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+ -177:sc= 0.0797 (180deg=0.0683) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0759 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+ -150:sc= -0.295 (180deg=-0.667) USER MOD Single : A 48 MET CE :methyl 135:sc= -0.439 (180deg=-2.14!) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 152:sc=-0.00657 (180deg=-0.425) USER MOD Single : A 62 MET CE :methyl -141:sc= -0.262 (180deg=-1.47) USER MOD Single : A 66 THR OG1 : rot 108:sc= 0.91 USER MOD Single : A 69 SER OG : rot 121:sc= -2! USER MOD Single : A 70 MET CE :methyl -133:sc= -3.84 (180deg=-5.21!) USER MOD ----------------------------------------------------------------- ATOM 123 N PRO A 8 -8.298 6.927 -0.639 1.00 0.00 N ATOM 124 CA PRO A 8 -8.720 5.898 0.329 1.00 0.00 C ATOM 125 C PRO A 8 -7.525 5.504 1.203 1.00 0.00 C ATOM 126 O PRO A 8 -6.439 6.014 1.015 1.00 0.00 O ATOM 127 CB PRO A 8 -9.163 4.733 -0.562 1.00 0.00 C ATOM 128 CG PRO A 8 -8.462 4.928 -1.925 1.00 0.00 C ATOM 129 CD PRO A 8 -8.058 6.409 -2.003 1.00 0.00 C ATOM 0 HA PRO A 8 -9.509 6.223 1.007 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.885 3.778 -0.117 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.246 4.727 -0.681 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.587 4.283 -2.007 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.130 4.665 -2.745 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.013 6.521 -2.293 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.653 6.945 -2.742 1.00 0.00 H new ATOM 137 N PRO A 9 -7.748 4.606 2.130 1.00 0.00 N ATOM 138 CA PRO A 9 -6.682 4.138 3.031 1.00 0.00 C ATOM 139 C PRO A 9 -5.717 3.216 2.277 1.00 0.00 C ATOM 140 O PRO A 9 -6.102 2.505 1.371 1.00 0.00 O ATOM 141 CB PRO A 9 -7.439 3.394 4.135 1.00 0.00 C ATOM 142 CG PRO A 9 -8.810 3.006 3.538 1.00 0.00 C ATOM 143 CD PRO A 9 -9.066 3.973 2.366 1.00 0.00 C ATOM 0 HA PRO A 9 -6.066 4.943 3.432 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.889 2.508 4.454 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -7.563 4.026 5.015 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.805 1.972 3.194 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.597 3.088 4.288 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.419 3.443 1.481 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.825 4.713 2.618 1.00 0.00 H new ATOM 151 N ALA A 10 -4.462 3.241 2.634 1.00 0.00 N ATOM 152 CA ALA A 10 -3.464 2.385 1.929 1.00 0.00 C ATOM 153 C ALA A 10 -3.800 0.905 2.129 1.00 0.00 C ATOM 154 O ALA A 10 -3.231 0.042 1.492 1.00 0.00 O ATOM 155 CB ALA A 10 -2.069 2.668 2.487 1.00 0.00 C ATOM 0 H ALA A 10 -4.083 3.818 3.385 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.490 2.614 0.864 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.338 2.044 1.973 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.821 3.718 2.333 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.052 2.444 3.554 1.00 0.00 H new ATOM 161 N ALA A 11 -4.716 0.601 3.006 1.00 0.00 N ATOM 162 CA ALA A 11 -5.073 -0.827 3.235 1.00 0.00 C ATOM 163 C ALA A 11 -6.129 -1.263 2.215 1.00 0.00 C ATOM 164 O ALA A 11 -6.687 -2.338 2.309 1.00 0.00 O ATOM 165 CB ALA A 11 -5.629 -0.995 4.650 1.00 0.00 C ATOM 0 H ALA A 11 -5.231 1.276 3.572 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.182 -1.445 3.120 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.890 -2.040 4.817 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.876 -0.689 5.376 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.518 -0.376 4.767 1.00 0.00 H new ATOM 171 N VAL A 12 -6.410 -0.439 1.241 1.00 0.00 N ATOM 172 CA VAL A 12 -7.429 -0.808 0.223 1.00 0.00 C ATOM 173 C VAL A 12 -6.793 -0.801 -1.173 1.00 0.00 C ATOM 174 O VAL A 12 -6.961 -1.723 -1.947 1.00 0.00 O ATOM 175 CB VAL A 12 -8.591 0.194 0.290 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.304 1.418 -0.588 1.00 0.00 C ATOM 177 CG2 VAL A 12 -9.866 -0.484 -0.198 1.00 0.00 C ATOM 0 H VAL A 12 -5.976 0.474 1.109 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.809 -1.810 0.424 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.709 0.524 1.322 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.140 2.115 -0.526 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.395 1.910 -0.241 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.172 1.101 -1.623 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.694 0.223 -0.153 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.730 -0.818 -1.227 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.087 -1.343 0.436 1.00 0.00 H new ATOM 187 N LEU A 13 -6.068 0.235 -1.501 1.00 0.00 N ATOM 188 CA LEU A 13 -5.430 0.302 -2.846 1.00 0.00 C ATOM 189 C LEU A 13 -4.223 -0.635 -2.887 1.00 0.00 C ATOM 190 O LEU A 13 -4.028 -1.368 -3.835 1.00 0.00 O ATOM 191 CB LEU A 13 -4.961 1.732 -3.122 1.00 0.00 C ATOM 192 CG LEU A 13 -6.141 2.697 -2.993 1.00 0.00 C ATOM 193 CD1 LEU A 13 -5.667 4.120 -3.294 1.00 0.00 C ATOM 194 CD2 LEU A 13 -7.235 2.306 -3.989 1.00 0.00 C ATOM 0 H LEU A 13 -5.891 1.037 -0.896 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.156 0.001 -3.602 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.174 2.009 -2.420 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.533 1.798 -4.122 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.539 2.649 -1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.506 4.810 -3.203 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.887 4.401 -2.586 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.269 4.164 -4.308 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.075 2.994 -3.896 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.838 2.353 -5.003 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.573 1.291 -3.779 1.00 0.00 H new ATOM 206 N LEU A 14 -3.410 -0.613 -1.869 1.00 0.00 N ATOM 207 CA LEU A 14 -2.214 -1.501 -1.852 1.00 0.00 C ATOM 208 C LEU A 14 -2.624 -2.921 -2.243 1.00 0.00 C ATOM 209 O LEU A 14 -2.221 -3.434 -3.268 1.00 0.00 O ATOM 210 CB LEU A 14 -1.607 -1.504 -0.447 1.00 0.00 C ATOM 211 CG LEU A 14 -1.019 -0.123 -0.152 1.00 0.00 C ATOM 212 CD1 LEU A 14 -0.361 -0.126 1.229 1.00 0.00 C ATOM 213 CD2 LEU A 14 0.029 0.219 -1.213 1.00 0.00 C ATOM 0 H LEU A 14 -3.521 -0.019 -1.048 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.475 -1.134 -2.565 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.369 -1.754 0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.831 -2.266 -0.374 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.816 0.620 -0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.057 0.859 1.435 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.106 -0.370 1.986 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.436 -0.869 1.251 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.450 1.203 -1.005 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.824 -0.527 -1.193 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.439 0.225 -2.198 1.00 0.00 H new ATOM 225 N LYS A 15 -3.424 -3.561 -1.437 1.00 0.00 N ATOM 226 CA LYS A 15 -3.860 -4.948 -1.766 1.00 0.00 C ATOM 227 C LYS A 15 -4.379 -4.997 -3.206 1.00 0.00 C ATOM 228 O LYS A 15 -4.169 -5.959 -3.920 1.00 0.00 O ATOM 229 CB LYS A 15 -4.982 -5.367 -0.815 1.00 0.00 C ATOM 230 CG LYS A 15 -4.438 -5.454 0.611 1.00 0.00 C ATOM 231 CD LYS A 15 -5.127 -6.602 1.350 1.00 0.00 C ATOM 232 CE LYS A 15 -6.643 -6.495 1.162 1.00 0.00 C ATOM 233 NZ LYS A 15 -7.155 -5.319 1.920 1.00 0.00 N ATOM 0 H LYS A 15 -3.795 -3.184 -0.565 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.013 -5.626 -1.660 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.799 -4.647 -0.860 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.390 -6.331 -1.119 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.360 -5.615 0.591 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.610 -4.514 1.135 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.770 -7.559 0.970 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.878 -6.567 2.411 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.883 -6.392 0.104 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.129 -7.406 1.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.191 -5.275 1.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.894 -5.412 2.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.738 -4.448 1.533 1.00 0.00 H new ATOM 247 N LYS A 16 -5.061 -3.971 -3.637 1.00 0.00 N ATOM 248 CA LYS A 16 -5.602 -3.959 -5.027 1.00 0.00 C ATOM 249 C LYS A 16 -4.460 -4.135 -6.032 1.00 0.00 C ATOM 250 O LYS A 16 -4.587 -4.845 -7.010 1.00 0.00 O ATOM 251 CB LYS A 16 -6.303 -2.624 -5.286 1.00 0.00 C ATOM 252 CG LYS A 16 -6.870 -2.609 -6.707 1.00 0.00 C ATOM 253 CD LYS A 16 -6.719 -1.208 -7.303 1.00 0.00 C ATOM 254 CE LYS A 16 -7.433 -1.147 -8.655 1.00 0.00 C ATOM 255 NZ LYS A 16 -6.574 -1.774 -9.698 1.00 0.00 N ATOM 0 H LYS A 16 -5.268 -3.138 -3.085 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.312 -4.778 -5.143 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.105 -2.476 -4.562 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.600 -1.801 -5.155 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.347 -3.337 -7.326 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.921 -2.899 -6.694 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.139 -0.466 -6.624 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.663 -0.966 -7.426 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.390 -1.665 -8.597 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.647 -0.111 -8.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.058 -1.733 -10.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.671 -1.261 -9.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.391 -2.767 -9.447 1.00 0.00 H new ATOM 269 N ALA A 17 -3.351 -3.491 -5.803 1.00 0.00 N ATOM 270 CA ALA A 17 -2.207 -3.616 -6.747 1.00 0.00 C ATOM 271 C ALA A 17 -1.800 -5.086 -6.872 1.00 0.00 C ATOM 272 O ALA A 17 -1.908 -5.682 -7.926 1.00 0.00 O ATOM 273 CB ALA A 17 -1.023 -2.801 -6.223 1.00 0.00 C ATOM 0 H ALA A 17 -3.187 -2.882 -5.001 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.504 -3.240 -7.726 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.185 -2.892 -6.914 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.311 -1.753 -6.138 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.728 -3.176 -5.243 1.00 0.00 H new ATOM 279 N ALA A 18 -1.327 -5.674 -5.807 1.00 0.00 N ATOM 280 CA ALA A 18 -0.909 -7.104 -5.864 1.00 0.00 C ATOM 281 C ALA A 18 -1.940 -7.913 -6.653 1.00 0.00 C ATOM 282 O ALA A 18 -1.597 -8.737 -7.477 1.00 0.00 O ATOM 283 CB ALA A 18 -0.806 -7.663 -4.444 1.00 0.00 C ATOM 0 H ALA A 18 -1.212 -5.225 -4.898 1.00 0.00 H new ATOM 0 HA ALA A 18 0.061 -7.175 -6.357 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.500 -8.708 -4.486 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.068 -7.092 -3.881 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.776 -7.588 -3.952 1.00 0.00 H new ATOM 289 N GLY A 19 -3.201 -7.690 -6.405 1.00 0.00 N ATOM 290 CA GLY A 19 -4.251 -8.453 -7.138 1.00 0.00 C ATOM 291 C GLY A 19 -4.660 -9.672 -6.311 1.00 0.00 C ATOM 292 O GLY A 19 -4.606 -10.796 -6.772 1.00 0.00 O ATOM 0 H GLY A 19 -3.550 -7.013 -5.727 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.117 -7.817 -7.322 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.875 -8.769 -8.111 1.00 0.00 H new ATOM 485 N ALA A 33 1.627 -13.602 -1.010 1.00 0.00 N ATOM 486 CA ALA A 33 1.488 -12.589 -2.092 1.00 0.00 C ATOM 487 C ALA A 33 2.666 -11.616 -2.025 1.00 0.00 C ATOM 488 O ALA A 33 2.780 -10.830 -1.106 1.00 0.00 O ATOM 489 CB ALA A 33 0.177 -11.822 -1.909 1.00 0.00 C ATOM 0 HA ALA A 33 1.481 -13.087 -3.062 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.076 -11.080 -2.701 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.661 -12.518 -1.954 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.181 -11.321 -0.941 1.00 0.00 H new ATOM 495 N THR A 34 3.548 -11.667 -2.985 1.00 0.00 N ATOM 496 CA THR A 34 4.720 -10.749 -2.964 1.00 0.00 C ATOM 497 C THR A 34 4.406 -9.487 -3.772 1.00 0.00 C ATOM 498 O THR A 34 3.920 -9.554 -4.883 1.00 0.00 O ATOM 499 CB THR A 34 5.934 -11.458 -3.570 1.00 0.00 C ATOM 500 OG1 THR A 34 5.494 -12.538 -4.382 1.00 0.00 O ATOM 501 CG2 THR A 34 6.826 -11.991 -2.448 1.00 0.00 C ATOM 0 H THR A 34 3.508 -12.303 -3.781 1.00 0.00 H new ATOM 0 HA THR A 34 4.939 -10.468 -1.934 1.00 0.00 H new ATOM 0 HB THR A 34 6.501 -10.754 -4.179 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.270 -12.992 -4.772 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.690 -12.496 -2.879 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.163 -11.162 -1.826 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.261 -12.696 -1.838 1.00 0.00 H new ATOM 509 N ILE A 35 4.684 -8.336 -3.220 1.00 0.00 N ATOM 510 CA ILE A 35 4.405 -7.068 -3.953 1.00 0.00 C ATOM 511 C ILE A 35 5.714 -6.309 -4.178 1.00 0.00 C ATOM 512 O ILE A 35 6.275 -5.734 -3.266 1.00 0.00 O ATOM 513 CB ILE A 35 3.448 -6.203 -3.130 1.00 0.00 C ATOM 514 CG1 ILE A 35 