USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 582 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 Set 1.1: C 15 THR OG1 : rot 76:sc= 1.19 USER MOD Set 1.2: D 17 HIS : no HE2:sc= 1.03 K(o=3.4,f=-2.5) USER MOD Set 1.3: D 21 LYS NZ :NH3+ 175:sc= 1.16 (180deg=-0.0301) USER MOD Set 2.1: A 15 THR OG1 : rot 78:sc= 1.18 USER MOD Set 2.2: B 17 HIS : no HE2:sc= 0.122 K(o=1.3,f=-4.2!) USER MOD Single : A 10 THR OG1 : rot 180:sc=0.000624 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0177) USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0081) USER MOD Single : B 11 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0522) USER MOD Single : B 12 TYR OH : rot 100:sc= 0 USER MOD Single : B 15 GLN : amide:sc= 1.5 K(o=1.5,f=-3.9!) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 ASN : amide:sc= 0.173 X(o=0.17,f=-0.0036) USER MOD Single : C 10 THR OG1 : rot 180:sc= 0 USER MOD Single : C 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 19 CYS SG : rot -150:sc= 0 USER MOD Single : D 11 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.049) USER MOD Single : D 12 TYR OH : rot 15:sc=-0.00868 USER MOD Single : D 15 GLN : amide:sc= -1.25 K(o=-1.2,f=-1.8) USER MOD Single : D 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 22 ASN : amide:sc= 1.2 K(o=1.2,f=0) USER MOD ----------------------------------------------------------------- ATOM 87 N PRO A 6 -3.384 7.170 7.041 1.00 10.00 N ATOM 88 CA PRO A 6 -4.813 7.310 6.782 1.00 10.00 C ATOM 89 C PRO A 6 -5.601 6.064 7.235 1.00 10.00 C ATOM 90 O PRO A 6 -5.030 4.973 7.302 1.00 10.00 O ATOM 91 CB PRO A 6 -4.907 7.495 5.263 1.00 10.00 C ATOM 92 CG PRO A 6 -3.757 6.631 4.751 1.00 10.00 C ATOM 93 CD PRO A 6 -2.678 6.857 5.810 1.00 10.00 C ATOM 0 HA PRO A 6 -5.246 8.143 7.335 1.00 10.00 H new ATOM 0 HB2 PRO A 6 -5.869 7.162 4.873 1.00 10.00 H new ATOM 0 HB3 PRO A 6 -4.790 8.539 4.974 1.00 10.00 H new ATOM 0 HG2 PRO A 6 -4.040 5.581 4.677 1.00 10.00 H new ATOM 0 HG3 PRO A 6 -3.425 6.942 3.760 1.00 10.00 H new ATOM 0 HD2 PRO A 6 -2.058 5.969 5.931 1.00 10.00 H new ATOM 0 HD3 PRO A 6 -2.014 7.672 5.523 1.00 10.00 H new ATOM 101 N PRO A 7 -6.924 6.191 7.468 1.00 10.00 N ATOM 102 CA PRO A 7 -7.825 5.067 7.737 1.00 10.00 C ATOM 103 C PRO A 7 -7.622 3.889 6.778 1.00 10.00 C ATOM 104 O PRO A 7 -7.678 2.732 7.187 1.00 10.00 O ATOM 105 CB PRO A 7 -9.244 5.630 7.606 1.00 10.00 C ATOM 106 CG PRO A 7 -9.062 7.095 7.980 1.00 10.00 C ATOM 107 CD PRO A 7 -7.686 7.431 7.410 1.00 10.00 C ATOM 0 HA PRO A 7 -7.627 4.661 8.729 1.00 10.00 H new ATOM 0 HB2 PRO A 7 -9.632 5.516 6.594 1.00 10.00 H new ATOM 0 HB3 PRO A 7 -9.942 5.126 8.274 1.00 10.00 H new ATOM 0 HG2 PRO A 7 -9.842 7.721 7.546 1.00 10.00 H new ATOM 0 HG3 PRO A 7 -9.098 7.243 9.059 1.00 10.00 H new ATOM 0 HD2 PRO A 7 -7.764 7.795 6.386 1.00 10.00 H new ATOM 0 HD3 PRO A 7 -7.202 8.216 7.991 1.00 10.00 H new ATOM 115 N GLY A 8 -7.353 4.199 5.503 1.00 10.00 N ATOM 116 CA GLY A 8 -6.982 3.246 4.461 1.00 10.00 C ATOM 117 C GLY A 8 -6.004 2.160 4.924 1.00 10.00 C ATOM 118 O GLY A 8 -6.153 1.005 4.538 1.00 10.00 O ATOM 0 H GLY A 8 -7.391 5.159 5.161 1.00 10.00 H new ATOM 0 HA2 GLY A 8 -7.886 2.768 4.082 1.00 10.00 H new ATOM 0 HA3 GLY A 8 -6.536 3.790 3.628 1.00 10.00 H new ATOM 122 N PHE A 9 -5.015 2.505 5.760 1.00 10.00 N ATOM 123 CA PHE A 9 -4.102 1.518 6.338 1.00 10.00 C ATOM 124 C PHE A 9 -4.847 0.505 7.224 1.00 10.00 C ATOM 125 O PHE A 9 -4.798 -0.702 6.995 1.00 10.00 O ATOM 126 CB PHE A 9 -3.005 2.244 7.122 1.00 10.00 C ATOM 127 CG PHE A 9 -2.139 1.315 7.948 1.00 10.00 C ATOM 128 CD1 PHE A 9 -1.350 0.345 7.304 1.00 10.00 C ATOM 129 CD2 PHE A 9 -2.258 1.302 9.351 1.00 10.00 C ATOM 130 CE1 PHE A 9 -0.687 -0.638 8.059 1.00 10.00 C ATOM 131 CE2 PHE A 9 -1.589 0.323 10.104 1.00 10.00 C ATOM 132 CZ PHE A 9 -0.812 -0.654 9.459 1.00 10.00 C ATOM 0 H PHE A 9 -4.829 3.465 6.050 1.00 10.00 H new ATOM 0 HA PHE A 9 -3.645 0.947 5.530 1.00 10.00 H new ATOM 0 HB2 PHE A 9 -2.373 2.793 6.424 1.00 10.00 H new ATOM 0 HB3 PHE A 9 -3.466 2.980 7.781 1.00 10.00 H new ATOM 0 HD1 PHE A 9 -1.253 0.355 6.228 1.00 10.00 H new ATOM 0 HD2 PHE A 9 -2.864 2.045 9.848 1.00 10.00 H new ATOM 0 HE1 PHE A 9 -0.081 -1.382 7.563 1.00 10.00 H new ATOM 0 HE2 PHE A 9 -1.672 0.321 11.181 1.00 10.00 H new ATOM 0 HZ PHE A 9 -0.312 -1.416 10.038 1.00 10.00 H new ATOM 142 N THR A 10 -5.562 0.994 8.239 1.00 10.00 N ATOM 143 CA THR A 10 -6.350 0.155 9.138 1.00 10.00 C ATOM 144 C THR A 10 -7.370 -0.689 8.361 1.00 10.00 C ATOM 145 O THR A 10 -7.493 -1.892 8.590 1.00 10.00 O ATOM 146 CB THR A 10 -7.030 1.045 10.188 1.00 10.00 C ATOM 147 OG1 THR A 10 -6.072 1.914 10.758 1.00 10.00 O ATOM 148 CG2 THR A 10 -7.644 0.217 11.317 1.00 10.00 C ATOM 0 H THR A 10 -5.610 1.989 8.460 1.00 10.00 H new ATOM 0 HA THR A 10 -5.690 -0.547 9.647 1.00 10.00 H new ATOM 0 HB THR A 10 -7.820 1.602 9.685 1.00 10.00 H new ATOM 0 HG1 THR A 10 -6.505 2.484 11.427 1.00 10.00 H new ATOM 0 HG21 THR A 10 -8.116 0.882 12.041 1.00 10.00 H new ATOM 0 HG22 THR A 10 -8.392 -0.461 10.906 1.00 10.00 H new ATOM 0 HG23 THR A 10 -6.863 -0.361 11.811 1.00 10.00 H new ATOM 156 N ALA A 11 -8.076 -0.064 7.413 1.00 10.00 N ATOM 157 CA ALA A 11 -9.013 -0.731 6.515 1.00 10.00 C ATOM 158 C ALA A 11 -8.335 -1.842 5.693 1.00 10.00 C ATOM 159 O ALA A 11 -8.800 -2.983 5.694 1.00 10.00 O ATOM 160 CB ALA A 11 -9.685 0.315 5.625 1.00 10.00 C ATOM 0 H ALA A 11 -8.008 0.940 7.248 1.00 10.00 H new ATOM 0 HA ALA A 11 -9.778 -1.230 7.110 1.00 10.00 H new ATOM 0 HB1 ALA A 11 -10.387 -0.177 4.951 1.00 10.00 H new ATOM 0 HB2 ALA A 11 -10.221 1.032 6.247 1.00 10.00 H new ATOM 0 HB3 ALA A 11 -8.927 0.837 5.041 1.00 10.00 H new ATOM 166 N LEU A 12 -7.207 -1.538 5.039 1.00 10.00 N ATOM 167 CA LEU A 12 -6.364 -2.532 4.378 1.00 10.00 C ATOM 168 C LEU A 12 -6.070 -3.705 5.316 1.00 10.00 C ATOM 169 O LEU A 12 -6.388 -4.842 4.985 1.00 10.00 O ATOM 170 CB LEU A 12 -5.069 -1.879 3.860 1.00 10.00 C ATOM 171 CG LEU A 12 -3.935 -2.880 3.564 1.00 10.00 C ATOM 172 CD1 LEU A 12 -4.287 -3.842 2.429 1.00 10.00 C ATOM 173 CD2 LEU A 12 -2.654 -2.134 3.198 1.00 10.00 C ATOM 0 H LEU A 12 -6.854 -0.585 4.955 1.00 10.00 H new ATOM 0 HA LEU A 12 -6.902 -2.931 3.518 1.00 10.00 H new ATOM 0 HB2 LEU A 12 -5.294 -1.322 2.951 1.00 10.00 H new ATOM 0 HB3 LEU A 12 -4.719 -1.157 4.598 1.00 10.00 H new ATOM 0 HG LEU A 12 -3.789 -3.465 4.472 1.00 10.00 H new ATOM 0 HD11 LEU A 12 -3.455 -4.526 2.260 1.00 10.00 H new ATOM 0 HD12 LEU A 12 -5.176 -4.412 2.698 1.00 10.00 H new ATOM 0 HD13 LEU A 12 -4.481 -3.275 1.518 1.00 10.00 H new ATOM 0 HD21 LEU A 12 -1.861 -2.853 2.991 1.00 10.00 H new ATOM 0 HD22 LEU A 12 -2.829 -1.522 2.313 1.00 10.00 H new ATOM 0 HD23 LEU A 12 -2.356 -1.494 4.028 1.00 10.00 H new ATOM 185 N ILE A 13 -5.465 -3.455 6.479 1.00 10.00 N ATOM 186 CA ILE A 13 -5.061 -4.535 7.379 1.00 10.00 C ATOM 187 C ILE A 13 -6.263 -5.338 7.907 1.00 10.00 C ATOM 188 O ILE A 13 -6.191 -6.560 8.016 1.00 10.00 O ATOM 189 CB ILE A 13 -4.157 -4.001 8.501 1.00 10.00 C ATOM 190 CG1 ILE A 13 -2.867 -3.338 7.977 1.00 10.00 C ATOM 191 CG2 ILE A 13 -3.793 -5.132 9.467 1.00 10.00 C ATOM 192 CD1 ILE A 13 -1.914 -4.270 7.218 1.00 10.00 C ATOM 0 H ILE A 13 -5.245 -2.518 6.818 1.00 10.00 H new ATOM 0 HA ILE A 13 -4.470 -5.246 6.802 1.00 10.00 H new ATOM 0 HB ILE A 13 -4.728 -3.230 9.017 1.00 10.00 H new ATOM 0 HG12 ILE A 13 -3.143 -2.513 7.320 1.00 10.00 H new ATOM 0 HG13 ILE A 13 -2.331 -2.906 8.822 1.00 10.00 H new ATOM 0 HG21 ILE A 13 -3.152 -4.743 10.258 1.00 10.00 H new ATOM 0 HG22 ILE A 13 -4.702 -5.543 9.906 1.00 10.00 H new ATOM 0 HG23 ILE A 13 -3.265 -5.917 8.926 1.00 10.00 H new ATOM 0 HD11 ILE A 13 -1.039 -3.708 6.892 1.00 10.00 H new ATOM 0 HD12 ILE A 13 -1.600 -5.082 7.874 1.00 10.00 H new ATOM 0 HD13 ILE A 13 -2.425 -4.683 6.348 1.00 10.00 H new ATOM 204 N LYS A 14 -7.394 -4.687 8.198 1.00 10.00 N ATOM 205 CA LYS A 14 -8.648 -5.391 8.475 1.00 10.00 C ATOM 206 C LYS A 14 -9.033 -6.323 7.314 