USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 445 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 15 LYS NZ :NH3+ 152:sc= 0.181 (180deg=0.0178) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 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+ -141:sc= -2.38 (180deg=-3.94!) USER MOD Single : A 48 MET CE :methyl -171:sc= -1.2 (180deg=-1.41) USER MOD Single : A 52 ASN : amide:sc= -0.265 K(o=-0.27,f=-1.2!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 161:sc=-0.00572 (180deg=-0.477) USER MOD Single : A 62 MET CE :methyl -117:sc= -1.55 (180deg=-3.95!) USER MOD Single : A 66 THR OG1 : rot 76:sc= 1.2 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl -161:sc= -2.5 (180deg=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 123 N PRO A 8 -8.418 7.663 -1.818 1.00 0.00 N ATOM 124 CA PRO A 8 -8.805 6.518 -0.974 1.00 0.00 C ATOM 125 C PRO A 8 -7.688 6.185 0.021 1.00 0.00 C ATOM 126 O PRO A 8 -6.625 6.772 -0.026 1.00 0.00 O ATOM 127 CB PRO A 8 -8.998 5.381 -1.981 1.00 0.00 C ATOM 128 CG PRO A 8 -8.179 5.764 -3.237 1.00 0.00 C ATOM 129 CD PRO A 8 -7.964 7.288 -3.174 1.00 0.00 C ATOM 0 HA PRO A 8 -9.696 6.707 -0.376 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.653 4.433 -1.567 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.052 5.256 -2.228 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.224 5.238 -3.252 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.711 5.485 -4.146 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.917 7.549 -3.330 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.539 7.803 -3.943 1.00 0.00 H new ATOM 137 N PRO A 9 -7.966 5.250 0.894 1.00 0.00 N ATOM 138 CA PRO A 9 -7.002 4.811 1.917 1.00 0.00 C ATOM 139 C PRO A 9 -5.959 3.875 1.298 1.00 0.00 C ATOM 140 O PRO A 9 -6.176 3.291 0.256 1.00 0.00 O ATOM 141 CB PRO A 9 -7.870 4.070 2.936 1.00 0.00 C ATOM 142 CG PRO A 9 -9.150 3.634 2.183 1.00 0.00 C ATOM 143 CD PRO A 9 -9.263 4.542 0.943 1.00 0.00 C ATOM 0 HA PRO A 9 -6.444 5.634 2.364 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -7.343 3.205 3.340 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.116 4.715 3.779 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.089 2.586 1.891 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.028 3.737 2.820 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.434 3.960 0.037 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.095 5.240 1.035 1.00 0.00 H new ATOM 151 N ALA A 10 -4.828 3.730 1.934 1.00 0.00 N ATOM 152 CA ALA A 10 -3.772 2.834 1.382 1.00 0.00 C ATOM 153 C ALA A 10 -4.093 1.381 1.740 1.00 0.00 C ATOM 154 O ALA A 10 -3.455 0.460 1.271 1.00 0.00 O ATOM 155 CB ALA A 10 -2.416 3.219 1.977 1.00 0.00 C ATOM 0 H ALA A 10 -4.590 4.193 2.811 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.737 2.940 0.298 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.643 2.565 1.574 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.186 4.253 1.720 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.451 3.114 3.061 1.00 0.00 H new ATOM 161 N ALA A 11 -5.077 1.166 2.570 1.00 0.00 N ATOM 162 CA ALA A 11 -5.434 -0.229 2.955 1.00 0.00 C ATOM 163 C ALA A 11 -6.447 -0.792 1.956 1.00 0.00 C ATOM 164 O ALA A 11 -7.049 -1.822 2.183 1.00 0.00 O ATOM 165 CB ALA A 11 -6.049 -0.228 4.356 1.00 0.00 C ATOM 0 H ALA A 11 -5.648 1.895 2.998 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.537 -0.848 2.950 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -6.311 -1.248 4.639 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.329 0.173 5.069 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.946 0.391 4.359 1.00 0.00 H new ATOM 171 N VAL A 12 -6.642 -0.123 0.852 1.00 0.00 N ATOM 172 CA VAL A 12 -7.617 -0.618 -0.157 1.00 0.00 C ATOM 173 C VAL A 12 -6.950 -0.668 -1.534 1.00 0.00 C ATOM 174 O VAL A 12 -7.270 -1.502 -2.359 1.00 0.00 O ATOM 175 CB VAL A 12 -8.815 0.329 -0.204 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.334 1.751 -0.500 1.00 0.00 C ATOM 177 CG2 VAL A 12 -9.773 -0.120 -1.306 1.00 0.00 C ATOM 0 H VAL A 12 -6.167 0.746 0.607 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.951 -1.619 0.117 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.328 0.312 0.758 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.190 2.425 -0.533 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.648 2.074 0.283 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.821 1.769 -1.461 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.629 0.554 -1.341 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.257 -0.102 -2.266 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.118 -1.133 -1.098 1.00 0.00 H new ATOM 187 N LEU A 13 -6.028 0.219 -1.792 1.00 0.00 N ATOM 188 CA LEU A 13 -5.347 0.220 -3.117 1.00 0.00 C ATOM 189 C LEU A 13 -4.152 -0.734 -3.082 1.00 0.00 C ATOM 190 O LEU A 13 -3.880 -1.437 -4.036 1.00 0.00 O ATOM 191 CB LEU A 13 -4.863 1.637 -3.437 1.00 0.00 C ATOM 192 CG LEU A 13 -5.995 2.425 -4.100 1.00 0.00 C ATOM 193 CD1 LEU A 13 -5.510 3.841 -4.417 1.00 0.00 C ATOM 194 CD2 LEU A 13 -6.413 1.725 -5.394 1.00 0.00 C ATOM 0 H LEU A 13 -5.717 0.942 -1.143 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.047 -0.109 -3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.543 2.138 -2.524 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.998 1.597 -4.099 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.849 2.476 -3.424 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.315 4.404 -4.889 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.212 4.339 -3.494 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.657 3.790 -5.094 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.219 2.286 -5.867 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.561 1.674 -6.072 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.757 0.716 -5.167 1.00 0.00 H new ATOM 206 N LEU A 14 -3.437 -0.772 -1.990 1.00 0.00 N ATOM 207 CA LEU A 14 -2.264 -1.687 -1.903 1.00 0.00 C ATOM 208 C LEU A 14 -2.732 -3.126 -2.116 1.00 0.00 C ATOM 209 O LEU A 14 -2.232 -3.830 -2.970 1.00 0.00 O ATOM 210 CB LEU A 14 -1.613 -1.562 -0.525 1.00 0.00 C ATOM 211 CG LEU A 14 -1.163 -0.117 -0.302 1.00 0.00 C ATOM 212 CD1 LEU A 14 -0.385 -0.021 1.012 1.00 0.00 C ATOM 213 CD2 LEU A 14 -0.265 0.321 -1.460 1.00 0.00 C ATOM 0 H LEU A 14 -3.614 -0.211 -1.157 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.537 -1.419 -2.669 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.319 -1.858 0.251 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.759 -2.235 -0.452 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.037 0.532 -0.254 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.064 1.009 1.171 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.025 -0.333 1.837 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.489 -0.670 0.965 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.056 1.351 -1.302 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.609 -0.328 -1.508 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.819 0.253 -2.396 1.00 0.00 H new ATOM 225 N LYS A 15 -3.692 -3.567 -1.350 1.00 0.00 N ATOM 226 CA LYS A 15 -4.194 -4.958 -1.515 1.00 0.00 C ATOM 227 C LYS A 15 -4.683 -5.146 -2.952 1.00 0.00 C ATOM 228 O LYS A 15 -4.736 -6.246 -3.463 1.00 0.00 O ATOM 229 CB LYS A 15 -5.350 -5.202 -0.544 1.00 0.00 C ATOM 230 CG LYS A 15 -4.790 -5.528 0.841 1.00 0.00 C ATOM 231 CD LYS A 15 -5.834 -5.191 1.908 1.00 0.00 C ATOM 232 CE LYS A 15 -6.108 -6.430 2.763 1.00 0.00 C ATOM 233 NZ LYS A 15 -7.150 -6.111 3.780 1.00 0.00 N ATOM 0 H LYS A 15 -4.149 -3.024 -0.618 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.393 -5.666 -1.305 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.988 -4.320 -0.492 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.971 -6.024 -0.900 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.524 -6.584 0.898 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.877 -4.960 1.018 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.477 -4.374 2.536 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.756 -4.851 1.436 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.441 -7.254 2.132 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.192 -6.755 3.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.671 -6.977 4.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.696 -5.726 4.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.810 -5.408 3.392 1.00 0.00 H new ATOM 247 N LYS A 16 -5.038 -4.074 -3.607 1.00 0.00 N ATOM 248 CA LYS A 16 -5.520 -4.183 -5.012 1.00 0.00 C ATOM 249 C LYS A 16 -4.337 -4.506 -5.928 1.00 0.00 C ATOM 250 O LYS A 16 -4.450 -5.284 -6.854 1.00 0.00 O ATOM 251 CB LYS A 16 -6.143 -2.851 -5.437 1.00 0.00 C ATOM 252 CG LYS A 16 -7.451 -3.114 -6.187 1.00 0.00 C ATOM 253 CD LYS A 16 -7.581 -2.125 -7.348 1.00 0.00 C ATOM 254 CE LYS A 16 -6.806 -2.650 -8.557 1.00 0.00 C ATOM 255 NZ LYS A 16 -5.732 -1.683 -8.918 1.00 0.00 N ATOM 0 H LYS A 16 -5.015 -3.127 -3.229 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.266 -4.975 -5.085 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.332 -2.230 -4.561 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.451 -2.301 -6.074 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.468 -4.137 -6.563 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.298 -3.010 -5.510 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.631 -1.989 -7.607 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.196 -1.149 -7.052 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.372 -3.623 -8.329 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.481 -2.792 -9.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.205 -2.040 -9.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.157 -0.763 -9.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.083 -1.569 -8.114 1.00 0.00 H new ATOM 269 N ALA A 17 -3.202 -3.914 -5.673 1.00 0.00 N ATOM 270 CA ALA A 17 -2.012 -4.185 -6.528 1.00 0.00 C ATOM 271 C ALA A 17 -1.705 -5.684 -6.513 1.00 0.00 C ATOM 272 O ALA A 17 -1.827 -6.362 -7.514 1.00 0.00 O ATOM 273 CB ALA A 17 -0.809 -3.410 -5.986 1.00 0.00 C ATOM 0 H ALA A 17 -3.048 -3.255 -4.910 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.217 -3.867 -7.550 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.062 -3.607 -6.611 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.029 -2.342 -5.997 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.602 -3.727 -4.964 1.00 0.00 H new ATOM 279 N ALA A 18 -1.309 -6.208 -5.385 1.00 0.00 N ATOM 280 CA ALA A 18 -0.995 -7.662 -5.310 1.00 0.00 C ATOM 281 C ALA A 18 -2.174 -8.465 -5.862 1.00 0.00 C ATOM 282 O ALA A 18 -2.019 -9.283 -6.748 1.00 0.00 O ATOM 283 CB ALA A 18 -0.749 -8.058 -3.853 1.00 0.00 C ATOM 0 H ALA A 18 -1.190 -5.692 -4.513 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.102 -7.871 -5.899 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.519 -9.122 -3.799 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.090 -7.485 -3.457 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.642 -7.849 -3.263 1.00 0.00 H new ATOM 289 N GLY A 19 -3.351 -8.237 -5.348 1.00 0.00 N ATOM 290 CA GLY A 19 -4.539 -8.987 -5.846 1.00 0.00 C ATOM 291 C GLY A 19 -5.216 -9.708 -4.679 1.00 0.00 C ATOM 292 O GLY A 19 -5.845 -10.733 -4.853 1.00 0.00 O ATOM 0 H GLY A 19 -3.542 -7.564 -4.605 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.242 -8.302 -6.320 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.235 -9.708 -6.605 1.00 0.00 H new ATOM 485 N ALA A 33 1.004 -13.606 -1.574 1.00 0.00 N ATOM 486 CA ALA A 33 1.018 -12.492 -2.566 1.00 0.00 C ATOM 487 C ALA A 33 2.308 -11.686 -2.397 1.00 0.00 C ATOM 488 O ALA A 33 2.709 -11.367 -1.295 1.00 0.00 O ATOM 489 CB ALA A 33 -0.188 -11.580 -2.328 1.00 0.00 C ATOM 0 HA ALA A 33 0.969 -12.900 -3.576 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.177 -10.766 -3.053 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -1.107 -12.155 -2.441 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.140 -11.168 -1.320 1.00 0.00 H new ATOM 495 N THR A 34 2.967 -11.357 -3.476 1.00 0.00 N ATOM 496 CA THR A 34 4.234 -10.578 -3.360 1.00 0.00 C ATOM 497 C THR A 34 4.124 -9.270 -4.147 1.00 0.00 C ATOM 498 O THR A 34 3.846 -9.264 -5.329 1.00 0.00 O ATOM 499 CB THR A 34 5.398 -11.407 -3.915 1.00 0.00 C ATOM 500 OG1 THR A 34 4.903 -12.334 -4.870 1.00 0.00 O ATOM 501 CG2 THR A 34 6.082 -12.159 -2.773 1.00 0.00 C ATOM 0 H THR A 34 2.685 -11.592 -4.428 1.00 0.00 H new ATOM 0 HA THR A 34 4.412 -10.349 -2.309 1.00 0.00 H new ATOM 0 HB THR A 34 6.121 -10.746 -4.393 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.646 -12.864 -5.227 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.909 -12.748 -3.169 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.462 -11.444 -2.043 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.363 -12.822 -2.292 1.00 0.00 H new ATOM 509 N ILE A 35 4.350 -8.160 -3.496 1.00 0.00 N ATOM 510 CA ILE A 35 4.272 -6.846 -4.199 1.00 0.00 C ATOM 511 C ILE A 35 5.682 -6.285 -4.382 1.00 0.00 C ATOM 512 O ILE A 35 6.507 -6.360 -3.494 1.00 0.00 O ATOM 513 CB ILE A 35 3.455 -5.858 -3.364 1.00 0.00 C ATOM 514 CG1 ILE A 35 1.992 -6.306 -3.333 1.00 0.00 C ATOM 515 CG2 ILE A 35 3.549 -4.463 -3.989 1.00 0.00 C ATOM 516 CD1 ILE A 35 1.137 -5.226 -2.666 1.00 0.00 C ATOM 0 H ILE A 35 4.586 -8.107 -2.505 1.00 0.00 H new ATOM 0 HA ILE A 35 3.796 -6.989 -5.169 1.00 0.00 H new ATOM 0 HB ILE A 35 3.848 -5.828 -2.348 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.636 -6.491 -4.347 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.900 -7.245 -2.787 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.967 -3.758 -3.395 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.591 -4.144 -4.012 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.156 -4.492 -5.005 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.096 -5.548 -2.645 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.487 -5.063 -1.647 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.219 -4.297 -3.230 1.00 0.00 H new ATOM 528 N LYS A 36 5.965 -5.710 -5.518 1.00 0.00 N ATOM 529 CA LYS A 36 7.321 -5.134 -5.733 1.00 0.00 C ATOM 530 C LYS A 36 7.428 -3.826 -4.948 1.00 0.00 C ATOM 531 O LYS A 36 6.444 -3.155 -4.712 1.00 0.00 O ATOM 532 CB LYS A 36 7.535 -4.858 -7.224 1.00 0.00 C ATOM 533 CG LYS A 36 8.129 -6.099 -7.893 1.00 0.00 C ATOM 534 CD LYS A 36 7.208 -7.297 -7.649 1.00 0.00 C ATOM 535 CE LYS A 36 7.220 -8.211 -8.877 1.00 0.00 C ATOM 536 NZ LYS A 36 6.199 -9.283 -8.708 1.00 0.00 N ATOM 0 H LYS A 36 5.320 -5.615 -6.302 1.00 0.00 H new ATOM 0 HA LYS A 36 8.081 -5.837 -5.391 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.588 -4.596 -7.696 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.203 -4.007 -7.355 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.246 -5.928 -8.963 1.00 0.00 H new ATOM 0 HG3 LYS A 36 9.122 -6.302 -7.492 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.538 -7.849 -6.769 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.193 -6.954 -7.448 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.010 -7.632 -9.776 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.208 -8.652 -9.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.207 -9.904 -9.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.419 -9.841 -7.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.258 -8.853 -8.605 1.00 0.00 H new ATOM 550 N ARG A 37 8.610 -3.455 -4.542 1.00 0.00 N ATOM 551 CA ARG A 37 8.763 -2.190 -3.777 1.00 0.00 C ATOM 552 C ARG A 37 8.613 -1.019 -4.739 1.00 0.00 C ATOM 553 O ARG A 37 8.151 0.045 -4.377 1.00 0.00 O ATOM 554 CB ARG A 37 10.149 -2.148 -3.134 1.00 0.00 C ATOM 555 CG ARG A 37 10.036 -1.582 -1.719 1.00 0.00 C ATOM 556 CD ARG A 37 9.484 -2.657 -0.783 1.00 0.00 C ATOM 557 NE ARG A 37 10.592 -3.190 0.061 1.00 0.00 N ATOM 558 CZ ARG A 37 10.565 -3.026 1.355 1.00 0.00 C ATOM 559 NH1 ARG A 37 10.438 -1.829 1.859 1.00 0.00 N ATOM 560 NH2 ARG A 37 10.670 -4.059 2.146 1.00 0.00 N ATOM 0 H ARG A 37 9.473 -3.972 -4.707 1.00 0.00 H new ATOM 0 HA ARG A 37 8.004 -2.131 -2.996 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.578 -3.149 -3.104 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.821 -1.531 -3.731 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.013 -1.248 -1.370 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.381 -0.711 -1.716 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.700 -2.239 -0.152 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.032 -3.463 -1.362 1.00 0.00 H new ATOM 0 HE ARG A 37 11.372 -3.683 -0.374 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.360 -1.021 1.241 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.417 -1.701 2.871 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.773 -4.994 1.752 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.649 -3.931 3.158 1.00 0.00 H new ATOM 574 N ASP A 38 8.997 -1.212 -5.969 1.00 0.00 N ATOM 575 CA ASP A 38 8.875 -0.115 -6.964 1.00 0.00 C ATOM 576 C ASP A 38 7.393 0.154 -7.229 1.00 0.00 C ATOM 577 O ASP A 38 6.976 1.283 -7.393 1.00 0.00 O ATOM 578 CB ASP A 38 9.567 -0.521 -8.267 1.00 0.00 C ATOM 579 CG ASP A 38 9.216 -1.970 -8.603 1.00 0.00 C ATOM 580 OD1 ASP A 38 8.054 -2.232 -8.871 1.00 0.00 O ATOM 581 OD2 ASP A 38 10.114 -2.795 -8.587 1.00 0.00 O ATOM 0 H ASP A 38 9.390 -2.082 -6.327 1.00 0.00 H new ATOM 0 HA ASP A 38 9.349 0.787 -6.577 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.254 0.137 -9.077 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.647 -0.411 -8.167 1.00 0.00 H new ATOM 586 N LYS A 39 6.593 -0.877 -7.265 1.00 0.00 N ATOM 587 CA LYS A 39 5.138 -0.683 -7.512 1.00 0.00 C ATOM 588 C LYS A 39 4.493 -0.094 -6.257 1.00 0.00 C ATOM 589 O LYS A 39 3.928 0.981 -6.282 1.00 0.00 O ATOM 590 CB LYS A 39 4.489 -2.032 -7.832 1.00 0.00 C ATOM 591 CG LYS A 39 3.067 -1.807 -8.344 1.00 0.00 C ATOM 592 CD LYS A 39 3.116 -1.027 -9.660 1.00 0.00 C ATOM 593 CE LYS A 39 2.314 -1.776 -10.727 1.00 0.00 C ATOM 594 NZ LYS A 39 2.650 -1.235 -12.074 1.00 0.00 N ATOM 0 H LYS A 39 6.886 -1.845 -7.134 1.00 0.00 H new ATOM 0 HA LYS A 39 4.995 -0.005 -8.354 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.077 -2.561 -8.582 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.471 -2.659 -6.941 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.568 -2.764 -8.495 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.485 -1.257 -7.604 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.707 -0.027 -9.518 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.149 -0.906 -9.985 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.540 -2.842 -10.685 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.246 -1.668 -10.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.105 -1.744 -12.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.414 -0.223 -12.