USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 468 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: B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 21 GLN : amide:sc= -0.782 K(o=-0.78,f=-0.076) USER MOD Set 2.1: B 14 ASN : amide:sc= -3.33! K(o=-8.4!,f=-9.6) USER MOD Set 2.2: B 17 THR OG1 : rot -153:sc= -5.03! USER MOD Set 3.1: A 14 ASN : amide:sc= -1.08 K(o=-3.4,f=-4.8) USER MOD Set 3.2: A 17 THR OG1 : rot -140:sc= -2.36 USER MOD Set 4.1: A 12 TYR OH : rot 15:sc= -0.976 USER MOD Set 4.2: B 8 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.0223) USER MOD Set 5.1: A 10 CYS SG : rot -73:sc= -8.82! USER MOD Set 5.2: B 10 CYS SG : rot 111:sc= -13.6! USER MOD Single : A 1 LYS N :NH3+ -116:sc= 0.0526 (180deg=-0.294) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -7.35! C(o=-7.4!,f=-6.7!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : B 1 LYS N :NH3+ 137:sc= -0.121 (180deg=-0.844) USER MOD Single : B 1 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00182) USER MOD Single : B 12 TYR OH : rot 180:sc= -0.525 USER MOD Single : B 26 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 5.446 4.415 -16.983 1.00 0.00 N ATOM 2 CA LYS A 1 5.148 3.490 -15.853 1.00 0.00 C ATOM 3 C LYS A 1 6.302 3.434 -14.851 1.00 0.00 C ATOM 4 O LYS A 1 7.375 3.991 -15.094 1.00 0.00 O ATOM 5 CB LYS A 1 4.866 2.092 -16.418 1.00 0.00 C ATOM 6 CG LYS A 1 6.057 1.455 -17.119 1.00 0.00 C ATOM 7 CD LYS A 1 5.654 0.852 -18.455 1.00 0.00 C ATOM 8 CE LYS A 1 6.838 0.716 -19.393 1.00 0.00 C ATOM 9 NZ LYS A 1 7.863 -0.234 -18.875 1.00 0.00 N ATOM 0 H1 LYS A 1 4.773 5.208 -16.969 1.00 0.00 H new ATOM 0 H2 LYS A 1 6.415 4.781 -16.886 1.00 0.00 H new ATOM 0 H3 LYS A 1 5.358 3.902 -17.884 1.00 0.00 H new ATOM 0 HA LYS A 1 4.274 3.861 -15.318 1.00 0.00 H new ATOM 0 HB2 LYS A 1 4.545 1.441 -15.605 1.00 0.00 H new ATOM 0 HB3 LYS A 1 4.036 2.156 -17.121 1.00 0.00 H new ATOM 0 HG2 LYS A 1 6.833 2.204 -17.275 1.00 0.00 H new ATOM 0 HG3 LYS A 1 6.485 0.681 -16.482 1.00 0.00 H new ATOM 0 HD2 LYS A 1 5.206 -0.128 -18.291 1.00 0.00 H new ATOM 0 HD3 LYS A 1 4.892 1.477 -18.920 1.00 0.00 H new ATOM 0 HE2 LYS A 1 6.489 0.375 -20.368 1.00 0.00 H new ATOM 0 HE3 LYS A 1 7.295 1.694 -19.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 8.653 -0.294 -19.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 8.217 0.103 -17.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 7.436 -1.175 -18.757 1.00 0.00 H new ATOM 25 N LEU A 2 6.067 2.758 -13.724 1.00 0.00 N ATOM 26 CA LEU A 2 7.063 2.614 -12.674 1.00 0.00 C ATOM 27 C LEU A 2 8.429 2.170 -13.170 1.00 0.00 C ATOM 28 O LEU A 2 8.557 1.419 -14.140 1.00 0.00 O ATOM 29 CB LEU A 2 6.613 1.561 -11.703 1.00 0.00 C ATOM 30 CG LEU A 2 5.575 1.971 -10.682 1.00 0.00 C ATOM 31 CD1 LEU A 2 5.209 0.755 -9.882 1.00 0.00 C ATOM 32 CD2 LEU A 2 6.102 3.045 -9.762 1.00 0.00 C ATOM 0 H LEU A 2 5.180 2.298 -13.519 1.00 0.00 H new ATOM 0 HA LEU A 2 7.158 3.605 -12.229 1.00 0.00 H new ATOM 0 HB2 LEU A 2 6.215 0.722 -12.273 1.00 0.00 H new ATOM 0 HB3 LEU A 2 7.490 1.196 -11.168 1.00 0.00 H new ATOM 0 HG LEU A 2 4.704 2.378 -11.196 1.00 0.00 H new ATOM 0 HD11 LEU A 2 4.460 1.022 -9.136 1.00 0.00 H new ATOM 0 HD12 LEU A 2 4.804 -0.009 -10.546 1.00 0.00 H new ATOM 0 HD13 LEU A 2 6.097 0.367 -9.382 1.00 0.00 H new ATOM 0 HD21 LEU A 2 5.331 3.317 -9.041 1.00 0.00 H new ATOM 0 HD22 LEU A 2 6.979 2.673 -9.233 1.00 0.00 H new ATOM 0 HD23 LEU A 2 6.377 3.923 -10.347 1.00 0.00 H new ATOM 44 N PRO A 3 9.461 2.579 -12.424 1.00 0.00 N ATOM 45 CA PRO A 3 10.850 2.196 -12.661 1.00 0.00 C ATOM 46 C PRO A 3 11.048 0.737 -12.348 1.00 0.00 C ATOM 47 O PRO A 3 10.251 0.129 -11.633 1.00 0.00 O ATOM 48 CB PRO A 3 11.656 3.034 -11.687 1.00 0.00 C ATOM 49 CG PRO A 3 10.693 4.035 -11.175 1.00 0.00 C ATOM 50 CD PRO A 3 9.340 3.401 -11.231 1.00 0.00 C ATOM 0 HA PRO A 3 11.145 2.354 -13.698 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.062 2.424 -10.880 1.00 0.00 H new ATOM 0 HB3 PRO A 3 12.502 3.513 -12.181 1.00 0.00 H new ATOM 0 HG2 PRO A 3 10.942 4.324 -10.154 1.00 0.00 H new ATOM 0 HG3 PRO A 3 10.720 4.942 -11.779 1.00 0.00 H new ATOM 0 HD2 PRO A 3 9.127 2.807 -10.342 1.00 0.00 H new ATOM 0 HD3 PRO A 3 8.543 4.139 -11.319 1.00 0.00 H new ATOM 58 N PRO A 4 12.106 0.151 -12.878 1.00 0.00 N ATOM 59 CA PRO A 4 12.428 -1.241 -12.670 1.00 0.00 C ATOM 60 C PRO A 4 12.368 -1.677 -11.239 1.00 0.00 C ATOM 61 O PRO A 4 12.716 -0.940 -10.315 1.00 0.00 O ATOM 62 CB PRO A 4 13.796 -1.319 -13.231 1.00 0.00 C ATOM 63 CG PRO A 4 13.710 -0.392 -14.349 1.00 0.00 C ATOM 64 CD PRO A 4 13.098 0.777 -13.746 1.00 0.00 C ATOM 0 HA PRO A 4 11.711 -1.914 -13.140 1.00 0.00 H new ATOM 0 HB2 PRO A 4 14.553 -1.018 -12.507 1.00 0.00 H new ATOM 0 HB3 PRO A 4 14.049 -2.329 -13.555 1.00 0.00 H new ATOM 0 HG2 PRO A 4 14.692 -0.166 -14.765 1.00 0.00 H new ATOM 0 HG3 PRO A 4 13.104 -0.793 -15.162 1.00 0.00 H new ATOM 0 HD2 PRO A 4 13.816 1.377 -13.187 1.00 0.00 H new ATOM 0 HD3 PRO A 4 12.643 1.434 -14.487 1.00 0.00 H new ATOM 72 N GLY A 5 11.911 -2.899 -11.088 1.00 0.00 N ATOM 73 CA GLY A 5 11.771 -3.493 -9.791 1.00 0.00 C ATOM 74 C GLY A 5 10.678 -2.874 -8.915 1.00 0.00 C ATOM 75 O GLY A 5 10.391 -3.406 -7.845 1.00 0.00 O ATOM 0 H GLY A 5 11.629 -3.502 -11.861 1.00 0.00 H new ATOM 0 HA2 GLY A 5 11.560 -4.555 -9.914 1.00 0.00 H new ATOM 0 HA3 GLY A 5 12.724 -3.416 -9.267 1.00 0.00 H new ATOM 79 N TRP A 6 10.068 -1.751 -9.336 1.00 0.00 N ATOM 80 CA TRP A 6 9.037 -1.105 -8.530 1.00 0.00 C ATOM 81 C TRP A 6 7.659 -1.678 -8.777 1.00 0.00 C ATOM 82 O TRP A 6 7.294 -1.999 -9.910 1.00 0.00 O ATOM 83 CB TRP A 6 8.953 0.381 -8.843 1.00 0.00 C ATOM 84 CG TRP A 6 9.860 1.256 -8.088 1.00 0.00 C ATOM 85 CD1 TRP A 6 10.713 2.108 -8.642 1.00 0.00 C ATOM 86 CD2 TRP A 6 9.983 1.420 -6.695 1.00 0.00 C ATOM 87 NE1 TRP A 6 11.436 2.754 -7.701 1.00 0.00 N ATOM 88 CE2 TRP A 6 10.995 2.358 -6.481 1.00 0.00 C ATOM 89 CE3 TRP A 6 9.362 0.864 -5.613 1.00 0.00 C ATOM 90 CZ2 TRP A 6 11.380 2.740 -5.221 1.00 0.00 C ATOM 91 CZ3 TRP A 6 9.741 1.246 -4.369 1.00 0.00 C ATOM 92 CH2 TRP A 6 10.729 2.161 -4.176 1.00 0.00 C ATOM 0 H TRP A 6 10.273 -1.283 -10.219 1.00 0.00 H new ATOM 0 HA TRP A 6 9.329 -1.280 -7.494 1.00 0.00 H new ATOM 0 HB2 TRP A 6 9.150 0.519 -9.906 1.00 0.00 H new ATOM 0 HB3 TRP A 6 7.930 0.711 -8.663 1.00 0.00 H new ATOM 0 HD1 TRP A 6 10.816 2.265 -9.706 1.00 0.00 H new ATOM 0 HE1 TRP A 6 12.184 3.424 -7.878 1.00 0.00 H new ATOM 0 HE3 TRP A 6 8.580 0.131 -5.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 12.164 3.467 -5.