4.512 3.066 -6.525 1.00 0.00 N ATOM 649 CA GLU A 42 3.677 3.920 -7.416 1.00 0.00 C ATOM 650 C GLU A 42 2.421 4.361 -6.662 1.00 0.00 C ATOM 651 O GLU A 42 2.076 5.525 -6.638 1.00 0.00 O ATOM 652 CB GLU A 42 3.269 3.121 -8.657 1.00 0.00 C ATOM 653 CG GLU A 42 3.327 4.027 -9.890 1.00 0.00 C ATOM 654 CD GLU A 42 2.100 3.771 -10.768 1.00 0.00 C ATOM 655 OE1 GLU A 42 1.048 3.494 -10.217 1.00 0.00 O ATOM 656 OE2 GLU A 42 2.236 3.857 -11.978 1.00 0.00 O ATOM 0 H GLU A 42 4.749 2.148 -6.901 1.00 0.00 H new ATOM 0 HA GLU A 42 4.249 4.796 -7.721 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.934 2.268 -8.788 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.262 2.724 -8.532 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.358 5.073 -9.585 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.239 3.833 -10.455 1.00 0.00 H new ATOM 663 N ILE A 43 1.733 3.438 -6.048 1.00 0.00 N ATOM 664 CA ILE A 43 0.497 3.804 -5.298 1.00 0.00 C ATOM 665 C ILE A 43 0.849 4.795 -4.182 1.00 0.00 C ATOM 666 O ILE A 43 0.210 5.816 -4.023 1.00 0.00 O ATOM 667 CB ILE A 43 -0.125 2.538 -4.695 1.00 0.00 C ATOM 668 CG1 ILE A 43 -0.866 1.770 -5.793 1.00 0.00 C ATOM 669 CG2 ILE A 43 -1.115 2.917 -3.590 1.00 0.00 C ATOM 670 CD1 ILE A 43 -0.554 0.277 -5.677 1.00 0.00 C ATOM 0 H ILE A 43 1.973 2.447 -6.033 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.219 4.269 -5.976 1.00 0.00 H new ATOM 0 HB ILE A 43 0.664 1.916 -4.272 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.940 1.935 -5.705 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.567 2.139 -6.774 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.552 2.012 -3.167 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.593 3.468 -2.807 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.905 3.541 -4.008 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.083 -0.267 -6.460 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.519 0.120 -5.787 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.876 -0.087 -4.701 1.00 0.00 H new ATOM 682 N ALA A 44 1.856 4.500 -3.407 1.00 0.00 N ATOM 683 CA ALA A 44 2.245 5.422 -2.301 1.00 0.00 C ATOM 684 C ALA A 44 2.622 6.788 -2.876 1.00 0.00 C ATOM 685 O ALA A 44 2.584 7.791 -2.192 1.00 0.00 O ATOM 686 CB ALA A 44 3.444 4.838 -1.550 1.00 0.00 C ATOM 0 H ALA A 44 2.427 3.659 -3.491 1.00 0.00 H new ATOM 0 HA ALA A 44 1.405 5.538 -1.616 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.730 5.511 -0.741 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.176 3.866 -1.136 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.282 4.721 -2.237 1.00 0.00 H new ATOM 692 N GLU A 45 2.988 6.838 -4.128 1.00 0.00 N ATOM 693 CA GLU A 45 3.368 8.143 -4.738 1.00 0.00 C ATOM 694 C GLU A 45 2.114 8.842 -5.269 1.00 0.00 C ATOM 695 O GLU A 45 2.061 10.053 -5.364 1.00 0.00 O ATOM 696 CB GLU A 45 4.349 7.901 -5.887 1.00 0.00 C ATOM 697 CG GLU A 45 5.778 7.864 -5.337 1.00 0.00 C ATOM 698 CD GLU A 45 6.767 7.703 -6.493 1.00 0.00 C ATOM 699 OE1 GLU A 45 6.336 7.785 -7.630 1.00 0.00 O ATOM 700 OE2 GLU A 45 7.939 7.501 -6.219 1.00 0.00 O ATOM 0 H GLU A 45 3.040 6.034 -4.753 1.00 0.00 H new ATOM 0 HA GLU A 45 3.841 8.774 -3.986 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.116 6.961 -6.387 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.255 8.691 -6.633 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.991 8.781 -4.787 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.887 7.038 -4.634 1.00 0.00 H new ATOM 707 N LEU A 46 1.101 8.092 -5.610 1.00 0.00 N ATOM 708 CA LEU A 46 -0.147 8.721 -6.128 1.00 0.00 C ATOM 709 C LEU A 46 -0.887 9.397 -4.972 1.00 0.00 C ATOM 710 O LEU A 46 -1.542 10.406 -5.147 1.00 0.00 O ATOM 711 CB LEU A 46 -1.041 7.645 -6.750 1.00 0.00 C ATOM 712 CG LEU A 46 -0.922 7.699 -8.275 1.00 0.00 C ATOM 713 CD1 LEU A 46 -1.713 6.543 -8.891 1.00 0.00 C ATOM 714 CD2 LEU A 46 -1.484 