2.047 -6.814 -3.172 1.00 0.00 C ATOM 515 CG2 ILE A 35 3.401 -4.790 -3.714 1.00 0.00 C ATOM 516 CD1 ILE A 35 1.064 -5.891 -2.451 1.00 0.00 C ATOM 0 H ILE A 35 5.092 -8.220 -2.293 1.00 0.00 H new ATOM 0 HA ILE A 35 3.949 -7.298 -4.916 1.00 0.00 H new ATOM 0 HB ILE A 35 3.798 -6.158 -2.099 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.734 -6.960 -4.206 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.053 -7.796 -2.699 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.719 -4.176 -3.126 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.399 -4.352 -3.687 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.052 -4.834 -4.746 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.066 -6.328 -2.482 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.375 -5.768 -1.413 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.050 -4.919 -2.943 1.00 0.00 H new ATOM 528 N LYS A 36 6.204 -6.300 -5.388 1.00 0.00 N ATOM 529 CA LYS A 36 7.474 -5.575 -5.674 1.00 0.00 C ATOM 530 C LYS A 36 7.409 -4.173 -5.063 1.00 0.00 C ATOM 531 O LYS A 36 6.345 -3.660 -4.778 1.00 0.00 O ATOM 532 CB LYS A 36 7.661 -5.456 -7.188 1.00 0.00 C ATOM 533 CG LYS A 36 8.386 -6.696 -7.716 1.00 0.00 C ATOM 534 CD LYS A 36 7.385 -7.608 -8.428 1.00 0.00 C ATOM 535 CE LYS A 36 7.975 -8.073 -9.762 1.00 0.00 C ATOM 536 NZ LYS A 36 7.223 -7.444 -10.884 1.00 0.00 N ATOM 0 H LYS A 36 5.779 -6.764 -6.191 1.00 0.00 H new ATOM 0 HA LYS A 36 8.311 -6.124 -5.243 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.692 -5.353 -7.677 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.234 -4.559 -7.424 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.179 -6.402 -8.404 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.860 -7.231 -6.893 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.152 -8.469 -7.802 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.449 -7.076 -8.598 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.029 -7.802 -9.820 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.920 -9.159 -9.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.624 -7.760 -11.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.223 -7.724 -10.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.297 -6.409 -10.814 1.00 0.00 H new ATOM 550 N ARG A 37 8.536 -3.547 -4.865 1.00 0.00 N ATOM 551 CA ARG A 37 8.532 -2.177 -4.281 1.00 0.00 C ATOM 552 C ARG A 37 8.257 -1.170 -5.394 1.00 0.00 C ATOM 553 O ARG A 37 7.686 -0.123 -5.175 1.00 0.00 O ATOM 554 CB ARG A 37 9.894 -1.880 -3.652 1.00 0.00 C ATOM 555 CG ARG A 37 9.696 -1.136 -2.329 1.00 0.00 C ATOM 556 CD ARG A 37 8.787 -1.953 -1.408 1.00 0.00 C ATOM 557 NE ARG A 37 8.970 -1.503 0.000 1.00 0.00 N ATOM 558 CZ ARG A 37 10.170 -1.345 0.487 1.00 0.00 C ATOM 559 NH1 ARG A 37 11.010 -2.344 0.486 1.00 0.00 N ATOM 560 NH2 ARG A 37 10.529 -0.188 0.973 1.00 0.00 N ATOM 0 H ARG A 37 9.458 -3.925 -5.082 1.00 0.00 H new ATOM 0 HA ARG A 37 7.761 -2.106 -3.513 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.437 -2.809 -3.481 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.497 -1.279 -4.332 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.659 -0.967 -1.848 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.256 -0.156 -2.514 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.746 -1.832 -1.707 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.022 -3.014 -1.495 1.00 0.00 H new ATOM 0 HE ARG A 37 8.155 -1.318 0.585 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.728 -3.247 0.105 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.948 -2.222 0.866 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.872 0.592 0.972 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.467 -0.064 1.354 1.00 0.00 H new ATOM 574 N ASP A 38 8.661 -1.487 -6.592 1.00 0.00 N ATOM 575 CA ASP A 38 8.421 -0.557 -7.729 1.00 0.00 C ATOM 576 C ASP A 38 6.914 -0.374 -7.919 1.00 0.00 C ATOM 577 O ASP A 38 6.466 0.564 -8.548 1.00 0.00 O ATOM 578 CB ASP A 38 9.032 -1.142 -9.003 1.00 0.00 C ATOM 579 CG ASP A 38 10.555 -1.172 -8.870 1.00 0.00 C ATOM 580 OD1 ASP A 38 11.035 -1.773 -7.923 1.00 0.00 O ATOM 581 OD2 ASP A 38 11.216 -0.594 -9.717 1.00 0.00 O ATOM 0 H ASP A 38 9.147 -2.351 -6.833 1.00 0.00 H new ATOM 0 HA ASP A 38 8.882 0.408 -7.519 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.651 -2.149 -9.173 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.743 -0.542 -9.866 1.00 0.00 H new ATOM 586 N LYS A 39 6.128 -1.264 -7.375 1.00 0.00 N ATOM 587 CA LYS A 39 4.650 -1.145 -7.517 1.00 0.00 C ATOM 588 C LYS A 39 4.065 -0.552 -6.234 1.00 0.00 C ATOM 589 O LYS A 39 3.473 0.509 -6.242 1.00 0.00 O ATOM 590 CB LYS A 39 4.048 -2.532 -7.760 1.00 0.00 C ATOM 591 CG LYS A 39 2.580 -2.391 -8.167 1.00 0.00 C ATOM 592 CD LYS A 39 2.420 -2.765 -9.642 1.00 0.00 C ATOM 593 CE LYS A 39 1.149 -2.120 -10.194 1.00 0.00 C ATOM 594 NZ LYS A 39 1.519 -0.994 -11.097 1.00 0.00 N ATOM 0 H LYS A 39 6.448 -2.070 -6.837 1.00 0.00 H new ATOM 0 HA LYS A 39 4.414 -0.495 -8.360 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.604 -3.049 -8.542 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.129 -3.138 -6.857 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.957 -3.036 -7.548 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.243 -1.368 -8.002 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.288 -2.429 -10.210 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.368 -3.848 -9.750 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.560 -2.858 -10.738 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.528 -1.756 -9.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.656 -0.553 -11.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.065 -0.287 -10.