USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 667 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 HIS :FLIP no HD1:sc= -0.0938 F(o=-0.59,f=-0.094) USER MOD Single : A 19 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0724) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -2.64! X(o=-2.6!,f=-2.2) USER MOD Single : A 35 GLN : amide:sc= -4.62! C(o=-4.6!,f=-5.3!) USER MOD Single : A 36 MET CE :methyl 177:sc= -3.16! (180deg=-3.25!) USER MOD Single : A 38 LYS NZ :NH3+ -164:sc= -0.0506 (180deg=-0.349) USER MOD Single : A 40 ASN : amide:sc= -2.21! C(o=-2.2!,f=-3.3!) USER MOD Single : A 42 THR OG1 : rot -72:sc= 0.57 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 78:sc= 0.0485 USER MOD Single : A 59 HIS :FLIP no HD1:sc= -0.152 F(o=-1.2,f=-0.15) USER MOD Single : A 64 LYS NZ :NH3+ 145:sc= -2.19! (180deg=-4.15!) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.409 F(o=-2.7!,f=-0.41) USER MOD Single : A 67 LYS NZ :NH3+ -159:sc= -0.0421 (180deg=-0.459) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 163:sc= 1.53 (180deg=1.12) USER MOD Single : A 79 LYS NZ :NH3+ -164:sc= -0.0644 (180deg=-0.39) USER MOD Single : A 80 ASN : amide:sc= -3.37! C(o=-3.4!,f=-3.4!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -50:sc= 0.455 USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 86 HIS : no HD1:sc= 1.03 K(o=1,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 114 N VAL A 10 0.654 -11.781 -7.412 1.00 0.00 N ATOM 115 CA VAL A 10 -0.437 -10.890 -7.071 1.00 0.00 C ATOM 116 C VAL A 10 0.048 -9.452 -7.016 1.00 0.00 C ATOM 117 O VAL A 10 0.921 -9.116 -6.217 1.00 0.00 O ATOM 118 CB VAL A 10 -1.067 -11.250 -5.707 1.00 0.00 C ATOM 119 CG1 VAL A 10 -2.206 -10.297 -5.376 1.00 0.00 C ATOM 120 CG2 VAL A 10 -1.552 -12.692 -5.693 1.00 0.00 C ATOM 0 HA VAL A 10 -1.193 -11.003 -7.849 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.298 -11.147 -4.942 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.637 -10.566 -4.412 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.825 -9.277 -5.331 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.973 -10.364 -6.148 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.991 -12.919 -4.721 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.302 -12.831 -6.471 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.711 -13.361 -5.876 1.00 0.00 H new ATOM 130 N ASP A 11 -0.512 -8.614 -7.870 1.00 0.00 N ATOM 131 CA ASP A 11 -0.259 -7.184 -7.810 1.00 0.00 C ATOM 132 C ASP A 11 -1.507 -6.483 -7.301 1.00 0.00 C ATOM 133 O ASP A 11 -2.558 -6.540 -7.940 1.00 0.00 O ATOM 134 CB ASP A 11 0.119 -6.626 -9.188 1.00 0.00 C ATOM 135 CG ASP A 11 1.479 -7.090 -9.674 1.00 0.00 C ATOM 136 OD1 ASP A 11 2.487 -6.441 -9.327 1.00 0.00 O ATOM 137 OD2 ASP A 11 1.545 -8.086 -10.426 1.00 0.00 O ATOM 0 H ASP A 11 -1.147 -8.899 -8.616 1.00 0.00 H new ATOM 0 HA ASP A 11 0.578 -7.007 -7.135 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.639 -6.924 -9.913 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.109 -5.537 -9.146 1.00 0.00 H new ATOM 142 N VAL A 12 -1.397 -5.825 -6.160 1.00 0.00 N ATOM 143 CA VAL A 12 -2.545 -5.158 -5.565 1.00 0.00 C ATOM 144 C VAL A 12 -2.426 -3.645 -5.740 1.00 0.00 C ATOM 145 O VAL A 12 -1.326 -3.085 -5.653 1.00 0.00 O ATOM 146 CB VAL A 12 -2.718 -5.533 -4.070 1.00 0.00 C ATOM 147 CG1 VAL A 12 -1.957 -4.597 -3.147 1.00 0.00 C ATOM 148 CG2 VAL A 12 -4.185 -5.579 -3.693 1.00 0.00 C ATOM 0 H VAL A 12 -0.531 -5.738 -5.629 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.439 -5.501 -6.086 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.291 -6.527 -3.941 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.111 -4.902 -2.112 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.894 -4.638 -3.383 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.320 -3.578 -3.282 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.282 -5.844 -2.640 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.635 -4.601 -3.864 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.694 -6.325 -4.303 1.00 0.00 H new ATOM 158 N GLU A 13 -3.544 -2.992 -6.033 1.00 0.00 N ATOM 159 CA GLU A 13 -3.543 -1.563 -6.278 1.00 0.00 C ATOM 160 C GLU A 13 -4.079 -0.818 -5.069 1.00 0.00 C ATOM 161 O GLU A 13 -5.258 -0.920 -4.735 1.00 0.00 O ATOM 162 CB GLU A 13 -4.392 -1.220 -7.500 1.00 0.00 C ATOM 163 CG GLU A 13 -3.929 -1.893 -8.779 1.00 0.00 C ATOM 164 CD GLU A 13 -4.805 -1.537 -9.956 1.00 0.00 C ATOM 165 OE1 GLU A 13 -5.972 -1.982 -9.990 1.00 0.00 O ATOM 166 OE2 GLU A 13 -4.338 -0.804 -10.850 1.00 0.00 O ATOM 0 H GLU A 13 -4.461 -3.433 -6.106 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.514 -1.257 -6.465 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.425 -1.506 -7.304 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.382 -0.140 -7.645 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.901 -1.600 -8.991 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.930 -2.974 -8.640 1.00 0.00 H new ATOM 173 N ILE A 14 -3.207 -0.077 -4.418 1.00 0.00 N ATOM 174 CA ILE A 14 -3.606 0.754 -3.303 1.00 0.00 C ATOM 175 C ILE A 14 -3.476 2.216 -3.704 1.00 0.00 C ATOM 176 O ILE A 14 -2.557 2.575 -4.437 1.00 0.00 O ATOM 177 CB ILE A 14 -2.735 0.483 -2.056 1.00 0.00 C ATOM 178 CG1 ILE A 14 -2.799 -1.002 -1.671 1.00 0.00 C ATOM 179 CG2 ILE A 14 -3.177 1.363 -0.897 1.00 0.00 C ATOM 180 CD1 ILE A 14 -2.051 -1.349 -0.397 1.00 0.00 C ATOM 0 H ILE A 14 -2.213 -0.034 -4.644 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.639 0.518 -3.049 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.700 0.729 -2.294 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.844 -1.291 -1.555 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.393 -1.596 -2.490 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.553 1.159 -0.027 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.077 2.412 -1.178 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.218 1.150 -0.655 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.147 -2.416 -0.198 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.997 -1.095 -0.513 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.471 -0.785 0.436 1.00 0.00 H new ATOM 192 N HIS A 15 -4.394 3.055 -3.257 1.00 0.00 N ATOM 193 CA HIS A 15 -4.341 4.466 -3.599 1.00 0.00 C ATOM 194 C HIS A 15 -4.365 5.333 -2.354 1.00 0.00 C ATOM 195 O HIS A 15 -5.301 5.289 -1.560 1.00 0.00 O ATOM 196 CB HIS A 15 -5.492 4.852 -4.530 1.00 0.00 C ATOM 197 CG HIS A 15 -5.448 4.155 -5.850 1.00 0.00 C ATOM 198 ND1 HIS A 15 -4.670 4.363 -6.936 1.00 0.00 N flip ATOM 199 CD2 HIS A 15 -6.266 3.095 -6.164 1.00 0.00 C flip ATOM 200 CE1 HIS A 15 -5.027 3.433 -7.878 1.00 0.00 C flip ATOM 201 NE2 HIS A 15 -5.993 2.680 -7.383 1.00 0.00 N flip ATOM 0 H HIS A 15 -5.178 2.788 -2.662 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.400 4.638 -4.122 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -6.438 4.625 -4.039 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -5.470 5.929 -4.696 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -7.015 2.670 -5.512 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -4.591 3.333 -8.861 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -6.451 1.906 -7.865 1.00 0.00 H new ATOM 210 N PHE A 16 -3.316 6.107 -2.183 1.00 0.00 N ATOM 211 CA PHE A 16 -3.244 7.070 -1.106 1.00 0.00 C ATOM 212 C PHE A 16 -3.129 8.467 -1.693 1.00 0.00 C ATOM 213 O PHE A 16 -2.096 8.820 -2.251 1.00 0.00 O ATOM 214 CB PHE A 16 -2.043 6.795 -0.200 1.00 0.00 C ATOM 215 CG PHE A 16 -2.093 5.487 0.535 1.00 0.00 C ATOM 216 CD1 PHE A 16 -3.294 4.967 0.982 1.00 0.00 C ATOM 217 CD2 PHE A 16 -0.929 4.791 0.799 1.00 0.00 C ATOM 218 CE1 PHE A 16 -3.332 3.777 1.675 1.00 0.00 C ATOM 219 CE2 PHE A 16 -0.961 3.597 1.489 1.00 0.00 C ATOM 220 CZ PHE A 16 -2.162 3.092 1.928 1.00 0.00 C ATOM 0 H PHE A 16 -2.492 6.087 -2.784 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.150 6.988 -0.505 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.137 6.821 -0.805 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.963 7.602 0.529 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.213 5.500 0.786 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.017 5.187 0.461 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.276 3.381 2.019 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.044 3.060 1.684 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.189 2.159 2.471 1.00 0.00 H new ATOM 230 N PRO A 17 -4.195 9.266 -1.624 1.00 0.00 N ATOM 231 CA PRO A 17 -4.160 10.645 -2.107 1.00 0.00 C ATOM 232 C PRO A 17 -3.096 11.465 -1.386 1.00 0.00 C ATOM 233 O PRO A 17 -3.123 11.579 -0.154 1.00 0.00 O ATOM 234 CB PRO A 17 -5.550 11.184 -1.792 1.00 0.00 C ATOM 235 CG PRO A 17 -6.410 9.982 -1.615 1.00 0.00 C ATOM 236 CD PRO A 17 -5.514 8.893 -1.099 1.00 0.00 C ATOM 0 HA PRO A 17 -3.910 10.699 -3.167 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.539 11.795 -0.890 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -5.919 11.815 -2.600 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.220 10.184 -0.914 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.871 9.691 -2.559 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.517 8.852 -0.010 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -5.827 7.912 -1.456 1.00 0.00 H new ATOM 244 N LEU A 18 -2.182 12.046 -2.165 1.00 0.00 N ATOM 245 CA LEU A 18 -0.968 12.665 -1.640 1.00 0.00 C ATOM 246 C LEU A 18 -1.224 13.574 -0.442 1.00 0.00 C ATOM 247 O LEU A 18 -0.550 13.460 0.583 1.00 0.00 O ATOM 248 CB LEU A 18 -0.233 13.484 -2.710 1.00 0.00 C ATOM 249 CG LEU A 18 -0.923 13.678 -4.065 1.00 0.00 C ATOM 250 CD1 LEU A 18 -0.430 14.959 -4.718 1.00 0.00 C ATOM 251 CD2 LEU A 18 -0.634 12.502 -4.983 1.00 0.00 C ATOM 0 H LEU A 18 -2.265 12.100 -3.180 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.350 11.827 -1.318 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.029 14.471 -2.294 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.731 13.009 -2.891 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.998 13.742 -3.898 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.924 15.090 -5.680 