9.028 -8.784 1.00 0.00 C ATOM 0 H LEU A 46 1.084 7.074 -5.552 1.00 0.00 H new ATOM 0 HA LEU A 46 0.103 9.464 -6.886 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.748 6.660 -6.387 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.077 7.801 -6.450 1.00 0.00 H new ATOM 0 HG LEU A 46 0.127 7.614 -8.560 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.628 6.582 -9.977 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.314 5.595 -8.529 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.762 6.627 -8.606 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.399 9.067 -9.870 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.533 9.113 -8.498 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.921 9.853 -8.347 1.00 0.00 H new ATOM 726 N LYS A 47 -0.786 8.852 -3.792 1.00 0.00 N ATOM 727 CA LYS A 47 -1.479 9.465 -2.622 1.00 0.00 C ATOM 728 C LYS A 47 -0.464 10.252 -1.793 1.00 0.00 C ATOM 729 O LYS A 47 -0.819 11.006 -0.910 1.00 0.00 O ATOM 730 CB LYS A 47 -2.105 8.374 -1.745 1.00 0.00 C ATOM 731 CG LYS A 47 -2.270 7.081 -2.549 1.00 0.00 C ATOM 732 CD LYS A 47 -3.408 6.252 -1.954 1.00 0.00 C ATOM 733 CE LYS A 47 -3.001 5.744 -0.569 1.00 0.00 C ATOM 734 NZ LYS A 47 -4.125 5.951 0.386 1.00 0.00 N ATOM 0 H LYS A 47 -0.253 8.007 -3.586 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.265 10.128 -2.982 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.476 8.192 -0.874 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.074 8.707 -1.374 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.483 7.314 -3.592 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.342 6.509 -2.533 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.312 6.857 -1.880 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.640 5.411 -2.608 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.743 4.686 -0.619 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.113 6.273 -0.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.849 5.606 1.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.351 6.965 0.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.961 5.427 0.057 1.00 0.00 H new ATOM 748 N MET A 48 0.800 10.075 -2.068 1.00 0.00 N ATOM 749 CA MET A 48 1.840 10.807 -1.293 1.00 0.00 C ATOM 750 C MET A 48 1.468 12.296 -1.194 1.00 0.00 C ATOM 751 O MET A 48 1.519 12.864 -0.122 1.00 0.00 O ATOM 752 CB MET A 48 3.212 10.634 -1.966 1.00 0.00 C ATOM 753 CG MET A 48 4.164 11.750 -1.523 1.00 0.00 C ATOM 754 SD MET A 48 5.787 11.043 -1.145 1.00 0.00 S ATOM 755 CE MET A 48 6.769 12.510 -1.539 1.00 0.00 C ATOM 0 H MET A 48 1.156 9.455 -2.796 1.00 0.00 H new ATOM 0 HA MET A 48 1.894 10.396 -0.285 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.633 9.663 -1.706 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.098 10.652 -3.050 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.256 12.498 -2.310 1.00 0.00 H new ATOM 0 HG3 MET A 48 3.763 12.258 -0.646 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.825 12.296 -1.374 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.613 12.783 -2.583 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.462 13.336 -0.898 1.00 0.00 H new ATOM 765 N PRO A 49 1.103 12.892 -2.307 1.00 0.00 N ATOM 766 CA PRO A 49 0.720 14.315 -2.345 1.00 0.00 C ATOM 767 C PRO A 49 -0.727 14.503 -1.870 1.00 0.00 C ATOM 768 O PRO A 49 -1.461 15.306 -2.410 1.00 0.00 O ATOM 769 CB PRO A 49 0.845 14.680 -3.825 1.00 0.00 C ATOM 770 CG PRO A 49 0.725 13.355 -4.613 1.00 0.00 C ATOM 771 CD PRO A 49 1.044 12.219 -3.623 1.00 0.00 C ATOM 0 HA PRO A 49 1.338 14.935 -1.696 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.063 15.379 -4.120 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.800 15.166 -4.026 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.278 13.239 -5.024 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.418 13.341 -5.454 