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.095 -1.355 -11.884 1.00 0.00 H new ATOM 608 N VAL A 40 4.227 -1.228 -5.127 1.00 0.00 N ATOM 609 CA VAL A 40 3.682 -0.702 -3.845 1.00 0.00 C ATOM 610 C VAL A 40 4.039 0.785 -3.723 1.00 0.00 C ATOM 611 O VAL A 40 3.288 1.576 -3.189 1.00 0.00 O ATOM 612 CB VAL A 40 4.279 -1.509 -2.672 1.00 0.00 C ATOM 613 CG1 VAL A 40 5.432 -0.749 -2.002 1.00 0.00 C ATOM 614 CG2 VAL A 40 3.183 -1.777 -1.639 1.00 0.00 C ATOM 0 H VAL A 40 4.714 -2.122 -5.057 1.00 0.00 H new ATOM 0 HA VAL A 40 2.597 -0.805 -3.821 1.00 0.00 H new ATOM 0 HB VAL A 40 4.671 -2.447 -3.064 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.831 -1.344 -1.180 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.220 -0.565 -2.733 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.065 0.202 -1.617 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.598 -2.347 -0.808 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.791 -0.829 -1.270 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.377 -2.346 -2.103 1.00 0.00 H new ATOM 624 N ARG A 41 5.186 1.158 -4.215 1.00 0.00 N ATOM 625 CA ARG A 41 5.611 2.583 -4.136 1.00 0.00 C ATOM 626 C ARG A 41 4.727 3.428 -5.051 1.00 0.00 C ATOM 627 O ARG A 41 4.179 4.434 -4.646 1.00 0.00 O ATOM 628 CB ARG A 41 7.070 2.704 -4.585 1.00 0.00 C ATOM 629 CG ARG A 41 7.505 4.169 -4.524 1.00 0.00 C ATOM 630 CD ARG A 41 8.411 4.482 -5.716 1.00 0.00 C ATOM 631 NE ARG A 41 9.817 4.634 -5.245 1.00 0.00 N ATOM 632 CZ ARG A 41 10.499 5.699 -5.564 1.00 0.00 C ATOM 633 NH1 ARG A 41 10.183 6.854 -5.045 1.00 0.00 N ATOM 634 NH2 ARG A 41 11.495 5.610 -6.401 1.00 0.00 N ATOM 0 H ARG A 41 5.851 0.534 -4.671 1.00 0.00 H new ATOM 0 HA ARG A 41 5.515 2.936 -3.109 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.710 2.097 -3.944 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.182 2.323 -5.600 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.631 4.820 -4.537 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.033 4.364 -3.591 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.348 3.683 -6.454 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.080 5.397 -6.208 1.00 0.00 H new ATOM 0 HE ARG A 41 10.245 3.906 -4.674 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.404 6.923 -4.391 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.716 7.688 -5.294 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.741 4.707 -6.807 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.028 6.443 -6.650 1.00 0.00 H new ATOM 648 N GLU A 42 4.584 3.029 -6.284 1.00 0.00 N ATOM 649 CA GLU A 42 3.735 3.810 -7.225 1.00 0.00 C ATOM 650 C GLU A 42 2.430 4.198 -6.528 1.00 0.00 C ATOM 651 O GLU A 42 1.983 5.325 -6.608 1.00 0.00 O ATOM 652 CB GLU A 42 3.422 2.957 -8.456 1.00 0.00 C ATOM 653 CG GLU A 42 2.333 3.640 -9.286 1.00 0.00 C ATOM 654 CD GLU A 42 2.567 3.352 -10.769 1.00 0.00 C ATOM 655 OE1 GLU A 42 3.272 4.124 -11.399 1.00 0.00 O ATOM 656 OE2 GLU A 42 2.041 2.362 -11.250 1.00 0.00 O ATOM 0 H GLU A 42 5.019 2.196 -6.680 1.00 0.00 H new ATOM 0 HA GLU A 42 4.265 4.711 -7.533 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.321 2.822 -9.057 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.092 1.964 -8.150 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.350 3.278 -8.985 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.345 4.715 -9.107 1.00 0.00 H new ATOM 663 N ILE A 43 1.816 3.273 -5.842 1.00 0.00 N ATOM 664 CA ILE A 43 0.542 3.593 -5.139 1.00 0.00 C ATOM 665 C ILE A 43 0.803 4.664 -4.078 1.00 0.00 C ATOM 666 O ILE A 43 0.093 5.647 -3.987 1.00 0.00 O ATOM 667 CB ILE A 43 0.000 2.330 -4.468 1.00 0.00 C ATOM 668 CG1 ILE A 43 -0.442 1.333 -5.542 1.00 0.00 C ATOM 669 CG2 ILE A 43 -1.196 2.694 -3.586 1.00 0.00 C ATOM 670 CD1 ILE A 43 -1.699 1.856 -6.238 1.00 0.00 C ATOM 0 H ILE A 43 2.141 2.312 -5.738 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.189 3.964 -5.858 1.00 0.00 H new ATOM 0 HB ILE A 43 0.780 1.881 -3.854 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.356 1.189 -6.270 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.641 0.361 -5.091 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.583 1.794 -3.108 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.882 3.405 -2.822 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.977 3.143 -4.199 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.014 1.146 -7.003 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.497 1.977 -5.505 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.484 2.818 -6.703 1.00 0.00 H new ATOM 682 N ALA A 44 1.818 4.484 -3.278 1.00 0.00 N ATOM 683 CA ALA A 44 2.125 5.494 -2.227 1.00 0.00 C ATOM 684 C ALA A 44 2.339 6.859 -2.885 1.00 0.00 C ATOM 685 O ALA A 44 2.174 7.891 -2.265 1.00 0.00 O ATOM 686 CB ALA A 44 3.391 5.081 -1.475 1.00 0.00 C ATOM 0 H ALA A 44 2.447 3.682 -3.307 1.00 0.00 H new ATOM 0 HA ALA A 44 1.294 5.555 -1.524 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.615 5.820 -0.706 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.236 4.108 -1.009 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.225 5.020 -2.174 1.00 0.00 H new ATOM 692 N GLU A 45 2.697 6.873 -4.141 1.00 0.00 N ATOM 693 CA GLU A 45 2.914 8.170 -4.839 1.00 0.00 C ATOM 694 C GLU A 45 1.558 8.767 -5.215 1.00 0.00 C ATOM 695 O GLU A 45 1.357 9.964 -5.162 1.00 0.00 O ATOM 696 CB GLU A 45 3.743 7.939 -6.105 1.00 0.00 C ATOM 697 CG GLU A 45 5.128 8.563 -5.926 1.00 0.00 C ATOM 698 CD GLU A 45 5.852 8.594 -7.273 1.00 0.00 C ATOM 699 OE1 GLU A 45 5.174 8.592 -8.288 1.00 0.00 O ATOM 700 OE2 GLU A 45 7.072 8.622 -7.268 1.00 0.00 O ATOM 0 H GLU A 45 2.848 6.042 -4.712 1.00 0.00 H new ATOM 0 HA GLU A 45 3.448 8.857 -4.182 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.836 6.871 -6.302 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.242 8.380 -6.967 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.035 9.573 -5.528 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.707 7.988 -5.203 1.00 0.00 H new ATOM 707 N LEU A 46 0.620 7.938 -5.587 1.00 0.00 N ATOM 708 CA LEU A 46 -0.726 8.452 -5.955 1.00 0.00 C ATOM 709 C LEU A 46 -1.319 9.194 -4.757 1.00 0.00 C ATOM 710 O LEU A 46 -1.868 10.271 -4.887 1.00 0.00 O ATOM 711 CB LEU A 46 -1.634 7.280 -6.329 1.00 0.00 C ATOM 712 CG LEU A 46 -1.669 7.124 -7.849 1.00 0.00 C ATOM 713 CD1 LEU A 46 -0.969 5.824 -8.244 1.00 0.00 C ATOM 714 CD2 LEU A 46 -3.123 7.084 -8.325 1.00 0.00 C ATOM 0 H LEU A 46 0.730 6.926 -5.651 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.643 9.129 -6.805 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.269 6.362 -5.867 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.641 7.450 -5.947 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.158 7.968 -8.312 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.994 5.712 -9.328 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.067 5.851 -7.906 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.480 4.980 -7.781 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.148 6.973 -9.409 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.634 6.240 -7.862 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.624 8.011 -8.044 1.00 0.00 H new ATOM 726 N LYS A 47 -1.209 8.623 -3.590 1.00 0.00 N ATOM 727 CA LYS A 47 -1.760 9.288 -2.377 1.00 0.00 C ATOM 728 C LYS A 47 -0.627 9.993 -1.626 1.00 0.00 C ATOM 729 O LYS