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 9.247 0.814 -3.511 1.00 0.00 H new ATOM 0 HH2 TRP A 6 11.003 2.435 -3.168 1.00 0.00 H new ATOM 103 N GLU A 7 6.880 -1.740 -7.711 1.00 0.00 N ATOM 104 CA GLU A 7 5.507 -2.203 -7.794 1.00 0.00 C ATOM 105 C GLU A 7 4.662 -1.488 -6.749 1.00 0.00 C ATOM 106 O GLU A 7 4.979 -1.510 -5.558 1.00 0.00 O ATOM 107 CB GLU A 7 5.400 -3.727 -7.612 1.00 0.00 C ATOM 108 CG GLU A 7 6.613 -4.516 -8.097 1.00 0.00 C ATOM 109 CD GLU A 7 7.089 -5.537 -7.080 1.00 0.00 C ATOM 110 OE1 GLU A 7 6.608 -6.689 -7.125 1.00 0.00 O ATOM 111 OE2 GLU A 7 7.943 -5.184 -6.238 1.00 0.00 O ATOM 0 H GLU A 7 7.178 -1.474 -6.773 1.00 0.00 H new ATOM 0 HA GLU A 7 5.135 -1.969 -8.792 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.243 -3.942 -6.555 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.517 -4.081 -8.144 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.362 -5.025 -9.028 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.426 -3.825 -8.321 1.00 0.00 H new ATOM 118 N LYS A 8 3.590 -0.846 -7.205 1.00 0.00 N ATOM 119 CA LYS A 8 2.704 -0.115 -6.311 1.00 0.00 C ATOM 120 C LYS A 8 1.797 -1.097 -5.563 1.00 0.00 C ATOM 121 O LYS A 8 1.129 -1.925 -6.186 1.00 0.00 O ATOM 122 CB LYS A 8 1.825 0.887 -7.111 1.00 0.00 C ATOM 123 CG LYS A 8 1.073 1.878 -6.225 1.00 0.00 C ATOM 124 CD LYS A 8 0.003 2.623 -7.008 1.00 0.00 C ATOM 125 CE LYS A 8 -0.487 3.852 -6.258 1.00 0.00 C ATOM 126 NZ LYS A 8 -1.833 4.290 -6.723 1.00 0.00 N ATOM 0 H LYS A 8 3.316 -0.818 -8.187 1.00 0.00 H new ATOM 0 HA LYS A 8 3.314 0.440 -5.599 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.458 1.440 -7.805 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.106 0.329 -7.711 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.613 1.347 -5.392 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.777 2.592 -5.797 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.403 2.923 -7.977 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.837 1.956 -7.202 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.525 3.634 -5.191 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.225 4.666 -6.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.129 5.130 -6.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.792 4.523 -7.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.519 3.523 -6.572 1.00 0.00 H new ATOM 140 N ARG A 9 1.772 -1.000 -4.235 1.00 0.00 N ATOM 141 CA ARG A 9 0.938 -1.885 -3.419 1.00 0.00 C ATOM 142 C ARG A 9 0.101 -1.081 -2.426 1.00 0.00 C ATOM 143 O ARG A 9 0.617 -0.604 -1.414 1.00 0.00 O ATOM 144 CB ARG A 9 1.806 -2.906 -2.676 1.00 0.00 C ATOM 145 CG ARG A 9 1.607 -4.336 -3.157 1.00 0.00 C ATOM 146 CD ARG A 9 2.166 -5.341 -2.163 1.00 0.00 C ATOM 147 NE ARG A 9 3.534 -5.099 -1.851 1.00 0.00 N ATOM 148 CZ ARG A 9 4.540 -5.762 -2.381 1.00 0.00 C ATOM 149 NH1 ARG A 9 4.379 -6.585 -3.416 1.00 0.00 N ATOM 150 NH2 ARG A 9 5.703 -5.575 -1.851 1.00 0.00 N ATOM 0 H ARG A 9 2.316 -0.322 -3.702 1.00 0.00 H new ATOM 0 HA ARG A 9 0.261 -2.420 -4.085 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.855 -2.634 -2.794 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.582 -2.855 -1.611 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.544 -4.525 -3.309 1.00 0.00 H new ATOM 0 HG3 ARG A 9 2.095 -4.467 -4.123 1.00 0.00 H new ATOM 0 HD2 ARG A 9 1.577 -5.307 -1.247 1.00 0.00 H new ATOM 0 HD3 ARG A 9 2.063 -6.346 -2.571 1.00 0.00 H new ATOM 0 HE ARG A 9 3.748 -4.366 -1.175 1.00 0.00 H new ATOM 0 HH11 ARG A 9 3.453 -6.717 -3.823 1.00 0.00 H new ATOM 0 HH12 ARG A 9 5.182 -7.083 -3.801 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.807 -4.938 -1.061 1.00 0.00 H new ATOM 0 HH22 ARG A 9 6.517 -6.064 -2.223 1.00 0.00 H new ATOM 164 N CYS A 10 -1.192 -0.928 -2.728 1.00 0.00 N ATOM 165 CA CYS A 10 -2.097 -0.168 -1.861 1.00 0.00 C ATOM 166 C CYS A 10 -3.033 -1.086 -1.084 1.00 0.00 C ATOM 167 O CYS A 10 -4.127 -1.417 -1.548 1.00 0.00 O ATOM 168 CB CYS A 10 -2.908 0.849 -2.675 1.00 0.00 C ATOM 169 SG CYS A 10 -2.052 1.463 -4.164 1.00 0.00 S ATOM 0 H CYS A 10 -1.633 -1.318 -3.561 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.480 0.370 -1.142 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -3.850 0.390 -2.974 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.155 1.696 -2.035 1.00 0.00 H new ATOM 0 HG CYS A 10 -1.098 2.274 -3.813 1.00 0.00 H new ATOM 174 N PHE A 11 -2.601 -1.476 0.115 1.00 0.00 N ATOM 175 CA PHE A 11 -3.406 -2.335 0.972 1.00 0.00 C ATOM 176 C PHE A 11 -4.046 -1.517 2.093 1.00 0.00 C ATOM 177 O PHE A 11 -3.387 -0.687 2.722 1.00 0.00 O ATOM 178 CB PHE A 11 -2.557 -3.467 1.586 1.00 0.00 C ATOM 179 CG PHE A 11 -1.575 -2.999 2.623 1.00 0.00 C ATOM 180 CD1 PHE A 11 -1.989 -2.789 3.929 1.00 0.00 C ATOM 181 CD2 PHE A 11 -0.249 -2.772 2.298 1.00 0.00 C ATOM 182 CE1 PHE A 11 -1.096 -2.362 4.892 1.00 0.00 C ATOM 183 CE2 PHE A 11 0.648 -2.346 3.258 1.00 0.00 C ATOM 184 CZ PHE A 11 0.224 -2.142 4.556 1.00 0.00 C ATOM 0 H PHE A 11 -1.700 -1.210 0.511 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.185 -2.781 0.354 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -3.223 -4.203 2.036 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.014 -3.974 0.788 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.021 -2.961 4.196 1.00 0.00 H new ATOM 0 HD2 PHE A 11 0.088 -2.929 1.284 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.430 -2.201 5.906 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.681 -2.173 2.993 1.00 0.00 H new ATOM 0 HZ PHE A 11 0.925 -1.810 5.308 1.00 0.00 H new ATOM 194 N TYR A 12 -5.312 -1.787 2.369 1.00 0.00 N ATOM 195 CA TYR A 12 -6.015 -1.123 3.452 1.00 0.00 C ATOM 196 C TYR A 12 -5.549 -1.744 4.753 1.00 0.00 C ATOM 197 O TYR A 12 -5.359 -2.959 4.810 1.00 0.00 O ATOM 198 CB TYR A 12 -7.531 -1.305 3.323 1.00 0.00 C ATOM 199 CG TYR A 12 -8.189 -0.142 2.615 1.00 0.00 C ATOM 200 CD1 TYR A 12 -8.557 0.986 3.309 1.00 0.00 C ATOM 201 CD2 TYR A 12 -8.454 -0.173 1.254 1.00 0.00 C ATOM 202 CE1 TYR A 12 -9.175 2.032 2.701 1.00 0.00 C ATOM 203 CE2 TYR A 12 -9.067 0.872 0.622 1.00 0.00 C ATOM 204 CZ TYR A 12 -9.439 1.983 1.350 1.00 0.00 C ATOM 205 OH TYR A 12 -10.055 3.044 0.731 1.00 0.00 O ATOM 0 H TYR A 12 -5.875 -2.465 1.855 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.801 -0.055 3.421 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.739 -2.225 2.777 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -7.967 -1.418 4.316 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -8.349 1.042 4.367 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -8.169 -1.043 0.681 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -9.459 2.901 3.276 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -9.259 0.828 -0.440 1.00 0.00 H new ATOM 0 HH TYR A 12 -10.023 3.829 1.317 1.00 0.00 H new ATOM 215 N PHE A 13 -5.375 -0.949 5.795 1.00 0.00 N ATOM 216 CA PHE A 13 -4.959 -1.506 7.078 1.00 0.00 C ATOM 217 C PHE A 13 -5.960 -1.141 8.134 1.00 0.00 C ATOM 218 O PHE A 