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.275 11.447 -3.641 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.989 11.733 -3.865 1.00 0.00 H new ATOM 779 N ASP A 50 -1.150 13.771 -0.874 1.00 0.00 N ATOM 780 CA ASP A 50 -2.554 13.925 -0.394 1.00 0.00 C ATOM 781 C ASP A 50 -2.649 13.617 1.106 1.00 0.00 C ATOM 782 O ASP A 50 -3.465 14.181 1.809 1.00 0.00 O ATOM 783 CB ASP A 50 -3.459 12.965 -1.167 1.00 0.00 C ATOM 784 CG ASP A 50 -3.504 13.375 -2.641 1.00 0.00 C ATOM 785 OD1 ASP A 50 -4.063 14.421 -2.928 1.00 0.00 O ATOM 786 OD2 ASP A 50 -2.979 12.636 -3.458 1.00 0.00 O ATOM 0 H ASP A 50 -0.590 13.079 -0.376 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.872 14.954 -0.560 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.087 11.945 -1.074 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.464 12.977 -0.745 1.00 0.00 H new ATOM 791 N LEU A 51 -1.835 12.726 1.609 1.00 0.00 N ATOM 792 CA LEU A 51 -1.906 12.395 3.063 1.00 0.00 C ATOM 793 C LEU A 51 -0.711 13.010 3.798 1.00 0.00 C ATOM 794 O LEU A 51 -0.005 12.336 4.521 1.00 0.00 O ATOM 795 CB LEU A 51 -1.893 10.873 3.249 1.00 0.00 C ATOM 796 CG LEU A 51 -1.026 10.223 2.168 1.00 0.00 C ATOM 797 CD1 LEU A 51 0.404 10.756 2.273 1.00 0.00 C ATOM 798 CD2 LEU A 51 -1.018 8.706 2.367 1.00 0.00 C ATOM 0 H LEU A 51 -1.128 12.216 1.080 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.829 12.803 3.475 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.507 10.622 4.237 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.909 10.483 3.196 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.432 10.460 1.185 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.022 10.294 1.503 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.400 11.837 2.134 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.810 10.518 3.256 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.401 8.241 1.598 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.611 8.470 3.350 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.036 8.324 2.295 1.00 0.00 H new ATOM 810 N ASN A 52 -0.489 14.287 3.624 1.00 0.00 N ATOM 811 CA ASN A 52 0.652 14.961 4.313 1.00 0.00 C ATOM 812 C ASN A 52 1.875 14.041 4.324 1.00 0.00 C ATOM 813 O ASN A 52 2.219 13.462 5.335 1.00 0.00 O ATOM 814 CB ASN A 52 0.255 15.293 5.754 1.00 0.00 C ATOM 815 CG ASN A 52 -1.106 15.990 5.763 1.00 0.00 C ATOM 816 OD1 ASN A 52 -2.127 15.357 5.580 1.00 0.00 O ATOM 817 ND2 ASN A 52 -1.165 17.277 5.971 1.00 0.00 N ATOM 0 H ASN A 52 -1.053 14.896 3.031 1.00 0.00 H new ATOM 0 HA ASN A 52 0.898 15.878 3.778 1.00 0.00 H new ATOM 0 HB2 ASN A 52 0.212 14.381 6.349 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.007 15.936 6.210 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.068 17.751 5.980 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -0.308 17.809 6.125 1.00 0.00 H new ATOM 824 N ALA A 53 2.537 13.904 3.208 1.00 0.00 N ATOM 825 CA ALA A 53 3.739 13.023 3.158 1.00 0.00 C ATOM 826 C ALA A 53 4.974 13.869 2.837 1.00 0.00 C ATOM 827 O ALA A 53 5.199 14.249 1.705 1.00 0.00 O ATOM 828 CB ALA A 53 3.549 11.964 2.070 1.00 0.00 C ATOM 0 H ALA A 53 2.298 14.363 2.329 1.00 0.00 H new ATOM 0 HA ALA A 53 3.873 12.533 4.122 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.427 11.319 2.032 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.668 11.364 2.296 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.417 12.453 1.105 1.00 0.00 H new ATOM 834 N ALA A 54 5.774 14.169 3.824 1.00 0.00 N ATOM 835 CA ALA A 54 6.990 14.995 3.571 1.00 0.00 C ATOM 836 C ALA A 54 7.808 14.370 2.438 1.00 0.00 C ATOM 837 O ALA A 54 8.125 15.018 1.461 1.00 0.00 O ATOM 838 CB ALA A 54 7.840 15.053 4.842 1.00 0.00 C ATOM 0 H ALA A 54 5.639 13.879 4.793 1.00 0.00 H new ATOM 0 HA ALA A 54 6.690 16.004 3.287 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.729 15.656 4.658 