1.00 10.00 C ATOM 207 O LYS A 14 -9.314 -7.506 7.515 1.00 10.00 O ATOM 208 CB LYS A 14 -9.742 -4.362 8.789 1.00 10.00 C ATOM 209 CG LYS A 14 -11.057 -5.040 9.195 1.00 10.00 C ATOM 210 CD LYS A 14 -12.080 -4.029 9.733 1.00 10.00 C ATOM 211 CE LYS A 14 -12.508 -3.017 8.664 1.00 10.00 C ATOM 212 NZ LYS A 14 -13.590 -2.150 9.161 1.00 10.00 N ATOM 0 H LYS A 14 -7.465 -3.671 8.248 1.00 10.00 H new ATOM 0 HA LYS A 14 -8.522 -6.034 9.346 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -9.406 -3.707 9.593 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -9.911 -3.732 7.915 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -11.478 -5.560 8.334 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -10.857 -5.794 9.956 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -12.958 -4.562 10.099 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -11.652 -3.498 10.583 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -11.653 -2.407 8.373 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -12.842 -3.545 7.771 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -13.862 -1.474 8.419 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -14.413 -2.733 9.416 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -13.261 -1.630 9.999 1.00 10.00 H new ATOM 226 N THR A 15 -9.014 -5.803 6.084 1.00 10.00 N ATOM 227 CA THR A 15 -9.317 -6.587 4.885 1.00 10.00 C ATOM 228 C THR A 15 -8.305 -7.727 4.672 1.00 10.00 C ATOM 229 O THR A 15 -8.678 -8.819 4.256 1.00 10.00 O ATOM 230 CB THR A 15 -9.416 -5.682 3.646 1.00 10.00 C ATOM 231 OG1 THR A 15 -10.209 -4.546 3.914 1.00 10.00 O ATOM 232 CG2 THR A 15 -10.124 -6.400 2.499 1.00 10.00 C ATOM 0 H THR A 15 -8.788 -4.827 5.892 1.00 10.00 H new ATOM 0 HA THR A 15 -10.290 -7.053 5.038 1.00 10.00 H new ATOM 0 HB THR A 15 -8.393 -5.412 3.385 1.00 10.00 H new ATOM 0 HG1 THR A 15 -9.687 -3.897 4.431 1.00 10.00 H new ATOM 0 HG21 THR A 15 -10.181 -5.738 1.635 1.00 10.00 H new ATOM 0 HG22 THR A 15 -9.566 -7.298 2.232 1.00 10.00 H new ATOM 0 HG23 THR A 15 -11.131 -6.678 2.810 1.00 10.00 H new ATOM 240 N LEU A 16 -7.024 -7.495 4.980 1.00 10.00 N ATOM 241 CA LEU A 16 -5.972 -8.510 4.973 1.00 10.00 C ATOM 242 C LEU A 16 -6.315 -9.630 5.959 1.00 10.00 C ATOM 243 O LEU A 16 -6.417 -10.790 5.566 1.00 10.00 O ATOM 244 CB LEU A 16 -4.616 -7.850 5.286 1.00 10.00 C ATOM 245 CG LEU A 16 -3.388 -8.718 4.953 1.00 10.00 C ATOM 246 CD1 LEU A 16 -2.157 -7.807 4.841 1.00 10.00 C ATOM 247 CD2 LEU A 16 -3.097 -9.781 6.022 1.00 10.00 C ATOM 0 H LEU A 16 -6.685 -6.571 5.248 1.00 10.00 H new ATOM 0 HA LEU A 16 -5.899 -8.964 3.985 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -4.545 -6.915 4.730 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -4.587 -7.594 6.345 1.00 10.00 H new ATOM 0 HG LEU A 16 -3.604 -9.235 4.018 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -1.279 -8.409 4.605 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -2.317 -7.074 4.050 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -1.999 -7.291 5.788 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -2.221 -10.360 5.730 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -2.908 -9.293 6.978 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -3.956 -10.446 6.117 1.00 10.00 H new ATOM 259 N ARG A 17 -6.526 -9.282 7.231 1.00 10.00 N ATOM 260 CA ARG A 17 -6.947 -10.233 8.256 1.00 10.00 C ATOM 261 C ARG A 17 -8.175 -11.037 7.808 1.00 10.00 C ATOM 262 O ARG A 17 -8.178 -12.260 7.910 1.00 10.00 O ATOM 263 CB ARG A 17 -7.200 -9.499 9.578 1.00 10.00 C ATOM 264 CG ARG A 17 -5.874 -9.098 10.237 1.00 10.00 C ATOM 265 CD ARG A 17 -6.130 -8.245 11.482 1.00 10.00 C ATOM 266 NE ARG A 17 -6.594 -6.901 11.106 1.00 10.00 N ATOM 267 CZ ARG A 17 -6.938 -5.932 11.960 1.00 10.00 C ATOM 268 NH1 ARG A 17 -6.978 -6.163 13.269 1.00 10.00 N ATOM 269 NH2 ARG A 17 -7.240 -4.720 11.504 1.00 10.00 N ATOM 0 H ARG A 17 -6.409 -8.330 7.577 1.00 10.00 H new ATOM 0 HA ARG A 17 -6.143 -10.953 8.412 1.00 10.00 H new ATOM 0 HB2 ARG A 17 -7.805 -8.611 9.397 1.00 10.00 H new ATOM 0 HB3 ARG A 17 -7.768 -10.139 10.253 1.00 10.00 H new ATOM 0 HG2 ARG A 17 -5.312 -9.991 10.510 1.00 10.00 H new ATOM 0 HG3 ARG A 17 -5.262 -8.541 9.527 1.00 10.00 H new ATOM 0 HD2 ARG A 17 -6.875 -8.729 12.113 1.00 10.00 H new ATOM 0 HD3 ARG A 17 -5.216 -8.168 12.070 1.00 10.00 H new ATOM 0 HE ARG A 17 -6.659 -6.691 10.110 1.00 10.00 H new ATOM 0 HH11 ARG A 17 -6.745 -7.088 13.631 1.00 10.00 H new ATOM 0 HH12 ARG A 17 -7.242 -5.416 13.911 1.00 10.00 H new ATOM 0 HH21 ARG A 17 -7.209 -4.530 10.502 1.00 10.00 H new ATOM 0 HH22 ARG A 17 -7.503 -3.981 12.156 1.00 10.00 H new ATOM 283 N LYS A 18 -9.197 -10.365 7.264 1.00 10.00 N ATOM 284 CA LYS A 18 -10.359 -11.038 6.691 1.00 10.00 C ATOM 285 C LYS A 18 -9.969 -12.022 5.571 1.00 10.00 C ATOM 286 O LYS A 18 -10.274 -13.206 5.669 1.00 10.00 O ATOM 287 CB LYS A 18 -11.379 -9.989 6.227 1.00 10.00 C ATOM 288 CG LYS A 18 -12.672 -10.601 5.669 1.00 10.00 C ATOM 289 CD LYS A 18 -13.391 -11.479 6.703 1.00 10.00 C ATOM 290 CE LYS A 18 -14.822 -11.805 6.260 1.00 10.00 C ATOM 291 NZ LYS A 18 -14.840 -12.609 5.027 1.00 10.00 N ATOM 0 H LYS A 18 -9.238 -9.347 7.211 1.00 10.00 H new ATOM 0 HA LYS A 18 -10.825 -11.651 7.462 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -11.626 -9.338 7.065 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -10.922 -9.363 5.461 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -13.340 -9.803 5.346 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -12.439 -11.198 4.787 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -12.833 -12.404 6.848 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -13.414 -10.967 7.665 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -15.335 -12.346 7.055 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -15.373 -10.879 6.098 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -15.822 -12.853 4.786 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -14.418 -12.062 4.250 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -14.293 -13.481 5.173 1.00 10.00 H new ATOM 305 N CYS A 19 -9.268 -11.554 4.530 1.00 10.00 N ATOM 306 CA CYS A 19 -8.764 -12.379 3.425 1.00 10.00 C ATOM 307 C CYS A 19 -7.993 -13.621 3.912 1.00 10.00 C ATOM 308 O CYS A 19 -8.168 -14.718 3.391 1.00 10.00 O ATOM 309 CB CYS A 19 -7.894 -11.517 2.498 1.00 10.00 C ATOM 310 SG CYS A 19 -7.043 -12.421 1.178 1.00 10.00 S ATOM 0 H CYS A 19 -9.030 -10.567 4.431 1.00 10.00 H new ATOM 0 HA CYS A 19 -9.624 -12.756 2.872 1.00 10.00 H new ATOM 0 HB2 CYS A 19 -8.523 -10.751 2.045 1.00 10.00 H new ATOM 0 HB3 CYS A 19 -7.148 -11.001 3.102 1.00 10.00 H new ATOM 0 HG CYS A 19 -6.344 -11.590 0.463 1.00 10.00 H new ATOM 315 N LYS A 20 -7.136 -13.446 4.923 1.00 10.00 N ATOM 316 CA LYS A 20 -6.359 -14.523 5.543 1.00 10.00 C ATOM 317 C LYS A 20 -7.131 -15.252 6.664 1.00 10.00 C ATOM 318 O LYS A 20 -6.548 -16.078 7.364 1.00 10.00 O ATOM 319 CB LYS A 20 -5.028 -13.940 6.062 1.00 10.00 C ATOM 320 CG LYS A 20 -3.938 -13.826 4.985 1.00 10.00 C ATOM 321 CD LYS A 20 -4.349 -12.960 3.787 1.00 10.00 C ATOM 322 CE LYS A 20 -3.161 -12.666 2.864 1.00 10.00 C ATOM 323 NZ LYS A 20 -2.629 -13.899 2.256 1.00 10.00 N ATOM 0 H LYS A 20 -6.960 -12.533 5.341 1.00 10.00 H new ATOM 0 HA LYS A 20 -6.161 -15.282 4.786 1.00 10.00 H new ATOM 0 HB2 LYS A 20 -5.215 -12.952 6.483 1.00 10.00 H new ATOM 0 HB3 LYS A 20 -4.659 -14.567 6.874 1.00 10.00 H new ATOM 0 HG2 LYS A 20 -3.037 -13.407 5.434 1.00 10.00 H new ATOM 0 HG3 LYS A 20 -3.683 -14.825 4.631 1.00 10.00 H new ATOM 0 HD2 LYS A 20 -5.131 -13.468 3.223 1.00 10.00 H new ATOM 0 HD3 LYS A 20 -4.772 -12.022 4.145 1.00 10.00 H new ATOM 0 HE2 LYS A 20 -3.471 -11.977 2.079 1.00 10.00 H new ATOM 0 HE3 LYS A 20 -2.373 -12.170 3.431 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 -1.848 -13.660 1.612 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 -2.279 -14.532 3.004 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 -3.384 -14.377 1.723 1.00 10.00 H new ATOM 337 N ILE A 21 -8.427 -14.966 6.853 1.00 10.00 N ATOM 338 CA ILE A 21 -9.283 -15.463 7.935 1.00 10.00 C ATOM 339 C ILE A 21 -8.868 -14.907 9.309 1.00 10.00 C ATOM 340 O ILE A 21 -9.668 -14.265 9.987 1.00 10.00 O ATOM 341 CB ILE A 21 -9.406 -17.002 7.921 1.00 10.00 C ATOM 342 CG1 ILE A 21 -9.703 -17.575 6.521 1.00 10.00 C ATOM 343 CG2 ILE A 21 -10.476 -17.458 8.925 1.00 10.00 C ATOM 344 CD1 ILE A 21 -10.948 -16.990 5.844 1.00 10.00 C ATOM 0 H ILE A 21 -8.932 -14.347 6.219 1.00 10.00 H new ATOM 0 HA ILE A 21 -10.285 -15.079 7.746 1.00 10.00 H new ATOM 0 HB ILE A 21 -8.434 -17.396 8.216 1.00 10.00 H new ATOM 0 HG12 ILE A 21 -8.840 -17.398 5.880 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -9.823 -18.655 6.603 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -10.553 -18.545 8.906 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -10.197 -17.132 9.927 1.00 10.00 H new ATOM 0 HG23 ILE A 21 -11.438 -17.021 8.655 1.00 10.00 H new ATOM 0 HD11 ILE A 21 -11.080 -17.450 4.865 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -11.825 -17.190 6.460 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -10.826 -15.913 5.725 1.00 10.00 H new ATOM 356 N ILE A 22 -7.625 -15.164 9.726 1.00 10.00 N ATOM 357 CA ILE A 22 -7.024 -14.607 10.937 1.00 10.00 C ATOM 358 C ILE A 22 -6.333 -13.263 10.654 1.00 10.00 C ATOM 359 O ILE A 22 -5.666 -13.159 9.600 1.00 10.00 O ATOM 360 CB ILE A 22 -6.073 -15.632 11.589 1.00 10.00 C ATOM 361 CG1 ILE A 22 -4.901 -16.038 10.674 1.00 10.00 C ATOM 362 CG2 ILE A 22 -6.880 -16.864 12.029 1.00 10.00 C ATOM 363 CD1 ILE A 22 -3.903 -16.971 11.367 1.00 10.00 C ATOM 364 OXT ILE A 22 -6.472 -12.360 11.508 1.00 10.00 O ATOM 0 H ILE A 22 -6.994 -15.782 9.216 1.00 10.00 H new ATOM 0 HA ILE A 22 -7.819 -14.399 11.653 1.00 10.00 H new ATOM 0 HB ILE A 22 -5.619 -15.155 12.458 1.00 10.00 H new ATOM 0 HG12 ILE A 22 -5.294 -16.530 9.784 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -4.380 -15.141 10.338 1.00 10.00 H new ATOM 0 HG21 ILE A 22 -6.212 -17.591 12.490 1.00 10.00 H new ATOM 0 HG22 ILE A 22 -7.641 -16.562 12.749 1.00 10.00 H new ATOM 0 HG23 ILE A 22 -7.361 -17.313 11.160 1.00 10.00 H new ATOM 0 HD11 ILE A 22 -3.100 -17.223 10.675 1.00 10.00 H new ATOM 0 HD12 ILE A 22 -3.485 -16.472 12.241 1.00 10.00 H new ATOM 0 HD13 ILE A 22 -4.413 -17.882 11.679 1.00 10.00 H new ATOM 465 N ILE B 7 1.676 9.436 -4.603 1.00 10.00 N ATOM 466 CA ILE B 7 0.891 8.751 -5.628 1.00 10.00 C ATOM 467 C ILE B 7 1.249 7.263 -5.755 1.00 10.00 C ATOM 468 O ILE B 7 0.363 6.425 -5.896 1.00 10.00 O ATOM 469 CB ILE B 7 0.944 9.488 -6.981 1.00 10.00 C ATOM 470 CG1 ILE B 7 2.277 9.388 -7.748 1.00 10.00 C ATOM 471 CG2 ILE B 7 0.482 10.945 -6.837 1.00 10.00 C ATOM 472 CD1 ILE B 7 3.494 10.004 -7.053 1.00 10.00 C ATOM 0 HA ILE B 7 -0.146 8.780 -5.294 1.00 10.00 H new ATOM 0 HB ILE B 7 0.239 8.947 -7.612 1.00 10.00 H new ATOM 0 HG12 ILE B 7 2.486 8.336 -7.940 1.00 10.00 H new ATOM 0 HG13 ILE B 7 2.153 9.870 -8.718 1.00 10.00 H new ATOM 0 HG21 ILE B 7 0.530 11.440 -7.807 1.00 10.00 H new ATOM 0 HG22 ILE B 7 -0.544 10.967 -6.469 1.00 10.00 H new ATOM 0 HG23 ILE B 7 1.131 11.465 -6.132 1.00 10.00 H new ATOM 0 HD11 ILE B 7 4.375 9.876 -7.682 1.00 10.00 H new ATOM 0 HD12 ILE B 7 3.318 11.067 -6.886 1.00 10.00 H new ATOM 0 HD13 ILE B 7 3.656 9.508 -6.096 1.00 10.00 H new ATOM 484 N GLU B 8 2.538 6.922 -5.665 1.00 10.00 N ATOM 485 CA GLU B 8 3.022 5.550 -5.767 1.00 10.00 C ATOM 486 C GLU B 8 2.513 4.708 -4.584 1.00 10.00 C ATOM 487 O GLU B 8 1.882 3.667 -4.763 1.00 10.00 O ATOM 488 CB GLU B 8 4.559 5.590 -5.838 1.00 10.00 C ATOM 489 CG GLU B 8 5.158 4.264 -6.332 1.00 10.00 C ATOM 490 CD GLU B 8 4.936 4.059 -7.828 1.00 10.00 C ATOM 491 OE1 GLU B 8 5.654 4.735 -8.598 1.00 10.00 O ATOM 492 OE2 GLU B 8 4.052 3.246 -8.170 1.00 10.00 O ATOM 0 H GLU B 8 3.282 7.604 -5.517 1.00 10.00 H new ATOM 0 HA GLU B 8 2.640 5.073 -6.669 1.00 10.00 H new ATOM 0 HB2 GLU B 8 4.868 6.396 -6.504 1.00 10.00 H new ATOM 0 HB3 GLU B 8 4.960 5.821 -4.851 1.00 10.00 H new ATOM 0 HG2 GLU B 8 6.227 4.247 -6.118 1.00 10.00 H new ATOM 0 HG3 GLU B 8 4.710 3.436 -5.782 1.00 10.00 H new ATOM 499 N ALA B 9 2.769 5.189 -3.365 1.00 10.00 N ATOM 500 CA ALA B 9 2.340 4.546 -2.130 1.00 10.00 C ATOM 501 C ALA B 9 0.811 4.420 -2.052 1.00 10.00 C ATOM 502 O ALA B 9 0.287 3.361 -1.715 1.00 10.00 O ATOM 503 CB ALA B 9 2.910 5.329 -0.946 1.00 10.00 C ATOM 0 H ALA B 9 3.290 6.052 -3.211 1.00 10.00 H new ATOM 0 HA ALA B 9 2.724 3.526 -2.103 1.00 10.00 H new ATOM 0 HB1 ALA B 9 2.597 4.859 -0.014 1.00 10.00 H new ATOM 0 HB2 ALA B 9 3.999 5.333 -1.002 1.00 10.00 H new ATOM 0 HB3 ALA B 9 2.542 6.354 -0.977 1.00 10.00 H new ATOM 509 N ARG B 10 0.092 5.493 -2.394 1.00 10.00 N ATOM 510 CA ARG B 10 -1.365 5.520 -2.467 1.00 10.00 C ATOM 511 C ARG B 10 -1.901 4.522 -3.506 1.00 10.00 C ATOM 512 O ARG B 10 -2.804 3.747 -3.201 1.00 10.00 O ATOM 513 CB ARG B 10 -1.833 6.956 -2.741 1.00 10.00 C ATOM 514 CG ARG B 10 -3.362 7.073 -2.698 1.00 10.00 C ATOM 515 CD ARG B 10 -3.813 8.530 -2.875 1.00 10.00 C ATOM 516 NE ARG B 10 -3.453 9.378 -1.723 1.00 10.00 N ATOM 517 CZ ARG B 10 -4.108 9.434 -0.558 1.00 10.00 C ATOM 518 NH1 ARG B 10 -5.112 8.599 -0.300 1.00 10.00 N ATOM 519 NH2 ARG B 10 -3.769 10.336 0.360 1.00 10.00 N ATOM 0 H ARG B 10 0.521 6.387 -2.633 1.00 10.00 H new ATOM 0 HA ARG B 10 -1.776 5.201 -1.509 1.00 10.00 H new ATOM 0 HB2 ARG B 10 -1.396 7.628 -2.003 1.00 10.00 H new ATOM 0 HB3 ARG B 10 -1.471 7.277 -3.718 1.00 10.00 H new ATOM 0 HG2 ARG B 10 -3.799 6.456 -3.484 1.00 10.00 H new ATOM 0 HG3 ARG B 10 -3.732 6.688 -1.748 1.00 10.00 H new ATOM 0 HD2 ARG B 10 -3.361 8.939 -3.778 1.00 10.00 H new ATOM 0 HD3 ARG B 10 -4.893 8.557 -3.018 1.00 10.00 H new ATOM 0 HE ARG B 10 -2.632 9.975 -1.824 1.00 10.00 H new ATOM 0 HH11 ARG B 10 -5.390 7.906 -0.995 1.00 10.00 H new ATOM 0 HH12 ARG B 10 -5.603 8.652 0.592 1.00 10.00 H new ATOM 0 HH21 ARG B 10 -3.007 10.989 0.177 1.00 10.00 H new ATOM 0 HH22 ARG B 10 -4.271 10.375 1.247 1.00 10.00 H new ATOM 533 N LYS B 11 -1.346 4.514 -4.723 1.00 10.00 N ATOM 534 CA LYS B 11 -1.704 3.539 -5.752 1.00 10.00 C ATOM 535 C LYS B 11 -1.481 2.101 -5.263 1.00 10.00 C ATOM 536 O LYS B 11 -2.373 1.262 -5.375 1.00 10.00 O ATOM 537 CB LYS B 11 -0.918 3.836 -7.037 1.00 10.00 C ATOM 538 CG LYS B 11 -1.319 2.901 -8.185 1.00 10.00 C ATOM 539 CD LYS B 11 -0.546 3.290 -9.452 1.00 10.00 C ATOM 540 CE LYS B 11 -0.860 2.345 -10.618 1.00 10.00 C ATOM 541 NZ LYS B 11 -2.269 2.444 -11.037 1.00 10.00 N ATOM 0 H LYS B 11 -0.637 5.184 -5.020 1.00 10.00 H new ATOM 0 HA LYS B 11 -2.768 3.629 -5.971 1.00 10.00 H new ATOM 0 HB2 LYS B 11 -1.089 4.870 -7.335 1.00 10.00 H new ATOM 0 HB3 LYS B 11 0.149 3.733 -6.841 1.00 10.00 H new ATOM 0 HG2 LYS B 11 -1.104 1.866 -7.918 1.00 10.00 H new ATOM 0 HG3 LYS B 11 -2.392 2.968 -8.365 1.00 10.00 H new ATOM 0 HD2 LYS B 11 -0.799 4.312 -9.733 1.00 10.00 H new ATOM 0 HD3 LYS B 11 0.524 3.271 -9.246 1.00 10.00 H new ATOM 0 HE2 LYS B 11 -0.212 2.581 -11.462 1.00 10.00 H new ATOM 0 HE3 LYS B 11 -0.639 1.319 -10.324 1.00 10.00 H new ATOM 0 HZ1 LYS B 11 -2.411 1.895 -11.909 1.00 10.00 H new ATOM 0 HZ2 LYS B 11 -2.882 2.066 -10.286 1.00 10.00 H new ATOM 0 HZ3 LYS B 11 -2.510 3.440 -11.212 1.00 10.00 H new ATOM 555 N TYR B 12 -0.303 1.813 -4.700 1.00 10.00 N ATOM 556 CA TYR B 12 -0.005 0.511 -4.111 1.00 10.00 C ATOM 557 C TYR B 12 -1.016 0.126 -3.016 1.00 10.00 C ATOM 558 O TYR B 12 -1.616 -0.946 -3.074 1.00 10.00 O ATOM 559 CB TYR B 12 1.437 0.507 -3.592 1.00 10.00 C ATOM 560 CG TYR B 12 1.821 -0.786 -2.904 1.00 10.00 C ATOM 561 CD1 TYR B 12 2.201 -1.907 -3.666 1.00 10.00 C ATOM 562 CD2 TYR B 12 1.660 -0.909 -1.513 1.00 10.00 C ATOM 563 CE1 TYR B 12 2.443 -3.139 -3.032 1.00 10.00 C ATOM 564 CE2 TYR B 12 1.877 -2.146 -0.885 1.00 10.00 C ATOM 565 CZ TYR B 12 2.277 -3.257 -1.643 1.00 10.00 C ATOM 566 OH TYR B 12 2.503 -4.450 -1.031 1.00 10.00 O ATOM 0 H TYR B 12 