A 47 -0.692 10.191 -0.432 1.00 0.00 O ATOM 730 CB LYS A 47 -2.394 8.236 -1.464 1.00 0.00 C ATOM 731 CG LYS A 47 -3.162 7.220 -2.312 1.00 0.00 C ATOM 732 CD LYS A 47 -2.477 5.855 -2.217 1.00 0.00 C ATOM 733 CE LYS A 47 -2.433 5.405 -0.756 1.00 0.00 C ATOM 734 NZ LYS A 47 -1.048 4.979 -0.408 1.00 0.00 N ATOM 0 H LYS A 47 -0.760 7.722 -3.424 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.514 10.018 -2.672 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.622 7.731 -0.883 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.067 8.715 -0.753 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.193 7.146 -1.966 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.197 7.550 -3.350 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.017 5.123 -2.818 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.466 5.915 -2.620 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.749 6.219 -0.104 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.129 4.581 -0.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.085 4.242 0.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.578 4.601 -1.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.513 5.796 -0.051 1.00 0.00 H new ATOM 748 N MET A 48 0.412 10.372 -2.316 1.00 0.00 N ATOM 749 CA MET A 48 1.544 11.058 -1.635 1.00 0.00 C ATOM 750 C MET A 48 1.076 12.432 -1.123 1.00 0.00 C ATOM 751 O MET A 48 1.240 12.742 0.041 1.00 0.00 O ATOM 752 CB MET A 48 2.721 11.196 -2.624 1.00 0.00 C ATOM 753 CG MET A 48 3.436 12.542 -2.448 1.00 0.00 C ATOM 754 SD MET A 48 4.207 12.607 -0.811 1.00 0.00 S ATOM 755 CE MET A 48 5.796 13.299 -1.333 1.00 0.00 C ATOM 0 H MET A 48 0.526 10.237 -3.321 1.00 0.00 H new ATOM 0 HA MET A 48 1.882 10.475 -0.778 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.429 10.382 -2.468 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.353 11.107 -3.646 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.192 12.668 -3.223 1.00 0.00 H new ATOM 0 HG3 MET A 48 2.725 13.361 -2.560 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.085 14.100 -0.653 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.556 12.518 -1.317 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.705 13.696 -2.344 1.00 0.00 H new ATOM 765 N PRO A 49 0.510 13.216 -2.008 1.00 0.00 N ATOM 766 CA PRO A 49 0.009 14.563 -1.675 1.00 0.00 C ATOM 767 C PRO A 49 -1.370 14.496 -1.003 1.00 0.00 C ATOM 768 O PRO A 49 -2.139 15.434 -1.064 1.00 0.00 O ATOM 769 CB PRO A 49 -0.099 15.248 -3.039 1.00 0.00 C ATOM 770 CG PRO A 49 -0.219 14.115 -4.088 1.00 0.00 C ATOM 771 CD PRO A 49 0.323 12.836 -3.422 1.00 0.00 C ATOM 0 HA PRO A 49 0.658 15.088 -0.974 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.968 15.905 -3.076 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.777 15.866 -3.234 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.256 13.981 -4.396 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.352 14.356 -4.985 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.378 12.007 -3.522 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.261 12.517 -3.876 1.00 0.00 H new ATOM 779 N ASP A 50 -1.696 13.402 -0.367 1.00 0.00 N ATOM 780 CA ASP A 50 -3.029 13.301 0.293 1.00 0.00 C ATOM 781 C ASP A 50 -2.850 12.966 1.776 1.00 0.00 C ATOM 782 O ASP A 50 -3.809 12.796 2.502 1.00 0.00 O ATOM 783 CB ASP A 50 -3.851 12.204 -0.385 1.00 0.00 C ATOM 784 CG ASP A 50 -3.877 12.447 -1.895 1.00 0.00 C ATOM 785 OD1 ASP A 50 -2.872 12.186 -2.536 1.00 0.00 O ATOM 786 OD2 ASP A 50 -4.902 12.893 -2.385 1.00 0.00 O ATOM 0 H ASP A 50 -1.100 12.579 -0.277 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.549 14.255 0.202 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.420 11.226 -0.170 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.867 12.198 0.011 1.00 0.00 H new ATOM 791 N LEU A 51 -1.632 12.874 2.234 1.00 0.00 N ATOM 792 CA LEU A 51 -1.398 12.557 3.672 1.00 0.00 C ATOM 793 C LEU A 51 -0.246 13.413 4.201 1.00 0.00 C ATOM 794 O LEU A 51 0.384 13.082 5.185 1.00 0.00 O ATOM 795 CB LEU A 51 -1.050 11.071 3.847 1.00 0.00 C ATOM 796 CG LEU A 51 -0.525 10.482 2.534 1.00 0.00 C ATOM 797 CD1 LEU A 51 0.688 9.596 2.822 1.00 0.00 C ATOM 798 CD2 LEU A 51 -1.626 9.641 1.884 1.00 0.00 C ATOM 0 H LEU A 51 -0.789 13.004 1.675 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.309 12.773 4.231 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.299 10.957 4.629 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.933 10.521 4.171 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.233 11.289 1.861 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.062 9.177 1.888 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.471 10.192 3.291 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.397 8.787 3.492 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.258 9.219 0.949 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.913 8.834 2.558 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.493 10.270 1.682 1.00 0.00 H new ATOM 810 N ASN A 52 0.033 14.513 3.556 1.00 0.00 N ATOM 811 CA ASN A 52 1.142 15.389 4.028 1.00 0.00 C ATOM 812 C ASN A 52 2.400 14.547 4.247 1.00 0.00 C ATOM 813 O ASN A 52 2.933 14.483 5.336 1.00 0.00 O ATOM 814 CB ASN A 52 0.739 16.054 5.345 1.00 0.00 C ATOM 815 CG ASN A 52 0.857 17.572 5.210 1.00 0.00 C ATOM 816 OD1 ASN A 52 1.917 18.132 5.414 1.00 0.00 O ATOM 817 ND2 ASN A 52 -0.193 18.269 4.872 1.00 0.00 N ATOM 0 H ASN A 52 -0.458 14.842 2.725 1.00 0.00 H new ATOM 0 HA ASN A 52 1.344 16.155 3.279 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.284 15.780 5.604 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.379 15.700 6.154 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -0.124 19.282 4.779 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.083 17.800 4.701 1.00 0.00 H new ATOM 824 N ALA A 53 2.878 13.899 3.220 1.00 0.00 N ATOM 825 CA ALA A 53 4.101 13.062 3.374 1.00 0.00 C ATOM 826 C ALA A 53 5.338 13.904 3.056 1.00 0.00 C ATOM 827 O ALA A 53 5.556 14.304 1.931 1.00 0.00 O ATOM 828 CB ALA A 53 4.032 11.875 2.412 1.00 0.00 C ATOM 0 H ALA A 53 2.475 13.913 2.283 1.00 0.00 H new ATOM 0 HA ALA A 53 4.163 12.696 4.399 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.927 11.263 2.525 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.151 11.275 2.638 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.969 12.241 1.387 1.00 0.00 H new ATOM 834 N ALA A 54 6.153 14.173 4.042 1.00 0.00 N ATOM 835 CA ALA A 54 7.377 14.987 3.794 1.00 0.00 C ATOM 836 C ALA A 54 8.063 14.497 2.518 1.00 0.00 