13 -6.174 0.035 8.429 1.00 0.00 O ATOM 219 CB PHE A 13 -3.577 -1.038 7.499 1.00 0.00 C ATOM 220 CG PHE A 13 -2.982 -1.914 8.565 1.00 0.00 C ATOM 221 CD1 PHE A 13 -2.399 -3.113 8.223 1.00 0.00 C ATOM 222 CD2 PHE A 13 -2.998 -1.541 9.902 1.00 0.00 C ATOM 223 CE1 PHE A 13 -1.833 -3.923 9.177 1.00 0.00 C ATOM 224 CE2 PHE A 13 -2.439 -2.343 10.869 1.00 0.00 C ATOM 225 CZ PHE A 13 -1.847 -3.539 10.507 1.00 0.00 C ATOM 0 H PHE A 13 -5.511 0.062 5.784 1.00 0.00 H new ATOM 0 HA PHE A 13 -4.910 -2.588 6.960 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -2.919 -1.027 6.630 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -3.638 -0.013 7.865 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.386 -3.422 7.188 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.457 -0.606 10.187 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.377 -4.859 8.890 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.462 -2.040 11.905 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.397 -4.171 11.259 1.00 0.00 H new ATOM 235 N ASN A 14 -6.568 -2.161 8.704 1.00 0.00 N ATOM 236 CA ASN A 14 -7.551 -1.958 9.728 1.00 0.00 C ATOM 237 C ASN A 14 -6.859 -2.024 11.068 1.00 0.00 C ATOM 238 O ASN A 14 -6.977 -3.014 11.770 1.00 0.00 O ATOM 239 CB ASN A 14 -8.673 -2.999 9.634 1.00 0.00 C ATOM 240 CG ASN A 14 -9.933 -2.576 10.368 1.00 0.00 C ATOM 241 OD1 ASN A 14 -9.986 -1.504 10.970 1.00 0.00 O ATOM 242 ND2 ASN A 14 -10.957 -3.422 10.326 1.00 0.00 N ATOM 0 H ASN A 14 -6.393 -3.138 8.469 1.00 0.00 H new ATOM 0 HA ASN A 14 -8.017 -0.981 9.601 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -8.911 -3.176 8.585 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.320 -3.945 10.044 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -11.828 -3.192 10.804 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -10.872 -4.301 9.815 1.00 0.00 H new ATOM 249 N ARG A 15 -6.089 -0.982 11.380 1.00 0.00 N ATOM 250 CA ARG A 15 -5.303 -0.928 12.614 1.00 0.00 C ATOM 251 C ARG A 15 -6.055 -1.448 13.845 1.00 0.00 C ATOM 252 O ARG A 15 -5.407 -1.889 14.798 1.00 0.00 O ATOM 253 CB ARG A 15 -4.719 0.474 12.850 1.00 0.00 C ATOM 254 CG ARG A 15 -4.801 0.955 14.290 1.00 0.00 C ATOM 255 CD ARG A 15 -4.033 2.256 14.488 1.00 0.00 C ATOM 256 NE ARG A 15 -2.603 2.097 14.220 1.00 0.00 N ATOM 257 CZ ARG A 15 -1.741 1.508 15.055 1.00 0.00 C ATOM 258 NH1 ARG A 15 -2.154 1.019 16.222 1.00 0.00 N ATOM 259 NH2 ARG A 15 -0.459 1.408 14.719 1.00 0.00 N ATOM 0 H ARG A 15 -5.992 -0.156 10.789 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.471 -1.617 12.468 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.675 0.476 12.538 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.244 1.185 12.212 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.845 1.102 14.567 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.400 0.189 14.954 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.442 3.022 13.829 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.173 2.607 15.510 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.240 2.459 13.338 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.136 1.092 16.486 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.488 0.571 16.852 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.135 1.780 13.826 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.201 0.959 15.354 1.00 0.00 H new ATOM 273 N ILE A 16 -7.399 -1.474 13.834 1.00 0.00 N ATOM 274 CA ILE A 16 -8.120 -2.013 14.924 1.00 0.00 C ATOM 275 C ILE A 16 -7.812 -3.481 15.023 1.00 0.00 C ATOM 276 O ILE A 16 -7.449 -4.014 16.072 1.00 0.00 O ATOM 277 CB ILE A 16 -9.589 -1.859 14.690 1.00 0.00 C ATOM 278 CG1 ILE A 16 -10.023 -0.414 14.894 1.00 0.00 C ATOM 279 CG2 ILE A 16 -10.270 -2.795 15.632 1.00 0.00 C ATOM 280 CD1 ILE A 16 -8.937 0.583 15.261 1.00 0.00 C ATOM 0 H ILE A 16 -7.976 -1.122 13.070 1.00 0.00 H new ATOM 0 HA ILE A 16 -7.836 -1.491 15.838 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.858 -2.103 13.662 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -10.503 -0.071 13.977 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -10.781 -0.394 15.677 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.350 -2.721 15.501 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -9.948 -3.816 15.426 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -10.010 -2.532 16.657 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.377 1.574 15.378 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -8.468 0.282 16.198 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.186 0.610 14.471 1.00 0.00 H new ATOM 292 N THR A 17 -7.964 -4.102 13.874 1.00 0.00 N ATOM 293 CA THR A 17 -7.724 -5.496 13.697 1.00 0.00 C ATOM 294 C THR A 17 -6.400 -5.703 13.008 1.00 0.00 C ATOM 295 O THR A 17 -6.136 -6.768 12.444 1.00 0.00 O ATOM 296 CB THR A 17 -8.895 -6.054 12.922 1.00 0.00 C ATOM 297 OG1 THR A 17 -8.815 -5.711 11.552 1.00 0.00 O ATOM 298 CG2 THR A 17 -10.169 -5.506 13.499 1.00 0.00 C ATOM 0 H THR A 17 -8.266 -3.629 13.022 1.00 0.00 H new ATOM 0 HA THR A 17 -7.651 -6.025 14.647 1.00 0.00 H new ATOM 0 HB THR A 17 -8.876 -7.141 13.002 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.708 -5.484 11.219 1.00 0.00 H new ATOM 0 HG21 THR A 17 -11.020 -5.904 12.946 1.00 0.00 H new ATOM 0 HG22 THR A 17 -10.249 -5.798 14.546 1.00 0.00 H new ATOM 0 HG23 THR A 17 -10.164 -4.419 13.425 1.00 0.00 H new ATOM 306 N GLY A 18 -5.610 -4.612 13.014 1.00 0.00 N ATOM 307 CA GLY A 18 -4.334 -4.550 12.315 1.00 0.00 C ATOM 308 C GLY A 18 -4.370 -5.351 11.028 1.00 0.00 C ATOM 309 O GLY A 18 -3.359 -5.882 10.568 1.00 0.00 O ATOM 0 H GLY A 18 -5.849 -3.752 13.508 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.089 -3.511 12.092 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.544 -4.932 12.962 1.00 0.00 H new ATOM 313 N LYS A 19 -5.579 -5.453 10.483 1.00 0.00 N ATOM 314 CA LYS A 19 -5.850 -6.192 9.273 1.00 0.00 C ATOM 315 C LYS A 19 -5.330 -5.511 8.037 1.00 0.00 C ATOM 316 O LYS A 19 -5.124 -4.303 8.014 1.00 0.00 O ATOM 317 CB LYS A 19 -7.335 -6.357 9.108 1.00 0.00 C ATOM 318 CG LYS A 19 -7.850 -7.650 9.658 1.00 0.00 C ATOM 319 CD LYS A 19 -9.330 -7.840 9.369 1.00 0.00 C ATOM 320 CE LYS A 19 -9.559 -8.424 7.984 1.00 0.00 C ATOM 321 NZ LYS A 19 -10.464 -9.607 8.017 1.00 0.00 N ATOM 0 H LYS A 19 -6.407 -5.013 10.884 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.341 -7.150 9.378 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.843 -5.530 9.605 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.585 -6.295 8.049 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.287 -8.478 9.227 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.684 -7.678 10.735 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.766 -8.499 10.119 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.843 -6.882 9.450 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.986 -7.660 7.335 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.602 -8.712 7.