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.667 -1.360 -12.254 1.00 0.00 H new ATOM 608 N VAL A 40 4.578 -0.790 -5.156 1.00 0.00 N ATOM 609 CA VAL A 40 3.976 -0.269 -3.899 1.00 0.00 C ATOM 610 C VAL A 40 4.344 1.211 -3.749 1.00 0.00 C ATOM 611 O VAL A 40 3.560 2.015 -3.287 1.00 0.00 O ATOM 612 CB VAL A 40 4.500 -1.100 -2.711 1.00 0.00 C ATOM 613 CG1 VAL A 40 5.648 -0.380 -1.991 1.00 0.00 C ATOM 614 CG2 VAL A 40 3.357 -1.340 -1.723 1.00 0.00 C ATOM 0 H VAL A 40 5.038 -1.696 -5.074 1.00 0.00 H new ATOM 0 HA VAL A 40 2.890 -0.353 -3.925 1.00 0.00 H new ATOM 0 HB VAL A 40 4.877 -2.048 -3.094 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.996 -0.991 -1.158 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.469 -0.216 -2.689 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.296 0.580 -1.614 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.722 -1.927 -0.880 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.981 -0.383 -1.362 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.553 -1.881 -2.221 1.00 0.00 H new ATOM 624 N ARG A 41 5.534 1.573 -4.147 1.00 0.00 N ATOM 625 CA ARG A 41 5.959 2.996 -4.041 1.00 0.00 C ATOM 626 C ARG A 41 5.115 3.847 -4.992 1.00 0.00 C ATOM 627 O ARG A 41 4.602 4.884 -4.624 1.00 0.00 O ATOM 628 CB ARG A 41 7.437 3.118 -4.426 1.00 0.00 C ATOM 629 CG ARG A 41 7.839 4.594 -4.458 1.00 0.00 C ATOM 630 CD ARG A 41 9.365 4.706 -4.465 1.00 0.00 C ATOM 631 NE ARG A 41 9.866 4.607 -5.865 1.00 0.00 N ATOM 632 CZ ARG A 41 10.288 5.675 -6.483 1.00 0.00 C ATOM 633 NH1 ARG A 41 11.341 6.310 -6.045 1.00 0.00 N ATOM 634 NH2 ARG A 41 9.660 6.109 -7.541 1.00 0.00 N ATOM 0 H ARG A 41 6.231 0.942 -4.542 1.00 0.00 H new ATOM 0 HA ARG A 41 5.821 3.343 -3.017 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.056 2.578 -3.709 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.608 2.663 -5.402 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.424 5.076 -5.343 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.429 5.113 -3.591 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.672 5.654 -4.024 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.801 3.915 -3.855 1.00 0.00 H new ATOM 0 HE ARG A 41 9.879 3.704 -6.340 1.00 0.00 H new ATOM 0 HH11 ARG A 41 11.834 5.971 -5.219 1.00 0.00 H new ATOM 0 HH12 ARG A 41 11.671 7.145 -6.529 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.838 5.613 -7.886 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.991 6.944 -8.024 1.00 0.00 H new ATOM 648 N GLU A 42 4.969 3.415 -6.214 1.00 0.00 N ATOM 649 CA GLU A 42 4.158 4.195 -7.192 1.00 0.00 C ATOM 650 C GLU A 42 2.809 4.557 -6.567 1.00 0.00 C ATOM 651 O GLU A 42 2.336 5.668 -6.690 1.00 0.00 O ATOM 652 CB GLU A 42 3.929 3.353 -8.450 1.00 0.00 C ATOM 653 CG GLU A 42 3.371 4.240 -9.564 1.00 0.00 C ATOM 654 CD GLU A 42 2.360 3.446 -10.392 1.00 0.00 C ATOM 655 OE1 GLU A 42 2.784 2.563 -11.120 1.00 0.00 O ATOM 656 OE2 GLU A 42 1.179 3.733 -10.286 1.00 0.00 O ATOM 0 H GLU A 42 5.377 2.554 -6.579 1.00 0.00 H new ATOM 0 HA GLU A 42 4.690 5.109 -7.457 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.865 2.896 -8.770 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.235 2.541 -8.235 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.894 5.122 -9.136 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.181 4.594 -10.202 1.00 0.00 H new ATOM 663 N ILE A 43 2.186 3.627 -5.896 1.00 0.00 N ATOM 664 CA ILE A 43 0.869 3.922 -5.264 1.00 0.00 C ATOM 665 C ILE A 43 1.046 5.029 -4.221 1.00 0.00 C ATOM 666 O ILE A 43 0.368 6.039 -4.250 1.00 0.00 O ATOM 667 CB ILE A 43 0.331 2.658 -4.586 1.00 0.00 C ATOM 668 CG1 ILE A 43 -0.149 1.674 -5.655 1.00 0.00 C ATOM 669 CG2 ILE A 43 -0.838 3.024 -3.671 1.00 0.00 C ATOM 670 CD1 ILE A 43 0.210 0.248 -5.235 1.00 0.00 C ATOM 0 H ILE A 43 2.531 2.677 -5.758 1.00 0.00 H new ATOM 0 HA ILE A 43 0.162 4.249 -6.027 1.00 0.00 H new ATOM 0 HB ILE A 43 1.123 2.199 -3.995 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.227 1.764 -5.789 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.313 1.909 -6.614 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.219 2.123 -3.190 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.498 3.726 -2.910 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.631 3.484 -4.260 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.132 -0.453 -5.997 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.291 0.163 -5.123 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.273 0.016 -4.286 1.00 0.00 H new ATOM 682 N ALA A 44 1.956 4.852 -3.302 1.00 0.00 N ATOM 683 CA ALA A 44 2.177 5.896 -2.264 1.00 0.00 C ATOM 684 C ALA A 44 2.526 7.220 -2.946 1.00 0.00 C ATOM 685 O ALA A 44 2.406 8.280 -2.366 1.00 0.00 O ATOM 686 CB ALA A 44 3.329 5.471 -1.349 1.00 0.00 C ATOM 0 H ALA A 44 2.555 4.030 -3.226 1.00 0.00 H new ATOM 0 HA ALA A 44 1.271 6.019 -1.670 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.491 6.235 -0.589 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.080 4.526 -0.866 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.237 5.349 -1.940 1.00 0.00 H new ATOM 692 N GLU A 45 2.954 7.166 -4.179 1.00 0.00 N ATOM 693 CA GLU A 45 3.306 8.419 -4.904 1.00 0.00 C ATOM 694 C GLU A 45 2.024 9.089 -5.401 1.00 0.00 C ATOM 695 O GLU A 45 1.898 10.297 -5.390 1.00 0.00 O ATOM 696 CB GLU A 45 4.205 8.084 -6.096 1.00 0.00 C ATOM 697 CG GLU A 45 5.152 9.255 -6.370 1.00 0.00 C ATOM 698 CD GLU A 45 5.520 9.279 -7.855 1.00 0.00 C ATOM 699 OE1 GLU A 45 4.769 9.860 -8.622 1.00 0.00 O ATOM 700 OE2 GLU A 45 6.545 8.715 -8.200 1.00 0.00 O ATOM 0 H GLU A 45 3.075 6.307 -4.715 1.00 0.00 H new ATOM 0 HA GLU A 45 3.835 9.095 -4.233 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.778 7.180 -5.889 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.597 7.881 -6.977 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.677 10.194 -6.087 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.052 9.158 -5.763 1.00 0.00 H new ATOM 707 N LEU A 46 1.069 8.312 -5.836 1.00 0.00 N ATOM 708 CA LEU A 46 -0.206 8.905 -6.328 1.00 0.00 C ATOM 709 C LEU A 46 -0.892 9.645 -5.178 1.00 0.00 C ATOM 710 O LEU A 46 -1.289 10.785 -5.310 1.00 0.00 O ATOM 711 CB LEU A 46 -1.124 7.790 -6.836 1.00 0.00 C ATOM 712 CG LEU A 46 -1.155 7.811 -8.365 1.00 0.00 C ATOM 713 CD1 LEU A 46 -1.828 6.536 -8.878 1.00 0.00 C ATOM 714 CD2 LEU A 46 -1.945 9.031 -8.842 1.00 0.00 C ATOM 0 H LEU A 46 1.117 7.294 -5.872 1.00 0.00 H new ATOM 0 HA LEU A 46 0.002 9.601 -7.141 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.768 6.822 -6.482 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.130 7.924 -6.439 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.136 7.865 -8.749 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.851 6.550 -9.968 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.266 5.666 -8.538 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.847 6.483 -8.494 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.967 9.047 -9.932 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.964 8.977 -8.459 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.467 9.940 -8.476 1.00 0.00 H new ATOM 726 N LYS A 47 -1.028 9.005 -4.049 1.00 0.00 N ATOM 727 CA LYS A 47 -1.681 9.670 -2.886 1.00 0.00 C ATOM 728 C LYS A 47 -0.608 10.326 -2.015 1.00 