C ATOM 837 O ALA A 54 8.763 15.235 1.855 1.00 0.00 O ATOM 838 CB ALA A 54 8.336 14.841 4.978 1.00 0.00 C ATOM 0 H ALA A 54 6.024 13.865 5.006 1.00 0.00 H new ATOM 0 HA ALA A 54 7.100 16.035 3.679 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.231 15.436 4.797 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.847 15.189 5.888 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.614 13.793 5.094 1.00 0.00 H new ATOM 844 N SER A 55 7.865 13.256 2.171 1.00 0.00 N ATOM 845 CA SER A 55 8.504 12.715 0.940 1.00 0.00 C ATOM 846 C SER A 55 8.059 11.266 0.740 1.00 0.00 C ATOM 847 O SER A 55 7.206 10.766 1.446 1.00 0.00 O ATOM 848 CB SER A 55 10.025 12.767 1.089 1.00 0.00 C ATOM 849 OG SER A 55 10.397 12.165 2.321 1.00 0.00 O ATOM 0 H SER A 55 7.288 12.593 2.688 1.00 0.00 H new ATOM 0 HA SER A 55 8.206 13.313 0.078 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.501 12.246 0.258 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.370 13.801 1.057 1.00 0.00 H new ATOM 0 HG SER A 55 11.372 12.195 2.419 1.00 0.00 H new ATOM 855 N ILE A 56 8.631 10.584 -0.213 1.00 0.00 N ATOM 856 CA ILE A 56 8.238 9.168 -0.448 1.00 0.00 C ATOM 857 C ILE A 56 8.692 8.317 0.738 1.00 0.00 C ATOM 858 O ILE A 56 7.947 7.517 1.261 1.00 0.00 O ATOM 859 CB ILE A 56 8.899 8.656 -1.726 1.00 0.00 C ATOM 860 CG1 ILE A 56 8.735 9.695 -2.838 1.00 0.00 C ATOM 861 CG2 ILE A 56 8.237 7.345 -2.153 1.00 0.00 C ATOM 862 CD1 ILE A 56 7.254 10.043 -2.994 1.00 0.00 C ATOM 0 H ILE A 56 9.352 10.945 -0.838 1.00 0.00 H new ATOM 0 HA ILE A 56 7.155 9.103 -0.554 1.00 0.00 H new ATOM 0 HB ILE A 56 9.960 8.485 -1.542 1.00 0.00 H new ATOM 0 HG12 ILE A 56 9.307 10.592 -2.600 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.129 9.305 -3.776 1.00 0.00 H new ATOM 0 HG21 ILE A 56 8.709 6.979 -3.065 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.354 6.604 -1.362 1.00 0.00 H new ATOM 0 HG23 ILE A 56 7.176 7.516 -2.336 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.136 10.783 -3.786 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.694 9.144 -3.251 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.875 10.451 -2.057 1.00 0.00 H new ATOM 874 N GLU A 57 9.909 8.485 1.175 1.00 0.00 N ATOM 875 CA GLU A 57 10.392 7.684 2.333 1.00 0.00 C ATOM 876 C GLU A 57 9.325 7.700 3.428 1.00 0.00 C ATOM 877 O GLU A 57 9.245 6.803 4.245 1.00 0.00 O ATOM 878 CB GLU A 57 11.689 8.290 2.873 1.00 0.00 C ATOM 879 CG GLU A 57 12.884 7.638 2.176 1.00 0.00 C ATOM 880 CD GLU A 57 14.162 7.946 2.959 1.00 0.00 C ATOM 881 OE1 GLU A 57 14.287 9.062 3.436 1.00 0.00 O ATOM 882 OE2 GLU A 57 14.994 7.060 3.068 1.00 0.00 O ATOM 0 H GLU A 57 10.587 9.139 0.783 1.00 0.00 H new ATOM 0 HA GLU A 57 10.582 6.658 2.017 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.698 9.367 2.703 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.754 8.136 3.950 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.736 6.560 2.110 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.971 8.011 1.156 1.00 0.00 H new ATOM 889 N ALA A 58 8.501 8.713 3.450 1.00 0.00 N ATOM 890 CA ALA A 58 7.437 8.789 4.489 1.00 0.00 C ATOM 891 C ALA A 58 6.184 8.063 3.991 1.00 0.00 C ATOM 892 O ALA A 58 5.493 7.414 4.751 1.00 0.00 O ATOM 893 CB ALA A 58 7.101 10.255 4.768 1.00 0.00 C ATOM 0 H ALA A 58 8.520 9.492 2.792 1.00 0.00 H new ATOM 0 HA ALA A 58 7.790 8.316 5.406 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.322 10.311 5.528 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.993 10.772 5.123 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.748 10.728 3.852 1.00 0.00 H new ATOM 899 N ALA A 59 5.885 8.167 2.724 1.00 0.00 N ATOM 900 CA ALA A 59 4.675 7.477 2.188 1.00 0.00 C ATOM 901 C ALA A 59 4.948 5.974 2.097 1.00 0.00 C ATOM 902 O ALA A 59 4.305 5.174 2.748 1.00 0.00 O ATOM 903 CB ALA A 59 4.349 8.026 0.798 1.00 0.00 C ATOM 0 H ALA A 59 6.423 8.697 2.039 1.00 0.00 H new ATOM 0 HA ALA A 59 3.829 7.653 2.852 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.465 7.522 0.406 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.156 9.097 0.866 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.193 7.851 0.130 1.00 0.00 H new ATOM 909 N MET A 60 5.900 5.586 1.293 1.00 0.00 N ATOM 910 CA MET A 60 6.226 4.139 1.159 1.00 0.00 C ATOM 911 C MET A 60 6.226 3.488 2.541 1.00 0.00 C ATOM 912 O MET A 60 5.971 2.308 2.682 1.00 0.00 O ATOM 913 CB MET A 60 7.611 3.990 0.531 1.00 0.00 C ATOM 914 CG MET A 60 7.472 3.810 -0.981 1.00 0.00 C ATOM 915 SD MET A 60 8.010 2.145 -1.441 1.00 0.00 S ATOM 916 CE MET A 60 9.741 2.551 -1.775 1.00 0.00 C ATOM 0 H MET A 60 6.468 6.212 0.721 1.00 0.00 H new ATOM 0 HA MET A 60 5.482 3.654 0.527 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.217 4.870 0.748 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.127 3.133 0.963 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.436 3.966 -1.283 1.00 0.00 H new ATOM 0 HG3 MET A 60 8.072 4.555 -1.504 1.00 0.00 H new ATOM 0 HE1 MET A 60 10.362 1.674 -1.593 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.848 2.862 -2.814 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.058 3.362 -1.119 1.00 0.00 H new ATOM 926 N ARG A 61 6.513 4.246 3.565 1.00 0.00 N ATOM 927 CA ARG A 61 6.532 3.667 4.936 1.00 0.00 C ATOM 928 C ARG A 61 5.134 3.165 5.290 1.00 0.00 C ATOM 929 O ARG A 61 4.953 2.032 5.687 1.00 0.00 O ATOM 930 CB ARG A 61 6.964 4.736 5.941 1.00 0.00 C ATOM 931 CG ARG A 61 8.385 4.436 6.421 1.00 0.00 C ATOM 932 CD ARG A 61 8.383 3.156 7.261 1.00 0.00 C ATOM 933 NE ARG A 61 9.137 2.088 6.545 1.00 0.00 N ATOM 934 CZ ARG A 61 10.140 1.491 7.131 1.00 0.00 C ATOM 935 NH1 ARG A 61 10.119 1.291 8.420 1.00 0.00 N ATOM 936 NH2 ARG A 61 11.164 1.095 6.426 1.00 0.00 N ATOM 0 H ARG A 61 6.735 5.240 3.510 1.00 0.00 H new ATOM 0 HA ARG A 61 7.238 2.837 4.971 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.925 5.722 5.479 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.278 4.753 6.788 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.052 4.321 5.566 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.764 5.270 7.011 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.837 3.346 8.234 1.00 0.00 H new ATOM 0 HD3 ARG A 61 7.359 2.831 7.445 1.00 0.00 H new ATOM 0 HE ARG A 61 8.870 1.823 5.597 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.319 1.601 8.971 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.903 0.825 8.877 1.00 0.00 H new ATOM 0 HH21 ARG A 61 11.181 1.252 5.418 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.948 0.629 6.883 