0.468 2.478 -4.642 1.00 10.00 H new ATOM 0 HA TYR B 12 -0.101 -0.252 -4.883 1.00 10.00 H new ATOM 0 HB2 TYR B 12 2.117 0.683 -4.426 1.00 10.00 H new ATOM 0 HB3 TYR B 12 1.567 1.334 -2.895 1.00 10.00 H new ATOM 0 HD1 TYR B 12 2.307 -1.821 -4.737 1.00 10.00 H new ATOM 0 HD2 TYR B 12 1.369 -0.050 -0.926 1.00 10.00 H new ATOM 0 HE1 TYR B 12 2.756 -3.994 -3.613 1.00 10.00 H new ATOM 0 HE2 TYR B 12 1.736 -2.242 0.181 1.00 10.00 H new ATOM 0 HH TYR B 12 3.392 -4.443 -0.619 1.00 10.00 H new ATOM 576 N LEU B 13 -1.218 1.005 -2.027 1.00 10.00 N ATOM 577 CA LEU B 13 -2.221 0.855 -0.970 1.00 10.00 C ATOM 578 C LEU B 13 -3.598 0.512 -1.555 1.00 10.00 C ATOM 579 O LEU B 13 -4.181 -0.517 -1.216 1.00 10.00 O ATOM 580 CB LEU B 13 -2.250 2.146 -0.131 1.00 10.00 C ATOM 581 CG LEU B 13 -3.408 2.254 0.876 1.00 10.00 C ATOM 582 CD1 LEU B 13 -3.411 1.094 1.873 1.00 10.00 C ATOM 583 CD2 LEU B 13 -3.293 3.578 1.639 1.00 10.00 C ATOM 0 H LEU B 13 -0.673 1.863 -1.939 1.00 10.00 H new ATOM 0 HA LEU B 13 -1.952 0.021 -0.321 1.00 10.00 H new ATOM 0 HB2 LEU B 13 -1.309 2.226 0.413 1.00 10.00 H new ATOM 0 HB3 LEU B 13 -2.300 2.998 -0.809 1.00 10.00 H new ATOM 0 HG LEU B 13 -4.342 2.214 0.316 1.00 10.00 H new ATOM 0 HD11 LEU B 13 -4.245 1.211 2.565 1.00 10.00 H new ATOM 0 HD12 LEU B 13 -3.515 0.152 1.335 1.00 10.00 H new ATOM 0 HD13 LEU B 13 -2.475 1.091 2.431 1.00 10.00 H new ATOM 0 HD21 LEU B 13 -4.112 3.658 2.354 1.00 10.00 H new ATOM 0 HD22 LEU B 13 -2.342 3.610 2.171 1.00 10.00 H new ATOM 0 HD23 LEU B 13 -3.343 4.409 0.935 1.00 10.00 H new ATOM 595 N GLU B 14 -4.104 1.360 -2.453 1.00 10.00 N ATOM 596 CA GLU B 14 -5.359 1.162 -3.168 1.00 10.00 C ATOM 597 C GLU B 14 -5.425 -0.225 -3.829 1.00 10.00 C ATOM 598 O GLU B 14 -6.342 -1.000 -3.561 1.00 10.00 O ATOM 599 CB GLU B 14 -5.508 2.305 -4.185 1.00 10.00 C ATOM 600 CG GLU B 14 -6.803 2.211 -5.004 1.00 10.00 C ATOM 601 CD GLU B 14 -6.910 3.356 -6.008 1.00 10.00 C ATOM 602 OE1 GLU B 14 -7.413 4.423 -5.597 1.00 10.00 O ATOM 603 OE2 GLU B 14 -6.484 3.144 -7.165 1.00 10.00 O ATOM 0 H GLU B 14 -3.634 2.229 -2.708 1.00 10.00 H new ATOM 0 HA GLU B 14 -6.196 1.188 -2.470 1.00 10.00 H new ATOM 0 HB2 GLU B 14 -5.486 3.259 -3.658 1.00 10.00 H new ATOM 0 HB3 GLU B 14 -4.654 2.295 -4.862 1.00 10.00 H new ATOM 0 HG2 GLU B 14 -6.833 1.258 -5.532 1.00 10.00 H new ATOM 0 HG3 GLU B 14 -7.662 2.231 -4.333 1.00 10.00 H new ATOM 610 N GLN B 15 -4.446 -0.541 -4.684 1.00 10.00 N ATOM 611 CA GLN B 15 -4.391 -1.802 -5.412 1.00 10.00 C ATOM 612 C GLN B 15 -4.387 -3.017 -4.472 1.00 10.00 C ATOM 613 O GLN B 15 -5.152 -3.964 -4.667 1.00 10.00 O ATOM 614 CB GLN B 15 -3.180 -1.799 -6.355 1.00 10.00 C ATOM 615 CG GLN B 15 -3.051 -3.098 -7.167 1.00 10.00 C ATOM 616 CD GLN B 15 -4.292 -3.420 -7.995 1.00 10.00 C ATOM 617 OE1 GLN B 15 -4.430 -2.978 -9.129 1.00 10.00 O ATOM 618 NE2 GLN B 15 -5.229 -4.180 -7.445 1.00 10.00 N ATOM 0 H GLN B 15 -3.664 0.082 -4.888 1.00 10.00 H new ATOM 0 HA GLN B 15 -5.298 -1.894 -6.010 1.00 10.00 H new ATOM 0 HB2 GLN B 15 -3.261 -0.955 -7.040 1.00 10.00 H new ATOM 0 HB3 GLN B 15 -2.272 -1.650 -5.771 1.00 10.00 H new ATOM 0 HG2 GLN B 15 -2.190 -3.019 -7.831 1.00 10.00 H new ATOM 0 HG3 GLN B 15 -2.853 -3.926 -6.486 1.00 10.00 H new ATOM 0 HE21 GLN B 15 -5.102 -4.542 -6.500 1.00 10.00 H new ATOM 0 HE22 GLN B 15 -6.077 -4.403 -7.967 1.00 10.00 H new ATOM 627 N LEU B 16 -3.523 -3.003 -3.456 1.00 10.00 N ATOM 628 CA LEU B 16 -3.454 -4.067 -2.463 1.00 10.00 C ATOM 629 C LEU B 16 -4.795 -4.206 -1.722 1.00 10.00 C ATOM 630 O LEU B 16 -5.369 -5.292 -1.655 1.00 10.00 O ATOM 631 CB LEU B 16 -2.280 -3.779 -1.516 1.00 10.00 C ATOM 632 CG LEU B 16 -2.044 -4.882 -0.473 1.00 10.00 C ATOM 633 CD1 LEU B 16 -1.610 -6.207 -1.111 1.00 10.00 C ATOM 634 CD2 LEU B 16 -0.959 -4.424 0.506 1.00 10.00 C ATOM 0 H LEU B 16 -2.852 -2.251 -3.301 1.00 10.00 H new ATOM 0 HA LEU B 16 -3.275 -5.027 -2.947 1.00 10.00 H new ATOM 0 HB2 LEU B 16 -1.373 -3.648 -2.106 1.00 10.00 H new ATOM 0 HB3 LEU B 16 -2.463 -2.836 -1.000 1.00 10.00 H new ATOM 0 HG LEU B 16 -2.989 -5.055 0.041 1.00 10.00 H new ATOM 0 HD11 LEU B 16 -1.456 -6.953 -0.331 1.00 10.00 H new ATOM 0 HD12 LEU B 16 -2.385 -6.552 -1.796 1.00 10.00 H new ATOM 0 HD13 LEU B 16 -0.680 -6.059 -1.660 1.00 10.00 H new ATOM 0 HD21 LEU B 16 -0.787 -5.203 1.249 1.00 10.00 H new ATOM 0 HD22 LEU B 16 -0.035 -4.232 -0.039 1.00 10.00 H new ATOM 0 HD23 LEU B 16 -1.282 -3.511 1.006 1.00 10.00 H new ATOM 646 N HIS B 17 -5.322 -3.098 -1.196 1.00 10.00 N ATOM 647 CA HIS B 17 -6.587 -3.086 -0.472 1.00 10.00 C ATOM 648 C HIS B 17 -7.749 -3.619 -1.321 1.00 10.00 C ATOM 649 O HIS B 17 -8.528 -4.437 -0.830 1.00 10.00 O ATOM 650 CB HIS B 17 -6.860 -1.677 0.067 1.00 10.00 C ATOM 651 CG HIS B 17 -8.010 -1.595 1.041 1.00 10.00 C ATOM 652 ND1 HIS B 17 -9.040 -2.501 1.183 1.00 10.00 N ATOM 653 CD2 HIS B 17 -8.237 -0.572 1.925 1.00 10.00 C ATOM 654 CE1 HIS B 17 -9.874 -2.023 2.122 1.00 10.00 C ATOM 655 NE2 HIS B 17 -9.427 -0.852 2.602 1.00 10.00 N ATOM 0 H HIS B 17 -4.878 -2.182 -1.263 1.00 10.00 H new ATOM 0 HA HIS B 17 -6.505 -3.769 0.374 1.00 10.00 H new ATOM 0 HB2 HIS B 17 -5.959 -1.307 0.556 1.00 10.00 H new ATOM 0 HB3 HIS B 17 -7.063 -1.013 -0.773 1.00 10.00 H new ATOM 0 HD1 HIS B 17 -9.149 -3.375 0.669 1.00 10.00 H new ATOM 0 HD2 HIS B 17 -7.609 0.294 2.072 1.00 10.00 H new ATOM 0 HE1 HIS B 17 -10.780 -2.514 2.446 1.00 10.00 H new ATOM 663 N ARG B 18 -7.895 -3.171 -2.574 1.00 10.00 N ATOM 664 CA ARG B 18 -8.964 -3.669 -3.441 1.00 10.00 C ATOM 665 C ARG B 18 -8.743 -5.131 -3.856 1.00 10.00 C ATOM 666 O ARG B 18 -9.698 -5.903 -3.896 1.00 10.00 O ATOM 667 CB ARG B 18 -9.235 -2.720 -4.616 1.00 10.00 C ATOM 668 CG ARG B 18 -8.177 -2.778 -5.721 1.00 10.00 C ATOM 669 CD ARG B 18 -8.381 -1.613 -6.693 1.00 10.00 C ATOM 670 NE ARG B 18 -7.310 -1.580 -7.700 1.00 10.00 N ATOM 671 CZ ARG B 18 -6.874 -0.487 -8.336 1.00 10.00 C ATOM 672 NH1 ARG B 18 -7.494 0.679 -8.190 1.00 10.00 N ATOM 673 NH2 ARG B 18 -5.802 -0.564 -9.119 1.00 10.00 N ATOM 0 H ARG B 18 -7.291 -2.471 -3.005 1.00 10.00 H new ATOM 0 HA ARG B 18 -9.884 -3.678 -2.856 1.00 10.00 H new ATOM 0 HB2 ARG B 18 -10.208 -2.959 -5.046 1.00 10.00 H new ATOM 0 HB3 ARG B 18 -9.296 -1.699 -4.239 1.00 10.00 H new ATOM 0 HG2 ARG B 18 -7.179 -2.730 -5.285 1.00 10.00 H new ATOM 0 HG3 ARG B 18 -8.246 -3.726 -6.255 1.00 10.00 H new ATOM 0 HD2 ARG B 18 -9.348 -1.710 -7.187 1.00 10.00 H new ATOM 0 HD3 ARG B 18 -8.398 -0.673 -6.142 1.00 10.00 H new ATOM 0 HE ARG B 18 -6.861 -2.466 -7.933 1.00 10.00 H new ATOM 0 HH11 ARG B 18 -8.314 0.749 -7.587 1.00 10.00 H new ATOM 0 HH12 ARG B 18 -7.150 1.504 -8.681 1.00 10.00 H new ATOM 0 HH21 ARG B 18 -5.316 -1.454 -9.232 1.00 10.00 H new ATOM 0 HH22 ARG B 18 -5.466 0.267 -9.606 1.00 10.00 H new ATOM 687 N LYS B 19 -7.496 -5.554 -4.104 1.00 10.00 N ATOM 688 CA LYS B 19 -7.188 -6.971 -4.311 1.00 10.00 C ATOM 689 C LYS B 19 -7.650 -7.822 -3.115 1.00 10.00 C ATOM 690 O LYS B 19 -8.359 -8.813 -3.284 1.00 10.00 O ATOM 691 CB LYS B 19 -5.689 -7.138 -4.597 1.00 10.00 C ATOM 692 CG LYS B 19 -5.330 -8.596 -4.913 1.00 10.00 C ATOM 693 CD LYS B 19 -3.843 -8.698 -5.268 1.00 10.00 C ATOM 694 CE LYS B 19 -3.478 -10.151 -5.581 1.00 10.00 C ATOM 695 NZ LYS B 19 -2.052 -10.276 -5.933 1.00 10.00 N ATOM 0 H LYS B 19 -6.688 -4.935 -4.166 1.00 10.00 H new ATOM 0 HA LYS B 19 -7.740 -7.333 -5.178 1.00 10.00 H new ATOM 0 HB2 LYS B 19 -5.406 -6.503 -5.437 1.00 10.00 H new ATOM 0 HB3 LYS B 19 -5.114 -6.800 -3.735 1.00 10.00 H new ATOM 0 HG2 LYS B 19 -5.553 -9.229 -4.054 1.00 10.00 H new ATOM 0 HG3 LYS B 19 -5.937 -8.958 -5.743 1.00 10.00 H new ATOM 0 HD2 LYS B 19 -3.622 -8.066 -6.128 1.00 10.00 H new ATOM 0 HD3 LYS B 19 -3.237 -8.333 -4.439 1.00 10.00 H new ATOM 0 HE2 LYS B 19 -3.699 -10.779 -4.718 1.00 10.00 H new ATOM 0 HE3 LYS B 19 -4.092 -10.514 -6.405 1.00 10.00 H new ATOM 0 HZ1 LYS B 19 -1.832 -11.271 -6.140 1.00 10.00 H new ATOM 0 HZ2 LYS B 19 -1.849 -9.694 -6.771 1.00 10.00 H new ATOM 0 HZ3 LYS B 19 -1.468 -9.951 -5.136 1.00 10.00 H new ATOM 709 N LEU B 20 -7.290 -7.424 -1.894 1.00 10.00 N ATOM 710 CA LEU B 20 -7.755 -8.083 -0.672 1.00 10.00 C ATOM 711 C LEU B 20 -9.287 -8.005 -0.512 1.00 10.00 C ATOM 712 O LEU B 20 -9.927 -8.979 -0.116 1.00 10.00 O ATOM 713 CB LEU B 20 -6.998 -7.499 0.527 1.00 10.00 C ATOM 714 CG LEU B 20 -5.645 -8.184 0.794 1.00 10.00 C ATOM 715 CD1 LEU B 20 -4.798 -8.491 -0.450 1.00 10.00 C ATOM 716 CD2 LEU B 20 -4.835 -7.271 1.713 1.00 10.00 C ATOM 0 H LEU B 20 -6.667 -6.635 -1.724 1.00 10.00 H new ATOM 0 HA LEU B 20 -7.535 -9.149 -0.734 1.00 10.00 H new ATOM 0 HB2 LEU B 20 -6.830 -6.435 0.357 1.00 10.00 H new ATOM 0 HB3 LEU B 20 -7.621 -7.585 1.417 1.00 10.00 H new ATOM 0 HG LEU B 20 -5.879 -9.154 1.233 1.00 10.00 H new ATOM 0 HD11 LEU B 20 -3.868 -8.972 -0.147 1.00 10.00 H new ATOM 0 HD12 LEU B 20 -5.352 -9.156 -1.112 1.00 10.00 H new ATOM 0 HD13 LEU B 20 -4.572 -7.563 -0.975 1.00 10.00 H new ATOM 0 HD21 LEU B 20 -3.868 -7.730 1.921 1.00 10.00 H new ATOM 0 HD22 LEU B 20 -4.682 -6.308 1.226 1.00 10.00 H new ATOM 0 HD23 LEU B 20 -5.376 -7.123 2.648 1.00 10.00 H new ATOM 728 N LYS B 21 -9.908 -6.875 -0.863 1.00 10.00 N ATOM 729 CA LYS B 21 -11.366 -6.783 -0.917 1.00 10.00 C ATOM 730 C LYS B 21 -11.962 -7.804 -1.903 1.00 10.00 C ATOM 731 O LYS B 21 -12.987 -8.414 -1.613 1.00 10.00 O ATOM 732 CB LYS B 21 -11.787 -5.344 -1.246 1.00 10.00 C ATOM 733 CG LYS B 21 -13.285 -5.127 -1.003 1.00 10.00 C ATOM 734 CD LYS B 21 -13.649 -3.667 -1.295 1.00 10.00 C ATOM 735 CE LYS B 21 -15.143 -3.439 -1.046 1.00 10.00 C ATOM 736 NZ LYS B 21 -15.516 -2.038 -1.315 1.00 10.00 N ATOM 0 H LYS B 21 -9.423 -6.013 -1.113 1.00 10.00 H new ATOM 0 HA LYS B 21 -11.769 -7.036 0.064 1.00 10.00 H new ATOM 0 HB2 LYS B 21 -11.214 -4.647 -0.635 1.00 10.00 H new ATOM 0 HB3 LYS B 21 -11.551 -5.124 -2.287 1.00 10.00 H new ATOM 0 HG2 LYS B 21 -13.867 -5.792 -1.641 1.00 10.00 H new ATOM 0 HG3 LYS B 21 -13.536 -5.375 0.028 1.00 10.00 H new ATOM 0 HD2 LYS B 21 -13.061 -3.003 -0.661 1.00 10.00 H new ATOM 0 HD3 LYS B 21 -13.403 -3.422 -2.328 1.00 10.00 H new ATOM 0 HE2 LYS B 21 -15.727 -4.103 -1.683 1.00 10.00 H new ATOM 0 HE3 LYS B 21 -15.386 -3.692 -0.014 1.00 10.00 H new ATOM 0 HZ1 LYS B 21 -16.533 -1.910 -1.139 1.00 10.00 H new ATOM 0 HZ2 LYS B 21 -14.974 -1.408 -0.689 1.00 10.00 H new ATOM 0 HZ3 LYS B 21 -15.304 -1.807 -2.307 1.00 10.00 H new ATOM 750 N ASN B 22 -11.312 -8.015 -3.054 1.00 10.00 N ATOM 751 CA ASN B 22 -11.693 -9.031 -4.034 1.00 10.00 C ATOM 752 C ASN B 22 -11.459 -10.458 -3.508 1.00 10.00 C ATOM 753 O ASN B 22 -12.272 -11.339 -3.783 1.00 10.00 O ATOM 754 CB ASN B 22 -10.950 -8.783 -5.357 1.00 10.00 C ATOM 755 CG ASN B 22 -11.629 -9.393 -6.585 1.00 10.00 C ATOM 756 OD1 ASN B 22 -11.582 -8.819 -7.664 1.00 10.00 O ATOM 757 ND2 ASN B 22 -12.269 -10.550 -6.476 1.00 10.00 N ATOM 0 H ASN B 22 -10.493 -7.474 -3.332 1.00 10.00 H new ATOM 0 HA ASN B 22 -12.764 -8.946 -4.215 1.00 10.00 H new ATOM 0 HB2 ASN B 22 -10.850 -7.708 -5.508 1.00 10.00 H new ATOM 0 HB3 ASN B 22 -9.941 -9.188 -5.275 1.00 10.00 H new ATOM 0 HD21 ASN B 22 -12.722 -10.961 -7.292 1.00 10.00 H new ATOM 0 HD22 ASN B 22 -12.308 -11.028 -5.576 1.00 10.00 H new ATOM 914 N PRO C 7 6.364 6.030 5.133 1.00 10.00 N ATOM 915 CA PRO C 7 7.379 5.039 4.775 1.00 10.00 C ATOM 916 C PRO C 7 7.332 3.818 5.706 1.00 10.00 C ATOM 917 O PRO C 7 7.533 2.687 5.265 1.00 10.00 O ATOM 918 CB PRO C 7 8.720 5.780 4.828 1.00 10.00 C ATOM 919 CG PRO C 7 8.445 6.968 5.752 1.00 10.00 C ATOM 920 CD PRO C 7 6.987 7.306 5.446 1.00 10.00 C ATOM 0 HA PRO C 7 7.210 4.628 3.780 1.00 10.00 H new ATOM 0 HB2 PRO C 7 9.513 5.144 5.220 1.00 10.00 H new ATOM 0 HB3 PRO C 7 9.035 6.108 3.837 1.00 10.00 H new ATOM 0 HG2 PRO C 7 8.588 6.706 6.800 1.00 10.00 H new ATOM 0 HG3 PRO C 7 9.108 7.807 5.540 1.00 10.00 H new ATOM 0 HD2 PRO C 7 6.504 7.782 6.300 1.00 10.00 H new ATOM 0 HD3 PRO C 7 6.910 7.999 4.608 1.00 10.00 H new ATOM 928 N GLY C 8 6.983 4.038 6.981 1.00 10.00 N ATOM 929 CA GLY C 8 6.649 2.996 7.950 1.00 10.00 C ATOM 930 C GLY C 8 5.735 1.890 7.399 1.00 10.00 C ATOM 931 O GLY C 8 5.895 0.726 7.752 1.00 10.00 O ATOM 0 H GLY C 8 6.925 4.977 7.375 1.00 10.00 H new ATOM 0 HA2 GLY C 8 7.572 2.542 8.311 1.00 10.00 H new ATOM 0 HA3 GLY C 8 6.164 3.458 8.810 1.00 10.00 H new ATOM 935 N PHE C 9 4.788 2.227 6.518 1.00 10.00 N ATOM 936 CA PHE C 9 3.947 1.243 5.838 1.00 10.00 C ATOM 937 C PHE C 9 4.757 0.363 4.870 1.00 10.00 C ATOM 938 O PHE C 9 4.618 -0.857 4.866 1.00 10.00 O ATOM 939 CB PHE C 9 2.811 1.976 5.121 1.00 10.00 C ATOM 940 CG PHE C 9 1.933 1.108 4.245 1.00 10.00 C ATOM 941 CD1 PHE C 9 1.255 0.009 4.798 1.00 10.00 C ATOM 942 CD2 PHE C 9 1.772 1.419 2.881 1.00 10.00 C ATOM 943 CE1 PHE C 9 0.422 -0.782 3.990 1.00 10.00 C ATOM 944 CE2 PHE C 9 0.913 0.648 2.082 1.00 10.00 C ATOM 945 CZ PHE C 9 0.255 -0.466 2.629 1.00 10.00 C ATOM 0 H PHE C 9 4.584 3.192 6.257 1.00 10.00 H new ATOM 0 HA PHE C 9 3.526 0.563 6.579 1.00 10.00 H new ATOM 0 HB2 PHE C 9 2.184 2.460 5.869 1.00 10.00 H new ATOM 0 HB3 PHE C 9 3.242 2.766 4.506 1.00 10.00 H new ATOM 0 HD1 PHE C 9 1.374 -0.228 5.845 1.00 10.00 H new ATOM 0 HD2 PHE C 9 2.309 2.251 2.450 1.00 10.00 H new ATOM 0 HE1 PHE C 9 -0.091 -1.633 4.413 1.00 10.00 H new ATOM 0 HE2 PHE C 9 0.758 0.911 1.046 1.00 10.00 H new ATOM 0 HZ PHE C 9 -0.379 -1.079 2.006 1.00 10.00 H new ATOM 955 N THR C 10 5.646 0.962 4.070 1.00 10.00 N ATOM 956 CA THR C 10 6.541 0.195 3.200 1.00 10.00 C ATOM 957 C THR C 10 7.477 -0.690 4.036 1.00 10.00 C ATOM 958 O THR C 10 7.657 -1.872 3.739 1.00 10.00 O ATOM 959 CB THR C 10 7.309 1.136 2.256 1.00 10.00 C ATOM 960 OG1 THR C 10 6.385 1.850 1.457 1.00 10.00 O ATOM 961 CG2 THR C 10 8.227 0.367 1.305 1.00 10.00 C ATOM 0 H THR C 10 5.764 1.973 4.008 1.00 10.00 H new ATOM 0 HA THR C 10 5.947 -0.472 2.574 1.00 10.00 H new ATOM 0 HB THR C 10 7.909 1.799 2.879 1.00 10.00 H new ATOM 0 HG1 THR C 10 6.870 2.452 0.855 1.00 10.00 H new ATOM 0 HG21 THR C 10 8.750 1.070 0.656 1.00 10.00 H new ATOM 0 HG22 THR C 10 8.954 -0.203 1.883 1.00 10.00 H new ATOM 0 HG23 THR C 10 7.632 -0.314 0.697 1.00 10.00 H new ATOM 969 N ALA C 11 8.034 -0.135 5.119 1.00 10.00 N ATOM 970 CA ALA C 11 8.781 -0.912 6.108 1.00 10.00 C ATOM 971 C ALA C 11 7.952 -2.087 6.654 1.00 10.00 C ATOM 972 O ALA C 11 8.429 -3.221 6.672 1.00 10.00 O ATOM 973 CB ALA C 11 9.280 0.005 7.227 1.00 10.00 C ATOM 0 H ALA C 11 7.979 0.861 5.331 1.00 10.00 H new ATOM 0 HA ALA C 11 9.649 -1.352 5.616 1.00 10.00 H new ATOM 0 HB1 ALA C 11 9.835 -0.582 7.959 1.00 10.00 H new ATOM 0 HB2 ALA C 11 9.932 0.771 6.806 1.00 10.00 H new ATOM 0 HB3 ALA C 11 8.429 0.481 7.714 1.00 10.00 H new ATOM 979 N LEU C 12 6.695 -1.842 7.045 1.00 10.00 N ATOM 980 CA LEU C 12 5.760 -2.893 7.435 1.00 10.00 C ATOM 981 C LEU C 12 5.618 -3.957 6.344 1.00 10.00 C ATOM 982 O LEU C 12 5.770 -5.135 6.643 1.00 10.00 O ATOM 983 CB LEU C 12 4.414 -2.297 7.877 1.00 10.00 C ATOM 984 CG LEU C 12 3.439 -3.357 8.425 1.00 10.00 C ATOM 985 CD1 LEU C 12 2.520 -2.715 9.466 1.00 10.00 C ATOM 986 CD2 LEU C 12 2.543 -3.970 7.338 1.00 10.00 C ATOM 0 H LEU C 12 6.301 -0.903 7.098 1.00 10.00 H new ATOM 0 HA LEU C 12 6.171 -3.410 8.302 1.00 10.00 H new ATOM 0 HB2 LEU C 12 4.591 -1.543 8.644 1.00 10.00 H new ATOM 0 HB3 LEU C 12 3.952 -1.789 7.031 1.00 10.00 H new ATOM 0 HG LEU C 12 4.055 -4.148 8.852 1.00 10.00 H new ATOM 0 HD11 LEU C 12 1.830 -3.464 9.854 1.00 10.00 H new ATOM 0 HD12 LEU C 12 3.120 -2.316 10.284 1.00 10.00 H new ATOM 0 HD13 LEU C 12 1.954 -1.907 9.003 1.00 10.00 H new ATOM 0 HD21 LEU C 12 1.879 -4.709 7.787 1.00 10.00 H new ATOM 0 HD22 LEU C 12 1.949 -3.185 6.871 1.00 10.00 H new ATOM 0 HD23 LEU C 12 3.164 -4.452 6.583 1.00 10.00 H new ATOM 998 N ILE C 13 5.366 -3.581 5.085 1.00 10.00 N ATOM 999 CA ILE C 13 5.312 -4.533 3.967 1.00 10.00 C ATOM 1000 C ILE C 13 6.576 -5.406 3.898 1.00 10.00 C ATOM 1001 O ILE C 13 6.479 -6.633 3.882 1.00 10.00 O ATOM 1002 CB ILE C 13 4.995 -3.810 2.636 1.00 10.00 C ATOM 1003 CG1 ILE C 13 3.489 -3.865 2.331 1.00 10.00 C ATOM 1004 CG2 ILE C 13 5.710 -4.415 1.417 1.00 10.00 C ATOM 1005 CD1 ILE C 13 2.629 -3.121 3.353 1.00 10.00 C ATOM 0 H ILE C 13 5.194 -2.613 4.812 1.00 10.00 H new ATOM 0 HA ILE C 13 4.488 -5.223 4.149 1.00 10.00 H new ATOM 0 HB ILE C 13 5.347 -2.789 2.785 1.00 10.00 H new ATOM 0 HG12 ILE C 13 3.311 -3.441 1.342 1.00 10.00 H new ATOM 0 HG13 ILE C 13 3.173 -4.907 2.293 1.00 10.00 H new ATOM 0 HG21 ILE C 13 5.439 -3.856 0.522 1.00 10.00 H new ATOM 0 HG22 ILE C 13 6.789 -4.363 1.565 1.00 10.00 H new ATOM 0 HG23 ILE C 13 5.410 -5.456 1.299 1.00 10.00 H new ATOM 0 HD11 ILE C 13 1.579 -3.203 3.073 1.00 10.00 H new ATOM 0 HD12 ILE C 13 2.777 -3.559 4.340 1.00 10.00 H new ATOM 0 HD13 ILE C 13 2.918 -2.070 3.375 1.00 10.00 H new ATOM 1017 N LYS C 14 7.766 -4.796 3.889 1.00 10.00 N ATOM 1018 CA LYS C 14 9.023 -5.549 3.886 1.00 10.00 C ATOM 1019 C LYS C 14 9.120 -6.494 5.097 1.00 10.00 C ATOM 1020 O LYS C 14 9.465 -7.668 4.966 1.00 10.00 O ATOM 1021 CB LYS C 14 10.212 -4.580 3.835 1.00 10.00 C ATOM 1022 CG LYS C 14 10.262 -3.827 2.497 1.00 10.00 C ATOM 1023 CD LYS C 14 11.539 -2.988 2.349 1.00 10.00 C ATOM 1024 CE LYS C 14 11.609 -1.861 3.385 1.00 10.00 C ATOM 1025 NZ LYS C 14 12.755 -0.973 3.121 1.00 10.00 N ATOM 0 H LYS C 14 7.884 -3.783 3.884 1.00 10.00 H new ATOM 0 HA LYS C 14 9.047 -6.176 2.995 1.00 10.00 H new ATOM 0 HB2 LYS C 14 10.137 -3.865 4.654 1.00 10.00 H new ATOM 0 HB3 LYS C 14 11.141 -5.133 3.979 1.00 10.00 H new ATOM 0 HG2 LYS C 14 10.203 -4.543 1.677 1.00 10.00 H new ATOM 0 HG3 LYS C 14 9.391 -3.177 2.416 1.00 10.00 H new ATOM 0 HD2 LYS C 14 12.411 -3.633 2.456 1.00 10.00 H new ATOM 0 HD3 LYS C 14 11.579 -2.562 1.347 1.00 10.00 H new ATOM 0 HE2 LYS C 14 10.684 -1.284 3.363 1.00 10.00 H new ATOM 0 HE3 LYS C 14 11.696 -2.286 4.385 1.00 10.00 H new ATOM 0 HZ1 LYS C 14 12.781 -0.218 3.836 1.00 10.00 H new ATOM 0 HZ2 LYS C 14 13.637 -1.522 3.165 1.00 10.00 H new ATOM 0 HZ3 LYS C 14 12.657 -0.551 2.175 1.00 10.00 H new ATOM 1039 N THR C 15 8.775 -5.988 6.281 1.00 10.00 N ATOM 1040 CA THR C 15 8.776 -6.760 7.522 1.00 10.00 C ATOM 1041 C THR C 15 7.753 -7.908 7.496 1.00 10.00 C ATOM 1042 O THR C 15 8.016 -8.986 8.023 1.00 10.00 O ATOM 1043 CB THR C 15 8.548 -5.825 8.715 1.00 10.00 C ATOM 1044 OG1 THR C 15 9.478 -4.763 8.695 1.00 10.00 O ATOM 1045 CG2 THR C 15 8.791 -6.548 10.032 1.00 10.00 C ATOM 0 H THR C 15 8.484 -5.019 6.406 1.00 10.00 H new ATOM 0 HA THR C 15 9.754 -7.230 7.627 1.00 10.00 H new ATOM 0 HB THR C 15 7.520 -5.471 8.638 1.00 10.00 H new ATOM 0 HG1 THR C 15 9.216 -4.111 8.012 1.00 10.00 H new ATOM 0 HG21 THR C 15 8.622 -5.861 10.861 1.00 10.00 H new ATOM 0 HG22 THR C 15 8.107 -7.392 10.115 1.00 10.00 H new ATOM 0 HG23 THR C 15 9.819 -6.910 10.064 1.00 10.00 H new ATOM 1053 N LEU C 16 6.589 -7.704 6.875 1.00 10.00 N ATOM 1054 CA LEU C 16 5.560 -8.723 6.679 1.00 10.00 C ATOM 1055 C LEU C 16 6.078 -9.813 5.735 1.00 10.00 C ATOM 1056 O LEU C 16 6.054 -10.994 6.075 1.00 10.00 O ATOM 1057 CB LEU C 16 4.275 -8.049 6.166 1.00 10.00 C ATOM 1058 CG LEU C 16 3.018 -8.934 6.239 1.00 10.00 C ATOM 1059 CD1 LEU C 16 1.775 -8.035 6.269 1.00 10.00 C ATOM 1060 CD2 LEU C 16 2.892 -9.884 5.041 1.00 10.00 C ATOM 0 H LEU C 16 6.331 -6.798 6.484 1.00 10.00 H new ATOM 0 HA LEU C 16 5.320 -9.213 7.622 1.00 10.00 H new ATOM 0 HB2 LEU C 16 4.100 -7.142 6.745 1.00 10.00 H new ATOM 0 HB3 LEU C 16 4.429 -7.742 5.131 1.00 10.00 H new ATOM 0 HG LEU C 16 3.102 -9.539 7.142 1.00 10.00 H new ATOM 0 HD11 LEU C 16 0.879 -8.654 6.321 1.00 10.00 H new ATOM 0 HD12 LEU C 16 1.817 -7.385 7.143 1.00 10.00 H new ATOM 0 HD13 LEU C 16 1.744 -7.427 5.365 1.00 10.00 H new ATOM 0 HD21 LEU C 16 1.988 -10.484 5.146 1.00 10.00 H new ATOM 0 HD22 LEU C 16 2.838 -9.303 4.120 1.00 10.00 H new ATOM 0 HD23 LEU C 16 3.761 -10.541 5.005 1.00 10.00 H new ATOM 1072 N ARG C 17 6.584 -9.405 4.567 1.00 10.00 N ATOM 1073 CA ARG C 17 7.269 -10.273 3.611 1.00 10.00 C ATOM 1074 C ARG C 17 8.343 -11.129 4.300 1.00 10.00 C ATOM 1075 O ARG C 17 8.375 -12.346 4.121 1.00 10.00 O ATOM 1076 CB ARG C 17 7.805 -9.386 2.477 1.00 10.00 C ATOM 1077 CG ARG C 17 8.595 -10.107 1.377 1.00 10.00 C ATOM 1078 CD ARG C 17 10.099 -10.225 1.667 1.00 10.00 C ATOM 1079 NE ARG C 17 10.456 -11.538 2.220 1.00 10.00 N ATOM 1080 CZ ARG C 17 11.702 -11.965 2.447 1.00 10.00 C ATOM 1081 NH1 ARG C 17 12.745 -11.153 2.298 1.00 10.00 N ATOM 1082 NH2 ARG C 17 11.897 -13.226 2.813 1.00 10.00 N ATOM 0 H ARG C 17 6.526 -8.436 4.254 1.00 10.00 H new ATOM 0 HA ARG C 17 6.582 -11.001 3.179 1.00 10.00 H new ATOM 0 HB2 ARG C 17 6.962 -8.872 2.015 1.00 10.00 H new ATOM 0 HB3 ARG C 17 8.445 -8.619 2.914 1.00 10.00 H new ATOM 0 HG2 ARG C 17 8.181 -11.106 1.242 1.00 10.00 H new ATOM 0 HG3 ARG C 17 8.457 -9.575 0.436 1.00 10.00 H new ATOM 0 HD2 ARG C 17 10.659 -10.056 0.747 1.00 10.00 H new ATOM 0 HD3 ARG C 17 10.394 -9.445 2.368 1.00 10.00 H new ATOM 0 HE ARG C 17 9.692 -12.174 2.449 1.00 10.00 H new ATOM 0 HH11 ARG C 17 12.601 -10.186 2.006 1.00 10.00 H new ATOM 0 HH12 ARG C 17 13.689 -11.497 2.476 1.00 10.00 H new ATOM 0 HH21 ARG C 17 11.101 -13.856 2.918 1.00 10.00 H new ATOM 0 HH22 ARG C 17 12.843 -13.565 2.989 1.00 10.00 H new ATOM 1096 N LYS C 18 9.183 -10.512 5.138 1.00 10.00 N ATOM 1097 CA LYS C 18 10.131 -11.236 5.982 1.00 10.00 C ATOM 1098 C LYS C 18 9.425 -12.219 6.935 1.00 10.00 C ATOM 1099 O LYS C 18 9.675 -13.420 6.869 1.00 10.00 O ATOM 1100 CB LYS C 18 11.024 -10.231 6.725 1.00 10.00 C ATOM 1101 CG LYS C 18 12.004 -10.873 7.721 1.00 10.00 C ATOM 1102 CD LYS C 18 12.897 -11.970 7.121 1.00 10.00 C ATOM 1103 CE LYS C 18 13.755 -11.445 5.966 1.00 10.00 C ATOM 1104 NZ LYS C 18 14.679 -12.486 5.484 1.00 10.00 N ATOM 0 H LYS C 18 9.222 -9.499 5.248 1.00 10.00 H new ATOM 0 HA LYS C 18 10.766 -11.854 5.348 1.00 10.00 H new ATOM 0 HB2 LYS C 18 11.592 -9.657 5.993 1.00 10.00 H new ATOM 0 HB3 LYS C 18 10.389 -9.525 7.261 1.00 10.00 H new ATOM 0 HG2 LYS C 18 12.640 -10.093 8.139 1.00 10.00 H new ATOM 0 HG3 LYS C 18 11.435 -11.298 8.548 1.00 10.00 H new ATOM 0 HD2 LYS C 18 13.545 -12.375 7.898 1.00 10.00 H new ATOM 0 HD3 LYS C 18 12.274 -12.790 6.766 1.00 10.00 H new ATOM 0 HE2 LYS C 18 13.112 -11.117 5.149 1.00 10.00 H new ATOM 0 HE3 LYS C 18 14.322 -10.574 6.295 1.00 10.00 H new ATOM 0 HZ1 LYS C 18 15.250 -12.108 4.701 1.00 10.00 H new ATOM 0 HZ2 LYS C 18 15.306 -12.780 6.260 1.00 10.00 H new ATOM 0 HZ3 LYS C 18 14.134 -13.306 5.150 1.00 10.00 H new ATOM 1118 N CYS C 19 8.544 -11.727 7.818 1.00 10.00 N ATOM 1119 CA CYS C 19 7.811 -12.538 8.797 1.00 10.00 C ATOM 1120 C CYS C 19 7.191 -13.797 8.173 1.00 10.00 C ATOM 1121 O CYS C 19 7.373 -14.905 8.671 1.00 10.00 O ATOM 1122 CB CYS C 19 6.712 -11.698 9.467 1.00 10.00 C ATOM 1123 SG CYS C 19 5.664 -12.658 10.595 1.00 10.00 S ATOM 0 H CYS C 19 8.318 -10.734 7.871 1.00 10.00 H new ATOM 0 HA CYS C 19 8.535 -12.865 9.543 1.00 10.00 H new ATOM 0 HB2 CYS C 19 7.175 -10.880 10.019 1.00 10.00 H new ATOM 0 HB3 CYS C 19 6.087 -11.248 8.696 1.00 10.00 H new ATOM 0 HG CYS C 19 4.471 -12.142 10.624 1.00 10.00 H new ATOM 1278 N ILE D 7 -4.079 8.719 15.480 1.00 10.00 N ATOM 1279 CA ILE D 7 -3.283 8.206 16.595 1.00 10.00 C ATOM 1280 C ILE D 7 -3.464 6.693 16.810 1.00 10.00 C ATOM 1281 O ILE D 7 -2.485 5.977 17.012 1.00 10.00 O ATOM 1282 CB ILE D 7 -3.548 9.025 17.874 1.00 10.00 C ATOM 1283 CG1 ILE D 7 -5.006 8.918 18.363 1.00 10.00 C ATOM 1284 CG2 ILE D 7 -3.142 10.488 17.639 1.00 10.00 C ATOM 1285 CD1 ILE D 7 -5.271 9.740 19.628 1.00 10.00 C ATOM 0 HA ILE D 7 -2.232 8.334 16.334 1.00 10.00 H new ATOM 0 HB ILE D 7 -2.937 8.603 18.672 1.00 10.00 H new ATOM 0 HG12 ILE D 7 -5.675 9.253 17.571 1.00 10.00 H new ATOM 0 HG13 ILE D 7 -5.243 7.872 18.559 1.00 10.00 H new ATOM 0 HG21 ILE D 7 -3.329 11.067 18.543 1.00 10.00 H new ATOM 0 HG22 ILE D 7 -2.082 10.536 17.390 1.00 10.00 H new ATOM 0 HG23 ILE D 7 -3.727 10.900 16.816 1.00 10.00 H new