0.00 C ATOM 729 O LYS A 47 -0.745 10.433 -0.812 1.00 0.00 O ATOM 730 CB LYS A 47 -2.440 8.626 -2.063 1.00 0.00 C ATOM 731 CG LYS A 47 -3.506 7.960 -2.937 1.00 0.00 C ATOM 732 CD LYS A 47 -3.192 6.469 -3.081 1.00 0.00 C ATOM 733 CE LYS A 47 -3.316 5.789 -1.717 1.00 0.00 C ATOM 734 NZ LYS A 47 -2.813 4.389 -1.814 1.00 0.00 N ATOM 0 H LYS A 47 -0.715 8.049 -3.882 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.379 10.428 -3.240 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.748 7.876 -1.681 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.907 9.099 -1.199 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.492 8.093 -2.491 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.534 8.433 -3.919 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.878 6.009 -3.793 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.185 6.335 -3.476 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.746 6.341 -0.970 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.356 5.792 -1.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.419 3.762 -1.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.831 4.082 -2.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.838 4.345 -1.456 1.00 0.00 H new ATOM 748 N MET A 48 0.465 10.760 -2.618 1.00 0.00 N ATOM 749 CA MET A 48 1.561 11.405 -1.840 1.00 0.00 C ATOM 750 C MET A 48 1.057 12.670 -1.119 1.00 0.00 C ATOM 751 O MET A 48 1.374 12.873 0.036 1.00 0.00 O ATOM 752 CB MET A 48 2.711 11.767 -2.790 1.00 0.00 C ATOM 753 CG MET A 48 3.633 12.792 -2.124 1.00 0.00 C ATOM 754 SD MET A 48 5.286 12.683 -2.850 1.00 0.00 S ATOM 755 CE MET A 48 6.174 13.470 -1.485 1.00 0.00 C ATOM 0 H MET A 48 0.630 10.695 -3.622 1.00 0.00 H new ATOM 0 HA MET A 48 1.913 10.703 -1.084 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.276 10.871 -3.050 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.312 12.173 -3.720 1.00 0.00 H new ATOM 0 HG2 MET A 48 3.232 13.797 -2.257 1.00 0.00 H new ATOM 0 HG3 MET A 48 3.683 12.608 -1.051 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.206 13.657 -1.782 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.692 14.415 -1.234 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.160 12.813 -0.615 1.00 0.00 H new ATOM 765 N PRO A 49 0.303 13.495 -1.808 1.00 0.00 N ATOM 766 CA PRO A 49 -0.218 14.743 -1.220 1.00 0.00 C ATOM 767 C PRO A 49 -1.383 14.450 -0.272 1.00 0.00 C ATOM 768 O PRO A 49 -1.811 15.302 0.482 1.00 0.00 O ATOM 769 CB PRO A 49 -0.674 15.555 -2.435 1.00 0.00 C ATOM 770 CG PRO A 49 -0.910 14.539 -3.576 1.00 0.00 C ATOM 771 CD PRO A 49 -0.106 13.274 -3.212 1.00 0.00 C ATOM 0 HA PRO A 49 0.521 15.274 -0.620 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.587 16.108 -2.212 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.081 16.288 -2.718 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.971 14.309 -3.677 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.580 14.946 -4.532 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.712 12.374 -3.313 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.759 13.151 -3.864 1.00 0.00 H new ATOM 779 N ASP A 50 -1.889 13.248 -0.291 1.00 0.00 N ATOM 780 CA ASP A 50 -3.013 12.900 0.621 1.00 0.00 C ATOM 781 C ASP A 50 -2.550 11.805 1.583 1.00 0.00 C ATOM 782 O ASP A 50 -3.344 11.110 2.185 1.00 0.00 O ATOM 783 CB ASP A 50 -4.204 12.399 -0.197 1.00 0.00 C ATOM 784 CG ASP A 50 -5.211 13.537 -0.381 1.00 0.00 C ATOM 785 OD1 ASP A 50 -5.658 14.074 0.619 1.00 0.00 O ATOM 786 OD2 ASP A 50 -5.515 13.854 -1.519 1.00 0.00 O ATOM 0 H ASP A 50 -1.572 12.492 -0.899 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.317 13.782 1.185 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.866 12.038 -1.168 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.678 11.558 0.309 1.00 0.00 H new ATOM 791 N LEU A 51 -1.262 11.650 1.728 1.00 0.00 N ATOM 792 CA LEU A 51 -0.726 10.607 2.648 1.00 0.00 C ATOM 793 C LEU A 51 0.016 11.283 3.803 1.00 0.00 C ATOM 794 O LEU A 51 0.567 10.628 4.666 1.00 0.00 O ATOM 795 CB LEU A 51 0.246 9.709 1.880 1.00 0.00 C ATOM 796 CG LEU A 51 -0.416 8.363 1.586 1.00 0.00 C ATOM 797 CD1 LEU A 51 -1.818 8.594 1.020 1.00 0.00 C ATOM 798 CD2 LEU A 51 0.425 7.598 0.561 1.00 0.00 C ATOM 0 H LEU A 51 -0.554 12.204 1.246 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.547 10.008 3.042 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.542 10.191 0.948 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.155 9.558 2.463 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.488 7.785 2.507 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.289 7.633 0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.418 9.142 1.747 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.748 9.172 0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.045 6.637 0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.494 8.179 -0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.425 7.432 0.962 1.00 0.00 H new ATOM 810 N ASN A 52 0.041 12.589 3.823 1.00 0.00 N ATOM 811 CA ASN A 52 0.755 13.303 4.918 1.00 0.00 C ATOM 812 C ASN A 52 2.236 12.923 4.879 1.00 0.00 C ATOM 813 O ASN A 52 2.928 12.966 5.876 1.00 0.00 O ATOM 814 CB ASN A 52 0.158 12.901 6.268 1.00 0.00 C ATOM 815 CG ASN A 52 -0.903 13.925 6.680 1.00 0.00 C ATOM 816 OD1 ASN A 52 -0.733 15.109 6.471 1.00 0.00 O ATOM 817 ND2 ASN A 52 -1.997 13.516 7.261 1.00 0.00 N ATOM 0 H ASN A 52 -0.402 13.191 3.129 1.00 0.00 H new ATOM 0 HA ASN A 52 0.648 14.380 4.786 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.286 11.908 6.200 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.942 12.849 7.024 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.709 14.191 7.540 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.140 12.521 7.437 1.00 0.00 H new ATOM 824 N ALA A 53 2.727 12.549 3.729 1.00 0.00 N ATOM 825 CA ALA A 53 4.162 12.162 3.619 1.00 0.00 C ATOM 826 C ALA A 53 4.958 13.312 2.997 1.00 0.00 C ATOM 827 O ALA A 53 4.755 13.671 1.853 1.00 0.00 O ATOM 828 CB ALA A 53 4.284 10.921 2.731 1.00 0.00 C ATOM 0 H ALA A 53 2.196 12.495 2.860 1.00 0.00 H new ATOM 0 HA ALA A 53 4.557 11.944 4.611 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.332 10.635 2.648 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.718 10.101 3.172 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.889 11.143 1.740 1.00 0.00 H new ATOM 834 N ALA A 54 5.864 13.890 3.736 1.00 0.00 N ATOM 835 CA ALA A 54 6.672 15.012 3.179 1.00 0.00 C ATOM 836 C ALA A 54 7.475 14.506 1.978 1.00 0.00 C ATOM 837 O ALA A 