1.00 0.00 H new ATOM 950 N MET A 62 4.144 3.998 5.145 1.00 0.00 N ATOM 951 CA MET A 62 2.755 3.567 5.469 1.00 0.00 C ATOM 952 C MET A 62 2.359 2.416 4.543 1.00 0.00 C ATOM 953 O MET A 62 1.496 1.620 4.859 1.00 0.00 O ATOM 954 CB MET A 62 1.794 4.741 5.261 1.00 0.00 C ATOM 955 CG MET A 62 2.233 5.923 6.126 1.00 0.00 C ATOM 956 SD MET A 62 1.324 7.406 5.623 1.00 0.00 S ATOM 957 CE MET A 62 2.717 8.559 5.682 1.00 0.00 C ATOM 0 H MET A 62 4.235 4.959 4.816 1.00 0.00 H new ATOM 0 HA MET A 62 2.705 3.239 6.507 1.00 0.00 H new ATOM 0 HB2 MET A 62 1.781 5.031 4.210 1.00 0.00 H new ATOM 0 HB3 MET A 62 0.778 4.443 5.522 1.00 0.00 H new ATOM 0 HG2 MET A 62 2.046 5.707 7.178 1.00 0.00 H new ATOM 0 HG3 MET A 62 3.305 6.087 6.020 1.00 0.00 H new ATOM 0 HE1 MET A 62 2.382 9.514 6.087 1.00 0.00 H new ATOM 0 HE2 MET A 62 3.501 8.150 6.319 1.00 0.00 H new ATOM 0 HE3 MET A 62 3.108 8.709 4.676 1.00 0.00 H new ATOM 967 N ILE A 63 2.982 2.325 3.398 1.00 0.00 N ATOM 968 CA ILE A 63 2.644 1.228 2.447 1.00 0.00 C ATOM 969 C ILE A 63 3.386 -0.049 2.854 1.00 0.00 C ATOM 970 O ILE A 63 2.966 -1.145 2.540 1.00 0.00 O ATOM 971 CB ILE A 63 3.056 1.644 1.029 1.00 0.00 C ATOM 972 CG1 ILE A 63 2.015 2.616 0.467 1.00 0.00 C ATOM 973 CG2 ILE A 63 3.138 0.413 0.122 1.00 0.00 C ATOM 974 CD1 ILE A 63 2.218 3.999 1.088 1.00 0.00 C ATOM 0 H ILE A 63 3.711 2.964 3.081 1.00 0.00 H new ATOM 0 HA ILE A 63 1.571 1.038 2.470 1.00 0.00 H new ATOM 0 HB ILE A 63 4.033 2.125 1.067 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.107 2.676 -0.617 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.010 2.253 0.682 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.431 0.720 -0.882 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.877 -0.283 0.519 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.164 -0.075 0.082 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.477 4.690 0.687 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.104 3.932 2.170 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.218 4.362 0.850 1.00 0.00 H new ATOM 986 N GLU A 64 4.480 0.079 3.553 1.00 0.00 N ATOM 987 CA GLU A 64 5.234 -1.134 3.976 1.00 0.00 C ATOM 988 C GLU A 64 4.709 -1.603 5.333 1.00 0.00 C ATOM 989 O GLU A 64 4.857 -2.751 5.705 1.00 0.00 O ATOM 990 CB GLU A 64 6.725 -0.803 4.087 1.00 0.00 C ATOM 991 CG GLU A 64 7.551 -2.032 3.699 1.00 0.00 C ATOM 992 CD GLU A 64 8.668 -2.245 4.723 1.00 0.00 C ATOM 993 OE1 GLU A 64 8.652 -1.572 5.741 1.00 0.00 O ATOM 994 OE2 GLU A 64 9.524 -3.078 4.472 1.00 0.00 O ATOM 0 H GLU A 64 4.883 0.968 3.849 1.00 0.00 H new ATOM 0 HA GLU A 64 5.099 -1.924 3.238 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.972 0.035 3.435 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.966 -0.497 5.105 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.911 -2.913 3.655 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.977 -1.897 2.705 1.00 0.00 H new ATOM 1001 N GLY A 65 4.085 -0.727 6.068 1.00 0.00 N ATOM 1002 CA GLY A 65 3.535 -1.122 7.394 1.00 0.00 C ATOM 1003 C GLY A 65 2.077 -1.534 7.211 1.00 0.00 C ATOM 1004 O GLY A 65 1.558 -2.365 7.929 1.00 0.00 O ATOM 0 H GLY A 65 3.932 0.247 5.808 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.112 -1.947 7.813 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.609 -0.292 8.097 1.00 0.00 H new ATOM 1008 N THR A 66 1.416 -0.958 6.244 1.00 0.00 N ATOM 1009 CA THR A 66 -0.007 -1.312 5.996 1.00 0.00 C ATOM 1010 C THR A 66 -0.073 -2.469 4.995 1.00 0.00 C ATOM 1011 O THR A 66 -1.005 -3.247 4.993 1.00 0.00 O ATOM 1012 CB THR A 66 -0.744 -0.097 5.426 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.376 1.063 6.160 1.00 0.00 O ATOM 1014 CG2 THR A 66 -2.254 -0.315 5.538 1.00 0.00 C ATOM 0 H THR A 66 1.803 -0.255 5.614 1.00 0.00 H new ATOM 0 HA THR A 66 -0.478 -1.613 6.932 1.00 0.00 H new ATOM 0 HB THR A 66 -0.475 0.034 4.378 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.198 1.632 5.606 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.778 0.550 5.132 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.536 -1.206 4.977 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.526 -0.445 6.585 1.00 0.00 H new ATOM 1022 N ALA A 67 0.913 -2.590 4.146 1.00 0.00 N ATOM 1023 CA ALA A 67 0.904 -3.700 3.151 1.00 0.00 C ATOM 1024 C ALA A 67 1.561 -4.935 3.772 1.00 0.00 C ATOM 1025 O ALA A 67 1.884 -5.888 3.091 1.00 0.00 O ATOM 1026 CB ALA A 67 1.683 -3.278 1.902 1.00 0.00 C ATOM 0 H ALA A 67 1.721 -1.970 4.099 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.123 -3.932 2.871 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.675 -4.091 1.176 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.217 -2.396 1.463 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.712 -3.046 2.176 1.00 0.00 H new ATOM 1032 N ARG A 68 1.758 -4.924 5.062 1.00 0.00 N ATOM 1033 CA ARG A 68 2.393 -6.095 5.732 1.00 0.00 C ATOM 1034 C ARG A 68 1.472 -6.606 6.843 1.00 0.00 C ATOM 1035 O ARG A 68 1.309 -7.795 7.029 1.00 0.00 O ATOM 1036 CB ARG A 68 3.733 -5.671 6.337 1.00 0.00 C ATOM 1037 CG ARG A 68 4.862 -6.492 5.709 1.00 0.00 C ATOM 1038 CD ARG A 68 5.041 -7.794 6.491 1.00 0.00 C ATOM 1039 NE ARG A 68 5.053 -7.500 7.952 1.00 0.00 N ATOM 1040 CZ ARG A 68 6.182 -7.253 8.559 1.00 0.00 C ATOM 1041 NH1 ARG A 68 7.007 -8.227 8.825 1.00 0.00 N ATOM 1042 NH2 ARG A 68 6.484 -6.030 8.901 1.00 0.00 N ATOM 0 H ARG A 68 1.506 -4.154 5.682 1.00 0.00 H new ATOM 0 HA ARG A 68 2.558 -6.887 5.002 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.902 -4.608 6.163 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.719 -5.819 7.417 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.631 -6.710 4.666 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.790 -5.920 5.717 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.232 -8.486 6.255 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.972 -8.280 6.200 1.00 0.00 H new ATOM 0 HE ARG A 68 4.179 -7.492 8.478 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.770 -9.183 8.559 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.889 -8.033 9.299 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.838 -5.268 8.694 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.366 -5.836 9.375 1.00 0.00 H new ATOM 1056 N SER A 69 0.866 -5.716 7.583 1.00 0.00 N ATOM 1057 CA SER A 69 -0.043 -6.153 8.679 1.00 0.00 C ATOM 1058 C SER A 69 -1.118 -7.080 8.111 1.00 0.00 C ATOM 1059 O SER A 69 -1.733 -7.846 8.826 1.00 0.00 O ATOM 1060 CB SER A 69 -0.709 -4.929 9.308 1.00 0.00 C ATOM 1061 OG SER A 69 0.080 -3.777 9.044 