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.659 15.808 -4.073 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.648 14.899 -4.869 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.132 12.657 -5.940 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.441 12.420 -5.142 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.004 11.584 -4.526 1.00 0.00 H new ATOM 263 N LYS A 19 -2.199 14.464 -0.559 1.00 0.00 N ATOM 264 CA LYS A 19 -2.374 15.516 0.438 1.00 0.00 C ATOM 265 C LYS A 19 -2.841 14.975 1.785 1.00 0.00 C ATOM 266 O LYS A 19 -2.545 15.557 2.827 1.00 0.00 O ATOM 267 CB LYS A 19 -3.333 16.603 -0.054 1.00 0.00 C ATOM 268 CG LYS A 19 -4.793 16.191 -0.189 1.00 0.00 C ATOM 269 CD LYS A 19 -5.602 17.319 -0.815 1.00 0.00 C ATOM 270 CE LYS A 19 -7.098 17.124 -0.676 1.00 0.00 C ATOM 271 NZ LYS A 19 -7.549 15.795 -1.149 1.00 0.00 N ATOM 0 H LYS A 19 -2.874 14.482 -1.323 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.389 15.959 0.585 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.276 17.448 0.632 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.984 16.956 -1.024 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.870 15.294 -0.804 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.200 15.942 0.791 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.320 18.263 -0.349 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.348 17.397 -1.872 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.381 17.248 0.369 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.615 17.900 -1.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.589 15.764 -1.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.189 15.628 -2.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.187 15.058 -0.511 1.00 0.00 H new ATOM 285 N ARG A 20 -3.566 13.874 1.770 1.00 0.00 N ATOM 286 CA ARG A 20 -4.092 13.321 3.010 1.00 0.00 C ATOM 287 C ARG A 20 -3.166 12.244 3.585 1.00 0.00 C ATOM 288 O ARG A 20 -3.104 12.065 4.798 1.00 0.00 O ATOM 289 CB ARG A 20 -5.517 12.787 2.824 1.00 0.00 C ATOM 290 CG ARG A 20 -5.632 11.540 1.968 1.00 0.00 C ATOM 291 CD ARG A 20 -7.084 11.107 1.816 1.00 0.00 C ATOM 292 NE ARG A 20 -7.832 11.938 0.863 1.00 0.00 N ATOM 293 CZ ARG A 20 -9.082 12.367 1.061 1.00 0.00 C ATOM 294 NH1 ARG A 20 -9.656 12.251 2.249 1.00 0.00 N ATOM 295 NH2 ARG A 20 -9.741 12.970 0.082 1.00 0.00 N ATOM 0 H ARG A 20 -3.804 13.349 0.929 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.136 14.134 3.734 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.939 12.575 3.806 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.127 13.572 2.378 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.202 11.730 0.985 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.054 10.733 2.418 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.115 10.068 1.487 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.574 11.148 2.789 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.368 12.205 -0.005 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.143 11.831 3.024 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.611 12.582 2.389 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.294 13.107 -0.825 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.695 13.297 0.235 1.00 0.00 H new ATOM 309 N ILE A 21 -2.421 11.550 2.726 1.00 0.00 N ATOM 310 CA ILE A 21 -1.481 10.532 3.201 1.00 0.00 C ATOM 311 C ILE A 21 -0.270 11.197 3.857 1.00 0.00 C ATOM 312 O ILE A 21 0.385 10.612 4.716 1.00 0.00 O ATOM 313 CB ILE A 21 -1.021 9.585 2.063 1.00 0.00 C ATOM 314 CG1 ILE A 21 -0.144 8.449 2.609 1.00 0.00 C ATOM 315 CG2 ILE A 21 -0.267 10.352 0.985 1.00 0.00 C ATOM 316 CD1 ILE A 21 -0.763 7.687 3.761 1.00 0.00 C ATOM 0 H ILE A 21 -2.447 11.670 1.713 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.005 9.924 3.939 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.916 9.149 1.619 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.072 7.751 1.800 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.810 8.865 2.934 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.044 9.664 0.199 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.917 11.117 0.561 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.612 10.825 1.422 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.080 6.903 4.087 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.953 8.370 4.589 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.702 7.238 3.438 1.00 0.00 H new ATOM 328 N ALA A 22 0.007 12.434 3.460 1.00 0.00 N ATOM 329 CA ALA A 22 1.094 13.203 4.055 1.00 0.00 C ATOM 330 C ALA A 22 0.646 13.847 5.358 1.00 0.00 C ATOM 331 O ALA A 22 1.464 14.350 6.134 1.00 0.00 O ATOM 332 CB ALA A 22 1.575 14.274 3.088 1.00 0.00 C ATOM 0 H ALA A 22 -0.506 12.926 2.729 1.00 0.00 H new ATOM 0 HA ALA A 22 1.917 12.520 4.268 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.386 14.840 3.546 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.933 13.803 2.172 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.751 14.948 2.852 1.00 0.00 H new ATOM 338 N ALA A 23 -0.653 13.807 5.603 1.00 0.00 N ATOM 339 CA ALA A 23 -1.243 14.490 6.740 1.00 0.00 C ATOM 340 C ALA A 23 -1.364 13.566 7.942 1.00 0.00 C ATOM 341 O ALA A 23 -1.030 12.382 7.878 1.00 0.00 O ATOM 342 CB ALA A 23 -2.615 15.026 6.367 1.00 0.00 C ATOM 0 H ALA A 23 -1.324 13.303 5.023 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.586 15.317 7.012 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.052 15.537 7.225 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.519 15.727 5.538 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.260 14.199 6.070 1.00 0.00 H new ATOM 348 N GLU A 24 -1.838 14.131 9.038 1.00 0.00 N ATOM 349 CA GLU A 24 -2.148 13.365 10.222 1.00 0.00 C ATOM 350 C GLU A 24 -3.660 13.282 10.321 1.00 0.00 C ATOM 351 O GLU A 24 -4.370 14.169 9.836 1.00 0.00 O ATOM 352 CB GLU A 24 -1.547 14.021 11.470 1.00 0.00 C ATOM 353 CG GLU A 24 -1.057 13.027 12.524 1.00 0.00 C ATOM 354 CD GLU A 24 -2.165 12.163 13.093 1.00 0.00 C ATOM 355 OE1 GLU A 24 -2.885 12.631 13.999 1.00 0.00 O ATOM 356 OE2 GLU A 24 -2.334 11.015 12.623 1.00 0.00 O ATOM 0 H GLU A 24 -2.017 15.131 9.128 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.717 12.366 10.156 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.713 14.655 11.168 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.295 14.673 11.921 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.295 12.385 12.082 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.579 13.575 13.336 1.00 0.00 H new ATOM 363 N GLY A 25 -4.155 12.229 10.928 1.00 0.00 N ATOM 364 CA GLY A 25 -5.570 11.966 10.893 1.00 0.00 C ATOM 365 C GLY A 25 -5.914 11.187 9.650 1.00 0.00 C ATOM 366 O GLY A 25 -7.052 11.183 9.196 1.00 0.00 O ATOM 0 H GLY A 25 -3.602 11.547 11.447 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.867 11.404 11.779 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.124 12.904 10.910 1.00 0.00 H new ATOM 370 N TYR A 26 -4.897 10.526 9.104 1.00 0.00 N ATOM 371 CA TYR A 26 -5.040 9.739 7.890 1.00 0.00 C ATOM 372 C TYR A 26 -6.035 8.599 8.104 1.00 0.00 C ATOM 373 O TYR A 26 -6.724 8.179 7.178 1.00 0.00 O ATOM 374 CB TYR A 26 -3.674 9.184 7.451 1.00 0.00 C ATOM 375 CG TYR A 26 -2.933 8.432 8.539 1.00 0.00 C ATOM 376 CD1 TYR A 26 -3.185 7.086 8.782 1.00 0.00 C ATOM 377 CD2 TYR A 26 -1.982 9.070 9.325 1.00 0.00 C ATOM 378 CE1 TYR A 26 -2.516 6.401 9.778 1.00 0.00 C ATOM 379 CE2 TYR A 26 -1.309 8.393 10.322 1.00 0.00 C ATOM 380 CZ TYR A 26 -1.579 7.059 10.545 1.00 0.00 C ATOM 381 OH TYR A 26 -0.909 6.382 11.540 1.00 0.00 O ATOM 0 H TYR A 26 -3.954 10.523 9.492 1.00 0.00 H new ATOM 0 HA TYR A 26 -5.423 10.386 7.101 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -3.821 8.519 6.600 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.052 10.010 7.107 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -3.917 6.567 8.181 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.765 10.114 9.153 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -2.726 5.356 9.954 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.574 8.906 10.925 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.283 6.990 11.985 1.00 0.00 H new ATOM 391 N ALA A 27 -6.103 8.112 9.340 1.00 0.00 N ATOM 392 CA ALA A 27 -7.041 7.056 9.694 1.00 0.00 C ATOM 393 C ALA A 27 -8.453 7.616 9.786 1.00 0.00 C ATOM 394 O ALA A 27 -9.434 6.896 9.604 1.00 0.00 O ATOM 395 CB ALA A 27 -6.637 6.407 11.010 1.00 0.00 C ATOM 0 H ALA A 27 -5.519 8.433 10.112 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.020 6.294 8.915 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.348 5.620 11.261 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.640 5.978 10.913 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.634 7.158 11.800 1.00 0.00 H new ATOM 401 N GLU A 28 -8.539 8.911 10.059 1.00 0.00 N ATOM 402 CA GLU A 28 -9.818 9.603 10.136 1.00 0.00 C ATOM 403 C GLU A 28 -10.345 9.853 8.727 1.00 0.00 C ATOM 404 O GLU A 28 -11.553 9.960 8.508 1.00 0.00 O ATOM 405 CB GLU A 28 -9.661 10.927 10.886 1.00 0.00 C ATOM 406 CG GLU A 28 -9.031 10.785 12.264 1.00 0.00 C ATOM 407 CD GLU A 28 -9.936 10.086 13.258 1.00 0.00 C ATOM 408 OE1 GLU A 28 -9.928 8.840 13.312 1.00 0.00 O ATOM 409 OE2 GLU A 28 -10.656 10.784 13.999 1.00 0.00 O ATOM 0 H GLU A 28 -7.730 9.508 10.232 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.529 8.982 10.681 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.051 11.603 10.286 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.641 11.392 10.992 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.098 10.228 12.176 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.777 11.774 12.645 1.00 0.00 H new ATOM 416 N ASP A 29 -9.415 9.955 7.779 1.00 0.00 N ATOM 417 CA ASP A 29 -9.752 10.062 6.364 1.00 0.00 C ATOM 418 C ASP A 29 -10.405 8.777 5.886 1.00 0.00 C ATOM 419 O ASP A 29 -9.727 7.780 5.621 1.00 0.00 O ATOM 420 CB ASP A 29 -8.499 10.348 5.531 1.00 0.00 C ATOM 421 CG ASP A 29 -8.110 11.809 5.545 1.00 0.00 C ATOM 422 OD1 ASP A 29 -7.475 12.261 6.518 1.00 0.00 O ATOM 423 OD2 ASP A 29 -8.446 12.519 4.578 1.00 0.00 O