ATOM 0 HD11 ILE D 7 -6.314 9.625 19.925 1.00 10.00 H new ATOM 0 HD12 ILE D 7 -4.624 9.389 20.432 1.00 10.00 H new ATOM 0 HD13 ILE D 7 -5.064 10.791 19.429 1.00 10.00 H new ATOM 1297 N GLU D 8 -4.701 6.191 16.728 1.00 10.00 N ATOM 1298 CA GLU D 8 -4.996 4.765 16.837 1.00 10.00 C ATOM 1299 C GLU D 8 -4.325 4.010 15.684 1.00 10.00 C ATOM 1300 O GLU D 8 -3.638 3.014 15.898 1.00 10.00 O ATOM 1301 CB GLU D 8 -6.520 4.568 16.837 1.00 10.00 C ATOM 1302 CG GLU D 8 -6.925 3.090 16.969 1.00 10.00 C ATOM 1303 CD GLU D 8 -8.424 2.906 16.755 1.00 10.00 C ATOM 1304 OE1 GLU D 8 -8.852 3.055 15.589 1.00 10.00 O ATOM 1305 OE2 GLU D 8 -9.126 2.655 17.758 1.00 10.00 O ATOM 0 H GLU D 8 -5.528 6.770 16.583 1.00 10.00 H new ATOM 0 HA GLU D 8 -4.599 4.364 17.769 1.00 10.00 H new ATOM 0 HB2 GLU D 8 -6.956 5.135 17.659 1.00 10.00 H new ATOM 0 HB3 GLU D 8 -6.935 4.974 15.914 1.00 10.00 H new ATOM 0 HG2 GLU D 8 -6.375 2.493 16.241 1.00 10.00 H new ATOM 0 HG3 GLU D 8 -6.648 2.722 17.957 1.00 10.00 H new ATOM 1312 N ALA D 9 -4.504 4.512 14.460 1.00 10.00 N ATOM 1313 CA ALA D 9 -3.862 3.967 13.271 1.00 10.00 C ATOM 1314 C ALA D 9 -2.332 3.928 13.417 1.00 10.00 C ATOM 1315 O ALA D 9 -1.717 2.909 13.115 1.00 10.00 O ATOM 1316 CB ALA D 9 -4.313 4.755 12.038 1.00 10.00 C ATOM 0 H ALA D 9 -5.104 5.314 14.269 1.00 10.00 H new ATOM 0 HA ALA D 9 -4.174 2.930 13.144 1.00 10.00 H new ATOM 0 HB1 ALA D 9 -3.832 4.346 11.149 1.00 10.00 H new ATOM 0 HB2 ALA D 9 -5.395 4.678 11.933 1.00 10.00 H new ATOM 0 HB3 ALA D 9 -4.033 5.802 12.153 1.00 10.00 H new ATOM 1322 N ARG D 10 -1.711 5.007 13.911 1.00 10.00 N ATOM 1323 CA ARG D 10 -0.265 5.051 14.128 1.00 10.00 C ATOM 1324 C ARG D 10 0.204 4.077 15.219 1.00 10.00 C ATOM 1325 O ARG D 10 1.162 3.331 15.015 1.00 10.00 O ATOM 1326 CB ARG D 10 0.199 6.487 14.403 1.00 10.00 C ATOM 1327 CG ARG D 10 1.724 6.558 14.239 1.00 10.00 C ATOM 1328 CD ARG D 10 2.254 7.991 14.303 1.00 10.00 C ATOM 1329 NE ARG D 10 3.629 8.021 13.778 1.00 10.00 N ATOM 1330 CZ ARG D 10 4.106 8.867 12.858 1.00 10.00 C ATOM 1331 NH1 ARG D 10 3.488 10.003 12.553 1.00 10.00 N ATOM 1332 NH2 ARG D 10 5.230 8.572 12.215 1.00 10.00 N ATOM 0 H ARG D 10 -2.196 5.867 14.169 1.00 10.00 H new ATOM 0 HA ARG D 10 0.208 4.713 13.206 1.00 10.00 H new ATOM 0 HB2 ARG D 10 -0.287 7.178 13.714 1.00 10.00 H new ATOM 0 HB3 ARG D 10 -0.086 6.789 15.411 1.00 10.00 H new ATOM 0 HG2 ARG D 10 2.198 5.964 15.020 1.00 10.00 H new ATOM 0 HG3 ARG D 10 2.005 6.113 13.285 1.00 10.00 H new ATOM 0 HD2 ARG D 10 1.615 8.654 13.721 1.00 10.00 H new ATOM 0 HD3 ARG D 10 2.236 8.353 15.331 1.00 10.00 H new ATOM 0 HE ARG D 10 4.280 7.331 14.151 1.00 10.00 H new ATOM 0 HH11 ARG D 10 2.620 10.254 13.026 1.00 10.00 H new ATOM 0 HH12 ARG D 10 3.882 10.624 11.846 1.00 10.00 H new ATOM 0 HH21 ARG D 10 5.724 7.705 12.424 1.00 10.00 H new ATOM 0 HH22 ARG D 10 5.599 9.213 11.512 1.00 10.00 H new ATOM 1346 N LYS D 11 -0.468 4.056 16.373 1.00 10.00 N ATOM 1347 CA LYS D 11 -0.188 3.076 17.423 1.00 10.00 C ATOM 1348 C LYS D 11 -0.297 1.643 16.880 1.00 10.00 C ATOM 1349 O LYS D 11 0.615 0.835 17.052 1.00 10.00 O ATOM 1350 CB LYS D 11 -1.138 3.304 18.606 1.00 10.00 C ATOM 1351 CG LYS D 11 -0.774 4.584 19.369 1.00 10.00 C ATOM 1352 CD LYS D 11 -1.854 4.894 20.413 1.00 10.00 C ATOM 1353 CE LYS D 11 -1.586 6.225 21.124 1.00 10.00 C ATOM 1354 NZ LYS D 11 -0.342 6.181 21.914 1.00 10.00 N ATOM 0 H LYS D 11 -1.215 4.712 16.604 1.00 10.00 H new ATOM 0 HA LYS D 11 0.836 3.209 17.771 1.00 10.00 H new ATOM 0 HB2 LYS D 11 -2.164 3.372 18.244 1.00 10.00 H new ATOM 0 HB3 LYS D 11 -1.094 2.450 19.281 1.00 10.00 H new ATOM 0 HG2 LYS D 11 0.193 4.464 19.858 1.00 10.00 H new ATOM 0 HG3 LYS D 11 -0.678 5.418 18.673 1.00 10.00 H new ATOM 0 HD2 LYS D 11 -2.830 4.930 19.928 1.00 10.00 H new ATOM 0 HD3 LYS D 11 -1.892 4.090 21.148 1.00 10.00 H new ATOM 0 HE2 LYS D 11 -1.520 7.025 20.386 1.00 10.00 H new ATOM 0 HE3 LYS D 11 -2.424 6.463 21.779 1.00 10.00 H new ATOM 0 HZ1 LYS D 11 -0.238 7.068 22.447 1.00 10.00 H new ATOM 0 HZ2 LYS D 11 -0.380 5.381 22.577 1.00 10.00 H new ATOM 0 HZ3 LYS D 11 0.471 6.063 21.276 1.00 10.00 H new ATOM 1368 N TYR D 12 -1.398 1.336 16.188 1.00 10.00 N ATOM 1369 CA TYR D 12 -1.624 0.043 15.553 1.00 10.00 C ATOM 1370 C TYR D 12 -0.532 -0.304 14.527 1.00 10.00 C ATOM 1371 O TYR D 12 0.008 -1.407 14.565 1.00 10.00 O ATOM 1372 CB TYR D 12 -3.028 0.016 14.939 1.00 10.00 C ATOM 1373 CG TYR D 12 -3.394 -1.323 14.329 1.00 10.00 C ATOM 1374 CD1 TYR D 12 -3.517 -2.457 15.153 1.00 10.00 C ATOM 1375 CD2 TYR D 12 -3.538 -1.451 12.936 1.00 10.00 C ATOM 1376 CE1 TYR D 12 -3.733 -3.723 14.583 1.00 10.00 C ATOM 1377 CE2 TYR D 12 -3.746 -2.719 12.367 1.00 10.00 C ATOM 1378 CZ TYR D 12 -3.825 -3.853 13.189 1.00 10.00 C ATOM 1379 OH TYR D 12 -3.995 -5.080 12.633 1.00 10.00 O ATOM 0 H TYR D 12 -2.167 1.992 16.054 1.00 10.00 H new ATOM 0 HA TYR D 12 -1.562 -0.733 16.316 1.00 10.00 H new ATOM 0 HB2 TYR D 12 -3.758 0.268 15.709 1.00 10.00 H new ATOM 0 HB3 TYR D 12 -3.095 0.787 14.171 1.00 10.00 H new ATOM 0 HD1 TYR D 12 -3.445 -2.354 16.226 1.00 10.00 H new ATOM 0 HD2 TYR D 12 -3.489 -0.576 12.305 1.00 10.00 H new ATOM 0 HE1 TYR D 12 -3.828 -4.593 15.216 1.00 10.00 H new ATOM 0 HE2 TYR D 12 -3.845 -2.820 11.296 1.00 10.00 H new ATOM 0 HH TYR D 12 -4.269 -5.718 13.325 1.00 10.00 H new ATOM 1389 N LEU D 13 -0.186 0.635 13.638 1.00 10.00 N ATOM 1390 CA LEU D 13 0.935 0.527 12.701 1.00 10.00 C ATOM 1391 C LEU D 13 2.233 0.153 13.426 1.00 10.00 C ATOM 1392 O LEU D 13 2.847 -0.864 13.113 1.00 10.00 O ATOM 1393 CB LEU D 13 1.080 1.852 11.925 1.00 10.00 C ATOM 1394 CG LEU D 13 2.342 1.975 11.054 1.00 10.00 C ATOM 1395 CD1 LEU D 13 2.398 0.907 9.961 1.00 10.00 C ATOM 1396 CD2 LEU D 13 2.372 3.360 10.398 1.00 10.00 C ATOM 0 H LEU D 13 -0.694 1.515 13.550 1.00 10.00 H new ATOM 0 HA LEU D 13 0.731 -0.275 11.992 1.00 10.00 H new ATOM 0 HB2 LEU D 13 0.205 1.976 11.286 1.00 10.00 H new ATOM 0 HB3 LEU D 13 1.072 2.674 12.640 1.00 10.00 H new ATOM 0 HG LEU D 13 3.205 1.834 11.705 1.00 10.00 H new ATOM 0 HD11 LEU D 13 3.307 1.035 9.373 1.00 10.00 H new ATOM 0 HD12 LEU D 13 2.399 -0.082 10.419 1.00 10.00 H new ATOM 0 HD13 LEU D 13 1.528 1.005 9.311 1.00 10.00 H new ATOM 0 HD21 LEU D 13 3.265 3.451 9.780 1.00 10.00 H new ATOM 0 HD22 LEU D 13 1.486 3.487 9.776 1.00 10.00 H new ATOM 0 HD23 LEU D 13 2.386 4.128 11.171 1.00 10.00 H new ATOM 1408 N GLU D 14 2.644 0.970 14.400 1.00 10.00 N ATOM 1409 CA GLU D 14 3.844 0.745 15.201 1.00 10.00 C ATOM 1410 C GLU D 14 3.838 -0.652 15.847 1.00 10.00 C ATOM 1411 O GLU D 14 4.752 -1.449 15.635 1.00 10.00 O ATOM 1412 CB GLU D 14 3.941 1.879 16.233 1.00 10.00 C ATOM 1413 CG GLU D 14 5.194 1.754 17.108 1.00 10.00 C ATOM 1414 CD GLU D 14 5.332 2.930 18.070 1.00 10.00 C ATOM 1415 OE1 GLU D 14 4.747 2.837 19.171 1.00 10.00 O ATOM 1416 OE2 GLU D 14 6.022 3.900 17.687 1.00 10.00 O ATOM 0 H GLU D 14 2.142 1.820 14.656 1.00 10.00 H new ATOM 0 HA GLU D 14 4.732 0.763 14.569 1.00 10.00 H new ATOM 0 HB2 GLU D 14 3.954 2.839 15.717 1.00 10.00 H new ATOM 0 HB3 GLU D 14 3.054 1.870 16.866 1.00 10.00 H new ATOM 0 HG2 GLU D 14 5.150 0.824 17.675 1.00 10.00 H new ATOM 0 HG3 GLU D 14 6.078 1.699 16.472 1.00 10.00 H new ATOM 1423 N GLN D 15 2.783 -0.952 16.611 1.00 10.00 N ATOM 1424 CA GLN D 15 2.539 -2.258 17.216 1.00 10.00 C ATOM 1425 C GLN D 15 2.718 -3.397 16.202 1.00 10.00 C ATOM 1426 O GLN D 15 3.524 -4.301 16.413 1.00 10.00 O ATOM 1427 CB GLN D 15 1.138 -2.221 17.851 1.00 10.00 C ATOM 1428 CG GLN D 15 0.616 -3.561 18.398 1.00 10.00 C ATOM 1429 CD GLN D 15 0.071 -4.523 17.342 1.00 10.00 C ATOM 1430 OE1 GLN D 15 0.377 -5.707 17.355 1.00 10.00 O ATOM 1431 NE2 GLN D 15 -0.744 -4.049 16.410 1.00 10.00 N ATOM 0 H GLN D 15 2.056 -0.271 16.830 1.00 10.00 H new ATOM 0 HA GLN D 15 3.275 -2.466 17.993 1.00 10.00 H new ATOM 0 HB2 GLN D 15 1.148 -1.497 18.665 1.00 10.00 H new ATOM 0 HB3 GLN D 15 0.432 -1.854 17.106 1.00 10.00 H new ATOM 0 HG2 GLN D 15 1.425 -4.056 