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.259 15.500 5.648 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.139 14.044 5.126 1.00 0.00 H new ATOM 844 N SER A 55 8.153 13.119 2.562 1.00 0.00 N ATOM 845 CA SER A 55 8.951 12.457 1.490 1.00 0.00 C ATOM 846 C SER A 55 8.403 11.051 1.241 1.00 0.00 C ATOM 847 O SER A 55 7.455 10.624 1.869 1.00 0.00 O ATOM 848 CB SER A 55 10.414 12.366 1.926 1.00 0.00 C ATOM 849 OG SER A 55 10.480 12.359 3.346 1.00 0.00 O ATOM 0 H SER A 55 7.918 12.526 3.358 1.00 0.00 H new ATOM 0 HA SER A 55 8.882 13.041 0.572 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.870 11.461 1.525 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.977 13.210 1.528 1.00 0.00 H new ATOM 0 HG SER A 55 11.416 12.299 3.630 1.00 0.00 H new ATOM 855 N ILE A 56 8.993 10.325 0.330 1.00 0.00 N ATOM 856 CA ILE A 56 8.503 8.946 0.046 1.00 0.00 C ATOM 857 C ILE A 56 8.810 8.043 1.239 1.00 0.00 C ATOM 858 O ILE A 56 8.001 7.230 1.638 1.00 0.00 O ATOM 859 CB ILE A 56 9.192 8.404 -1.205 1.00 0.00 C ATOM 860 CG1 ILE A 56 8.461 7.150 -1.691 1.00 0.00 C ATOM 861 CG2 ILE A 56 10.647 8.054 -0.883 1.00 0.00 C ATOM 862 CD1 ILE A 56 7.309 7.557 -2.612 1.00 0.00 C ATOM 0 H ILE A 56 9.791 10.627 -0.229 1.00 0.00 H new ATOM 0 HA ILE A 56 7.426 8.969 -0.122 1.00 0.00 H new ATOM 0 HB ILE A 56 9.168 9.164 -1.986 1.00 0.00 H new ATOM 0 HG12 ILE A 56 9.152 6.496 -2.223 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.079 6.586 -0.840 1.00 0.00 H new ATOM 0 HG21 ILE A 56 11.135 7.668 -1.778 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.169 8.948 -0.542 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.674 7.297 -0.099 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.788 6.665 -2.959 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.614 8.194 -2.065 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.704 8.103 -3.469 1.00 0.00 H new ATOM 874 N GLU A 57 9.968 8.183 1.826 1.00 0.00 N ATOM 875 CA GLU A 57 10.299 7.334 3.001 1.00 0.00 C ATOM 876 C GLU A 57 9.141 7.417 3.992 1.00 0.00 C ATOM 877 O GLU A 57 8.925 6.532 4.795 1.00 0.00 O ATOM 878 CB GLU A 57 11.583 7.842 3.660 1.00 0.00 C ATOM 879 CG GLU A 57 12.747 7.707 2.677 1.00 0.00 C ATOM 880 CD GLU A 57 13.268 9.097 2.310 1.00 0.00 C ATOM 881 OE1 GLU A 57 12.667 9.729 1.457 1.00 0.00 O ATOM 882 OE2 GLU A 57 14.261 9.507 2.889 1.00 0.00 O ATOM 0 H GLU A 57 10.692 8.843 1.544 1.00 0.00 H new ATOM 0 HA GLU A 57 10.452 6.301 2.688 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.464 8.883 3.959 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.790 7.272 4.566 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.546 7.113 3.122 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.420 7.181 1.780 1.00 0.00 H new ATOM 889 N ALA A 58 8.385 8.481 3.929 1.00 0.00 N ATOM 890 CA ALA A 58 7.227 8.635 4.850 1.00 0.00 C ATOM 891 C ALA A 58 5.983 8.029 4.198 1.00 0.00 C ATOM 892 O ALA A 58 5.130 7.477 4.864 1.00 0.00 O ATOM 893 CB ALA A 58 6.987 10.120 5.127 1.00 0.00 C ATOM 0 H ALA A 58 8.522 9.252 3.275 1.00 0.00 H new ATOM 0 HA ALA A 58 7.435 8.123 5.789 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.138 10.232 5.802 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.876 10.553 5.587 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.776 10.635 4.190 1.00 0.00 H new ATOM 899 N ALA A 59 5.870 8.121 2.898 1.00 0.00 N ATOM 900 CA ALA A 59 4.677 7.541 2.215 1.00 0.00 C ATOM 901 C ALA A 59 4.873 6.031 2.060 1.00 0.00 C ATOM 902 O ALA A 59 4.189 5.235 2.681 1.00 0.00 O ATOM 903 CB ALA A 59 4.515 8.181 0.834 1.00 0.00 C ATOM 0 H ALA A 59 6.549 8.570 2.283 1.00 0.00 H new ATOM 0 HA ALA A 59 3.784 7.736 2.808 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.643 7.756 0.336 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.381 9.257 0.945 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.405 7.986 0.236 1.00 0.00 