ATOM 0 H ASP A 29 -8.413 9.966 7.970 1.00 0.00 H new ATOM 0 HA ASP A 29 -10.451 10.889 6.238 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.670 9.752 5.913 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.672 10.032 4.502 1.00 0.00 H new ATOM 428 N GLU A 30 -11.721 8.816 5.748 1.00 0.00 N ATOM 429 CA GLU A 30 -12.500 7.622 5.479 1.00 0.00 C ATOM 430 C GLU A 30 -12.108 7.004 4.145 1.00 0.00 C ATOM 431 O GLU A 30 -12.152 5.788 3.986 1.00 0.00 O ATOM 432 CB GLU A 30 -13.987 7.957 5.487 1.00 0.00 C ATOM 433 CG GLU A 30 -14.880 6.732 5.453 1.00 0.00 C ATOM 434 CD GLU A 30 -16.347 7.085 5.440 1.00 0.00 C ATOM 435 OE1 GLU A 30 -16.929 7.249 6.533 1.00 0.00 O ATOM 436 OE2 GLU A 30 -16.925 7.193 4.338 1.00 0.00 O ATOM 0 H GLU A 30 -12.274 9.670 5.819 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.293 6.894 6.263 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.216 8.540 6.379 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.215 8.587 4.627 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.645 6.139 4.569 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -14.668 6.108 6.321 1.00 0.00 H new ATOM 443 N LEU A 31 -11.695 7.841 3.202 1.00 0.00 N ATOM 444 CA LEU A 31 -11.303 7.367 1.890 1.00 0.00 C ATOM 445 C LEU A 31 -10.130 6.410 2.020 1.00 0.00 C ATOM 446 O LEU A 31 -10.105 5.349 1.397 1.00 0.00 O ATOM 447 CB LEU A 31 -10.921 8.549 0.995 1.00 0.00 C ATOM 448 CG LEU A 31 -10.657 8.197 -0.469 1.00 0.00 C ATOM 449 CD1 LEU A 31 -11.920 7.659 -1.117 1.00 0.00 C ATOM 450 CD2 LEU A 31 -10.142 9.411 -1.224 1.00 0.00 C ATOM 0 H LEU A 31 -11.624 8.851 3.326 1.00 0.00 H new ATOM 0 HA LEU A 31 -12.143 6.842 1.435 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -11.721 9.289 1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.029 9.021 1.405 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.892 7.422 -0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.718 7.412 -2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -12.247 6.763 -0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -12.704 8.415 -1.069 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.959 9.142 -2.264 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.884 10.208 -1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.213 9.755 -0.770 1.00 0.00 H new ATOM 462 N LEU A 32 -9.181 6.773 2.873 1.00 0.00 N ATOM 463 CA LEU A 32 -7.987 5.991 3.073 1.00 0.00 C ATOM 464 C LEU A 32 -8.347 4.669 3.737 1.00 0.00 C ATOM 465 O LEU A 32 -7.854 3.605 3.359 1.00 0.00 O ATOM 466 CB LEU A 32 -7.024 6.778 3.958 1.00 0.00 C ATOM 467 CG LEU A 32 -5.559 6.576 3.631 1.00 0.00 C ATOM 468 CD1 LEU A 32 -5.187 7.338 2.368 1.00 0.00 C ATOM 469 CD2 LEU A 32 -4.681 6.997 4.795 1.00 0.00 C ATOM 0 H LEU A 32 -9.225 7.619 3.441 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.512 5.783 2.114 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.259 7.839 3.874 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.193 6.496 4.997 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.391 5.514 3.453 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.131 7.182 2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.789 6.977 1.534 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.374 8.402 2.516 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.634 6.842 4.535 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.849 8.051 5.014 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.929 6.400 5.673 1.00 0.00 H new ATOM 481 N LEU A 33 -9.238 4.758 4.713 1.00 0.00 N ATOM 482 CA LEU A 33 -9.668 3.599 5.474 1.00 0.00 C ATOM 483 C LEU A 33 -10.460 2.636 4.593 1.00 0.00 C ATOM 484 O LEU A 33 -10.217 1.431 4.601 1.00 0.00 O ATOM 485 CB LEU A 33 -10.525 4.047 6.655 1.00 0.00 C ATOM 486 CG LEU A 33 -10.429 3.168 7.898 1.00 0.00 C ATOM 487 CD1 LEU A 33 -9.054 3.303 8.533 1.00 0.00 C ATOM 488 CD2 LEU A 33 -11.517 3.532 8.892 1.00 0.00 C ATOM 0 H LEU A 33 -9.680 5.632 4.997 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.784 3.079 5.843 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.239 5.064 6.926 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.566 4.083 6.335 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.572 2.129 7.602 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.999 2.671 9.419 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.291 2.994 7.818 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.885 4.342 8.817 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.433 2.895 9.773 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -11.406 4.575 9.187 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.494 3.387 8.431 1.00 0.00 H new ATOM 500 N ASN A 34 -11.398 3.179 3.819 1.00 0.00 N ATOM 501 CA ASN A 34 -12.240 2.364 2.943 1.00 0.00 C ATOM 502 C ASN A 34 -11.393 1.599 1.939 1.00 0.00 C ATOM 503 O ASN A 34 -11.621 0.415 1.705 1.00 0.00 O ATOM 504 CB ASN A 34 -13.275 3.220 2.201 1.00 0.00 C ATOM 505 CG ASN A 34 -14.309 3.836 3.127 1.00 0.00 C ATOM 506 OD1 ASN A 34 -14.594 3.306 4.201 1.00 0.00 O ATOM 507 ND2 ASN A 34 -14.890 4.949 2.708 1.00 0.00 N ATOM 0 H ASN A 34 -11.595 4.179 3.780 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.772 1.654 3.576 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -12.761 4.014 1.660 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.782 2.604 1.458 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -15.603 5.400 3.282 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -14.625 5.356 1.811 1.00 0.00 H new ATOM 514 N GLN A 35 -10.401 2.269 1.366 1.00 0.00 N ATOM 515 CA GLN A 35 -9.525 1.632 0.390 1.00 0.00 C ATOM 516 C GLN A 35 -8.717 0.516 1.042 1.00 0.00 C ATOM 517 O GLN A 35 -8.605 -0.582 0.491 1.00 0.00 O ATOM 518 CB GLN A 35 -8.595 2.661 -0.249 1.00 0.00 C ATOM 519 CG GLN A 35 -9.333 3.694 -1.084 1.00 0.00 C ATOM 520 CD GLN A 35 -8.454 4.851 -1.503 1.00 0.00 C ATOM 521 OE1 GLN A 35 -7.861 4.840 -2.577 1.00 0.00 O ATOM 522 NE2 GLN A 35 -8.362 5.855 -0.644 1.00 0.00 N ATOM 0 H GLN A 35 -10.183 3.247 1.558 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.146 1.195 -0.393 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -8.033 3.170 0.534 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.870 2.145 -0.878 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.738 3.212 -1.974 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.180 4.076 -0.514 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -8.874 5.820 0.238 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -7.779 6.663 -0.864 1.00 0.00 H new ATOM 531 N MET A 36 -8.192 0.781 2.234 1.00 0.00 N ATOM 532 CA MET A 36 -7.385 -0.210 2.939 1.00 0.00 C ATOM 533 C MET A 36 -8.237 -1.138 3.796 1.00 0.00 C ATOM 534 O MET A 36 -7.717 -1.890 4.617 1.00 0.00 O ATOM 535 CB MET A 36 -6.311 0.457 3.789 1.00 0.00 C ATOM 536 CG MET A 36 -5.176 1.025 2.962 1.00 0.00 C ATOM 537 SD MET A 36 -4.598 -0.132 1.703 1.00 0.00 S ATOM 538 CE MET A 36 -4.124 -1.552 2.686 1.00 0.00 C ATOM 0 H MET A 36 -8.309 1.665 2.729 1.00 0.00 H new ATOM 0 HA MET A 36 -6.898 -0.818 2.176 1.00 0.00 H new ATOM 0 HB2 MET A 36 -6.763 1.257 4.375 1.00 0.00 H new ATOM 0 HB3 MET A 36 -5.911 -0.269 4.496 1.00 0.00 H new ATOM 0 HG2 MET A 36 -5.506 1.946 2.481 1.00 0.00 H new ATOM 0 HG3 MET A 36 -4.347 1.287 3.619 1.00 0.00 H new ATOM 0 HE1 MET A 36 -3.800 -2.358 2.028 1.00 0.00 H new ATOM 0 HE2 MET A 36 -3.307 -1.277 3.352 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.977 -1.887 3.277 1.00 0.00 H new ATOM 548 N GLY A 37 -9.545 -1.045 3.641 1.00 0.00 N ATOM 549 CA GLY A 37 -10.428 -2.065 4.169 1.00 0.00 C ATOM 550 C GLY A 37 -10.966 -2.933 3.050 1.00 0.00 C ATOM 551 O GLY A 37 -11.252 -4.117 3.237 1.00 0.00 O ATOM 0 H GLY A 37 -10.015 -0.280 3.158 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -9.891 -2.682 4.889 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.255 -1.597 4.704 1.00 0.00 H new ATOM 555 N LYS A 38 -11.078 -2.325 1.878 1.00 0.00 N ATOM 556 CA LYS A 38 -11.583 -2.986 0.684 1.00 0.00 C ATOM 557 C LYS A 38 -10.568 -3.972 0.117 1.00 0.00 C ATOM 558 O LYS A 38 -10.816 -5.176 0.057 1.00 0.00 O ATOM 559 CB LYS A 38 -11.910 -1.930 -0.372 1.00 0.00 C ATOM 560 CG LYS A 38 -12.301 -2.501 -1.725 1.00 0.00 C ATOM 561 CD LYS A 38 -12.456 -1.401 -2.765 1.00 0.00 C ATOM 562 CE LYS A 38 -12.723 -1.967 -4.150 1.00 0.00 C ATOM 563 NZ LYS A 38 -11.597 -2.805 -4.639 1.00 0.00 N ATOM 0 H LYS A 38 -10.818 -1.350 1.728 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.479 -3.545 0.956 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.724 -1.305 -0.005 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.044 -1.281 -0.501 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.544 -3.212 -2.055 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.237 -3.052 -1.633 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.275 -0.742 -2.478 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.551 -0.793 -2.789 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.635 -2.564 -4.128 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.895 -1.148 -4.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.689 -2.945 -5.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.695 -2.329 -4.