54 7.824 15.259 1.091 1.00 0.00 O ATOM 838 CB ALA A 54 7.632 15.536 4.249 1.00 0.00 C ATOM 0 H ALA A 54 6.080 13.635 4.700 1.00 0.00 H new ATOM 0 HA ALA A 54 6.008 15.818 2.865 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.221 16.356 3.839 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.061 15.893 5.107 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.298 14.733 4.565 1.00 0.00 H new ATOM 844 N SER A 55 7.770 13.235 1.945 1.00 0.00 N ATOM 845 CA SER A 55 8.549 12.679 0.804 1.00 0.00 C ATOM 846 C SER A 55 8.149 11.220 0.575 1.00 0.00 C ATOM 847 O SER A 55 7.247 10.709 1.209 1.00 0.00 O ATOM 848 CB SER A 55 10.043 12.753 1.123 1.00 0.00 C ATOM 849 OG SER A 55 10.248 12.406 2.486 1.00 0.00 O ATOM 0 H SER A 55 7.505 12.558 2.660 1.00 0.00 H new ATOM 0 HA SER A 55 8.339 13.259 -0.095 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.599 12.075 0.475 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.419 13.758 0.931 1.00 0.00 H new ATOM 0 HG SER A 55 11.205 12.450 2.695 1.00 0.00 H new ATOM 855 N ILE A 56 8.810 10.545 -0.326 1.00 0.00 N ATOM 856 CA ILE A 56 8.463 9.120 -0.593 1.00 0.00 C ATOM 857 C ILE A 56 8.841 8.269 0.619 1.00 0.00 C ATOM 858 O ILE A 56 8.065 7.469 1.090 1.00 0.00 O ATOM 859 CB ILE A 56 9.235 8.626 -1.814 1.00 0.00 C ATOM 860 CG1 ILE A 56 9.016 9.591 -2.981 1.00 0.00 C ATOM 861 CG2 ILE A 56 8.741 7.231 -2.206 1.00 0.00 C ATOM 862 CD1 ILE A 56 7.533 9.609 -3.357 1.00 0.00 C ATOM 0 H ILE A 56 9.575 10.918 -0.888 1.00 0.00 H new ATOM 0 HA ILE A 56 7.392 9.038 -0.780 1.00 0.00 H new ATOM 0 HB ILE A 56 10.297 8.579 -1.575 1.00 0.00 H new ATOM 0 HG12 ILE A 56 9.344 10.593 -2.705 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.616 9.284 -3.838 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.294 6.881 -3.078 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.899 6.543 -1.376 1.00 0.00 H new ATOM 0 HG23 ILE A 56 7.678 7.275 -2.444 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.377 10.296 -4.188 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.220 8.607 -3.651 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.944 9.936 -2.500 1.00 0.00 H new ATOM 874 N GLU A 57 10.030 8.429 1.129 1.00 0.00 N ATOM 875 CA GLU A 57 10.439 7.620 2.311 1.00 0.00 C ATOM 876 C GLU A 57 9.305 7.623 3.338 1.00 0.00 C ATOM 877 O GLU A 57 9.173 6.717 4.137 1.00 0.00 O ATOM 878 CB GLU A 57 11.695 8.227 2.939 1.00 0.00 C ATOM 879 CG GLU A 57 12.883 8.042 1.994 1.00 0.00 C ATOM 880 CD GLU A 57 14.012 7.318 2.728 1.00 0.00 C ATOM 881 OE1 GLU A 57 14.124 7.499 3.929 1.00 0.00 O ATOM 882 OE2 GLU A 57 14.747 6.593 2.077 1.00 0.00 O ATOM 0 H GLU A 57 10.733 9.081 0.781 1.00 0.00 H new ATOM 0 HA GLU A 57 10.650 6.598 1.998 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.538 9.287 3.138 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.902 7.750 3.897 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.579 7.469 1.118 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.231 9.011 1.636 1.00 0.00 H new ATOM 889 N ALA A 58 8.488 8.640 3.324 1.00 0.00 N ATOM 890 CA ALA A 58 7.364 8.711 4.299 1.00 0.00 C ATOM 891 C ALA A 58 6.113 8.049 3.710 1.00 0.00 C ATOM 892 O ALA A 58 5.331 7.447 4.419 1.00 0.00 O ATOM 893 CB ALA A 58 7.063 10.176 4.618 1.00 0.00 C ATOM 0 H ALA A 58 8.551 9.427 2.678 1.00 0.00 H new ATOM 0 HA ALA A 58 7.648 8.185 5.211 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.241 10.232 5.331 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.949 10.644 5.048 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.785 10.698 3.702 1.00 0.00 H new ATOM 899 N ALA A 59 5.907 8.163 2.424 1.00 0.00 N ATOM 900 CA ALA A 59 4.693 7.542 1.812 1.00 0.00 C ATOM 901 C ALA A 59 4.798 6.014 1.881 1.00 0.00 C ATOM 902 O ALA A 59 3.884 5.340 2.315 1.00 0.00 O ATOM 903 CB ALA A 59 4.571 7.982 0.351 1.00 0.00 C ATOM 0 H ALA A 59 6.521 8.655 1.775 1.00 0.00 H new ATOM 0 HA ALA A 59 3.810 7.866 2.363 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.685 7.528 -0.093 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.485 9.068 0.304 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.456 7.664 -0.200 1.00 0.00 H new ATOM 909 N MET A 60 5.904 5.463 1.465 1.00 0.00 N ATOM 910 CA MET A 60 6.067 3.984 1.513 1.00 0.00 C ATOM 911 C MET A 60 5.993 3.522 2.966 1.00 0.00 C ATOM 912 O MET A 60 5.852 2.350 3.251 1.00 0.00 O ATOM 913 CB MET A 60 7.427 3.601 0.925 1.00 0.00 C ATOM 914 CG MET A 60 7.317 3.491 -0.597 1.00 0.00 C ATOM 915 SD MET A 60 8.929 3.831 -1.345 1.00 0.00 S ATOM 916 CE MET A 60 9.832 2.474 -0.561 1.00 0.00 C ATOM 0 H MET A 60 6.704 5.975 1.093 1.00 0.00 H new ATOM 0 HA MET A 60 5.276 3.507 0.934 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.173 4.349 1.192 1.00 0.00 H new ATOM 0 HB3 MET A 60 7.762 2.652 1.345 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.978 2.494 -0.877 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.575 4.197 -0.971 1.00 0.00 H new ATOM 0 HE1 MET A 60 10.748 2.277 -1.118 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.082 2.748 0.464 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.211 1.578 -0.556 1.00 0.00 H new ATOM 926 N ARG A 61 6.088 4.439 3.890 1.00 0.00 N ATOM 927 CA ARG A 61 6.024 4.063 5.328 1.00 0.00 C ATOM 928 C ARG A 61 4.664 3.432 5.628 1.00 0.00 C ATOM 929 O ARG A 61 4.573 2.387 6.241 1.00 0.00 O ATOM 930 CB ARG A 61 6.210 5.315 6.184 1.00 0.00 C ATOM 931 CG ARG A 61 6.428 4.906 7.639 1.00 0.00 C ATOM 932 CD ARG A 61 7.920 4.981 7.974 1.00 0.00 C ATOM 933 NE ARG A 61 8.268 3.902 8.943 1.00 0.00 N ATOM 934 CZ ARG A 61 8.997 4.177 9.990 1.00 0.00 C ATOM 935 NH1 ARG A 61 8.639 5.136 10.800 1.00 0.00 N ATOM 936 NH2 ARG A 61 10.081 3.491 10.230 1.00 0.00 N ATOM 0 H ARG A 61 6.208 5.436 3.709 1.00 0.00 H new ATOM 0 HA ARG A 61 6.812 3.346 5.557 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.063 5.891 5.825 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.334 5.958 6.103 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.863 5.562 8.301 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.058 3.894 7.802 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.513 4.874 7.066 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.160 5.956 8.398 1.00 0.00 H new ATOM 0 HE ARG A 61 7.937 2.950 8.788 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.790 5.670 10.614 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.208 5.351 11.618 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.359 2.739 9.599 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.650 