H new ATOM 909 N MET A 60 5.806 5.626 1.245 1.00 0.00 N ATOM 910 CA MET A 60 6.047 4.169 1.064 1.00 0.00 C ATOM 911 C MET A 60 6.115 3.502 2.438 1.00 0.00 C ATOM 912 O MET A 60 5.863 2.324 2.579 1.00 0.00 O ATOM 913 CB MET A 60 7.367 3.952 0.324 1.00 0.00 C ATOM 914 CG MET A 60 7.623 2.450 0.171 1.00 0.00 C ATOM 915 SD MET A 60 7.913 2.060 -1.573 1.00 0.00 S ATOM 916 CE MET A 60 9.524 2.871 -1.724 1.00 0.00 C ATOM 0 H MET A 60 6.410 6.239 0.698 1.00 0.00 H new ATOM 0 HA MET A 60 5.236 3.733 0.481 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.330 4.427 -0.656 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.185 4.418 0.873 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.485 2.155 0.769 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.769 1.885 0.544 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.993 2.577 -2.663 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.390 3.953 -1.709 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.161 2.573 -0.891 1.00 0.00 H new ATOM 926 N ARG A 61 6.450 4.251 3.454 1.00 0.00 N ATOM 927 CA ARG A 61 6.527 3.662 4.819 1.00 0.00 C ATOM 928 C ARG A 61 5.153 3.117 5.203 1.00 0.00 C ATOM 929 O ARG A 61 4.993 1.946 5.489 1.00 0.00 O ATOM 930 CB ARG A 61 6.945 4.742 5.820 1.00 0.00 C ATOM 931 CG ARG A 61 8.279 4.355 6.461 1.00 0.00 C ATOM 932 CD ARG A 61 8.413 5.052 7.816 1.00 0.00 C ATOM 933 NE ARG A 61 9.405 4.321 8.653 1.00 0.00 N ATOM 934 CZ ARG A 61 8.997 3.479 9.561 1.00 0.00 C ATOM 935 NH1 ARG A 61 7.805 2.955 9.477 1.00 0.00 N ATOM 936 NH2 ARG A 61 9.781 3.160 10.554 1.00 0.00 N ATOM 0 H ARG A 61 6.673 5.245 3.396 1.00 0.00 H new ATOM 0 HA ARG A 61 7.261 2.856 4.832 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.037 5.704 5.316 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.180 4.857 6.588 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.333 3.274 6.589 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.105 4.641 5.809 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.730 6.085 7.676 1.00 0.00 H new ATOM 0 HD3 ARG A 61 7.447 5.081 8.320 1.00 0.00 H new ATOM 0 HE ARG A 61 10.403 4.479 8.516 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.192 3.204 8.701 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.486 2.296 10.188 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.713 3.569 10.620 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.462 2.501 11.264 1.00 0.00 H new ATOM 950 N MET A 62 4.160 3.958 5.202 1.00 0.00 N ATOM 951 CA MET A 62 2.790 3.497 5.557 1.00 0.00 C ATOM 952 C MET A 62 2.396 2.353 4.621 1.00 0.00 C ATOM 953 O MET A 62 1.566 1.528 4.943 1.00 0.00 O ATOM 954 CB MET A 62 1.799 4.655 5.397 1.00 0.00 C ATOM 955 CG MET A 62 2.456 5.959 5.859 1.00 0.00 C ATOM 956 SD MET A 62 1.184 7.103 6.453 1.00 0.00 S ATOM 957 CE MET A 62 1.933 8.627 5.827 1.00 0.00 C ATOM 0 H MET A 62 4.237 4.948 4.970 1.00 0.00 H new ATOM 0 HA MET A 62 2.772 3.153 6.591 1.00 0.00 H new ATOM 0 HB2 MET A 62 1.489 4.741 4.355 1.00 0.00 H new ATOM 0 HB3 MET A 62 0.900 4.461 5.982 1.00 0.00 H new ATOM 0 HG2 MET A 62 3.175 5.755 6.653 1.00 0.00 H new ATOM 0 HG3 MET A 62 3.010 6.411 5.036 1.00 0.00 H new ATOM 0 HE1 MET A 62 1.301 9.476 6.087 1.00 0.00 H new ATOM 0 HE2 MET A 62 2.919 8.758 6.274 1.00 0.00 H new ATOM 0 HE3 MET A 62 2.031 8.566 4.743 1.00 0.00 H new ATOM 967 N ILE A 63 2.991 2.303 3.459 1.00 0.00 N ATOM 968 CA ILE A 63 2.659 1.218 2.492 1.00 0.00 C ATOM 969 C ILE A 63 3.301 -0.099 2.940 1.00 0.00 C ATOM 970 O ILE A 63 2.736 -1.157 2.768 1.00 0.00 O ATOM 971 CB ILE A 63 3.185 1.597 1.105 1.00 0.00 C ATOM 972 CG1 ILE A 63 2.532 2.906 0.636 1.00 0.00 C ATOM 973 CG2 ILE A 63 2.859 0.483 0.109 1.00 0.00 C ATOM 974 CD1 ILE A 63 1.057 2.947 1.054 1.00 0.00 C ATOM 0 H ILE A 63 3.694 2.969 3.138 1.00 0.00 H new ATOM 0 HA ILE A 63 1.577 1.091 2.453 1.00 0.00 H new ATOM 0 HB ILE A 63 4.265 