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.618 -3.728 -4.160 1.00 0.00 H new ATOM 577 N VAL A 39 -9.412 -3.454 -0.277 1.00 0.00 N ATOM 578 CA VAL A 39 -8.424 -4.242 -1.002 1.00 0.00 C ATOM 579 C VAL A 39 -7.424 -4.865 -0.024 1.00 0.00 C ATOM 580 O VAL A 39 -6.267 -5.136 -0.346 1.00 0.00 O ATOM 581 CB VAL A 39 -7.710 -3.363 -2.060 1.00 0.00 C ATOM 582 CG1 VAL A 39 -6.656 -2.451 -1.436 1.00 0.00 C ATOM 583 CG2 VAL A 39 -7.118 -4.221 -3.161 1.00 0.00 C ATOM 0 H VAL A 39 -9.135 -2.487 -0.106 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.928 -5.053 -1.527 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.463 -2.712 -2.504 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.183 -1.855 -2.216 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.130 -1.790 -0.711 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.901 -3.057 -0.935 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.622 -3.583 -3.892 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.393 -4.914 -2.733 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.913 -4.784 -3.650 1.00 0.00 H new ATOM 593 N ASN A 40 -7.920 -5.141 1.165 1.00 0.00 N ATOM 594 CA ASN A 40 -7.087 -5.543 2.280 1.00 0.00 C ATOM 595 C ASN A 40 -7.778 -6.625 3.111 1.00 0.00 C ATOM 596 O ASN A 40 -7.236 -7.119 4.101 1.00 0.00 O ATOM 597 CB ASN A 40 -6.781 -4.304 3.119 1.00 0.00 C ATOM 598 CG ASN A 40 -6.041 -4.608 4.397 1.00 0.00 C ATOM 599 OD1 ASN A 40 -6.631 -4.683 5.477 1.00 0.00 O ATOM 600 ND2 ASN A 40 -4.750 -4.821 4.278 1.00 0.00 N ATOM 0 H ASN A 40 -8.915 -5.093 1.386 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.154 -5.973 1.915 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.190 -3.609 2.523 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.716 -3.800 3.362 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -4.195 -5.059 5.100 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -4.303 -4.748 3.364 1.00 0.00 H new ATOM 607 N ASP A 41 -8.971 -7.013 2.681 1.00 0.00 N ATOM 608 CA ASP A 41 -9.734 -8.046 3.375 1.00 0.00 C ATOM 609 C ASP A 41 -9.016 -9.386 3.281 1.00 0.00 C ATOM 610 O ASP A 41 -8.851 -10.090 4.276 1.00 0.00 O ATOM 611 CB ASP A 41 -11.137 -8.164 2.772 1.00 0.00 C ATOM 612 CG ASP A 41 -11.897 -9.365 3.297 1.00 0.00 C ATOM 613 OD1 ASP A 41 -11.740 -10.467 2.730 1.00 0.00 O ATOM 614 OD2 ASP A 41 -12.665 -9.211 4.267 1.00 0.00 O ATOM 0 H ASP A 41 -9.432 -6.630 1.856 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.822 -7.765 4.424 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.701 -7.257 2.992 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.058 -8.235 1.687 1.00 0.00 H new ATOM 619 N THR A 42 -8.582 -9.720 2.078 1.00 0.00 N ATOM 620 CA THR A 42 -7.840 -10.949 1.840 1.00 0.00 C ATOM 621 C THR A 42 -6.556 -10.652 1.064 1.00 0.00 C ATOM 622 O THR A 42 -6.438 -10.982 -0.116 1.00 0.00 O ATOM 623 CB THR A 42 -8.704 -11.965 1.067 1.00 0.00 C ATOM 624 OG1 THR A 42 -9.897 -11.323 0.585 1.00 0.00 O ATOM 625 CG2 THR A 42 -9.078 -13.142 1.954 1.00 0.00 C ATOM 0 H THR A 42 -8.732 -9.153 1.244 1.00 0.00 H new ATOM 0 HA THR A 42 -7.577 -11.382 2.805 1.00 0.00 H new ATOM 0 HB THR A 42 -8.124 -12.338 0.223 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.497 -11.139 1.338 1.00 0.00 H new ATOM 0 HG21 THR A 42 -9.688 -13.846 1.387 1.00 0.00 H new ATOM 0 HG22 THR A 42 -8.172 -13.641 2.297 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.643 -12.784 2.815 1.00 0.00 H new ATOM 633 N PRO A 43 -5.571 -10.027 1.731 1.00 0.00 N ATOM 634 CA PRO A 43 -4.361 -9.533 1.085 1.00 0.00 C ATOM 635 C PRO A 43 -3.207 -10.534 1.102 1.00 0.00 C ATOM 636 O PRO A 43 -2.043 -10.137 1.012 1.00 0.00 O ATOM 637 CB PRO A 43 -4.024 -8.321 1.944 1.00 0.00 C ATOM 638 CG PRO A 43 -4.468 -8.696 3.321 1.00 0.00 C ATOM 639 CD PRO A 43 -5.552 -9.741 3.174 1.00 0.00 C ATOM 0 HA PRO A 43 -4.514 -9.327 0.026 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -2.957 -8.102 1.918 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.541 -7.429 1.590 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.632 -9.088 3.901 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.845 -7.823 3.854 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.327 -10.635 3.756 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.516 -9.369 3.521 1.00 0.00 H new ATOM 647 N GLU A 44 -3.540 -11.824 1.237 1.00 0.00 N ATOM 648 CA GLU A 44 -2.557 -12.916 1.220 1.00 0.00 C ATOM 649 C GLU A 44 -1.698 -12.936 2.491 1.00 0.00 C ATOM 650 O GLU A 44 -1.664 -13.934 3.208 1.00 0.00 O ATOM 651 CB GLU A 44 -1.665 -12.822 -0.029 1.00 0.00 C ATOM 652 CG GLU A 44 -0.700 -13.987 -0.190 1.00 0.00 C ATOM 653 CD GLU A 44 -1.411 -15.318 -0.300 1.00 0.00 C ATOM 654 OE1 GLU A 44 -1.913 -15.640 -1.395 1.00 0.00 O ATOM 655 OE2 GLU A 44 -1.476 -16.048 0.708 1.00 0.00 O ATOM 0 H GLU A 44 -4.501 -12.141 1.361 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.114 -13.852 1.187 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.300 -12.765 -0.913 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.094 -11.894 0.014 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.091 -13.830 -1.080 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.020 -14.011 0.661 1.00 0.00 H new ATOM 662 N GLU A 45 -1.024 -11.827 2.758 1.00 0.00 N ATOM 663 CA GLU A 45 -0.098 -11.712 3.884 1.00 0.00 C ATOM 664 C GLU A 45 -0.843 -11.783 5.227 1.00 0.00 C ATOM 665 O GLU A 45 -0.905 -12.843 5.847 1.00 0.00 O ATOM 666 CB GLU A 45 0.700 -10.409 3.737 1.00 0.00 C ATOM 667 CG GLU A 45 1.556 -10.029 4.933 1.00 0.00 C ATOM 668 CD GLU A 45 2.885 -10.732 4.971 1.00 0.00 C ATOM 669 OE1 GLU A 45 3.708 -10.476 4.077 1.00 0.00 O ATOM 670 OE2 GLU A 45 3.125 -11.507 5.916 1.00 0.00 O ATOM 0 H GLU A 45 -1.102 -10.977 2.200 1.00 0.00 H new ATOM 0 HA GLU A 45 0.596 -12.552 3.875 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.345 -10.495 2.863 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.002 -9.596 3.539 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.724 -8.952 4.921 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.008 -10.256 5.848 1.00 0.00 H new ATOM 677 N GLU A 46 -1.421 -10.669 5.669 1.00 0.00 N ATOM 678 CA GLU A 46 -2.183 -10.648 6.917 1.00 0.00 C ATOM 679 C GLU A 46 -3.567 -10.048 6.693 1.00 0.00 C ATOM 680 O GLU A 46 -4.509 -10.752 6.328 1.00 0.00 O ATOM 681 CB GLU A 46 -1.456 -9.851 8.010 1.00 0.00 C ATOM 682 CG GLU A 46 -0.169 -10.488 8.518 1.00 0.00 C ATOM 683 CD GLU A 46 -0.403 -11.795 9.247 1.00 0.00 C ATOM 684 OE1 GLU A 46 -1.070 -11.783 10.300 1.00 0.00 O ATOM 685 OE2 GLU A 46 0.107 -12.834 8.785 1.00 0.00 O ATOM 0 H GLU A 46 -1.377 -9.772 5.185 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.283 -11.681 7.249 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.225 -8.858 7.623 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.134 -9.715 8.852 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.500 -10.663 7.676 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.336 -9.791 9.187 1.00 0.00 H new ATOM 692 N GLY A 47 -3.676 -8.739 6.891 1.00 0.00 N ATOM 693 CA GLY A 47 -4.939 -8.057 6.716 1.00 0.00 C ATOM 694 C GLY A 47 -4.882 -6.627 7.211 1.00 0.00 C ATOM 695 O GLY A 47 -4.133 -5.805 6.675 1.00 0.00 O ATOM 0 H GLY A 47 -2.903 -8.136 7.172 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.213 -8.065 5.661 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.720 -8.596 7.252 1.00 0.00 H new ATOM 699 N MET A 48 -5.638 -6.332 8.253 1.00 0.00 N ATOM 700 CA MET A 48 -5.661 -5.005 8.832 1.00 0.00 C ATOM 701 C MET A 48 -4.255 -4.551 9.263 1.00 0.00 C ATOM 702 O MET A 48 -3.905 -3.387 9.064 1.00 0.00 O ATOM 703 CB MET A 48 -6.663 -4.967 9.994 1.00 0.00 C ATOM 704 CG MET A 48 -6.680 -3.661 10.763 1.00 0.00 C ATOM 705 SD MET A 48 -5.375 -3.572 12.002 1.00 0.00 S ATOM 706 CE MET A 48 -5.466 -1.839 12.408 1.00 0.00 C ATOM 0 H MET A 48 -6.250 -7.003 8.718 1.00 0.00 H new ATOM 0 HA MET A 48 -5.990 -4.295 8.073 1.00 0.00 H new ATOM 0 HB2 MET A 48 -7.662 -5.157 9.602 1.00 0.00 H new ATOM 0 HB3 MET A 48 -6.431 -5.778 10.684 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.571 -2.831 10.065 1.00 0.00 H new ATOM 0 HG3 MET A 48 -7.648 -3.543 11.250 1.00 0.00 H new ATOM 0 HE1 MET A 48 -4.721 -1.604 13.168 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.273 -1.245 11.514 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.460 -1.607 12.790 1.00 0.00 H new ATOM 716 N PRO A 49 -3.419 -5.444 9.851 1.00 0.00 N ATOM 717 CA PRO A 49 -2.006 -5.136 10.101 1.00 0.00 C ATOM 718 C PRO A 49 -1.294 -4.641 8.843 1.00 0.00 C ATOM 719 O PRO A 49 -0.436 -3.763 8.911 1.00 0.00 O ATOM 720 CB PRO A 49 -1.428 -6.476 10.549 1.00 0.00 C ATOM 721 CG PRO A 49 -2.579 -7.184 11.164 1.00 0.00 C ATOM 722 CD PRO A 49 -3.782 -6.777 10.372 1.00 0.00 C ATOM 0 HA PRO A 49 -1.882 -4.338 10.833 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.021 -7.035 9.707 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.616 -6.340 11.264 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.436 -8.264 11.130 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.691 -6.910 12.213 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.988 -7.480 9.565 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.676 -6.735 10.994 1.00 0.00 H new ATOM 730 N LEU A 50 -1.642 -5.218 7.693 1.00 0.00 N ATOM 731 CA LEU A 50 -1.089 -4.761 6.420 1.00 0.00 C ATOM 732 C LEU A 50 -1.435 -3.323 6.181 1.00 0.00 C ATOM 733 O LEU A 50 -0.599 -2.531 5.776 1.00 0.00 O ATOM 734 CB LEU A 50 -1.617 -5.551 5.241 1.00 0.00 C ATOM 735 CG LEU A 50 -1.303 -7.030 5.218 1.00 0.00 C ATOM 736 CD1 LEU A 50 -1.131 -7.440 3.784 1.00 0.00 C ATOM 737 CD2 LEU A 50 -0.057 -7.350 6.030 1.00 0.00 C ATOM 0 H LEU A 50 -2.298 -5.995 7.617 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.011 -4.902 6.495 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.700 -5.433 5.210 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.222 -5.105 4.328 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.121 -7.587 5.675 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.903 -8.505 3.735 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.052 -7.240 3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.313 -6.873 3.339 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.138 -8.422 5.991 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.795 -6.811 5.616 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.210 -7.047 7.066 1.00 0.00 H new ATOM 749 N ARG A 51 -2.689 -3.008 6.424 1.00 0.00 N ATOM 750 CA ARG A 51 -3.176 -1.654 6.277 1.00 0.00 C ATOM 751 C ARG A 51 -2.357 -0.707 7.141 1.00 0.00 C ATOM 752 O ARG A 51 -1.974 0.369 6.701 1.00 0.00 O ATOM 753 CB ARG A 51 -4.672 -1.636 6.602 1.00 0.00 C ATOM 754 CG ARG A 51 -5.156 -0.526 7.517 1.00 0.00 C ATOM 755 CD ARG A 51 -6.658 -0.651 7.735 1.00 0.00 C ATOM 756 NE ARG A 51 -7.128 0.117 8.884 1.00 0.00 N ATOM 757 CZ ARG A 51 -8.342 -0.016 9.421 1.00 0.00 C ATOM 758 NH1 ARG A 51 -9.229 -0.849 8.880 1.00 0.00 N ATOM 759 NH2 ARG A 51 -8.672 0.691 10.494 1.00 0.00 N ATOM 0 H ARG A 51 -3.395 -3.679 6.727 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.057 -1.303 5.252 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.223 -1.569 5.664 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.933 -2.591 7.058 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.635 -0.578 8.473 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.923 0.445 7.080 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.180 -0.313 6.840 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.914 -1.701 7.876 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.491 0.795 9.301 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.982 -1.389 8.051 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.156 -0.947 9.295 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.998 1.335 10.907 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.600 0.590 10.906 1.00 0.00 H new ATOM 773 N ALA A 52 -2.053 -1.136 8.350 1.00 0.00 N ATOM 774 CA ALA A 52 -1.196 -0.370 9.238 1.00 0.00 C ATOM 775 C ALA A 52 0.229 -0.223 8.687 1.00 0.00 C ATOM 776 O ALA A 52 0.749 0.893 8.617 1.00 0.00 O ATOM 777 CB ALA A 52 -1.169 -1.009 10.619 1.00 0.00 C ATOM 0 H ALA A 52 -2.388 -2.016 8.743 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.616 0.633 9.312 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.524 -0.427 11.277 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.179 -1.032 11.029 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.785 -2.026 10.542 1.00 0.00 H new ATOM 783 N TRP A 53 0.859 -1.331 8.262 1.00 0.00 N ATOM 784 CA TRP A 53 2.254 -1.263 7.823 1.00 0.00 C ATOM 785 C TRP A 53 2.363 -0.557 6.480 1.00 0.00 C ATOM 786 O TRP A 53 3.268 0.251 6.265 1.00 0.00 O ATOM 787 CB TRP A 53 2.936 -2.661 7.809 1.00 0.00 C ATOM 788 CG TRP A 53 2.849 -3.478 6.548 1.00 0.00 C ATOM 789 CD1 TRP A 53 2.122 -4.615 6.401 1.00 0.00 C ATOM 790 CD2 TRP A 53 3.548 -3.293 5.298 1.00 0.00 C ATOM 791 NE1 TRP A 53 2.266 -5.115 5.133 1.00 0.00 N ATOM 792 CE2 TRP A 53 3.136 -4.330 4.441 1.00 0.00 C ATOM 793 CE3 TRP A 53 4.457 -2.349 4.809 1.00 0.00 C ATOM 794 CZ2 TRP A 53 3.597 -4.456 3.139 1.00 0.00 C ATOM 795 CZ3 TRP A 53 4.918 -2.480 3.510 1.00 0.00 C ATOM 796 CH2 TRP A 53 4.483 -3.529 2.690 1.00 0.00 C ATOM 0 H TRP A 53 0.435 -2.258 8.215 1.00 0.00 H new ATOM 0 HA TRP A 53 2.801 -0.669 8.555 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.991 -2.520 8.043 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.506 -3.250 8.619 1.00 0.00 H new ATOM 0 HD1 TRP A 53 1.515 -5.063 7.174 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.796 -5.943 4.767 1.00 0.00 H new ATOM 0 HE3 TRP A 53 4.793 -1.534 5.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 3.263 -5.263 2.504 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.625 -1.761 3.122 1.00 0.00 H new ATOM 0 HH2 TRP A 53 4.860 -3.602 1.680 1.00 0.00 H new ATOM 807 N VAL A 54 1.426 -0.845 5.590 1.00 0.00 N ATOM 808 CA VAL A 54 1.467 -0.315 4.241 1.00 0.00 C ATOM 809 C VAL A 54 1.194 1.192 4.237 1.00 0.00 C ATOM 810 O VAL A 54 1.884 1.944 3.550 1.00 0.00 O ATOM 811 CB VAL A 54 0.496 -1.076 3.304 1.00 0.00 C ATOM 812 CG1 VAL A 54 -0.869 -0.417 3.219 1.00 0.00 C ATOM 813 CG2 VAL A 54 1.105 -1.237 1.921 1.00 0.00 C ATOM 0 H VAL A 54 0.625 -1.446 5.782 1.00 0.00 H new ATOM 0 HA VAL A 54 2.473 -0.469 3.851 1.00 0.00 H new ATOM 0 HB VAL A 54 0.341 -2.063 3.739 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.509 -0.991 2.549 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.319 -0.383 4.211 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.760 0.597 2.835 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.408 -1.774 1.277 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.308 -0.254 1.496 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.036 -1.799 1.997 1.00 0.00 H new ATOM 823 N ILE A 55 0.205 1.632 5.019 1.00 0.00 N ATOM 824 CA ILE A 55 -0.090 3.051 5.145 1.00 0.00 C ATOM 825 C ILE A 55 1.082 3.787 5.782 1.00 0.00 C ATOM 826 O ILE A 55 1.493 4.835 5.297 1.00 0.00 O ATOM 827 CB ILE A 55 -1.379 3.294 5.966 1.00 0.00 C ATOM 828 CG1 ILE A 55 -2.594 2.781 5.192 1.00 0.00 C ATOM 829 CG2 ILE A 55 -1.549 4.765 6.316 1.00 0.00 C ATOM 830 CD1 ILE A 55 -3.903 2.921 5.940 1.00 0.00 C ATOM 0 H ILE A 55 -0.400 1.024 5.571 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.252 3.442 4.140 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.294 2.743 6.903 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.666 3.322 4.249 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.438 1.731 4.946 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.464 4.898 6.892 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.696 5.099 6.907 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.608 5.352 5.400 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.716 2.535 5.325 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.852 2.356 6.871 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.084 3.972 6.163 1.00 0.00 H new ATOM 842 N LYS A 56 1.636 3.214 6.844 1.00 0.00 N ATOM 843 CA LYS A 56 2.726 3.853 7.574 1.00 0.00 C ATOM 844 C LYS A 56 3.973 4.008 6.702 1.00 0.00 C ATOM 845 O LYS A 56 4.558 5.089 6.630 1.00 0.00 O ATOM 846 CB LYS A 56 3.060 3.051 8.832 1.00 0.00 C ATOM 847 CG LYS A 56 4.090 3.720 9.726 1.00 0.00 C ATOM 848 CD LYS A 56 4.345 2.914 10.989 1.00 0.00 C ATOM 849 CE LYS A 56 3.087 2.780 11.836 1.00 0.00 C ATOM 850 NZ LYS A 56 3.335 1.998 13.073 1.00 0.00 N ATOM 0 H LYS A 56 1.350 2.310 7.219 1.00 0.00 H new ATOM 0 HA LYS A 56 2.394 4.851 7.861 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.146 2.890 9.403 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.430 2.068 8.539 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.024 3.842 9.177 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.745 4.719 9.995 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.710 1.923 10.720 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.129 3.394 11.575 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.720 3.772 12.101 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.305 2.296 11.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.455 1.929 13.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 3.661 1.043 12.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.063 2.473 13.644 1.00 0.00 H new ATOM 864 N CYS A 57 4.366 2.934 6.030 1.00 0.00 N ATOM 865 CA CYS A 57 5.568 2.954 5.206 1.00 0.00 C ATOM 866 C CYS A 57 5.389 3.866 3.996 1.00 0.00 C ATOM 867 O CYS A 57 6.316 4.582 3.606 1.00 0.00 O ATOM 868 CB CYS A 57 5.925 1.537 4.759 1.00 0.00 C ATOM 869 SG CYS A 57 6.201 0.395 6.134 1.00 0.00 S ATOM 0 H CYS A 57 3.873 2.041 6.039 1.00 0.00 H new ATOM 0 HA CYS A 57 6.386 3.351 5.807 1.00 0.00 H new ATOM 0 HB2 CYS A 57 5.123 1.150 4.131 1.00 0.00 H new ATOM 0 HB3 CYS A 57 6.823 1.574 4.142 1.00 0.00 H new ATOM 0 HG CYS A 57 5.057 0.028 6.629 1.00 0.00 H new ATOM 875 N ALA A 58 4.203 3.836 3.403 1.00 0.00 N ATOM 876 CA ALA A 58 3.884 4.723 2.294 1.00 0.00 C ATOM 877 C ALA A 58 3.848 6.169 2.769 1.00 0.00 C ATOM 878 O ALA A 58 4.340 7.066 2.091 1.00 0.00 O ATOM 879 CB ALA A 58 2.555 4.340 1.672 1.00 0.00 C ATOM 0 H ALA A 58 3.446 3.207 3.672 1.00 0.00 H new ATOM 0 HA ALA A 58 4.661 4.623 1.536 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.333 5.014 0.845 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.608 3.316 1.302 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.767 4.414 2.422 1.00 0.00 H new ATOM 885 N HIS A 59 3.260 6.372 3.943 1.00 0.00 N ATOM 886 CA HIS A 59 3.160 7.692 4.557 1.00 0.00 C ATOM 887 C HIS A 59 4.538 8.335 4.673 1.00 0.00 C ATOM 888 O HIS A 59 4.749 9.445 4.192 1.00 0.00 O ATOM 889 CB HIS A 59 2.507 7.562 5.944 1.00 0.00 C ATOM 890 CG HIS A 59 2.242 8.855 6.667 1.00 0.00 C ATOM 891 ND1 HIS A 59 2.699 10.113 6.459 1.00 0.00 N flip ATOM 892 CD2 HIS A 59 1.428 8.932 7.776 1.00 0.00 C flip ATOM 893 CE1 HIS A 59 2.160 10.912 7.437 1.00 0.00 C flip ATOM 894 NE2 HIS A 59 1.397 10.175 8.217 1.00 0.00 N flip ATOM 0 H HIS A 59 2.839 5.626 4.496 1.00 0.00 H new ATOM 0 HA HIS A 59 2.542 8.333 3.928 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.562 7.030 5.831 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.149 6.942 6.570 1.00 0.00 H new ATOM 0 HD2 HIS A 59 0.897 8.102 8.217 1.00 0.00 H new ATOM 0 HE1 HIS A 59 2.334 11.972 7.548 1.00 0.00 H new ATOM 0 HE2 HIS A 59 0.871 10.508 9.025 1.00 0.00 H new ATOM 903 N GLU A 60 5.470 7.634 5.301 1.00 0.00 N ATOM 904 CA GLU A 60 6.803 8.179 5.508 1.00 0.00 C ATOM 905 C GLU A 60 7.548 8.344 4.182 1.00 0.00 C ATOM 906 O GLU A 60 8.271 9.318 3.997 1.00 0.00 O ATOM 907 CB GLU A 60 7.600 7.309 6.482 1.00 0.00 C ATOM 908 CG GLU A 60 7.709 5.854 6.078 1.00 0.00 C ATOM 909 CD GLU A 60 8.486 5.037 7.084 1.00 0.00 C ATOM 910 OE1 GLU A 60 7.873 4.506 8.030 1.00 0.00 O ATOM 911 OE2 GLU A 60 9.719 4.923 6.938 1.00 0.00 O ATOM 0 H GLU A 60 5.330 6.695 5.673 1.00 0.00 H new ATOM 0 HA GLU A 60 6.694 9.170 5.950 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.604 7.722 6.581 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.134 7.366 7.466 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.709 5.434 5.967 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.194 5.785 5.104 1.00 0.00 H new ATOM 918 N ALA A 61 7.349 7.412 3.255 1.00 0.00 N ATOM 919 CA ALA A 61 7.996 7.488 1.946 1.00 0.00 C ATOM 920 C ALA A 61 7.486 8.688 1.155 1.00 0.00 C ATOM 921 O ALA A 61 8.223 9.305 0.388 1.00 0.00 O ATOM 922 CB ALA A 61 7.763 6.206 1.161 1.00 0.00 C ATOM 0 H ALA A 61 6.748 6.598 3.383 1.00 0.00 H new ATOM 0 HA ALA A 61 9.067 7.612 2.107 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.252 6.280 0.189 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.177 5.362 1.712 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.693 6.056 1.018 1.00 0.00 H new ATOM 928 N LEU A 62 6.221 9.011 1.358 1.00 0.00 N ATOM 929 CA LEU A 62 5.573 10.115 0.663 1.00 0.00 C ATOM 930 C LEU A 62 5.860 11.438 1.366 1.00 0.00 C ATOM 931 O LEU A 62 6.113 12.439 0.725 1.00 0.00 O ATOM 932 CB LEU A 62 4.063 9.826 0.595 1.00 0.00 C ATOM 933 CG LEU A 62 3.130 