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.592 -9.973 7.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.046 -10.348 8.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.387 -9.327 8.407 1.00 0.00 H new ATOM 335 N ARG A 20 -5.166 -6.305 6.996 1.00 0.00 N ATOM 336 CA ARG A 20 -4.725 -5.796 5.721 1.00 0.00 C ATOM 337 C ARG A 20 -5.425 -6.457 4.565 1.00 0.00 C ATOM 338 O ARG A 20 -5.584 -7.679 4.513 1.00 0.00 O ATOM 339 CB ARG A 20 -3.239 -5.945 5.542 1.00 0.00 C ATOM 340 CG ARG A 20 -2.773 -7.377 5.318 1.00 0.00 C ATOM 341 CD ARG A 20 -1.265 -7.502 5.481 1.00 0.00 C ATOM 342 NE ARG A 20 -0.828 -7.158 6.836 1.00 0.00 N ATOM 343 CZ ARG A 20 0.354 -6.607 7.128 1.00 0.00 C ATOM 344 NH1 ARG A 20 1.235 -6.338 6.166 1.00 0.00 N ATOM 345 NH2 ARG A 20 0.656 -6.325 8.391 1.00 0.00 N ATOM 0 H ARG A 20 -5.334 -7.311 7.014 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.983 -4.737 5.725 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.925 -5.337 4.694 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.737 -5.546 6.424 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.273 -8.039 6.025 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.061 -7.703 4.318 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.959 -8.522 5.250 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.768 -6.850 4.763 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.467 -7.352 7.607 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.011 -6.553 5.194 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.134 -5.917 6.401 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.013 -6.529 9.133 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.557 -5.904 8.618 1.00 0.00 H new ATOM 359 N GLN A 21 -5.829 -5.622 3.635 1.00 0.00 N ATOM 360 CA GLN A 21 -6.507 -6.070 2.448 1.00 0.00 C ATOM 361 C GLN A 21 -6.312 -5.053 1.350 1.00 0.00 C ATOM 362 O GLN A 21 -6.338 -3.861 1.619 1.00 0.00 O ATOM 363 CB GLN A 21 -7.984 -6.221 2.710 1.00 0.00 C ATOM 364 CG GLN A 21 -8.399 -5.799 4.089 1.00 0.00 C ATOM 365 CD GLN A 21 -9.800 -6.214 4.439 1.00 0.00 C ATOM 366 OE1 GLN A 21 -10.008 -7.100 5.265 1.00 0.00 O ATOM 367 NE2 GLN A 21 -10.772 -5.587 3.815 1.00 0.00 N ATOM 0 H GLN A 21 -5.695 -4.612 3.684 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.094 -7.034 2.152 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -8.536 -5.631 1.978 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -8.266 -7.263 2.558 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.708 -6.226 4.816 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -8.317 -4.715 4.170 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -10.555 -4.857 3.136 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -11.743 -5.830 4.010 1.00 0.00 H new ATOM 376 N PHE A 22 -6.177 -5.490 0.113 1.00 0.00 N ATOM 377 CA PHE A 22 -6.042 -4.541 -0.994 1.00 0.00 C ATOM 378 C PHE A 22 -7.439 -4.019 -1.377 1.00 0.00 C ATOM 379 O PHE A 22 -7.790 -3.928 -2.555 1.00 0.00 O ATOM 380 CB PHE A 22 -5.402 -5.224 -2.196 1.00 0.00 C ATOM 381 CG PHE A 22 -3.937 -5.518 -2.020 1.00 0.00 C ATOM 382 CD1 PHE A 22 -3.009 -4.492 -1.969 1.00 0.00 C ATOM 383 CD2 PHE A 22 -3.487 -6.823 -1.902 1.00 0.00 C ATOM 384 CE1 PHE A 22 -1.673 -4.759 -1.805 1.00 0.00 C ATOM 385 CE2 PHE A 22 -2.150 -7.093 -1.738 1.00 0.00 C ATOM 386 CZ PHE A 22 -1.246 -6.060 -1.690 1.00 0.00 C ATOM 0 H PHE A 22 -6.157 -6.474 -0.156 1.00 0.00 H new ATOM 0 HA PHE A 22 -5.407 -3.711 -0.685 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.929 -6.157 -2.395 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.533 -4.591 -3.074 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.341 -3.468 -2.059 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.195 -7.637 -1.939 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.959 -3.949 -1.766 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.811 -8.114 -1.647 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.195 -6.271 -1.561 1.00 0.00 H new ATOM 396 N GLU A 23 -8.245 -3.755 -0.349 1.00 0.00 N ATOM 397 CA GLU A 23 -9.624 -3.332 -0.494 1.00 0.00 C ATOM 398 C GLU A 23 -10.065 -2.376 0.560 1.00 0.00 C ATOM 399 O GLU A 23 -9.599 -2.434 1.689 1.00 0.00 O ATOM 400 CB GLU A 23 -10.509 -4.559 -0.310 1.00 0.00 C ATOM 401 CG GLU A 23 -11.612 -4.372 0.736 1.00 0.00 C ATOM 402 CD GLU A 23 -12.426 -5.630 0.981 1.00 0.00 C ATOM 403 OE1 GLU A 23 -11.821 -6.693 1.239 1.00 0.00 O ATOM 404 OE2 GLU A 23 -13.671 -5.550 0.919 1.00 0.00 O ATOM 0 H GLU A 23 -7.945 -3.833 0.623 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.702 -2.853 -1.470 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.967 -4.812 -1.266 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.886 -5.405 -0.021 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.162 -4.050 1.675 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.279 -3.573 0.412 1.00 0.00 H new ATOM 411 N ARG A 24 -11.098 -1.629 0.197 1.00 0.00 N ATOM 412 CA ARG A 24 -11.787 -0.781 1.114 1.00 0.00 C ATOM 413 C ARG A 24 -12.969 -1.630 1.582 1.00 0.00 C ATOM 414 O ARG A 24 -13.931 -1.875 0.849 1.00 0.00 O ATOM 415 CB ARG A 24 -12.185 0.517 0.460 1.00 0.00 C ATOM 416 CG ARG A 24 -12.902 1.425 1.411 1.00 0.00 C ATOM 417 CD ARG A 24 -13.753 2.442 0.671 1.00 0.00 C ATOM 418 NE ARG A 24 -13.194 3.791 0.702 1.00 0.00 N ATOM 419 CZ ARG A 24 -12.387 4.296 -0.235 1.00 0.00 C ATOM 420 NH1 ARG A 24 -12.011 3.559 -1.279 1.00 0.00 N ATOM 421 NH2 ARG A 24 -11.953 5.548 -0.127 1.00 0.00 N ATOM 0 H ARG A 24 -11.471 -1.606 -0.752 1.00 0.00 H new ATOM 0 HA ARG A 24 -11.178 -0.464 1.961 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.296 1.019 0.079 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.826 0.310 -0.397 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -13.533 0.834 2.075 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -12.177 1.943 2.039 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -13.866 2.126 -0.366 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -14.751 2.459 1.109 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.436 4.388 1.493 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.340 2.598 -1.369 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.394 3.956 -1.988 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.236 6.119 0.669 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.337 5.937 -0.840 1.00 0.00 H new ATOM 435 N PRO A 25 -12.818 -2.161 2.794 1.00 0.00 N ATOM 436 CA PRO A 25 -13.750 -3.095 3.435 1.00 0.00 C ATOM 437 C PRO A 25 -15.203 -2.683 3.392 1.00 0.00 C ATOM 438 O PRO