1.733 1.161 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.062 3.758 1.063 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.612 2.992 -0.448 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.235 0.755 -0.877 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.331 -0.445 0.433 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.779 0.343 0.060 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.608 3.881 0.714 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.528 2.106 0.605 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.985 2.884 2.140 1.00 0.00 H new ATOM 986 N GLU A 64 4.471 -0.047 3.513 1.00 0.00 N ATOM 987 CA GLU A 64 5.129 -1.308 3.963 1.00 0.00 C ATOM 988 C GLU A 64 4.593 -1.700 5.341 1.00 0.00 C ATOM 989 O GLU A 64 4.699 -2.835 5.759 1.00 0.00 O ATOM 990 CB GLU A 64 6.643 -1.101 4.042 1.00 0.00 C ATOM 991 CG GLU A 64 7.353 -2.289 3.388 1.00 0.00 C ATOM 992 CD GLU A 64 8.867 -2.071 3.434 1.00 0.00 C ATOM 993 OE1 GLU A 64 9.280 -1.022 3.900 1.00 0.00 O ATOM 994 OE2 GLU A 64 9.587 -2.956 3.003 1.00 0.00 O ATOM 0 H GLU A 64 4.999 0.808 3.689 1.00 0.00 H new ATOM 0 HA GLU A 64 4.912 -2.102 3.249 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.921 -0.175 3.539 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.954 -1.005 5.082 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.092 -3.212 3.906 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.023 -2.399 2.355 1.00 0.00 H new ATOM 1001 N GLY A 65 4.013 -0.770 6.048 1.00 0.00 N ATOM 1002 CA GLY A 65 3.467 -1.093 7.396 1.00 0.00 C ATOM 1003 C GLY A 65 2.053 -1.655 7.250 1.00 0.00 C ATOM 1004 O GLY A 65 1.659 -2.563 7.955 1.00 0.00 O ATOM 0 H GLY A 65 3.894 0.198 5.751 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.109 -1.818 7.896 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.452 -0.198 8.018 1.00 0.00 H new ATOM 1008 N THR A 66 1.285 -1.121 6.340 1.00 0.00 N ATOM 1009 CA THR A 66 -0.105 -1.622 6.146 1.00 0.00 C ATOM 1010 C THR A 66 -0.103 -2.751 5.113 1.00 0.00 C ATOM 1011 O THR A 66 -0.963 -3.609 5.115 1.00 0.00 O ATOM 1012 CB THR A 66 -0.995 -0.479 5.652 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.674 0.708 6.364 1.00 0.00 O ATOM 1014 CG2 THR A 66 -2.464 -0.835 5.886 1.00 0.00 C ATOM 0 H THR A 66 1.561 -0.358 5.722 1.00 0.00 H new ATOM 0 HA THR A 66 -0.490 -1.999 7.093 1.00 0.00 H new ATOM 0 HB THR A 66 -0.828 -0.322 4.586 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.121 1.122 5.968 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.096 -0.020 5.534 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.709 -1.746 5.340 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.635 -0.993 6.951 1.00 0.00 H new ATOM 1022 N ALA A 67 0.858 -2.758 4.229 1.00 0.00 N ATOM 1023 CA ALA A 67 0.913 -3.833 3.199 1.00 0.00 C ATOM 1024 C ALA A 67 1.645 -5.050 3.768 1.00 0.00 C ATOM 1025 O ALA A 67 2.037 -5.943 3.044 1.00 0.00 O ATOM 1026 CB ALA A 67 1.661 -3.321 1.965 1.00 0.00 C ATOM 0 H ALA A 67 1.606 -2.067 4.176 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.101 -4.117 2.918 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.701 -4.108 1.212 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.140 -2.454 1.557 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.675 -3.036 2.246 1.00 0.00 H new ATOM 1032 N ARG A 68 1.837 -5.092 5.057 1.00 0.00 N ATOM 1033 CA ARG A 68 2.547 -6.252 5.664 1.00 0.00 C ATOM 1034 C ARG A 68 1.713 -6.833 6.810 1.00 0.00 C ATOM 1035 O ARG A 68 1.794 -8.008 7.113 1.00 0.00 O ATOM 1036 CB ARG A 68 3.902 -5.791 6.204 1.00 0.00 C ATOM 1037 CG ARG A 68 3.688 -4.909 7.436 1.00 0.00 C ATOM 1038 CD ARG A 68 3.538 -5.794 8.673 1.00 0.00 C ATOM 1039 NE ARG A 68 4.442 -5.304 9.750 1.00 0.00 N ATOM 1040 CZ ARG A 68 3.993 -5.170 10.967 1.00 0.00 C ATOM 1041 NH1 ARG A 68 3.759 -6.226 11.696 1.00 0.00 N ATOM 1042 NH2 ARG A 68 3.775 -3.979 11.455 1.00 0.00 N ATOM 0 H ARG A 68 1.534 -4.374 5.715 1.00 0.00 H new ATOM 0 HA ARG A 68 2.695 -7.020 4.904 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.515 -6.654 6.464 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.442 -5.237 5.436 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.531 -4.229 7.561 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.798 -4.293 7.306 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.504 -5.782 9.018 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.779 -6.828 8.424 1.00 0.00 H new ATOM 0 HE ARG A 68 5.412 -5.073 9.536 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.927 -7.157 11.314 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.408 -6.121 12.648 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.956 -3.153 10.884 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.424 -3.874 12.407 1.00 0.00 H new ATOM 1056 N SER A 69 0.915 -6.025 7.453 1.00 0.00 N ATOM 1057 CA SER A 69 0.086 -6.537 8.581 1.00 0.00 C ATOM 1058 C SER A 69 -1.041 -7.417 8.033 1.00 0.00 C ATOM 1059 O SER A 69 -1.722 -8.099 8.773 1.00 0.00 O ATOM 1060 CB SER A 69 -0.516 -5.359 9.347 1.00 0.00 C ATOM 1061 OG SER A 69 -0.579 -5.680 10.731 1.00 0.00 O ATOM 0 H SER A 69 0.801 -5.033 7.246 1.00 0.00 H new ATOM 0 HA SER A 69 0.712 -7.126 9.251 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.090 -4.465 9.197 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.513 -5.136 8.968 1.00 0.00 H new ATOM 0 HG SER A 69 -0.963 -4.926 11.225 1.00 0.00 H new ATOM 1067 N MET A 70 -1.244 -7.409 6.743 1.00 0.00 N ATOM 1068 CA MET A 70 -2.329 -8.246 6.156 1.00 0.00 C ATOM 1069 C MET A 70 -1.746 -9.581 5.686 1.00 0.00 C ATOM 1070 O MET A 70 -2.454 -10.555 5.524 1.00 0.00 O ATOM 1071 CB MET A 70 -2.950 -7.513 4.964 1.00 0.00 C ATOM 1072 CG MET A 70 -3.008 -6.015 5.261 1.00 0.00 C ATOM 1073 SD MET A 70 -4.681 -5.402 4.940 1.00 0.00 S ATOM 1074 CE MET A 70 -4.225 -4.118 3.750 1.00 0.00 C ATOM 0 H MET A 70 -0.707 -6.860 6.072 1.00 0.00 H new ATOM 0 HA MET A 70 -3.095 -8.429 6.910 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.361 -7.694 4.065 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.952 -7.895 4.770 1.00 0.00 H new ATOM 0 HG2 MET A 70 -2.733 -5.828 6.299 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.288 -5.482 4.640 1.00 0.00 H new ATOM 0 HE1 MET A 70 -5.105 -3.822 3.179 1.00 0.00 H new ATOM 0 HE2 MET A 70 -3.829 -3.253 4.282 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.465 -4.505 3.071 1.00 0.00 H new ATOM 1084 N GLY A 71 -0.462 -9.632 5.464 1.00 0.00 N ATOM 1085 CA GLY A 71 0.165 -10.902 5.002 1.00 0.00 C ATOM 1086 C GLY A 71 0.832 -10.679 3.644 1.00 0.00 C ATOM 1087 O GLY A 71 1.177 -11.613 2.949 1.00 0.00 O ATOM 0 H GLY A 71 0.181 -8.849 5.583 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.902 -11.241 5.730 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.589 -11.685 4.924 1.00 0.00 H new ATOM 1091 N ILE A 72 1.015 -9.445 3.259 1.00 0.00 N ATOM 1092 CA ILE A 72 1.657 -9.162 1.946 1.00 0.00 C ATOM 1093 C ILE A 72 3.087 -8.668 2.172 1.00 0.00 C ATOM 1094 O ILE A 72 3.347 -7.881 3.060 1.00 0.00 O ATOM 1095 CB ILE A 72 0.856 -8.086 1.211 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.596 -8.546 1.058 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.465 -7.853 -0.173 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.514 -7.326 0.975 1.00 0.00 C ATOM 0 H ILE A 72 0.747 -8.621 3.798 1.00 0.00 H new ATOM 0 HA ILE A 72 1.679 -10.073 1.348 1.00 0.00 H new ATOM 0 HB ILE A 72 0.885 -7.158 1.782 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.702 -9.156 0.161 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.881 -9.171 1.904 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.894 -7.086 -0.697 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.499 -7.526 -0.065 