10.864 -0.071 1.00 0.00 C ATOM 934 CD1 LEU A 62 2.944 12.105 0.787 1.00 0.00 C ATOM 935 CD2 LEU A 62 3.623 11.245 -1.448 1.00 0.00 C ATOM 0 H LEU A 62 5.612 8.516 2.009 1.00 0.00 H new ATOM 0 HA LEU A 62 5.967 10.204 -0.349 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.932 8.881 0.068 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.711 9.674 1.615 1.00 0.00 H new ATOM 0 HG LEU A 62 2.156 10.385 -0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.281 12.804 0.277 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.506 11.823 1.745 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.911 12.579 0.955 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.945 11.976 -1.888 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.621 11.677 -1.371 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.660 10.358 -2.080 1.00 0.00 H new ATOM 947 N GLU A 63 5.821 11.441 2.683 1.00 0.00 N ATOM 948 CA GLU A 63 5.957 12.679 3.438 1.00 0.00 C ATOM 949 C GLU A 63 7.423 13.105 3.549 1.00 0.00 C ATOM 950 O GLU A 63 7.727 14.299 3.614 1.00 0.00 O ATOM 951 CB GLU A 63 5.307 12.495 4.821 1.00 0.00 C ATOM 952 CG GLU A 63 5.337 13.716 5.728 1.00 0.00 C ATOM 953 CD GLU A 63 6.592 13.795 6.576 1.00 0.00 C ATOM 954 OE1 GLU A 63 7.063 12.738 7.051 1.00 0.00 O ATOM 955 OE2 GLU A 63 7.108 14.913 6.777 1.00 0.00 O ATOM 0 H GLU A 63 5.697 10.606 3.255 1.00 0.00 H new ATOM 0 HA GLU A 63 5.443 13.483 2.911 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.269 12.196 4.678 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.808 11.673 5.332 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.260 14.616 5.118 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.465 13.698 6.381 1.00 0.00 H new ATOM 962 N LYS A 64 8.334 12.139 3.534 1.00 0.00 N ATOM 963 CA LYS A 64 9.756 12.442 3.650 1.00 0.00 C ATOM 964 C LYS A 64 10.337 12.665 2.264 1.00 0.00 C ATOM 965 O LYS A 64 11.430 13.204 2.098 1.00 0.00 O ATOM 966 CB LYS A 64 10.493 11.301 4.358 1.00 0.00 C ATOM 967 CG LYS A 64 11.912 11.648 4.780 1.00 0.00 C ATOM 968 CD LYS A 64 12.610 10.483 5.476 1.00 0.00 C ATOM 969 CE LYS A 64 12.140 10.283 6.916 1.00 0.00 C ATOM 970 NZ LYS A 64 10.706 9.887 7.018 1.00 0.00 N ATOM 0 H LYS A 64 8.116 11.147 3.443 1.00 0.00 H new ATOM 0 HA LYS A 64 9.881 13.347 4.245 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.924 11.007 5.240 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.523 10.436 3.696 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.488 11.942 3.903 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.890 12.508 5.450 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.431 9.569 4.910 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.686 10.655 5.471 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.756 9.518 7.389 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.295 11.207 7.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.583 9.230 7.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.122 10.734 7.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.411 9.421 6.136 1.00 0.00 H new ATOM 984 N ASN A 65 9.570 12.252 1.274 1.00 0.00 N ATOM 985 CA ASN A 65 9.946 12.387 -0.117 1.00 0.00 C ATOM 986 C ASN A 65 8.685 12.678 -0.931 1.00 0.00 C ATOM 987 O ASN A 65 8.210 11.850 -1.707 1.00 0.00 O ATOM 988 CB ASN A 65 10.656 11.102 -0.571 1.00 0.00 C ATOM 989 CG ASN A 65 10.977 11.058 -2.042 1.00 0.00 C ATOM 990 OD1 ASN A 65 10.170 10.341 -2.788 1.00 0.00 O flip ATOM 991 ND2 ASN A 65 11.963 11.636 -2.500 1.00 0.00 N flip ATOM 0 H ASN A 65 8.662 11.810 1.415 1.00 0.00 H new ATOM 0 HA ASN A 65 10.642 13.213 -0.266 1.00 0.00 H new ATOM 0 HB2 ASN A 65 11.582 10.993 -0.006 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.028 10.247 -0.322 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.565 12.183 -1.885 1.00 0.00 H new ATOM 0 HD22 ASN A 65 12.178 11.567 -3.495 1.00 0.00 H new ATOM 998 N PRO A 66 8.105 13.875 -0.745 1.00 0.00 N ATOM 999 CA PRO A 66 6.793 14.214 -1.298 1.00 0.00 C ATOM 1000 C PRO A 66 6.866 14.677 -2.749 1.00 0.00 C ATOM 1001 O PRO A 66 6.146 15.583 -3.169 1.00 0.00 O ATOM 1002 CB PRO A 66 6.340 15.328 -0.355 1.00 0.00 C ATOM 1003 CG PRO A 66 7.596 16.056 -0.030 1.00 0.00 C ATOM 1004 CD PRO A 66 8.677 15.004 0.024 1.00 0.00 C ATOM 0 HA PRO A 66 6.108 13.367 -1.344 1.00 0.00 H new ATOM 0 HB2 PRO A 66 5.611 15.983 -0.832 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.868 14.925 0.541 1.00 0.00 H new ATOM 0 HG2 PRO A 66 7.819 16.808 -0.787 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.510 16.578 0.923 1.00 0.00 H new ATOM 0 HD2 PRO A 66 9.606 15.361 -0.420 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.904 14.715 1.050 1.00 0.00 H new ATOM 1012 N LYS A 67 7.746 14.038 -3.508 1.00 0.00 N ATOM 1013 CA LYS A 67 7.934 14.355 -4.916 1.00 0.00 C ATOM 1014 C LYS A 67 7.418 13.220 -5.792 1.00 0.00 C ATOM 1015 O LYS A 67 7.179 13.406 -6.985 1.00 0.00 O ATOM 1016 CB LYS A 67 9.416 14.596 -5.237 1.00 0.00 C ATOM 1017 CG LYS A 67 9.993 15.899 -4.694 1.00 0.00 C ATOM 1018 CD LYS A 67 10.065 15.909 -3.177 1.00 0.00 C ATOM 1019 CE LYS A 67 10.860 17.096 -2.664 1.00 0.00 C ATOM 1020 NZ LYS A 67 12.281 17.032 -3.091 1.00 0.00 N ATOM 0 H LYS A 67 8.347 13.288 -3.166 1.00 0.00 H new ATOM 0 HA LYS A 67 7.372 15.266 -5.123 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.998 13.765 -4.838 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.544 14.584 -6.319 1.00 0.00 H new ATOM 0 HG2 LYS A 67 10.992 16.050 -5.104 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.380 16.734 -5.032 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.057 15.940 -2.764 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.524 14.984 -2.828 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.411 18.020 -3.030 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.808 17.126 -1.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.860 17.624 -2.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.614 16.048 -3.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.366 17.379 -4.068 1.00 0.00 H new ATOM 1034 N ILE A 68 7.251 12.045 -5.194 1.00 0.00 N ATOM 1035 CA ILE A 68 6.860 10.862 -5.948 1.00 0.00 C ATOM 1036 C ILE A 68 5.364 10.820 -6.215 1.00 0.00 C ATOM 1037 O ILE A 68 4.631 11.762 -5.912 1.00 0.00 O ATOM 1038 CB ILE A 68 7.301 9.548 -5.259 1.00 0.00 C ATOM 1039 CG1 ILE A 68 6.979 9.521 -3.751 1.00 0.00 C ATOM 1040 CG2 ILE A 68 8.779 9.306 -5.501 1.00 0.00 C ATOM 1041 CD1 ILE A 68 5.517 9.379 -3.429 1.00 0.00 C ATOM 0 H ILE A 68 7.380 11.888 -4.194 1.00 0.00 H new ATOM 0 HA ILE A 68 7.382 10.940 -6.902 1.00 0.00 H new ATOM 0 HB ILE A 68 6.723 8.740 -5.708 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.521 8.695 -3.291 1.00 0.00 H new ATOM 0 HG13 ILE A 68 7.351 10.439 -3.296 1.00 0.00 H new ATOM 0 HG21 ILE A 68 9.081 8.379 -5.013 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.964 9.229 -6.572 1.00 0.00 H new ATOM 0 HG23 ILE A 68 9.355 10.136 -5.092 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.382 9.369 -2.347 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.967 10.218 -3.856 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.141 8.447 -3.850 1.00 0.00 H new ATOM 1053 N ARG A 69 4.925 9.706 -6.777 1.00 0.00 N ATOM 1054 CA ARG A 69 3.536 9.551 -7.190 1.00 0.00 C ATOM 1055 C ARG A 69 3.040 8.140 -6.890 1.00 0.00 C ATOM 1056 O ARG A 69 1.842 7.881 -6.911 1.00 0.00 O ATOM 1057 CB ARG A 69 3.387 9.867 -8.682 1.00 0.00 C ATOM 1058 CG ARG A 69 4.062 8.857 -9.598 1.00 0.00 C ATOM 1059 CD ARG A 69 4.220 9.394 -11.010 1.00 0.00 C ATOM 1060 NE ARG A 69 5.162 10.513 -11.057 1.00 0.00 N ATOM 1061 CZ ARG A 69 6.426 10.409 -11.466 1.00 0.00 C ATOM 1062 NH1 ARG A 69 6.909 9.239 -11.865 1.00 0.00 N ATOM 1063 NH2 ARG A 69 7.210 11.479 -11.468 1.00 0.00 N ATOM 0 H ARG A 69 5.511 8.892 -6.959 1.00 0.00 H new ATOM 0 HA ARG A 69 2.926 10.255 -6.623 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.326 9.914 -8.929 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.804 10.855 -8.877 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.042 8.599 -9.195 1.00 0.00 H new ATOM 0 HG3 ARG A 69 3.475 7.939 -9.622 1.00 0.00 H new ATOM 0 HD2 ARG A 69 4.568 8.597 -11.667 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.250 9.718 -11.388 1.00 0.00 H new ATOM 0 HE ARG A 69 4.830 11.430 -10.758 1.00 0.00 H new ATOM 0 HH11 ARG A 69 6.312 8.412 -11.860 1.00 0.00 H new ATOM 0 HH12 ARG A 69 7.877 9.167 -12.177 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.845 12.379 -11.157 1.00 0.00 H new ATOM 0 HH22 ARG A 69 8.178 11.402 -11.781 1.00 0.00 H new ATOM 1077 N GLU A 70 3.971 7.225 -6.648 1.00 0.00 N ATOM 1078 CA GLU A 70 3.641 5.879 -6.207 1.00 0.00 C ATOM 1079 C GLU A 70 4.887 5.181 -5.666 1.00 0.00 C ATOM 1080 O GLU A 70 6.012 5.628 -5.909 1.00 0.00 O ATOM 1081 CB GLU A 70 3.009 5.074 -7.344 1.00 0.00 C ATOM 1082 CG GLU A 70 3.886 4.948 -8.582 1.00 0.00 C ATOM 1083 CD GLU A 70 3.224 4.148 -9.683 1.00 0.00 C ATOM 1084 OE1 GLU A 70 2.385 4.714 -10.412 1.00 0.00 O ATOM 1085 OE2 GLU A 70 3.539 2.950 -9.831 1.00 0.00 O ATOM 0 H GLU A 70 4.971 7.396 -6.752 1.00 0.00 H new ATOM 0 HA GLU A 70 2.909 5.946 -5.402 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.771 4.075 -6.978 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.067 5.543 -7.626 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.127 5.943 -8.955 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.828 4.473 -8.309 1.00 0.00 H new ATOM 1092 N VAL A 71 4.688 4.107 -4.924 1.00 0.00 N ATOM 1093 CA VAL A 71 5.792 3.359 -4.348 1.00 0.00 C ATOM 1094 C VAL A 71 5.585 1.860 -4.554 1.00 0.00 C ATOM 1095 O VAL A 71 4.450 1.382 -4.668 1.00 0.00 O ATOM 1096 CB VAL A 71 5.968 3.683 -2.842 1.00 0.00 C ATOM 1097 CG1 VAL A 71 4.789 3.186 -2.024 1.00 0.00 C ATOM 1098 CG2 VAL A 71 7.276 3.119 -2.301 1.00 0.00 C ATOM 0 H VAL A 71 3.766 3.731 -4.705 1.00 0.00 H new ATOM 0 HA VAL A 71 6.705 3.660 -4.862 1.00 0.00 H new ATOM 0 HB VAL A 71 6.006 4.768 -2.749 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.946 3.430 -0.973 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.875 3.665 -2.375 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.698 2.106 -2.136 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.368 3.364 -1.243 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.284 2.036 -2.425 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.113 3.553 -2.848 1.00 0.00 H new ATOM 1108 N TYR A 72 6.685 1.126 -4.595 1.00 0.00 N ATOM 1109 CA TYR A 72 6.646 -0.302 -4.848 1.00 0.00 C ATOM 1110 C TYR A 72 7.005 -1.045 -3.572 1.00 0.00 C ATOM 1111 O TYR A 72 8.133 -0.951 -3.086 1.00 0.00 O ATOM 1112 CB TYR A 72 7.632 -0.671 -5.960 1.00 0.00 C ATOM 1113 CG TYR A 72 7.614 0.285 -7.135 1.00 0.00 C ATOM 1114 CD1 TYR A 72 6.702 0.136 -8.174 1.00 0.00 C ATOM 1115 CD2 TYR A 72 8.514 1.342 -7.198 1.00 0.00 C ATOM 1116 CE1 TYR A 72 6.690 1.015 -9.243 1.00 0.00 C ATOM 1117 CE2 TYR A 72 8.508 2.223 -8.261 1.00 0.00 C ATOM 1118 CZ TYR A 72 7.596 2.057 -9.279 1.00 0.00 C ATOM 1119 OH TYR A 72 7.593 2.937 -10.339 1.00 0.00 O ATOM 0 H TYR A 72 7.623 1.501 -4.455 1.00 0.00 H new ATOM 0 HA TYR A 72 5.642 -0.583 -5.167 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.639 -0.702 -5.544 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.403 -1.675 -6.317 1.00 0.00 H new ATOM 0 HD1 TYR A 72 5.992 -0.678 -8.146 1.00 0.00 H new ATOM 0 HD2 TYR A 72 9.231 1.477 -6.401 1.00 0.00 H new ATOM 0 HE1 TYR A 72 5.977 0.887 -10.044 1.00 0.00 H new ATOM 0 HE2 TYR A 72 9.215 3.038 -8.294 1.00 0.00 H new ATOM 0 HH TYR A 72 8.293 3.610 -10.207 1.00 0.00 H new ATOM 1129 N LEU A 73 6.042 -1.764 -3.027 1.00 0.00 N ATOM 1130 CA LEU A 73 6.216 -2.425 -1.747 1.00 0.00 C ATOM 1131 C LEU A 73 6.002 -3.925 -1.860 1.00 0.00 C ATOM 1132 O LEU A 73 5.159 -4.386 -2.626 1.00 0.00 O ATOM 1133 CB LEU A 73 5.227 -1.851 -0.729 1.00 0.00 C ATOM 1134 CG LEU A 73 5.530 -0.440 -0.223 1.00 0.00 C ATOM 1135 CD1 LEU A 73 4.464 0.000 0.770 1.00 0.00 C ATOM 1136 CD2 LEU A 73 6.908 -0.387 0.419 1.00 0.00 C ATOM 0 H LEU A 73 5.126 -1.906 -3.453 1.00 0.00 H new ATOM 0 HA LEU A 73 7.240 -2.248 -1.418 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.234 -1.849 -1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.188 -2.523 0.129 1.00 0.00 H new ATOM 0 HG LEU A 73 5.522 0.243 -1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.690 1.006 1.124 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.489 -0.003 0.282 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.449 -0.687 1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.106 0.625 0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.944 -1.079 1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.663 -0.668 -0.315 1.00 0.00 H new ATOM 1148 N LYS A 74 6.775 -4.687 -1.107 1.00 0.00 N ATOM 1149 CA LYS A 74 6.519 -6.108 -0.967 1.00 0.00 C ATOM 1150 C LYS A 74 6.188 -6.446 0.481 1.00 0.00 C ATOM 1151 O LYS A 74 6.868 -5.998 1.406 1.00 0.00 O ATOM 1152 CB LYS A 74 7.695 -6.972 -1.420 1.00 0.00 C ATOM 1153 CG LYS A 74 7.438 -8.438 -1.115 1.00 0.00 C ATOM 1154 CD LYS A 74 8.618 -9.338 -1.397 1.00 0.00 C ATOM 1155 CE LYS A 74 8.396 -10.689 -0.740 1.00 0.00 C ATOM 1156 NZ LYS A 74 8.593 -10.628 0.734 1.00 0.00 N ATOM 0 H LYS A 74 7.582 -4.347 -0.585 1.00 0.00 H new ATOM 0 HA LYS A 74 5.672 -6.331 -1.615 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.857 -6.842 -2.490 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.606 -6.646 -0.918 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.160 -8.537 -0.066 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.586 -8.777 -1.704 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.745 -9.462 -2.472 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.534 -8.884 -1.018 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.386 -11.037 -0.957 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.083 -11.418 -1.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.164 -11.466 1.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.611 -10.607 0.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.142 -9.769 1.109 1.00 0.00 H new ATOM 1170 N PRO A 75 5.105 -7.207 0.682 1.00 0.00 N ATOM 1171 CA PRO A 75 4.734 -7.752 1.991 1.00 0.00 C ATOM 1172 C PRO A 75 5.882 -8.491 2.672 1.00 0.00 C ATOM 1173 O PRO A 75 6.754 -9.070 2.019 1.00 0.00 O ATOM 1174 CB PRO A 75 3.595 -8.710 1.654 1.00 0.00 C ATOM 1175 CG PRO A 75 2.984 -8.121 0.440 1.00 0.00 C ATOM 1176 CD PRO A 75 4.130 -7.576 -0.355 1.00 0.00 C ATOM 0 HA PRO A 75 4.460 -6.969 2.697 1.00 0.00 H new ATOM 0 HB2 PRO A 75 3.963 -9.719 1.467 1.00 0.00 H new ATOM 0 HB3 PRO A 75 2.876 -8.779 2.470 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.434 -8.872 -0.127 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.275 -7.334 0.699 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.534 -8.319 -1.043 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.833 -6.715 -0.954 1.00 0.00 H new ATOM 1184 N ARG A 76 5.831 -8.479 3.998 1.00 0.00 N ATOM 1185 CA ARG A 76 6.935 -8.914 4.852 1.00 0.00 C ATOM 1186 C ARG A 76 7.251 -10.385 4.656 1.00 0.00 C ATOM 1187 O ARG A 76 8.404 -10.799 4.779 1.00 0.00 O ATOM 1188 CB ARG A 76 6.573 -8.687 6.317 1.00 0.00 C ATOM 1189 CG ARG A 76 5.810 -7.391 6.564 1.00 0.00 C ATOM 1190 CD ARG A 76 5.360 -7.253 8.011 1.00 0.00 C ATOM 1191 NE ARG A 76 4.517 -8.370 8.445 1.00 0.00 N ATOM 1192 CZ ARG A 76 3.577 -8.269 9.388 1.00 0.00 C ATOM 1193 NH1 ARG A 76 3.348 -7.101 9.976 1.00 0.00 N ATOM 1194 NH2 ARG A 76 2.870 -9.336 9.745 1.00 0.00 N ATOM 0 H ARG A 76 5.013 -8.164 4.519 1.00 0.00 H new ATOM 0 HA ARG A 76 7.812 -8.329 4.576 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.971 -9.525 6.668 1.00 0.00 H new ATOM 0 HB3 ARG A 76 7.487 -8.680 6.911 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.443 -6.544 6.300 1.00 0.00 H new ATOM 0 HG3 ARG A 76 4.939 -7.354 5.910 1.00 0.00 H new ATOM 0 HD2 ARG A 76 6.236 -7.191 8.656 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.810 -6.319 8.130 1.00 0.00 H new ATOM 0 HE ARG A 76 4.656 -9.278 8.001 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.890 -6.280 9.708 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.630 -7.025 10.696 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.045 -10.236 9.298 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.153 -9.255 10.466 1.00 0.00 H new ATOM 1208 N ALA A 77 6.222 -11.171 4.373 1.00 0.00 N ATOM 1209 CA ALA A 77 6.374 -12.606 4.237 1.00 0.00 C ATOM 1210 C ALA A 77 7.232 -12.953 3.038 1.00 0.00 C ATOM 1211 O ALA A 77 6.865 -12.710 1.884 1.00 0.00 O ATOM 1212 CB ALA A 77 5.023 -13.289 4.132 1.00 0.00 C ATOM 0 H ALA A 77 5.270 -10.833 4.233 1.00 0.00 H new ATOM 0 HA ALA A 77 6.875 -12.970 5.134 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.166 -14.365 4.031 1.00 0.00 H new ATOM 0 HB2 ALA A 77 4.441 -13.083 5.030 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.491 -12.910 3.260 1.00 0.00 H new ATOM 1218 N VAL A 78 8.393 -13.494 3.334 1.00 0.00 N ATOM 1219 CA VAL A 78 9.282 -14.026 2.315 1.00 0.00 C ATOM 1220 C VAL A 78 8.602 -15.183 1.590 1.00 0.00 C ATOM 1221 O VAL A 78 8.774 -15.369 0.386 1.00 0.00 O ATOM 1222 CB VAL A 78 10.606 -14.513 2.943 1.00 0.00 C ATOM 1223 CG1 VAL A 78 11.553 -15.044 1.882 1.00 0.00 C ATOM 1224 CG2 VAL A 78 11.261 -13.392 3.734 1.00 0.00 C ATOM 0 H VAL A 78 8.751 -13.579 4.285 1.00 0.00 H new ATOM 0 HA VAL A 78 9.507 -13.231 1.604 1.00 0.00 H new ATOM 0 HB VAL A 78 10.376 -15.332 3.625 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.477 -15.380 2.354 1.00 0.00 H new ATOM 0 HG12 VAL A 78 11.086 -15.881 1.363 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.778 -14.253 1.166 1.00 0.00 H new ATOM 0 HG21 VAL A 78 12.193 -13.751 4.170 1.00 0.00 H new ATOM 0 HG22 VAL A 78 11.471 -12.553 3.071 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.590 -13.067 4.529 1.00 0.00 H new ATOM 1234 N LYS A 79 7.791 -15.922 2.336 1.00 0.00 N ATOM 1235 CA LYS A 79 7.088 -17.091 1.821 1.00 0.00 C ATOM 1236 C LYS A 79 6.073 -16.712 0.744 1.00 0.00 C ATOM 1237 O LYS A 79 5.753 -17.522 -0.126 1.00 0.00 O ATOM 1238 CB LYS A 79 6.391 -17.821 2.972 1.00 0.00 C ATOM 1239 CG LYS A 79 5.613 -19.057 2.543 1.00 0.00 C ATOM 1240 CD LYS A 79 4.978 -19.765 3.729 1.00 0.00 C ATOM 1241 CE LYS A 79 6.028 -20.334 4.675 1.00 0.00 C ATOM 1242 NZ LYS A 79 6.967 -21.259 3.982 1.00 0.00 N ATOM 0 H LYS A 79 7.601 -15.727 3.319 1.00 0.00 H new ATOM 0 HA LYS A 79 7.823 -17.751 1.360 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.139 -18.113 3.709 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.709 -17.129 3.467 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.837 -18.770 1.833 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.281 -19.745 2.024 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.341 -19.066 4.271 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.336 -20.570 3.371 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.592 -19.516 5.124 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.533 -20.864 5.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.482 -21.824 4.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.431 -21.893 3.