A 25 -15.548 -1.502 3.319 1.00 0.00 O ATOM 439 CB PRO A 25 -13.220 -3.248 4.838 1.00 0.00 C ATOM 440 CG PRO A 25 -11.800 -2.810 4.766 1.00 0.00 C ATOM 441 CD PRO A 25 -11.651 -1.898 3.611 1.00 0.00 C ATOM 0 HA PRO A 25 -13.779 -4.039 2.891 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -13.786 -2.637 5.542 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -13.297 -4.281 5.178 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -11.512 -2.305 5.688 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -11.142 -3.672 4.656 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -11.615 -0.856 3.929 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.729 -2.096 3.064 1.00 0.00 H new ATOM 449 N SER A 26 -16.031 -3.723 3.404 1.00 0.00 N ATOM 450 CA SER A 26 -17.487 -3.635 3.340 1.00 0.00 C ATOM 451 C SER A 26 -18.029 -2.402 3.967 1.00 0.00 C ATOM 452 O SER A 26 -18.919 -1.741 3.427 1.00 0.00 O ATOM 453 CB SER A 26 -18.090 -4.831 4.021 1.00 0.00 C ATOM 454 OG SER A 26 -19.507 -4.760 4.054 1.00 0.00 O ATOM 0 H SER A 26 -15.695 -4.684 3.461 1.00 0.00 H new ATOM 0 HA SER A 26 -17.753 -3.605 2.283 1.00 0.00 H new ATOM 0 HB2 SER A 26 -17.784 -5.738 3.501 1.00 0.00 H new ATOM 0 HB3 SER A 26 -17.706 -4.902 5.039 1.00 0.00 H new ATOM 0 HG SER A 26 -19.864 -5.555 4.503 1.00 0.00 H new ATOM 460 N ASP A 27 -17.453 -2.100 5.091 1.00 0.00 N ATOM 461 CA ASP A 27 -17.806 -0.924 5.838 1.00 0.00 C ATOM 462 C ASP A 27 -19.187 -1.024 6.504 1.00 0.00 C ATOM 463 O ASP A 27 -20.110 -1.608 5.896 1.00 0.00 O ATOM 464 CB ASP A 27 -17.706 0.228 4.878 1.00 0.00 C ATOM 465 CG ASP A 27 -18.903 1.164 4.886 1.00 0.00 C ATOM 466 OD1 ASP A 27 -18.923 2.094 5.719 1.00 0.00 O ATOM 467 OD2 ASP A 27 -19.818 0.966 4.059 1.00 0.00 O ATOM 468 OXT ASP A 27 -19.328 -0.513 7.634 1.00 0.00 O ATOM 0 H ASP A 27 -16.720 -2.664 5.521 1.00 0.00 H new ATOM 0 HA ASP A 27 -17.126 -0.789 6.679 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -16.810 0.803 5.113 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -17.576 -0.166 3.870 1.00 0.00 H new TER 473 ASP A 27 ATOM 474 N LYS B 1 -16.166 6.274 3.603 1.00 0.00 N ATOM 475 CA LYS B 1 -15.123 5.234 3.370 1.00 0.00 C ATOM 476 C LYS B 1 -15.190 4.125 4.420 1.00 0.00 C ATOM 477 O LYS B 1 -15.942 4.226 5.391 1.00 0.00 O ATOM 478 CB LYS B 1 -13.741 5.899 3.390 1.00 0.00 C ATOM 479 CG LYS B 1 -13.428 6.649 4.675 1.00 0.00 C ATOM 480 CD LYS B 1 -12.719 7.960 4.385 1.00 0.00 C ATOM 481 CE LYS B 1 -12.198 8.611 5.652 1.00 0.00 C ATOM 482 NZ LYS B 1 -10.958 7.953 6.154 1.00 0.00 N ATOM 0 H1 LYS B 1 -15.751 7.218 3.470 1.00 0.00 H new ATOM 0 H2 LYS B 1 -16.946 6.141 2.928 1.00 0.00 H new ATOM 0 H3 LYS B 1 -16.530 6.189 4.574 1.00 0.00 H new ATOM 0 HA LYS B 1 -15.302 4.774 2.398 1.00 0.00 H new ATOM 0 HB2 LYS B 1 -12.980 5.134 3.235 1.00 0.00 H new ATOM 0 HB3 LYS B 1 -13.672 6.592 2.552 1.00 0.00 H new ATOM 0 HG2 LYS B 1 -14.352 6.844 5.220 1.00 0.00 H new ATOM 0 HG3 LYS B 1 -12.804 6.029 5.318 1.00 0.00 H new ATOM 0 HD2 LYS B 1 -11.890 7.781 3.701 1.00 0.00 H new ATOM 0 HD3 LYS B 1 -13.406 8.641 3.882 1.00 0.00 H new ATOM 0 HE2 LYS B 1 -11.996 9.665 5.460 1.00 0.00 H new ATOM 0 HE3 LYS B 1 -12.967 8.569 6.423 1.00 0.00 H new ATOM 0 HZ1 LYS B 1 -10.629 8.441 7.011 1.00 0.00 H new ATOM 0 HZ2 LYS B 1 -11.160 6.958 6.378 1.00 0.00 H new ATOM 0 HZ3 LYS B 1 -10.220 8.000 5.423 1.00 0.00 H new ATOM 498 N LEU B 2 -14.407 3.061 4.200 1.00 0.00 N ATOM 499 CA LEU B 2 -14.359 1.914 5.096 1.00 0.00 C ATOM 500 C LEU B 2 -14.376 2.266 6.611 1.00 0.00 C ATOM 501 O LEU B 2 -14.164 3.402 7.041 1.00 0.00 O ATOM 502 CB LEU B 2 -13.163 1.023 4.736 1.00 0.00 C ATOM 503 CG LEU B 2 -11.850 1.487 5.285 1.00 0.00 C ATOM 504 CD1 LEU B 2 -10.712 0.862 4.569 1.00 0.00 C ATOM 505 CD2 LEU B 2 -11.748 2.940 5.130 1.00 0.00 C ATOM 0 H LEU B 2 -13.790 2.978 3.392 1.00 0.00 H new ATOM 0 HA LEU B 2 -15.288 1.367 4.939 1.00 0.00 H new ATOM 0 HB2 LEU B 2 -13.357 0.014 5.099 1.00 0.00 H new ATOM 0 HB3 LEU B 2 -13.086 0.962 3.650 1.00 0.00 H new ATOM 0 HG LEU B 2 -11.806 1.201 6.336 1.00 0.00 H new ATOM 0 HD11 LEU B 2 -9.774 1.221 4.993 1.00 0.00 H new ATOM 0 HD12 LEU B 2 -10.767 -0.222 4.674 1.00 0.00 H new ATOM 0 HD13 LEU B 2 -10.757 1.127 3.513 1.00 0.00 H new ATOM 0 HD21 LEU B 2 -10.793 3.282 5.529 1.00 0.00 H new ATOM 0 HD22 LEU B 2 -11.814 3.199 4.073 1.00 0.00 H new ATOM 0 HD23 LEU B 2 -12.561 3.422 5.673 1.00 0.00 H new ATOM 517 N PRO B 3 -14.646 1.217 7.393 1.00 0.00 N ATOM 518 CA PRO B 3 -14.751 1.186 8.869 1.00 0.00 C ATOM 519 C PRO B 3 -13.576 1.753 9.628 1.00 0.00 C ATOM 520 O PRO B 3 -12.487 1.935 9.095 1.00 0.00 O ATOM 521 CB PRO B 3 -14.825 -0.296 9.186 1.00 0.00 C ATOM 522 CG PRO B 3 -15.328 -0.926 7.950 1.00 0.00 C ATOM 523 CD PRO B 3 -14.864 -0.078 6.818 1.00 0.00 C ATOM 0 HA PRO B 3 -15.599 1.800 9.171 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -13.846 -0.690 9.460 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -15.492 -0.487 10.026 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -14.949 -1.943 7.852 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -16.416 -0.991 7.964 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -13.949 -0.474 6.377 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -15.609 -0.037 6.023 1.00 0.00 H new ATOM 531 N PRO B 4 -13.805 1.998 10.922 1.00 0.00 N ATOM 532 CA PRO B 4 -12.810 2.498 11.855 1.00 0.00 C ATOM 533 C PRO B 4 -11.584 1.654 11.902 1.00 0.00 C ATOM 534 O PRO B 4 -11.608 0.462 11.588 1.00 0.00 O ATOM 535 CB PRO B 4 -13.547 2.453 13.150 1.00 0.00 C ATOM 536 CG PRO B 4 -14.910 2.704 12.732 1.00 0.00 C ATOM 537 CD PRO B 4 -15.070 1.789 11.622 1.00 0.00 C ATOM 0 HA PRO B 4 -12.436 3.486 11.584 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -13.444 1.487 13.644 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -13.189 3.209 13.849 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -15.623 2.502 13.531 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -15.057 3.740 12.428 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -15.197 0.757 11.950 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -15.932 2.035 11.003 1.00 0.00 H new ATOM 545 N GLY B 5 -10.505 2.296 12.271 1.00 0.00 N ATOM 546 CA GLY B 5 -9.244 1.626 12.331 1.00 0.00 C ATOM 547 C GLY B 5 -8.623 1.418 10.955 1.00 0.00 C ATOM 548 O GLY B 5 -7.400 1.345 10.832 1.00 0.00 O ATOM 0 H GLY B 5 -10.481 3.281 12.533 1.00 0.00 H new ATOM 0 HA2 GLY B 5 -8.559 2.205 12.951 1.00 0.00 H new ATOM 0 HA3 GLY B 5 -9.374 0.659 12.817 1.00 0.00 H new ATOM 552 N TRP B 6 -9.466 1.329 9.914 1.00 0.00 N ATOM 553 CA TRP B 6 -9.002 1.135 8.559 1.00 0.00 C ATOM 554 C TRP B 6 -8.411 2.408 8.005 1.00 0.00 C ATOM 555 O TRP B 6 -8.961 3.493 8.201 1.00 0.00 O ATOM 556 CB TRP B 6 -10.154 0.777 7.637 1.00 