18.936 1.00 10.00 H new ATOM 0 HG3 GLN D 15 -0.172 -3.358 19.123 1.00 10.00 H new ATOM 0 HE21 GLN D 15 -0.994 -3.060 16.406 1.00 10.00 H new ATOM 0 HE22 GLN D 15 -1.121 -4.673 15.697 1.00 10.00 H new ATOM 1440 N LEU D 16 1.968 -3.358 15.099 1.00 10.00 N ATOM 1441 CA LEU D 16 1.970 -4.421 14.103 1.00 10.00 C ATOM 1442 C LEU D 16 3.347 -4.571 13.447 1.00 10.00 C ATOM 1443 O LEU D 16 3.875 -5.678 13.361 1.00 10.00 O ATOM 1444 CB LEU D 16 0.855 -4.157 13.085 1.00 10.00 C ATOM 1445 CG LEU D 16 0.722 -5.256 12.020 1.00 10.00 C ATOM 1446 CD1 LEU D 16 0.494 -6.647 12.627 1.00 10.00 C ATOM 1447 CD2 LEU D 16 -0.472 -4.918 11.123 1.00 10.00 C ATOM 0 H LEU D 16 1.342 -2.585 14.875 1.00 10.00 H new ATOM 0 HA LEU D 16 1.769 -5.376 14.588 1.00 10.00 H new ATOM 0 HB2 LEU D 16 -0.093 -4.059 13.614 1.00 10.00 H new ATOM 0 HB3 LEU D 16 1.044 -3.204 12.590 1.00 10.00 H new ATOM 0 HG LEU D 16 1.657 -5.289 11.461 1.00 10.00 H new ATOM 0 HD11 LEU D 16 0.408 -7.383 11.828 1.00 10.00 H new ATOM 0 HD12 LEU D 16 1.336 -6.906 13.269 1.00 10.00 H new ATOM 0 HD13 LEU D 16 -0.423 -6.641 13.216 1.00 10.00 H new ATOM 0 HD21 LEU D 16 -0.583 -5.688 10.359 1.00 10.00 H new ATOM 0 HD22 LEU D 16 -1.379 -4.872 11.726 1.00 10.00 H new ATOM 0 HD23 LEU D 16 -0.306 -3.953 10.644 1.00 10.00 H new ATOM 1459 N HIS D 17 3.950 -3.459 13.017 1.00 10.00 N ATOM 1460 CA HIS D 17 5.310 -3.430 12.486 1.00 10.00 C ATOM 1461 C HIS D 17 6.295 -4.115 13.449 1.00 10.00 C ATOM 1462 O HIS D 17 7.026 -5.021 13.050 1.00 10.00 O ATOM 1463 CB HIS D 17 5.693 -1.971 12.196 1.00 10.00 C ATOM 1464 CG HIS D 17 7.035 -1.758 11.540 1.00 10.00 C ATOM 1465 ND1 HIS D 17 7.750 -0.582 11.575 1.00 10.00 N ATOM 1466 CD2 HIS D 17 7.707 -2.621 10.713 1.00 10.00 C ATOM 1467 CE1 HIS D 17 8.833 -0.739 10.796 1.00 10.00 C ATOM 1468 NE2 HIS D 17 8.851 -1.963 10.249 1.00 10.00 N ATOM 0 H HIS D 17 3.499 -2.544 13.029 1.00 10.00 H new ATOM 0 HA HIS D 17 5.359 -3.994 11.554 1.00 10.00 H new ATOM 0 HB2 HIS D 17 4.925 -1.535 11.557 1.00 10.00 H new ATOM 0 HB3 HIS D 17 5.678 -1.418 13.135 1.00 10.00 H new ATOM 0 HD1 HIS D 17 7.502 0.258 12.098 1.00 10.00 H new ATOM 0 HD2 HIS D 17 7.407 -3.628 10.464 1.00 10.00 H new ATOM 0 HE1 HIS D 17 9.586 0.017 10.633 1.00 10.00 H new ATOM 1476 N ARG D 18 6.286 -3.722 14.728 1.00 10.00 N ATOM 1477 CA ARG D 18 7.101 -4.359 15.762 1.00 10.00 C ATOM 1478 C ARG D 18 6.816 -5.865 15.893 1.00 10.00 C ATOM 1479 O ARG D 18 7.747 -6.669 15.856 1.00 10.00 O ATOM 1480 CB ARG D 18 6.909 -3.633 17.100 1.00 10.00 C ATOM 1481 CG ARG D 18 7.585 -2.257 17.083 1.00 10.00 C ATOM 1482 CD ARG D 18 7.251 -1.491 18.364 1.00 10.00 C ATOM 1483 NE ARG D 18 7.911 -0.177 18.366 1.00 10.00 N ATOM 1484 CZ ARG D 18 7.658 0.817 19.222 1.00 10.00 C ATOM 1485 NH1 ARG D 18 6.770 0.666 20.202 1.00 10.00 N ATOM 1486 NH2 ARG D 18 8.287 1.979 19.086 1.00 10.00 N ATOM 0 H ARG D 18 5.712 -2.952 15.073 1.00 10.00 H new ATOM 0 HA ARG D 18 8.145 -4.274 15.461 1.00 10.00 H new ATOM 0 HB2 ARG D 18 5.845 -3.516 17.305 1.00 10.00 H new ATOM 0 HB3 ARG D 18 7.325 -4.236 17.907 1.00 10.00 H new ATOM 0 HG2 ARG D 18 8.665 -2.375 16.992 1.00 10.00 H new ATOM 0 HG3 ARG D 18 7.252 -1.690 16.214 1.00 10.00 H new ATOM 0 HD2 ARG D 18 6.172 -1.362 18.447 1.00 10.00 H new ATOM 0 HD3 ARG D 18 7.571 -2.066 19.233 1.00 10.00 H new ATOM 0 HE ARG D 18 8.622 -0.010 17.654 1.00 10.00 H new ATOM 0 HH11 ARG D 18 6.272 -0.218 20.307 1.00 10.00 H new ATOM 0 HH12 ARG D 18 6.588 1.434 20.848 1.00 10.00 H new ATOM 0 HH21 ARG D 18 8.960 2.109 18.331 1.00 10.00 H new ATOM 0 HH22 ARG D 18 8.097 2.741 19.737 1.00 10.00 H new ATOM 1500 N LYS D 19 5.550 -6.269 16.043 1.00 10.00 N ATOM 1501 CA LYS D 19 5.185 -7.685 16.131 1.00 10.00 C ATOM 1502 C LYS D 19 5.689 -8.490 14.924 1.00 10.00 C ATOM 1503 O LYS D 19 6.314 -9.536 15.094 1.00 10.00 O ATOM 1504 CB LYS D 19 3.668 -7.844 16.305 1.00 10.00 C ATOM 1505 CG LYS D 19 3.148 -7.422 17.689 1.00 10.00 C ATOM 1506 CD LYS D 19 3.774 -8.164 18.881 1.00 10.00 C ATOM 1507 CE LYS D 19 3.680 -9.687 18.737 1.00 10.00 C ATOM 1508 NZ LYS D 19 4.150 -10.365 19.958 1.00 10.00 N ATOM 0 H LYS D 19 4.757 -5.630 16.106 1.00 10.00 H new ATOM 0 HA LYS D 19 5.679 -8.093 17.013 1.00 10.00 H new ATOM 0 HB2 LYS D 19 3.162 -7.252 15.542 1.00 10.00 H new ATOM 0 HB3 LYS D 19 3.400 -8.886 16.130 1.00 10.00 H new ATOM 0 HG2 LYS D 19 3.324 -6.354 17.815 1.00 10.00 H new ATOM 0 HG3 LYS D 19 2.069 -7.573 17.715 1.00 10.00 H new ATOM 0 HD2 LYS D 19 4.821 -7.875 18.976 1.00 10.00 H new ATOM 0 HD3 LYS D 19 3.274 -7.857 19.800 1.00 10.00 H new ATOM 0 HE2 LYS D 19 2.648 -9.973 18.533 1.00 10.00 H new ATOM 0 HE3 LYS D 19 4.276 -10.012 17.884 1.00 10.00 H new ATOM 0 HZ1 LYS D 19 4.076 -11.395 19.834 1.00 10.00 H new ATOM 0 HZ2 LYS D 19 5.142 -10.109 20.138 1.00 10.00 H new ATOM 0 HZ3 LYS D 19 3.565 -10.071 20.766 1.00 10.00 H new ATOM 1522 N LEU D 20 5.460 -7.995 13.705 1.00 10.00 N ATOM 1523 CA LEU D 20 6.004 -8.608 12.497 1.00 10.00 C ATOM 1524 C LEU D 20 7.539 -8.684 12.553 1.00 10.00 C ATOM 1525 O LEU D 20 8.127 -9.724 12.272 1.00 10.00 O ATOM 1526 CB LEU D 20 5.515 -7.851 11.256 1.00 10.00 C ATOM 1527 CG LEU D 20 3.996 -7.959 11.038 1.00 10.00 C ATOM 1528 CD1 LEU D 20 3.577 -6.908 10.009 1.00 10.00 C ATOM 1529 CD2 LEU D 20 3.583 -9.350 10.543 1.00 10.00 C ATOM 0 H LEU D 20 4.896 -7.163 13.531 1.00 10.00 H new ATOM 0 HA LEU D 20 5.640 -9.633 12.432 1.00 10.00 H new ATOM 0 HB2 LEU D 20 5.788 -6.800 11.349 1.00 10.00 H new ATOM 0 HB3 LEU D 20 6.030 -8.238 10.377 1.00 10.00 H new ATOM 0 HG LEU D 20 3.499 -7.791 11.994 1.00 10.00 H new ATOM 0 HD11 LEU D 20 2.502 -6.971 9.842 1.00 10.00 H new ATOM 0 HD12 LEU D 20 3.829 -5.915 10.380 1.00 10.00 H new ATOM 0 HD13 LEU D 20 4.101 -7.089 9.070 1.00 10.00 H new ATOM 0 HD21 LEU D 20 2.502 -9.380 10.403 1.00 10.00 H new ATOM 0 HD22 LEU D 20 4.078 -9.561 9.595 1.00 10.00 H new ATOM 0 HD23 LEU D 20 3.875 -10.099 11.279 1.00 10.00 H new ATOM 1541 N LYS D 21 8.211 -7.604 12.956 1.00 10.00 N ATOM 1542 CA LYS D 21 9.666 -7.610 13.111 1.00 10.00 C ATOM 1543 C LYS D 21 10.130 -8.701 14.089 1.00 10.00 C ATOM 1544 O LYS D 21 11.076 -9.437 13.809 1.00 10.00 O ATOM 1545 CB LYS D 21 10.138 -6.203 13.503 1.00 10.00 C ATOM 1546 CG LYS D 21 11.600 -5.964 13.105 1.00 10.00 C ATOM 1547 CD LYS D 21 12.038 -4.511 13.359 1.00 10.00 C ATOM 1548 CE LYS D 21 11.179 -3.455 12.645 1.00 10.00 C ATOM 1549 NZ LYS D 21 11.036 -3.727 11.202 1.00 10.00 N ATOM 0 H LYS D 21 7.769 -6.713 13.181 1.00 10.00 H new ATOM 0 HA LYS D 21 10.132 -7.865 12.159 1.00 10.00 H new ATOM 0 HB2 LYS D 21 9.503 -5.459 13.022 1.00 10.00 H new ATOM 0 HB3 LYS D 21 10.027 -6.068 14.579 1.00 10.00 H new ATOM 0 HG2 LYS D 21 12.244 -6.640 13.668 1.00 10.00 H new ATOM 0 HG3 LYS D 21 11.732 -6.203 12.050 1.00 10.00 H new ATOM 0 HD2 LYS D 21 12.012 -4.319 14.432 1.00 10.00 H new ATOM 0 HD3 LYS D 21 13.074 -4.395 13.040 1.00 10.00 H new ATOM 0 HE2 LYS D 21 10.191 -3.422 13.105 1.00 10.00 H new ATOM 0 HE3 LYS D 21 11.628 -2.471 12.784 1.00 10.00 H new ATOM 0 HZ1 LYS D 21 10.381 -3.037 10.782 1.00 10.00 H new ATOM 0 HZ2 LYS D 21 11.965 -3.648 10.740 1.00 10.00 H new ATOM 0 HZ3 LYS D 21 10.662 -4.688 11.065 1.00 10.00 H new ATOM 1563 N ASN D 22 9.410 -8.866 15.203 1.00 10.00 N ATOM 1564 CA ASN D 22 9.655 -9.938 16.169 1.00 10.00 C ATOM 1565 C ASN D 22 9.488 -11.359 15.593 1.00 10.00 C ATOM 1566 O ASN D 22 9.941 -12.308 16.227 1.00 10.00 O ATOM 1567 CB ASN D 22 8.802 -9.732 17.431 1.00 10.00 C ATOM 1568 CG ASN D 22 9.408 -8.699 18.375 1.00 10.00 C ATOM 1569 OD1 ASN D 22 9.973 -9.041 19.405 1.00 10.00 O ATOM 1570 ND2 ASN D 22 9.301 -7.418 18.059 1.00 10.00 N ATOM 0 H ASN D 22 8.635 -8.254 15.460 1.00 10.00 H new ATOM 0 HA ASN D 22 10.709 -9.868 16.438 1.00 10.00 H new ATOM 0 HB2 ASN D 22 7.800 -9.414 17.142 1.00 10.00 H new ATOM 0 HB3 ASN D 22 8.696 -10.682 17.955 1.00 10.00 H new ATOM 0 HD21 ASN D 22 9.691 -6.706 18.676 1.00 10.00 H new ATOM 0 HD22 ASN D 22 8.828 -7.143 17.198 1.00 10.00 H new