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.645 -20.707 3.419 1.00 0.00 H new ATOM 1256 N ASN A 80 5.576 -15.478 0.792 1.00 0.00 N ATOM 1257 CA ASN A 80 4.586 -15.029 -0.184 1.00 0.00 C ATOM 1258 C ASN A 80 5.179 -15.000 -1.585 1.00 0.00 C ATOM 1259 O ASN A 80 4.466 -15.170 -2.575 1.00 0.00 O ATOM 1260 CB ASN A 80 4.034 -13.650 0.167 1.00 0.00 C ATOM 1261 CG ASN A 80 3.021 -13.679 1.288 1.00 0.00 C ATOM 1262 OD1 ASN A 80 2.393 -14.706 1.549 1.00 0.00 O ATOM 1263 ND2 ASN A 80 2.829 -12.546 1.942 1.00 0.00 N ATOM 0 H ASN A 80 5.838 -14.779 1.487 1.00 0.00 H new ATOM 0 HA ASN A 80 3.765 -15.745 -0.158 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.860 -12.997 0.450 1.00 0.00 H new ATOM 0 HB3 ASN A 80 3.572 -13.215 -0.719 1.00 0.00 H new ATOM 0 HD21 ASN A 80 2.140 -12.501 2.693 1.00 0.00 H new ATOM 0 HD22 ASN A 80 3.370 -11.717 1.695 1.00 0.00 H new ATOM 1270 N SER A 81 6.491 -14.768 -1.650 1.00 0.00 N ATOM 1271 CA SER A 81 7.251 -14.842 -2.894 1.00 0.00 C ATOM 1272 C SER A 81 6.857 -13.746 -3.894 1.00 0.00 C ATOM 1273 O SER A 81 7.502 -12.698 -3.959 1.00 0.00 O ATOM 1274 CB SER A 81 7.113 -16.240 -3.519 1.00 0.00 C ATOM 1275 OG SER A 81 7.836 -16.351 -4.736 1.00 0.00 O ATOM 0 H SER A 81 7.056 -14.523 -0.837 1.00 0.00 H new ATOM 0 HA SER A 81 8.298 -14.667 -2.646 1.00 0.00 H new ATOM 0 HB2 SER A 81 7.472 -16.990 -2.814 1.00 0.00 H new ATOM 0 HB3 SER A 81 6.060 -16.453 -3.702 1.00 0.00 H new ATOM 0 HG SER A 81 7.725 -17.254 -5.101 1.00 0.00 H new ATOM 1281 N SER A 82 5.788 -13.972 -4.645 1.00 0.00 N ATOM 1282 CA SER A 82 5.464 -13.122 -5.781 1.00 0.00 C ATOM 1283 C SER A 82 4.237 -12.247 -5.519 1.00 0.00 C ATOM 1284 O SER A 82 3.421 -12.017 -6.416 1.00 0.00 O ATOM 1285 CB SER A 82 5.242 -13.994 -7.017 1.00 0.00 C ATOM 1286 OG SER A 82 5.133 -13.216 -8.195 1.00 0.00 O ATOM 0 H SER A 82 5.131 -14.736 -4.488 1.00 0.00 H new ATOM 0 HA SER A 82 6.304 -12.447 -5.947 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.069 -14.696 -7.120 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.336 -14.586 -6.887 1.00 0.00 H new ATOM 0 HG SER A 82 4.481 -12.498 -8.054 1.00 0.00 H new ATOM 1292 N VAL A 83 4.105 -11.754 -4.302 1.00 0.00 N ATOM 1293 CA VAL A 83 3.060 -10.790 -4.002 1.00 0.00 C ATOM 1294 C VAL A 83 3.666 -9.392 -3.970 1.00 0.00 C ATOM 1295 O VAL A 83 4.698 -9.166 -3.335 1.00 0.00 O ATOM 1296 CB VAL A 83 2.344 -11.104 -2.665 1.00 0.00 C ATOM 1297 CG1 VAL A 83 3.304 -11.022 -1.493 1.00 0.00 C ATOM 1298 CG2 VAL A 83 1.161 -10.171 -2.450 1.00 0.00 C ATOM 0 H VAL A 83 4.701 -12.001 -3.512 1.00 0.00 H new ATOM 0 HA VAL A 83 2.304 -10.849 -4.785 1.00 0.00 H new ATOM 0 HB VAL A 83 1.971 -12.126 -2.724 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.771 -11.248 -0.569 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.110 -11.742 -1.632 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.722 -10.017 -1.435 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.675 -10.412 -1.505 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.511 -9.139 -2.426 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.448 -10.293 -3.266 1.00 0.00 H new ATOM 1308 N GLN A 84 3.051 -8.462 -4.681 1.00 0.00 N ATOM 1309 CA GLN A 84 3.569 -7.112 -4.758 1.00 0.00 C ATOM 1310 C GLN A 84 2.473 -6.105 -4.468 1.00 0.00 C ATOM 1311 O GLN A 84 1.351 -6.222 -4.966 1.00 0.00 O ATOM 1312 CB GLN A 84 4.164 -6.847 -6.140 1.00 0.00 C ATOM 1313 CG GLN A 84 5.308 -7.780 -6.495 1.00 0.00 C ATOM 1314 CD GLN A 84 5.863 -7.521 -7.876 1.00 0.00 C ATOM 1315 OE1 GLN A 84 5.846 -6.390 -8.367 1.00 0.00 O ATOM 1316 NE2 GLN A 84 6.357 -8.565 -8.515 1.00 0.00 N ATOM 0 H GLN A 84 2.194 -8.619 -5.211 1.00 0.00 H new ATOM 0 HA GLN A 84 4.353 -7.004 -4.009 1.00 0.00 H new ATOM 0 HB2 GLN A 84 3.379 -6.945 -6.890 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.519 -5.817 -6.183 1.00 0.00 H new ATOM 0 HG2 GLN A 84 6.105 -7.667 -5.760 1.00 0.00 H new ATOM 0 HG3 GLN A 84 4.962 -8.812 -6.434 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.351 -9.484 -8.072 1.00 0.00 H new ATOM 0 HE22 GLN A 84 6.744 -8.453 -9.452 1.00 0.00 H new ATOM 1325 N PHE A 85 2.802 -5.108 -3.671 1.00 0.00 N ATOM 1326 CA PHE A 85 1.859 -4.060 -3.353 1.00 0.00 C ATOM 1327 C PHE A 85 2.226 -2.796 -4.104 1.00 0.00 C ATOM 1328 O PHE A 85 3.356 -2.310 -4.021 1.00 0.00 O ATOM 1329 CB PHE A 85 1.815 -3.783 -1.844 1.00 0.00 C ATOM 1330 CG PHE A 85 1.122 -4.844 -1.019 1.00 0.00 C ATOM 1331 CD1 PHE A 85 0.662 -6.021 -1.593 1.00 0.00 C ATOM 1332 CD2 PHE A 85 0.928 -4.654 0.342 1.00 0.00 C ATOM 1333 CE1 PHE A 85 0.023 -6.981 -0.829 1.00 0.00 C ATOM 1334 CE2 PHE A 85 0.291 -5.609 1.109 1.00 0.00 C ATOM 1335 CZ PHE A 85 -0.162 -6.774 0.523 1.00 0.00 C ATOM 0 H PHE A 85 3.717 -5.003 -3.232 1.00 0.00 H new ATOM 0 HA PHE A 85 0.867 -4.392 -3.659 1.00 0.00 H new ATOM 0 HB2 PHE A 85 2.837 -3.671 -1.481 1.00 0.00 H new ATOM 0 HB3 PHE A 85 1.312 -2.830 -1.679 1.00 0.00 H new ATOM 0 HD1 PHE A 85 0.805 -6.190 -2.650 1.00 0.00 H new ATOM 0 HD2 PHE A 85 1.281 -3.746 0.808 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -0.331 -7.891 -1.290 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.147 -5.445 2.167 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.660 -7.522 1.122 1.00 0.00 H new ATOM 1345 N HIS A 86 1.280 -2.286 -4.863 1.00 0.00 N ATOM 1346 CA HIS A 86 1.481 -1.051 -5.590 1.00 0.00 C ATOM 1347 C HIS A 86 0.759 0.064 -4.868 1.00 0.00 C ATOM 1348 O HIS A 86 -0.464 0.175 -4.960 1.00 0.00 O ATOM 1349 CB HIS A 86 0.948 -1.155 -7.025 1.00 0.00 C ATOM 1350 CG HIS A 86 1.672 -2.141 -7.889 1.00 0.00 C ATOM 1351 ND1 HIS A 86 2.263 -1.795 -9.082 1.00 0.00 N ATOM 1352 CD2 HIS A 86 1.877 -3.471 -7.742 1.00 0.00 C ATOM 1353 CE1 HIS A 86 2.800 -2.867 -9.632 1.00 0.00 C ATOM 1354 NE2 HIS A 86 2.580 -3.899 -8.837 1.00 0.00 N ATOM 0 H HIS A 86 0.361 -2.709 -4.993 1.00 0.00 H new ATOM 0 HA HIS A 86 2.551 -0.847 -5.640 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -0.106 -1.430 -6.988 1.00 0.00 H new ATOM 0 HB3 HIS A 86 1.005 -0.172 -7.492 1.00 0.00 H new ATOM 0 HD2 HIS A 86 1.547 -4.082 -6.914 1.00 0.00 H new ATOM 0 HE1 HIS A 86 3.330 -2.896 -10.573 1.00 0.00 H new ATOM 0 HE2 HIS A 86 2.884 -4.857 -9.010 1.00 0.00 H new ATOM 1363 N VAL A 87 1.496 0.882 -4.139 1.00 0.00 N ATOM 1364 CA VAL A 87 0.879 2.000 -3.470 1.00 0.00 C ATOM 1365 C VAL A 87 1.000 3.219 -4.349 1.00 0.00 C ATOM 1366 O VAL A 87 2.087 3.741 -4.569 1.00 0.00 O ATOM 1367 CB VAL A 87 1.501 2.278 -2.088 1.00 0.00 C ATOM 1368 CG1 VAL A 87 1.067 3.636 -1.563 1.00 0.00 C ATOM 1369 CG2 VAL A 87 1.118 1.191 -1.098 1.00 0.00 C ATOM 0 H VAL A 87 2.502 0.793 -4.000 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.169 1.755 -3.297 1.00 0.00 H new ATOM 0 HB VAL A 87 2.585 2.280 -2.203 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.519 3.810 -0.586 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.389 4.414 -2.255 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.019 3.660 -1.470 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.568 1.407 -0.129 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.033 1.158 -0.996 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.478 0.227 -1.458 1.00 0.00 H new ATOM 1379 N ILE A 88 -0.123 3.655 -4.858 1.00 0.00 N ATOM 1380 CA ILE A 88 -0.166 4.782 -5.750 1.00 0.00 C ATOM 1381 C ILE A 88 -0.681 5.991 -5.007 1.00 0.00 C ATOM 1382 O ILE A 88 -1.597 5.882 -4.195 1.00 0.00 O ATOM 1383 CB ILE A 88 -1.061 4.481 -6.967 1.00 0.00 C ATOM 1384 CG1 ILE A 88 -0.503 3.278 -7.730 1.00 0.00 C ATOM 1385 CG2 ILE A 88 -1.161 5.693 -7.879 1.00 0.00 C ATOM 1386 CD1 ILE A 88 -1.405 2.788 -8.846 1.00 0.00 C ATOM 0 H ILE A 88 -1.034 3.238 -4.665 1.00 0.00 H new ATOM 0 HA ILE A 88 0.841 4.983 -6.114 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.065 4.245 -6.615 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.467 3.544 -8.150 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.333 2.462 -7.028 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.798 5.456 -8.731 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.590 6.529 -7.327 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.167 5.964 -8.234 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.942 1.934 -9.340 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -2.368 2.489 -8.431 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.555 3.588 -9.570 1.00 0.00 H new ATOM 1398 N PHE A 89 -0.099 7.134 -5.280 1.00 0.00 N ATOM 1399 CA PHE A 89 -0.479 8.344 -4.603 1.00 0.00 C ATOM 1400 C PHE A 89 -1.380 9.162 -5.503 1.00 0.00 C ATOM 1401 O PHE A 89 -0.944 9.713 -6.514 1.00 0.00 O ATOM 1402 CB PHE A 89 0.760 9.115 -4.178 1.00 0.00 C ATOM 1403 CG PHE A 89 1.485 8.378 -3.105 1.00 0.00 C ATOM 1404 CD1 PHE A 89 0.984 8.365 -1.820 1.00 0.00 C ATOM 1405 CD2 PHE A 89 2.626 7.654 -3.387 1.00 0.00 C ATOM 1406 CE1 PHE A 89 1.613 7.653 -0.827 1.00 0.00 C ATOM 1407 CE2 PHE A 89 3.257 6.930 -2.401 1.00 0.00 C ATOM 1408 CZ PHE A 89 2.748 6.934 -1.120 1.00 0.00 C ATOM 0 H PHE A 89 0.643 7.249 -5.970 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.037 8.107 -3.697 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.417 9.262 -5.035 1.00 0.00 H new ATOM 0 HB3 PHE A 89 0.476 10.105 -3.821 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.087 8.921 -1.591 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.027 7.656 -4.390 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.218 7.658 0.178 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.146 6.362 -2.630 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.243 6.370 -0.343 1.00 0.00 H new ATOM 1418 N ASP A 90 -2.647 9.200 -5.140 1.00 0.00 N ATOM 1419 CA ASP A 90 -3.675 9.757 -6.004 1.00 0.00 C ATOM 1420 C ASP A 90 -3.758 11.265 -5.859 1.00 0.00 C ATOM 1421 O ASP A 90 -3.713 11.795 -4.746 1.00 0.00 O ATOM 1422 CB ASP A 90 -5.029 9.135 -5.670 1.00 0.00 C ATOM 1423 CG ASP A 90 -6.015 9.265 -6.809 1.00 0.00 C ATOM 1424 OD1 ASP A 90 -5.991 8.413 -7.720 1.00 0.00 O ATOM 1425 OD2 ASP A 90 -6.825 10.210 -6.802 1.00 0.00 O ATOM 0 H ASP A 90 -2.993 8.850 -4.247 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.409 9.526 -7.036 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.893 8.081 -5.428 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.438 9.615 -4.781 1.00 0.00 H new ATOM 1430 N GLU A 91 -3.860 11.956 -6.980 1.00 0.00 N ATOM 1431 CA GLU A 91 -4.019 13.397 -6.965 1.00 0.00 C ATOM 1432 C GLU A 91 -5.498 13.757 -6.948 1.00 0.00 C ATOM 1433 O GLU A 91 -6.230 13.506 -7.907 1.00 0.00 O ATOM 1434 CB GLU A 91 -3.318 14.030 -8.173 1.00 0.00 C ATOM 1435 CG GLU A 91 -3.658 13.370 -9.501 1.00 0.00 C ATOM 1436 CD GLU A 91 -3.063 14.102 -10.682 1.00 0.00 C ATOM 1437 OE1 GLU A 91 -1.882 13.854 -11.009 1.00 0.00 O ATOM 1438 OE2 GLU A 91 -3.767 14.938 -11.282 1.00 0.00 O ATOM 0 H GLU A 91 -3.835 11.542 -7.912 1.00 0.00 H new ATOM 0 HA GLU A 91 -3.554 13.793 -6.062 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -3.586 15.085 -8.224 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.240 13.982 -8.021 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -3.296 12.342 -9.495 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -4.741 13.325 -9.614 1.00 0.00 H new