3.707 11.048 1.00 0.00 H new ATOM 950 N MET A 62 3.606 4.058 5.195 1.00 0.00 N ATOM 951 CA MET A 62 2.250 3.495 5.448 1.00 0.00 C ATOM 952 C MET A 62 1.967 2.395 4.423 1.00 0.00 C ATOM 953 O MET A 62 1.264 1.442 4.695 1.00 0.00 O ATOM 954 CB MET A 62 1.200 4.599 5.313 1.00 0.00 C ATOM 955 CG MET A 62 1.544 5.750 6.261 1.00 0.00 C ATOM 956 SD MET A 62 0.625 7.231 5.772 1.00 0.00 S ATOM 957 CE MET A 62 2.017 8.129 5.043 1.00 0.00 C ATOM 0 H MET A 62 3.621 4.936 4.676 1.00 0.00 H new ATOM 0 HA MET A 62 2.208 3.082 6.456 1.00 0.00 H new ATOM 0 HB2 MET A 62 1.166 4.959 4.285 1.00 0.00 H new ATOM 0 HB3 MET A 62 0.211 4.205 5.546 1.00 0.00 H new ATOM 0 HG2 MET A 62 1.295 5.477 7.287 1.00 0.00 H new ATOM 0 HG3 MET A 62 2.615 5.949 6.235 1.00 0.00 H new ATOM 0 HE1 MET A 62 2.194 9.045 5.606 1.00 0.00 H new ATOM 0 HE2 MET A 62 2.910 7.505 5.076 1.00 0.00 H new ATOM 0 HE3 MET A 62 1.787 8.378 4.007 1.00 0.00 H new ATOM 967 N ILE A 63 2.516 2.521 3.246 1.00 0.00 N ATOM 968 CA ILE A 63 2.288 1.485 2.199 1.00 0.00 C ATOM 969 C ILE A 63 2.968 0.182 2.621 1.00 0.00 C ATOM 970 O ILE A 63 2.596 -0.891 2.193 1.00 0.00 O ATOM 971 CB ILE A 63 2.880 1.971 0.875 1.00 0.00 C ATOM 972 CG1 ILE A 63 2.186 3.268 0.447 1.00 0.00 C ATOM 973 CG2 ILE A 63 2.673 0.907 -0.201 1.00 0.00 C ATOM 974 CD1 ILE A 63 0.673 3.133 0.634 1.00 0.00 C ATOM 0 H ILE A 63 3.114 3.298 2.964 1.00 0.00 H new ATOM 0 HA ILE A 63 1.219 1.311 2.077 1.00 0.00 H new ATOM 0 HB ILE A 63 3.947 2.154 1.004 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.561 4.104 1.037 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.415 3.486 -0.596 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.096 1.256 -1.143 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.169 -0.016 0.100 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.607 0.721 -0.328 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.185 4.058 0.328 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.303 2.309 0.024 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.452 2.936 1.683 1.00 0.00 H new ATOM 986 N GLU A 64 3.958 0.269 3.465 1.00 0.00 N ATOM 987 CA GLU A 64 4.659 -0.963 3.923 1.00 0.00 C ATOM 988 C GLU A 64 3.945 -1.518 5.156 1.00 0.00 C ATOM 989 O GLU A 64 3.383 -2.595 5.127 1.00 0.00 O ATOM 990 CB GLU A 64 6.108 -0.626 4.279 1.00 0.00 C ATOM 991 CG GLU A 64 7.049 -1.292 3.272 1.00 0.00 C ATOM 992 CD GLU A 64 8.347 -1.693 3.973 1.00 0.00 C ATOM 993 OE1 GLU A 64 9.097 -0.804 4.343 1.00 0.00 O ATOM 994 OE2 GLU A 64 8.571 -2.882 4.127 1.00 0.00 O ATOM 0 H GLU A 64 4.312 1.141 3.858 1.00 0.00 H new ATOM 0 HA GLU A 64 4.648 -1.708 3.127 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.254 0.454 4.270 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.335 -0.970 5.288 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.571 -2.171 2.838 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.263 -0.608 2.451 1.00 0.00 H new ATOM 1001 N GLY A 65 3.959 -0.790 6.239 1.00 0.00 N ATOM 1002 CA GLY A 65 3.278 -1.275 7.474 1.00 0.00 C ATOM 1003 C GLY A 65 1.875 -1.768 7.119 1.00 0.00 C ATOM 1004 O GLY A 65 1.380 -2.722 7.685 1.00 0.00 O ATOM 0 H GLY A 65 4.412 0.120 6.323 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.855 -2.081 7.928 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.218 -0.472 8.209 1.00 0.00 H new ATOM 1008 N THR A 66 1.232 -1.127 6.182 1.00 0.00 N ATOM 1009 CA THR A 66 -0.138 -1.562 5.788 1.00 0.00 C ATOM 1010 C THR A 66 -0.032 -2.709 4.782 1.00 0.00 C ATOM 1011 O THR A 66 -0.716 -3.708 4.890 1.00 0.00 O ATOM 1012 CB THR A 66 -0.881 -0.385 5.150 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.780 0.751 5.998 1.00 0.00 O ATOM 1014 CG2 THR A 66 -2.352 -0.752 4.958 1.00 0.00 C ATOM 0 H THR A 66 1.596 -0.322 5.673 1.00 0.00 H new ATOM 0 HA THR A 66 -0.685 -1.900 6.668 1.00 0.00 H new ATOM 0 HB THR A 66 -0.438 -0.156 4.181 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.118 1.135 5.924 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.880 0.087 4.504 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.428 -1.624 4.308 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.799 -0.981 5.925 1.00 0.00 H new ATOM 1022 N ALA A 67 0.824 -2.576 3.806 1.00 0.00 N ATOM 1023 CA ALA A 67 0.980 -3.661 2.795 1.00 0.00 C ATOM 1024 C ALA A 67 2.038 -4.655 3.272 1.00 0.00 C ATOM 1025 O ALA A 67 2.682 -5.317 2.483 1.00 0.00 O ATOM 1026 CB ALA A 67 1.424 -3.056 1.462 1.00 0.00 C ATOM 0 H ALA A 67 1.423 -1.762 3.665 1.00 0.00 H new ATOM 0 HA ALA A 67 0.027 -4.174 2.666 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.538 -3.849 0.723 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.674 -2.344 1.118 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.377 -2.543 1.594 1.00 0.00 H new ATOM 1032 N ARG A 68 2.229 -4.764 4.558 1.00 0.00 N ATOM 1033 CA ARG A 68 3.255 -5.713 5.079 1.00 0.00 C ATOM 1034 C ARG A 68 2.744 -6.386 6.355 1.00 0.00 C ATOM 1035 O ARG A 68 2.964 -7.559 6.580 1.00 0.00 O ATOM 1036 CB ARG A 68 4.541 -4.946 5.389 1.00 0.00 C ATOM 1037 CG ARG A 68 5.588 -5.909 5.946 1.00 0.00 C ATOM 1038 CD ARG A 68 6.957 -5.228 5.942 1.00 0.00 C ATOM 1039 NE ARG A 68 7.876 -5.953 6.863 1.00 0.00 N ATOM 1040 CZ ARG A 68 8.877 -6.634 6.380 1.00 0.00 C ATOM 1041 NH1 ARG A 68 9.788 -6.036 5.663 1.00 0.00 N ATOM 1042 NH2 ARG A 68 8.968 -7.915 6.614 1.00 0.00 N ATOM 0 H ARG A 68 1.721 -4.239 5.270 1.00 0.00 H new ATOM 0 HA ARG A 68 3.453 -6.477 4.327 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.917 -4.466 4.486 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.340 -4.154 6.110 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.321 -6.207 6.960 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.620 -6.817 5.344 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.368 -5.221 4.933 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.859 -4.188 6.254 1.00 0.00 H new ATOM 0 HE ARG A 68 7.722 -5.917 7.871 1.00 0.00 H new ATOM 0 HH11 ARG A 68 9.717 -5.035 5.480 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.571 -6.569 5.285 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.256 -8.383 7.175 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.751 -8.448 6.236 1.00 0.00 H new ATOM 1056 N SER A 69 2.069 -5.653 7.198 1.00 0.00 N ATOM 1057 CA SER A 69 1.555 -6.254 8.462 1.00 0.00 C ATOM 1058 C SER A 69 0.167 -6.851 8.223 1.00 0.00 C ATOM 1059 O SER A 69 -0.563 -7.137 9.151 1.00 0.00 O ATOM 1060 CB SER A 69 1.465 -5.174 9.539 1.00 0.00 C ATOM 1061 OG SER A 69 2.775 -4.744 9.881 1.00 