0.00 C ATOM 557 CG TRP B 6 -10.509 -0.646 7.529 1.00 0.00 C ATOM 558 CD1 TRP B 6 -11.719 -1.143 7.768 1.00 0.00 C ATOM 559 CD2 TRP B 6 -9.714 -1.717 7.090 1.00 0.00 C ATOM 560 NE1 TRP B 6 -11.721 -2.500 7.629 1.00 0.00 N ATOM 561 CE2 TRP B 6 -10.486 -2.883 7.195 1.00 0.00 C ATOM 562 CE3 TRP B 6 -8.420 -1.817 6.652 1.00 0.00 C ATOM 563 CZ2 TRP B 6 -9.973 -4.134 6.867 1.00 0.00 C ATOM 564 CZ3 TRP B 6 -7.920 -3.041 6.319 1.00 0.00 C ATOM 565 CH2 TRP B 6 -8.674 -4.177 6.429 1.00 0.00 C ATOM 0 H TRP B 6 -10.480 1.391 10.002 1.00 0.00 H new ATOM 0 HA TRP B 6 -8.261 0.336 8.599 1.00 0.00 H new ATOM 0 HB2 TRP B 6 -11.037 1.321 7.972 1.00 0.00 H new ATOM 0 HB3 TRP B 6 -9.914 1.142 6.638 1.00 0.00 H new ATOM 0 HD1 TRP B 6 -12.583 -0.553 8.036 1.00 0.00 H new ATOM 0 HE1 TRP B 6 -12.509 -3.120 7.817 1.00 0.00 H new ATOM 0 HE3 TRP B 6 -7.802 -0.935 6.571 1.00 0.00 H new ATOM 0 HZ2 TRP B 6 -10.570 -5.030 6.953 1.00 0.00 H new ATOM 0 HZ3 TRP B 6 -6.904 -3.115 5.960 1.00 0.00 H new ATOM 0 HH2 TRP B 6 -8.237 -5.129 6.165 1.00 0.00 H new ATOM 576 N GLU B 7 -7.340 2.266 7.256 1.00 0.00 N ATOM 577 CA GLU B 7 -6.728 3.405 6.610 1.00 0.00 C ATOM 578 C GLU B 7 -6.050 2.971 5.336 1.00 0.00 C ATOM 579 O GLU B 7 -4.991 2.338 5.362 1.00 0.00 O ATOM 580 CB GLU B 7 -5.715 4.114 7.499 1.00 0.00 C ATOM 581 CG GLU B 7 -6.283 4.685 8.792 1.00 0.00 C ATOM 582 CD GLU B 7 -6.900 6.059 8.604 1.00 0.00 C ATOM 583 OE1 GLU B 7 -6.140 7.049 8.548 1.00 0.00 O ATOM 584 OE2 GLU B 7 -8.143 6.147 8.513 1.00 0.00 O ATOM 0 H GLU B 7 -6.876 1.375 7.080 1.00 0.00 H new ATOM 0 HA GLU B 7 -7.529 4.112 6.395 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -4.919 3.413 7.748 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -5.259 4.925 6.930 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -7.037 4.003 9.185 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -5.490 4.746 9.537 1.00 0.00 H new ATOM 591 N LYS B 8 -6.670 3.319 4.223 1.00 0.00 N ATOM 592 CA LYS B 8 -6.128 2.973 2.919 1.00 0.00 C ATOM 593 C LYS B 8 -4.666 3.441 2.846 1.00 0.00 C ATOM 594 O LYS B 8 -4.392 4.633 3.010 1.00 0.00 O ATOM 595 CB LYS B 8 -6.913 3.669 1.776 1.00 0.00 C ATOM 596 CG LYS B 8 -6.658 3.048 0.404 1.00 0.00 C ATOM 597 CD LYS B 8 -7.098 3.975 -0.718 1.00 0.00 C ATOM 598 CE LYS B 8 -6.999 3.296 -2.076 1.00 0.00 C ATOM 599 NZ LYS B 8 -8.309 2.745 -2.524 1.00 0.00 N ATOM 0 H LYS B 8 -7.547 3.839 4.194 1.00 0.00 H new ATOM 0 HA LYS B 8 -6.207 1.893 2.796 1.00 0.00 H new ATOM 0 HB2 LYS B 8 -7.980 3.622 1.996 1.00 0.00 H new ATOM 0 HB3 LYS B 8 -6.640 4.724 1.746 1.00 0.00 H new ATOM 0 HG2 LYS B 8 -5.597 2.823 0.297 1.00 0.00 H new ATOM 0 HG3 LYS B 8 -7.193 2.102 0.327 1.00 0.00 H new ATOM 0 HD2 LYS B 8 -8.125 4.295 -0.545 1.00 0.00 H new ATOM 0 HD3 LYS B 8 -6.479 4.872 -0.713 1.00 0.00 H new ATOM 0 HE2 LYS B 8 -6.636 4.012 -2.813 1.00 0.00 H new ATOM 0 HE3 LYS B 8 -6.266 2.491 -2.026 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 -8.152 2.045 -3.276 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 -8.787 2.289 -1.721 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 -8.904 3.516 -2.888 1.00 0.00 H new ATOM 613 N ARG B 9 -3.737 2.523 2.604 1.00 0.00 N ATOM 614 CA ARG B 9 -2.317 2.887 2.520 1.00 0.00 C ATOM 615 C ARG B 9 -1.629 2.169 1.363 1.00 0.00 C ATOM 616 O ARG B 9 -1.975 1.035 1.037 1.00 0.00 O ATOM 617 CB ARG B 9 -1.599 2.584 3.840 1.00 0.00 C ATOM 618 CG ARG B 9 -1.729 1.141 4.304 1.00 0.00 C ATOM 619 CD ARG B 9 -1.314 0.984 5.758 1.00 0.00 C ATOM 620 NE ARG B 9 -2.065 1.819 6.637 1.00 0.00 N ATOM 621 CZ ARG B 9 -1.585 2.905 7.207 1.00 0.00 C ATOM 622 NH1 ARG B 9 -0.434 3.455 6.828 1.00 0.00 N ATOM 623 NH2 ARG B 9 -2.291 3.425 8.155 1.00 0.00 N ATOM 0 H ARG B 9 -3.932 1.532 2.463 1.00 0.00 H new ATOM 0 HA ARG B 9 -2.261 3.959 2.333 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -0.542 2.824 3.729 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -1.995 3.240 4.615 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -2.760 0.810 4.181 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -1.111 0.499 3.677 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -1.439 -0.057 6.057 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -0.254 1.219 5.857 1.00 0.00 H new ATOM 0 HE ARG B 9 -3.031 1.560 6.836 1.00 0.00 H new ATOM 0 HH11 ARG B 9 0.108 3.035 6.073 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -0.093 4.297 7.293 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -3.174 2.994 8.428 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -1.966 4.267 8.630 1.00 0.00 H new ATOM 637 N CYS B 10 -0.661 2.843 0.735 1.00 0.00 N ATOM 638 CA CYS B 10 0.056 2.259 -0.399 1.00 0.00 C ATOM 639 C CYS B 10 1.538 2.602 -0.395 1.00 0.00 C ATOM 640 O CYS B 10 1.917 3.775 -0.422 1.00 0.00 O ATOM 641 CB CYS B 10 -0.564 2.742 -1.717 1.00 0.00 C ATOM 642 SG CYS B 10 0.189 2.025 -3.212 1.00 0.00 S ATOM 0 H CYS B 10 -0.359 3.783 0.990 1.00 0.00 H new ATOM 0 HA CYS B 10 -0.036 1.177 -0.305 1.00 0.00 H new ATOM 0 HB2 CYS B 10 -1.628 2.505 -1.712 1.00 0.00 H new ATOM 0 HB3 CYS B 10 -0.479 3.828 -1.768 1.00 0.00 H new ATOM 0 HG CYS B 10 -0.656 1.216 -3.778 1.00 0.00 H new ATOM 647 N PHE B 11 2.372 1.562 -0.412 1.00 0.00 N ATOM 648 CA PHE B 11 3.815 1.743 -0.463 1.00 0.00 C ATOM 649 C PHE B 11 4.368 1.109 -1.736 1.00 0.00 C ATOM 650 O PHE B 11 3.972 0.000 -2.108 1.00 0.00 O ATOM 651 CB PHE B 11 4.524 1.139 0.768 1.00 0.00 C ATOM 652 CG PHE B 11 4.542 -0.368 0.810 1.00 0.00 C ATOM 653 CD1 PHE B 11 5.434 -1.092 0.014 1.00 0.00 C ATOM 654 CD2 PHE B 11 3.684 -1.066 1.656 1.00 0.00 C ATOM 655 CE1 PHE B 11 5.463 -2.478 0.061 1.00 0.00 C ATOM 656 CE2 PHE B 11 3.713 -2.455 1.707 1.00 0.00 C ATOM 657 CZ PHE B 11 4.602 -3.160 0.910 1.00 0.00 C ATOM 0 H PHE B 11 2.069 0.588 -0.391 1.00 0.00 H new ATOM 0 HA PHE B 11 4.011 2.815 -0.461 1.00 0.00 H new ATOM 0 HB2 PHE B 11 5.552 1.502 0.792 1.00 0.00 H new ATOM 0 HB3 PHE B 11 4.034 1.508 1.669 1.00 0.00 H new ATOM 0 HD1 PHE B 11 6.109 -0.566 -0.645 1.00 0.00 H new ATOM 0 HD2 PHE B 11 2.989 -0.523 2.279 1.00 0.00 H new ATOM 0 HE1 PHE B 11 6.154 -3.026 -0.562 1.00 0.00 H new ATOM 0 HE2 PHE B 11 3.043 -2.985 2.368 1.00 0.00 H new ATOM 0 HZ PHE B 11 4.625 -4.239 0.950 1.00 0.00 H new ATOM 667 N TYR B 12 5.300 1.794 -2.385 1.00 0.00 N ATOM 668 CA TYR B 12 5.924 1.263 -3.582 1.00 0.00 C ATOM 669 C TYR B 12 7.055 0.349 -3.158 1.00 0.00 C ATOM 670 O TYR B 12 7.814 0.698 -2.253 1.00 0.00 O ATOM 671 CB TYR B 12 6.462 2.388 -4.474 1.00 0.00 C ATOM 672 CG TYR B 12 5.410 2.860 -5.448 1.00 0.00 C ATOM 673 CD1 TYR B 12 4.526 3.887 -5.108 1.00 0.00 C ATOM 674 CD2 TYR B 12 5.264 2.267 -6.700 1.00 0.00 C ATOM 675 CE1 TYR B 12 3.549 4.310 -5.967 1.00 0.00 C ATOM 676 CE2 TYR B 12 4.298 2.683 -7.565 1.00 0.00 C ATOM 677 CZ TYR B 12 3.430 3.707 -7.211 1.00 0.00 C ATOM 678 OH TYR B 12 2.457 4.118 -8.093 1.00 0.00 O ATOM 0 H TYR B 12 5.637 2.714 -2.102 1.00 0.00 H new ATOM 0 HA TYR B 12 5.184 0.712 -4.162 1.00 0.00 H new ATOM 0 HB2 TYR B 12 6.789 3.223 -3.854 1.00 0.00 H new ATOM 0 HB3 TYR B 12 7.337 2.036 -5.021 1.00 0.00 H new ATOM 0 HD1 TYR B 12 4.616 4.360 -4.141 1.00 0.00 H new ATOM 0 HD2 TYR B 12 5.927 1.465 -6.989 1.00 0.00 H new ATOM 0 HE1 TYR B 12 2.877 5.105 -5.680 1.00 0.00 H new ATOM 0 HE2 TYR B 12 4.207 2.213 -8.533 1.00 0.00 H new ATOM 0 HH TYR B 12 2.517 3.589 -8.916 1.00 0.00 H new ATOM 688 N PHE B 13 7.185 -0.806 -3.796 1.00 0.00 N ATOM 689 CA PHE B 13 8.271 -1.715 -3.451 1.00 0.00 C ATOM 690 C PHE B 13 9.208 -1.821 -4.610 1.00 0.00 C ATOM 691 O PHE B 13 8.819 -2.220 -5.708 1.00 0.00 O ATOM 692 CB PHE B 13 7.784 -3.100 -3.059 1.00 0.00 C ATOM 693 CG PHE B 13 8.825 -3.862 -2.288 1.00 0.00 C ATOM 694 CD1 PHE B 13 9.038 -3.567 -0.952 1.00 0.00 C ATOM 695 CD2 PHE B 13 9.594 -4.869 -2.884 1.00 0.00 C ATOM 696 CE1 PHE B 13 9.978 -4.255 -0.212 1.00 0.00 C ATOM 697 CE2 PHE B 13 10.541 -5.564 -2.155 1.00 0.00 C ATOM 698 CZ PHE B 13 10.733 -5.263 -0.810 1.00 0.00 C ATOM 0 H PHE B 13 6.567 -1.132 -4.539 1.00 0.00 H new ATOM 0 HA PHE B 13 8.778 -1.300 -2.579 1.00 0.00 H new ATOM 0 HB2 PHE B 13 6.880 -3.010 -2.457 1.00 0.00 H new ATOM 0 HB3 PHE B 13 7.516 -3.658 -3.956 1.00 0.00 H new ATOM 0 HD1 PHE B 13 8.459 -2.786 -0.482 1.00 0.00 H new ATOM 0 HD2 PHE B 13 9.445 -5.106 -3.927 1.00 0.00 H new ATOM 0 HE1 PHE B 13 10.129 -4.013 0.830 1.00 0.00 H new ATOM 0 HE2 PHE B 13 11.129 -6.337 -2.627 1.00 0.00 H new ATOM 0 HZ PHE B 13 11.464 -5.808 -0.232 1.00 0.00 H new ATOM 708 N ASN B 14 10.447 -1.458 -4.361 1.00 0.00 N ATOM 709 CA ASN B 14 11.441 -1.499 -5.386 1.00 0.00 C ATOM 710 C ASN B 14 12.200 -2.794 -5.248 1.00 0.00 C ATOM 711 O ASN B 14 13.320 -2.790 -4.775 1.00 0.00 O ATOM 712 CB ASN B 14 12.396 -0.300 -5.273 1.00 0.00 C ATOM 713 CG ASN B 14 13.164 0.004 -6.549 1.00 0.00 C ATOM 714 OD1 ASN B 14 14.308 0.450 -6.503 1.00 0.00 O ATOM 715 ND2 ASN B 14 12.540 -0.224 -7.689 1.00 0.00 N ATOM 0 H ASN B 14 10.781 -1.132 -3.454 1.00 0.00 H new ATOM 0 HA ASN B 14 10.965 -1.443 -6.365 1.00 0.00 H new ATOM 0 HB2 ASN B 14 11.822 0.582 -4.988 1.00 0.00 H new ATOM 0 HB3 ASN B 14 13.108 -0.491 -4.470 1.00 0.00 H new ATOM 0 HD21 ASN B 14 13.008 -0.029 -8.574 1.00 0.00 H new ATOM 0 HD22 ASN B 14 11.590 -0.595 -7.685 1.00 0.00 H new ATOM 722 N ARG B 15 11.557 -3.902 -5.610 1.00 0.00 N ATOM 723 CA ARG B 15 12.156 -5.231 -5.471 1.00 0.00 C ATOM 724 C ARG B 15 13.637 -5.272 -5.881 1.00 0.00 C ATOM 725 O ARG B 15 14.368 -6.144 -5.403 1.00 0.00 O ATOM 726 CB ARG B 15 11.320 -6.306 -6.183 1.00 0.00 C ATOM 727 CG ARG B 15 12.132 -7.322 -6.973 1.00 0.00 C ATOM 728 CD ARG B 15 11.369 -8.628 -7.155 1.00 0.00 C ATOM 729 NE ARG B 15 11.336 -9.420 -5.924 1.00 0.00 N ATOM 730 CZ ARG B 15 12.364 -10.143 -5.467 1.00 0.00 C ATOM 731 NH1 ARG B 15 13.515 -10.183 -6.134 1.00 0.00 N ATOM 732 NH2 ARG B 15 12.238 -10.830 -4.336 1.00 0.00 N ATOM 0 H ARG B 15 10.616 -3.907 -6.004 1.00 0.00 H new ATOM 0 HA ARG B 15 12.143 -5.465 -4.406 1.00 0.00 H new ATOM 0 HB2 ARG B 15 10.725 -6.836 -5.439 1.00 0.00 H new ATOM 0 HB3 ARG B 15 10.621 -5.814 -6.860 1.00 0.00 H new ATOM 0 HG2 ARG B 15 12.384 -6.908 -7.949 1.00 0.00 H new ATOM 0 HG3 ARG B 15 13.072 -7.518 -6.457 1.00 0.00 H new ATOM 0 HD2 ARG B 15 10.350 -8.411 -7.474 1.00 0.00 H new ATOM 0 HD3 ARG B 15 11.834 -9.212 -7.949 1.00 0.00 H new ATOM 0 HE ARG B 15 10.473 -9.420 -5.380 1.00 0.00 H new ATOM 0 HH11 ARG B 15 13.619 -9.659 -7.003 1.00 0.00 H new ATOM 0 HH12 ARG B 15 14.293 -10.738 -5.776 1.00 0.00 H new ATOM 0 HH21 ARG B 15 11.359 -10.805 -3.819 1.00 0.00 H new ATOM 0 HH22 ARG B 15 13.020 -11.382 -3.985 1.00 0.00 H new ATOM 746 N ILE B 16 14.122 -4.304 -6.682 1.00 0.00 N ATOM 747 CA ILE B 16 15.499 -4.252 -7.012 1.00 0.00 C ATOM 748 C ILE B 16 16.276 -3.971 -5.752 1.00 0.00 C ATOM 749 O ILE B 16 17.206 -4.684 -5.372 1.00 0.00 O ATOM 750 CB ILE B 16 15.745 -3.139 -7.979 1.00 0.00 C ATOM 751 CG1 ILE B 16 15.252 -3.522 -9.368 1.00 0.00 C ATOM 752 CG2 ILE B 16 17.210 -2.857 -7.946 1.00 0.00 C ATOM 753 CD1 ILE B 16 14.697 -4.928 -9.531 1.00 0.00 C ATOM 0 H ILE B 16 13.556 -3.563 -7.096 1.00 0.00 H new ATOM 0 HA ILE B 16 15.807 -5.197 -7.458 1.00 0.00 H new ATOM 0 HB ILE B 16 15.194 -2.238 -7.708 1.00 0.00 H new ATOM 0 HG12 ILE B 16 14.477 -2.814 -9.661 1.00 0.00 H new ATOM 0 HG13 ILE B 16 16.078 -3.399 -10.068 1.00 0.00 H new ATOM 0 HG21 ILE B 16 17.440 -2.048 -8.639 1.00 0.00 H new ATOM 0 HG22 ILE B 16 17.502 -2.565 -6.937 1.00 0.00 H new ATOM 0 HG23 ILE B 16 17.759 -3.752 -8.238 1.00 0.00 H new ATOM 0 HD11 ILE B 16 14.380 -5.077 -10.563 1.00 0.00 H new ATOM 0 HD12 ILE B 16 15.469 -5.655 -9.280 1.00 0.00 H new ATOM 0 HD13 ILE B 16 13.843 -5.061 -8.867 1.00 0.00 H new ATOM 765 N THR B 17 15.812 -2.923 -5.104 1.00 0.00 N ATOM 766 CA THR B 17 16.336 -2.465 -3.856 1.00 0.00 C ATOM 767 C THR B 17 15.537 -3.058 -2.725 1.00 0.00 C ATOM 768 O THR B 17 15.701 -2.672 -1.566 1.00 0.00 O ATOM 769 CB THR B 17 16.291 -0.954 -3.864 1.00 0.00 C ATOM 770 OG1 THR B 17 14.973 -0.472 -3.670 1.00 0.00 O ATOM 771 CG2 THR B 17 16.817 -0.455 -5.179 1.00 0.00 C ATOM 0 H THR B 17 15.037 -2.357 -5.450 1.00 0.00 H new ATOM 0 HA THR B 17 17.369 -2.783 -3.714 1.00 0.00 H new ATOM 0 HB THR B 17 16.907 -0.588 -3.043 1.00 0.00 H new ATOM 0 HG1 THR B 17 14.882 0.410 -4.088 1.00 0.00 H new ATOM 0 HG21 THR B 17 16.788 0.635 -5.193 1.00 0.00 H new ATOM 0 HG22 THR B 17 17.845 -0.792 -5.311 1.00 0.00 H new ATOM 0 HG23 THR B 17 16.200 -0.845 -5.989 1.00 0.00 H new ATOM 779 N GLY B 18 14.625 -3.968 -3.121 1.00 0.00 N ATOM 780 CA GLY B 18 13.681 -4.592 -2.215 1.00 0.00 C ATOM 781 C GLY B 18 13.326 -3.660 -1.086 1.00 0.00 C ATOM 782 O GLY B 18 13.102 -4.082 0.049 1.00 0.00 O ATOM 0 H GLY B 18 14.534 -4.282 -4.087 1.00 0.00 H new ATOM 0 HA2 GLY B 18 12.779 -4.872 -2.759 1.00 0.00 H new ATOM 0 HA3 GLY B 18 14.109 -5.511 -1.813 1.00 0.00 H new ATOM 786 N LYS B 19 13.313 -2.366 -1.416 1.00 0.00 N ATOM 787 CA LYS B 19 13.021 -1.336 -0.460 1.00 0.00 C ATOM 788 C LYS B 19 11.641 -0.759 -0.708 1.00 0.00 C ATOM 789 O LYS B 19 11.049 -0.965 -1.768 1.00 0.00 O ATOM 790 CB LYS B 19 14.113 -0.274 -0.487 1.00 0.00 C ATOM 791 CG LYS B 19 13.762 0.918 -1.329 1.00 0.00 C ATOM 792 CD LYS B 19 14.363 2.202 -0.779 1.00 0.00 C ATOM 793 CE LYS B 19 13.521 2.773 0.352 1.00 0.00 C ATOM 794 NZ LYS B 19 13.916 4.168 0.693 1.00 0.00 N ATOM 0 H LYS B 19 13.506 -2.020 -2.356 1.00 0.00 H new ATOM 0 HA LYS B 19 13.009 -1.762 0.543 1.00 0.00 H new ATOM 0 HB2 LYS B 19 14.314 0.056 0.532 1.00 0.00 H new ATOM 0 HB3 LYS B 19 15.033 -0.719 -0.865 1.00 0.00 H new ATOM 0 HG2 LYS