1.00 0.00 O ATOM 0 H SER A 69 0.962 -4.706 7.475 1.00 0.00 H new ATOM 0 HA SER A 69 0.533 -6.684 9.437 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.712 -4.798 8.902 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.817 -5.072 10.383 1.00 0.00 H new ATOM 0 HG SER A 69 -0.455 -3.120 8.551 1.00 0.00 H new ATOM 1067 N MET A 70 -1.351 -7.017 6.828 1.00 0.00 N ATOM 1068 CA MET A 70 -2.387 -7.895 6.215 1.00 0.00 C ATOM 1069 C MET A 70 -1.766 -9.250 5.868 1.00 0.00 C ATOM 1070 O MET A 70 -2.418 -10.274 5.921 1.00 0.00 O ATOM 1071 CB MET A 70 -2.925 -7.236 4.942 1.00 0.00 C ATOM 1072 CG MET A 70 -4.142 -6.375 5.289 1.00 0.00 C ATOM 1073 SD MET A 70 -3.667 -4.628 5.287 1.00 0.00 S ATOM 1074 CE MET A 70 -3.254 -4.506 3.530 1.00 0.00 C ATOM 0 H MET A 70 -0.869 -6.396 6.179 1.00 0.00 H new ATOM 0 HA MET A 70 -3.205 -8.041 6.921 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.151 -6.622 4.482 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.201 -7.998 4.214 1.00 0.00 H new ATOM 0 HG2 MET A 70 -4.940 -6.547 4.567 1.00 0.00 H new ATOM 0 HG3 MET A 70 -4.532 -6.656 6.267 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.296 -3.999 3.416 1.00 0.00 H new ATOM 0 HE2 MET A 70 -3.188 -5.506 3.101 1.00 0.00 H new ATOM 0 HE3 MET A 70 -4.028 -3.940 3.013 1.00 0.00 H new ATOM 1084 N GLY A 71 -0.508 -9.265 5.517 1.00 0.00 N ATOM 1085 CA GLY A 71 0.153 -10.556 5.172 1.00 0.00 C ATOM 1086 C GLY A 71 0.875 -10.427 3.829 1.00 0.00 C ATOM 1087 O GLY A 71 1.469 -11.369 3.342 1.00 0.00 O ATOM 0 H GLY A 71 0.089 -8.441 5.454 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.863 -10.831 5.952 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.589 -11.353 5.121 1.00 0.00 H new ATOM 1091 N ILE A 72 0.830 -9.271 3.223 1.00 0.00 N ATOM 1092 CA ILE A 72 1.516 -9.091 1.911 1.00 0.00 C ATOM 1093 C ILE A 72 2.971 -8.686 2.143 1.00 0.00 C ATOM 1094 O ILE A 72 3.259 -7.771 2.889 1.00 0.00 O ATOM 1095 CB ILE A 72 0.810 -7.996 1.110 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.610 -8.448 0.764 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.586 -7.729 -0.181 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.556 -7.249 0.840 1.00 0.00 C ATOM 0 H ILE A 72 0.349 -8.445 3.579 1.00 0.00 H new ATOM 0 HA ILE A 72 1.483 -10.029 1.357 1.00 0.00 H new ATOM 0 HB ILE A 72 0.766 -7.084 1.705 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.632 -8.880 -0.236 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.935 -9.226 1.455 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.084 -6.949 -0.753 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.598 -7.406 0.063 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.630 -8.642 -0.774 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.569 -7.568 0.594 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.541 -6.837 1.849 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.234 -6.486 0.131 1.00 0.00 H new ATOM 1110 N VAL A 73 3.893 -9.350 1.503 1.00 0.00 N ATOM 1111 CA VAL A 73 5.326 -8.990 1.684 1.00 0.00 C ATOM 1112 C VAL A 73 5.712 -7.950 0.625 1.00 0.00 C ATOM 1113 O VAL A 73 4.910 -7.575 -0.207 1.00 0.00 O ATOM 1114 CB VAL A 73 6.193 -10.261 1.557 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.797 -10.381 0.151 1.00 0.00 C ATOM 1116 CG2 VAL A 73 7.323 -10.206 2.587 1.00 0.00 C ATOM 0 H VAL A 73 3.716 -10.125 0.864 1.00 0.00 H new ATOM 0 HA VAL A 73 5.491 -8.562 2.673 1.00 0.00 H new ATOM 0 HB VAL A 73 5.559 -11.129 1.735 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.403 -11.285 0.091 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.996 -10.431 -0.586 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.422 -9.512 -0.052 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.938 -11.102 2.501 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.938 -9.325 2.405 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.899 -10.152 3.590 1.00 0.00 H new ATOM 1126 N VAL A 74 6.928 -7.481 0.646 1.00 0.00 N ATOM 1127 CA VAL A 74 7.344 -6.473 -0.366 1.00 0.00 C ATOM 1128 C VAL A 74 8.792 -6.756 -0.791 1.00 0.00 C ATOM 1129 O VAL A 74 9.632 -7.086 0.023 1.00 0.00 O ATOM 1130 CB VAL A 74 7.201 -5.061 0.242 1.00 0.00 C ATOM 1131 CG1 VAL A 74 8.559 -4.516 0.702 1.00 0.00 C ATOM 1132 CG2 VAL A 74 6.600 -4.118 -0.804 1.00 0.00 C ATOM 0 H VAL A 74 7.648 -7.751 1.316 1.00 0.00 H new ATOM 0 HA VAL A 74 6.710 -6.531 -1.251 1.00 0.00 H new ATOM 0 HB VAL A 74 6.546 -5.124 1.111 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.427 -3.520 1.126 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.980 -5.179 1.458 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.236 -4.461 -0.150 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.498 -3.120 -0.378 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.255 -4.076 -1.674 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.619 -4.486 -1.105 1.00 0.00 H new ATOM 1142 N GLU A 75 9.088 -6.635 -2.056 1.00 0.00 N ATOM 1143 CA GLU A 75 10.478 -6.906 -2.524 1.00 0.00 C ATOM 1144 C GLU A 75 11.262 -5.594 -2.596 1.00 0.00 C ATOM 1145 O GLU A 75 10.738 -4.530 -2.343 1.00 0.00 O ATOM 1146 CB GLU A 75 10.431 -7.546 -3.912 1.00 0.00 C ATOM 1147 CG GLU A 75 11.022 -8.955 -3.848 1.00 0.00 C ATOM 1148 CD GLU A 75 11.887 -9.202 -5.086 1.00 0.00 C ATOM 1149 OE1 GLU A 75 12.498 -8.256 -5.555 1.00 0.00 O ATOM 1150 OE2 GLU A 75 11.921 -10.332 -5.545 1.00 0.00 O ATOM 0 H GLU A 75 8.429 -6.361 -2.785 1.00 0.00 H new ATOM 0 HA GLU A 75 10.969 -7.583 -1.825 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.402 -7.588 -4.269 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.991 -6.938 -4.623 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.621 -9.069 -2.944 1.00 0.00 H new ATOM 0 HG3 GLU A 75 10.223 -9.694 -3.796 1.00 0.00 H new ATOM 1157 N ASP A 76 12.519 -5.670 -2.940 1.00 0.00 N ATOM 1158 CA ASP A 76 13.348 -4.433 -3.033 1.00 0.00 C ATOM 1159 C ASP A 76 13.537 -3.836 -1.638 1.00 0.00 C ATOM 1160 O ASP A 76 14.536 -4.149 -1.012 1.00 0.00 O ATOM 1161 CB ASP A 76 12.648 -3.412 -3.934 1.00 0.00 C ATOM 1162 CG ASP A 76 13.598 -2.986 -5.056 1.00 0.00 C ATOM 1163 OD1 ASP A 76 14.586 -2.337 -4.753 1.00 0.00 O ATOM 1164 OD2 ASP A 76 13.321 -3.316 -6.198 1.00 0.00 O ATOM 1165 OXT ASP A 76 12.681 -3.075 -1.219 1.00 0.00 O ATOM 0 H ASP A 76 13.009 -6.537 -3.161 1.00 0.00 H new ATOM 0 HA ASP A 76 14.321 -4.683 -3.456 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.741 -3.845 -4.356 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.345 -2.543 -3.350 1.00 0.00 H new