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.436 -8.781 -0.744 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.547 -7.655 0.866 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.416 -6.734 1.885 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.234 -6.718 0.115 1.00 0.00 H new ATOM 1110 N VAL A 73 4.016 -9.119 1.375 1.00 0.00 N ATOM 1111 CA VAL A 73 5.424 -8.665 1.547 1.00 0.00 C ATOM 1112 C VAL A 73 5.754 -7.640 0.457 1.00 0.00 C ATOM 1113 O VAL A 73 4.953 -7.371 -0.415 1.00 0.00 O ATOM 1114 CB VAL A 73 6.370 -9.877 1.463 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.841 -10.105 0.022 1.00 0.00 C ATOM 1116 CG2 VAL A 73 7.586 -9.627 2.356 1.00 0.00 C ATOM 0 H VAL A 73 3.861 -9.780 0.614 1.00 0.00 H new ATOM 0 HA VAL A 73 5.552 -8.197 2.523 1.00 0.00 H new ATOM 0 HB VAL A 73 5.830 -10.764 1.796 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.508 -10.967 -0.011 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.978 -10.290 -0.618 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.372 -9.221 -0.331 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.260 -10.482 2.301 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.108 -8.731 2.018 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.258 -9.489 3.386 1.00 0.00 H new ATOM 1126 N VAL A 74 6.926 -7.068 0.496 1.00 0.00 N ATOM 1127 CA VAL A 74 7.291 -6.067 -0.544 1.00 0.00 C ATOM 1128 C VAL A 74 8.784 -6.211 -0.874 1.00 0.00 C ATOM 1129 O VAL A 74 9.617 -6.297 0.005 1.00 0.00 O ATOM 1130 CB VAL A 74 6.966 -4.651 -0.021 1.00 0.00 C ATOM 1131 CG1 VAL A 74 8.229 -3.937 0.478 1.00 0.00 C ATOM 1132 CG2 VAL A 74 6.330 -3.830 -1.145 1.00 0.00 C ATOM 0 H VAL A 74 7.643 -7.249 1.199 1.00 0.00 H new ATOM 0 HA VAL A 74 6.718 -6.234 -1.456 1.00 0.00 H new ATOM 0 HB VAL A 74 6.274 -4.746 0.816 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.966 -2.943 0.839 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.675 -4.512 1.289 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.944 -3.848 -0.340 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.099 -2.830 -0.779 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.025 -3.759 -1.982 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.412 -4.316 -1.476 1.00 0.00 H new ATOM 1142 N GLU A 75 9.126 -6.243 -2.133 1.00 0.00 N ATOM 1143 CA GLU A 75 10.560 -6.388 -2.510 1.00 0.00 C ATOM 1144 C GLU A 75 11.252 -5.025 -2.437 1.00 0.00 C ATOM 1145 O GLU A 75 10.613 -4.000 -2.304 1.00 0.00 O ATOM 1146 CB GLU A 75 10.660 -6.937 -3.934 1.00 0.00 C ATOM 1147 CG GLU A 75 11.737 -8.023 -3.988 1.00 0.00 C ATOM 1148 CD GLU A 75 12.982 -7.472 -4.683 1.00 0.00 C ATOM 1149 OE1 GLU A 75 12.829 -6.832 -5.710 1.00 0.00 O ATOM 1150 OE2 GLU A 75 14.068 -7.699 -4.176 1.00 0.00 O ATOM 0 H GLU A 75 8.475 -6.175 -2.916 1.00 0.00 H new ATOM 0 HA GLU A 75 11.047 -7.077 -1.820 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.699 -7.347 -4.245 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.904 -6.133 -4.629 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.986 -8.353 -2.980 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.363 -8.895 -4.525 1.00 0.00 H new ATOM 1157 N ASP A 76 12.554 -5.006 -2.523 1.00 0.00 N ATOM 1158 CA ASP A 76 13.288 -3.711 -2.457 1.00 0.00 C ATOM 1159 C ASP A 76 14.190 -3.573 -3.685 1.00 0.00 C ATOM 1160 O ASP A 76 15.092 -4.381 -3.828 1.00 0.00 O ATOM 1161 CB ASP A 76 14.143 -3.675 -1.188 1.00 0.00 C ATOM 1162 CG ASP A 76 13.297 -3.168 -0.019 1.00 0.00 C ATOM 1163 OD1 ASP A 76 12.468 -3.924 0.459 1.00 0.00 O ATOM 1164 OD2 ASP A 76 13.495 -2.032 0.381 1.00 0.00 O ATOM 1165 OXT ASP A 76 13.963 -2.659 -4.462 1.00 0.00 O ATOM 0 H ASP A 76 13.141 -5.832 -2.636 1.00 0.00 H new ATOM 0 HA ASP A 76 12.574 -2.888 -2.438 1.00 0.00 H new ATOM 0 HB2 ASP A 76 14.528 -4.671 -0.968 1.00 0.00 H new ATOM 0 HB3 ASP A 76 15.005 -3.025 -1.336 1.00 0.00 H new