0.00 O ATOM 0 H SER A 69 1.851 -4.665 7.067 1.00 0.00 H new ATOM 0 HA SER A 69 2.235 -7.041 8.789 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.876 -4.331 9.177 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.956 -5.564 10.420 1.00 0.00 H new ATOM 0 HG SER A 69 2.722 -4.050 10.571 1.00 0.00 H new ATOM 1067 N MET A 70 -0.204 -7.044 6.987 1.00 0.00 N ATOM 1068 CA MET A 70 -1.545 -7.626 6.697 1.00 0.00 C ATOM 1069 C MET A 70 -1.375 -9.010 6.068 1.00 0.00 C ATOM 1070 O MET A 70 -2.165 -9.906 6.294 1.00 0.00 O ATOM 1071 CB MET A 70 -2.300 -6.711 5.728 1.00 0.00 C ATOM 1072 CG MET A 70 -2.888 -5.526 6.497 1.00 0.00 C ATOM 1073 SD MET A 70 -4.477 -5.059 5.766 1.00 0.00 S ATOM 1074 CE MET A 70 -3.866 -3.693 4.748 1.00 0.00 C ATOM 0 H MET A 70 0.362 -6.825 6.167 1.00 0.00 H new ATOM 0 HA MET A 70 -2.111 -7.717 7.624 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.626 -6.354 4.949 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.096 -7.267 5.232 1.00 0.00 H new ATOM 0 HG2 MET A 70 -3.022 -5.790 7.546 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.200 -4.681 6.466 1.00 0.00 H new ATOM 0 HE1 MET A 70 -4.698 -3.046 4.470 1.00 0.00 H new ATOM 0 HE2 MET A 70 -3.132 -3.118 5.313 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.399 -4.091 3.847 1.00 0.00 H new ATOM 1084 N GLY A 71 -0.350 -9.195 5.283 1.00 0.00 N ATOM 1085 CA GLY A 71 -0.130 -10.523 4.643 1.00 0.00 C ATOM 1086 C GLY A 71 0.654 -10.343 3.341 1.00 0.00 C ATOM 1087 O GLY A 71 1.266 -11.265 2.842 1.00 0.00 O ATOM 0 H GLY A 71 0.345 -8.484 5.057 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.417 -11.178 5.321 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.087 -11.003 4.439 1.00 0.00 H new ATOM 1091 N ILE A 72 0.642 -9.160 2.788 1.00 0.00 N ATOM 1092 CA ILE A 72 1.387 -8.926 1.520 1.00 0.00 C ATOM 1093 C ILE A 72 2.879 -8.796 1.826 1.00 0.00 C ATOM 1094 O ILE A 72 3.273 -8.159 2.783 1.00 0.00 O ATOM 1095 CB ILE A 72 0.883 -7.638 0.870 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.604 -7.786 0.537 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.664 -7.374 -0.417 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.360 -6.539 1.000 1.00 0.00 C ATOM 0 H ILE A 72 0.149 -8.348 3.159 1.00 0.00 H new ATOM 0 HA ILE A 72 1.228 -9.763 0.840 1.00 0.00 H new ATOM 0 HB ILE A 72 1.025 -6.805 1.559 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.735 -7.925 -0.536 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.010 -8.672 1.025 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.303 -6.455 -0.879 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.724 -7.272 -0.185 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.522 -8.207 -1.106 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.418 -6.646 0.762 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.240 -6.420 2.077 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.961 -5.662 0.491 1.00 0.00 H new ATOM 1110 N VAL A 73 3.713 -9.397 1.024 1.00 0.00 N ATOM 1111 CA VAL A 73 5.178 -9.308 1.274 1.00 0.00 C ATOM 1112 C VAL A 73 5.806 -8.336 0.267 1.00 0.00 C ATOM 1113 O VAL A 73 5.800 -8.568 -0.923 1.00 0.00 O ATOM 1114 CB VAL A 73 5.798 -10.715 1.150 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.412 -10.934 -0.236 1.00 0.00 C ATOM 1116 CG2 VAL A 73 6.885 -10.883 2.214 1.00 0.00 C ATOM 0 H VAL A 73 3.444 -9.945 0.207 1.00 0.00 H new ATOM 0 HA VAL A 73 5.370 -8.932 2.279 1.00 0.00 H new ATOM 0 HB VAL A 73 5.007 -11.451 1.294 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.840 -11.935 -0.290 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.639 -10.828 -0.997 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.194 -10.195 -0.408 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.326 -11.876 2.130 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.658 -10.129 2.066 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.446 -10.764 3.205 1.00 0.00 H new ATOM 1126 N VAL A 74 6.343 -7.249 0.737 1.00 0.00 N ATOM 1127 CA VAL A 74 6.963 -6.273 -0.198 1.00 0.00 C ATOM 1128 C VAL A 74 8.438 -6.649 -0.403 1.00 0.00 C ATOM 1129 O VAL A 74 9.184 -6.809 0.543 1.00 0.00 O ATOM 1130 CB VAL A 74 6.812 -4.852 0.385 1.00 0.00 C ATOM 1131 CG1 VAL A 74 8.106 -4.385 1.065 1.00 0.00 C ATOM 1132 CG2 VAL A 74 6.449 -3.878 -0.738 1.00 0.00 C ATOM 0 H VAL A 74 6.380 -6.994 1.724 1.00 0.00 H new ATOM 0 HA VAL A 74 6.468 -6.295 -1.169 1.00 0.00 H new ATOM 0 HB VAL A 74 6.022 -4.875 1.135 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.965 -3.381 1.465 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.357 -5.067 1.878 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.917 -4.375 0.337 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.342 -2.874 -0.328 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.237 -3.881 -1.491 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.509 -4.185 -1.196 1.00 0.00 H new ATOM 1142 N GLU A 75 8.861 -6.797 -1.629 1.00 0.00 N ATOM 1143 CA GLU A 75 10.280 -7.170 -1.889 1.00 0.00 C ATOM 1144 C GLU A 75 10.998 -6.011 -2.582 1.00 0.00 C ATOM 1145 O GLU A 75 10.394 -5.225 -3.285 1.00 0.00 O ATOM 1146 CB GLU A 75 10.324 -8.404 -2.792 1.00 0.00 C ATOM 1147 CG GLU A 75 10.622 -9.645 -1.949 1.00 0.00 C ATOM 1148 CD GLU A 75 11.313 -10.699 -2.817 1.00 0.00 C ATOM 1149 OE1 GLU A 75 10.610 -11.468 -3.452 1.00 0.00 O ATOM 1150 OE2 GLU A 75 12.533 -10.717 -2.833 1.00 0.00 O ATOM 0 H GLU A 75 8.285 -6.676 -2.462 1.00 0.00 H new ATOM 0 HA GLU A 75 10.774 -7.389 -0.943 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.372 -8.523 -3.309 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.089 -8.280 -3.558 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.259 -9.380 -1.105 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.697 -10.048 -1.537 1.00 0.00 H new ATOM 1157 N ASP A 76 12.284 -5.897 -2.389 1.00 0.00 N ATOM 1158 CA ASP A 76 13.040 -4.789 -3.039 1.00 0.00 C ATOM 1159 C ASP A 76 13.367 -5.173 -4.483 1.00 0.00 C ATOM 1160 O ASP A 76 13.344 -4.293 -5.329 1.00 0.00 O ATOM 1161 CB ASP A 76 14.339 -4.536 -2.272 1.00 0.00 C ATOM 1162 CG ASP A 76 14.066 -3.595 -1.097 1.00 0.00 C ATOM 1163 OD1 ASP A 76 13.603 -4.074 -0.074 1.00 0.00 O ATOM 1164 OD2 ASP A 76 14.322 -2.412 -1.239 1.00 0.00 O ATOM 1165 OXT ASP A 76 13.634 -6.340 -4.719 1.00 0.00 O ATOM 0 H ASP A 76 12.843 -6.523 -1.810 1.00 0.00 H new ATOM 0 HA ASP A 76 12.433 -3.884 -3.032 1.00 0.00 H new ATOM 0 HB2 ASP A 76 14.748 -5.479 -1.909 1.00 0.00 H new ATOM 0 HB3 ASP A 76 15.086 -4.099 -2.935 1.00 0.00 H new