B 19 14.116 0.759 -2.347 1.00 0.00 H new ATOM 0 HG3 LYS B 19 12.678 1.018 -1.381 1.00 0.00 H new ATOM 0 HD2 LYS B 19 15.373 2.007 -0.419 1.00 0.00 H new ATOM 0 HD3 LYS B 19 14.446 2.938 -1.579 1.00 0.00 H new ATOM 0 HE2 LYS B 19 12.469 2.754 0.066 1.00 0.00 H new ATOM 0 HE3 LYS B 19 13.623 2.141 1.234 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 13.318 4.519 1.468 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 14.912 4.184 0.991 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 13.794 4.777 -0.141 1.00 0.00 H new ATOM 808 N ARG B 20 11.114 -0.081 0.295 1.00 0.00 N ATOM 809 CA ARG B 20 9.773 0.471 0.198 1.00 0.00 C ATOM 810 C ARG B 20 9.692 1.974 0.381 1.00 0.00 C ATOM 811 O ARG B 20 10.443 2.582 1.146 1.00 0.00 O ATOM 812 CB ARG B 20 8.858 -0.218 1.211 1.00 0.00 C ATOM 813 CG ARG B 20 9.034 0.269 2.645 1.00 0.00 C ATOM 814 CD ARG B 20 10.180 -0.446 3.346 1.00 0.00 C ATOM 815 NE ARG B 20 9.707 -1.396 4.354 1.00 0.00 N ATOM 816 CZ ARG B 20 10.495 -1.969 5.268 1.00 0.00 C ATOM 817 NH1 ARG B 20 11.796 -1.691 5.310 1.00 0.00 N ATOM 818 NH2 ARG B 20 9.979 -2.825 6.144 1.00 0.00 N ATOM 0 H ARG B 20 11.588 0.100 1.180 1.00 0.00 H new ATOM 0 HA ARG B 20 9.447 0.278 -0.824 1.00 0.00 H new ATOM 0 HB2 ARG B 20 7.821 -0.063 0.911 1.00 0.00 H new ATOM 0 HB3 ARG B 20 9.042 -1.292 1.179 1.00 0.00 H new ATOM 0 HG2 ARG B 20 9.221 1.343 2.644 1.00 0.00 H new ATOM 0 HG3 ARG B 20 8.110 0.107 3.200 1.00 0.00 H new ATOM 0 HD2 ARG B 20 10.783 -0.974 2.607 1.00 0.00 H new ATOM 0 HD3 ARG B 20 10.829 0.290 3.820 1.00 0.00 H new ATOM 0 HE ARG B 20 8.715 -1.635 4.359 1.00 0.00 H new ATOM 0 HH11 ARG B 20 12.199 -1.035 4.641 1.00 0.00 H new ATOM 0 HH12 ARG B 20 12.390 -2.133 6.012 1.00 0.00 H new ATOM 0 HH21 ARG B 20 8.983 -3.043 6.118 1.00 0.00 H new ATOM 0 HH22 ARG B 20 10.579 -3.264 6.843 1.00 0.00 H new ATOM 832 N GLN B 21 8.728 2.543 -0.332 1.00 0.00 N ATOM 833 CA GLN B 21 8.441 3.957 -0.297 1.00 0.00 C ATOM 834 C GLN B 21 6.945 4.162 -0.098 1.00 0.00 C ATOM 835 O GLN B 21 6.157 3.274 -0.402 1.00 0.00 O ATOM 836 CB GLN B 21 8.775 4.579 -1.628 1.00 0.00 C ATOM 837 CG GLN B 21 10.006 4.063 -2.296 1.00 0.00 C ATOM 838 CD GLN B 21 10.920 5.148 -2.797 1.00 0.00 C ATOM 839 OE1 GLN B 21 12.028 5.328 -2.291 1.00 0.00 O ATOM 840 NE2 GLN B 21 10.464 5.881 -3.795 1.00 0.00 N ATOM 0 H GLN B 21 8.118 2.019 -0.959 1.00 0.00 H new ATOM 0 HA GLN B 21 9.023 4.405 0.508 1.00 0.00 H new ATOM 0 HB2 GLN B 21 7.930 4.429 -2.300 1.00 0.00 H new ATOM 0 HB3 GLN B 21 8.884 5.654 -1.488 1.00 0.00 H new ATOM 0 HG2 GLN B 21 10.553 3.434 -1.594 1.00 0.00 H new ATOM 0 HG3 GLN B 21 9.716 3.429 -3.134 1.00 0.00 H new ATOM 0 HE21 GLN B 21 9.539 5.695 -4.183 1.00 0.00 H new ATOM 0 HE22 GLN B 21 11.036 6.633 -4.179 1.00 0.00 H new ATOM 849 N PHE B 22 6.552 5.354 0.306 1.00 0.00 N ATOM 850 CA PHE B 22 5.133 5.687 0.416 1.00 0.00 C ATOM 851 C PHE B 22 4.807 6.636 -0.743 1.00 0.00 C ATOM 852 O PHE B 22 4.010 7.568 -0.626 1.00 0.00 O ATOM 853 CB PHE B 22 4.852 6.351 1.753 1.00 0.00 C ATOM 854 CG PHE B 22 4.827 5.376 2.892 1.00 0.00 C ATOM 855 CD1 PHE B 22 3.777 4.475 3.030 1.00 0.00 C ATOM 856 CD2 PHE B 22 5.858 5.348 3.824 1.00 0.00 C ATOM 857 CE1 PHE B 22 3.753 3.570 4.074 1.00 0.00 C ATOM 858 CE2 PHE B 22 5.840 4.446 4.871 1.00 0.00 C ATOM 859 CZ PHE B 22 4.786 3.559 4.993 1.00 0.00 C ATOM 0 H PHE B 22 7.187 6.110 0.564 1.00 0.00 H new ATOM 0 HA PHE B 22 4.514 4.792 0.363 1.00 0.00 H new ATOM 0 HB2 PHE B 22 5.613 7.107 1.945 1.00 0.00 H new ATOM 0 HB3 PHE B 22 3.894 6.868 1.702 1.00 0.00 H new ATOM 0 HD1 PHE B 22 2.970 4.483 2.312 1.00 0.00 H new ATOM 0 HD2 PHE B 22 6.683 6.039 3.729 1.00 0.00 H new ATOM 0 HE1 PHE B 22 2.932 2.875 4.172 1.00 0.00 H new ATOM 0 HE2 PHE B 22 6.645 4.434 5.591 1.00 0.00 H new ATOM 0 HZ PHE B 22 4.770 2.854 5.811 1.00 0.00 H new ATOM 869 N GLU B 23 5.532 6.400 -1.837 1.00 0.00 N ATOM 870 CA GLU B 23 5.493 7.199 -3.045 1.00 0.00 C ATOM 871 C GLU B 23 5.702 6.402 -4.282 1.00 0.00 C ATOM 872 O GLU B 23 6.416 5.407 -4.272 1.00 0.00 O ATOM 873 CB GLU B 23 6.672 8.164 -2.996 1.00 0.00 C ATOM 874 CG GLU B 23 7.589 8.080 -4.223 1.00 0.00 C ATOM 875 CD GLU B 23 8.818 8.963 -4.111 1.00 0.00 C ATOM 876 OE1 GLU B 23 9.631 8.738 -3.189 1.00 0.00 O ATOM 877 OE2 GLU B 23 8.968 9.878 -4.948 1.00 0.00 O ATOM 0 H GLU B 23 6.183 5.617 -1.900 1.00 0.00 H new ATOM 0 HA GLU B 23 4.512 7.673 -3.080 1.00 0.00 H new ATOM 0 HB2 GLU B 23 6.293 9.182 -2.905 1.00 0.00 H new ATOM 0 HB3 GLU B 23 7.259 7.961 -2.100 1.00 0.00 H new ATOM 0 HG2 GLU B 23 7.904 7.046 -4.363 1.00 0.00 H new ATOM 0 HG3 GLU B 23 7.024 8.365 -5.111 1.00 0.00 H new ATOM 884 N ARG B 24 5.213 6.981 -5.368 1.00 0.00 N ATOM 885 CA ARG B 24 5.462 6.470 -6.677 1.00 0.00 C ATOM 886 C ARG B 24 6.783 7.089 -7.085 1.00 0.00 C ATOM 887 O ARG B 24 6.886 8.290 -7.344 1.00 0.00 O ATOM 888 CB ARG B 24 4.335 6.808 -7.619 1.00 0.00 C ATOM 889 CG ARG B 24 4.642 6.407 -9.024 1.00 0.00 C ATOM 890 CD ARG B 24 3.767 7.142 -10.017 1.00 0.00 C ATOM 891 NE ARG B 24 3.077 6.237 -10.933 1.00 0.00 N ATOM 892 CZ ARG B 24 1.849 5.747 -10.734 1.00 0.00 C ATOM 893 NH1 ARG B 24 1.155 6.074 -9.646 1.00 0.00 N ATOM 894 NH2 ARG B 24 1.310 4.929 -11.632 1.00 0.00 N ATOM 0 H ARG B 24 4.633 7.820 -5.350 1.00 0.00 H new ATOM 0 HA ARG B 24 5.517 5.382 -6.702 1.00 0.00 H new ATOM 0 HB2 ARG B 24 3.425 6.307 -7.290 1.00 0.00 H new ATOM 0 HB3 ARG B 24 4.141 7.880 -7.582 1.00 0.00 H new ATOM 0 HG2 ARG B 24 5.690 6.612 -9.241 1.00 0.00 H new ATOM 0 HG3 ARG B 24 4.497 5.332 -9.136 1.00 0.00 H new ATOM 0 HD2 ARG B 24 3.031 7.737 -9.477 1.00 0.00 H new ATOM 0 HD3 ARG B 24 4.380 7.837 -10.591 1.00 0.00 H new ATOM 0 HE ARG B 24 3.566 5.960 -11.784 1.00 0.00 H new ATOM 0 HH11 ARG B 24 1.559 6.705 -8.954 1.00 0.00 H new ATOM 0 HH12 ARG B 24 0.219 5.694 -9.505 1.00 0.00 H new ATOM 0 HH21 ARG B 24 1.833 4.676 -12.471 1.00 0.00 H new ATOM 0 HH22 ARG B 24 0.373 4.554 -11.483 1.00 0.00 H new ATOM 908 N PRO B 25 7.817 6.256 -7.076 1.00 0.00 N ATOM 909 CA PRO B 25 9.193 6.656 -7.370 1.00 0.00 C ATOM 910 C PRO B 25 9.344 7.393 -8.675 1.00 0.00 C ATOM 911 O PRO B 25 8.448 7.379 -9.521 1.00 0.00 O ATOM 912 CB PRO B 25 9.957 5.359 -7.354 1.00 0.00 C ATOM 913 CG PRO B 25 9.119 4.404 -6.594 1.00 0.00 C ATOM 914 CD PRO B 25 7.702 4.833 -6.753 1.00 0.00 C ATOM 0 HA PRO B 25 9.564 7.376 -6.640 1.00 0.00 H new ATOM 0 HB2 PRO B 25 10.138 5.000 -8.367 1.00 0.00 H new ATOM 0 HB3 PRO B 25 10.931 5.485 -6.882 1.00 0.00 H new ATOM 0 HG2 PRO B 25 9.257 3.390 -6.968 1.00 0.00 H new ATOM 0 HG3 PRO B 25 9.403 4.397 -5.542 1.00 0.00 H new ATOM 0 HD2 PRO B 25 7.200 4.279 -7.547 1.00 0.00 H new ATOM 0 HD3 PRO B 25 7.128 4.672 -5.840 1.00 0.00 H new ATOM 922 N SER B 26 10.492 8.059 -8.787 1.00 0.00 N ATOM 923 CA SER B 26 10.873 8.869 -9.946 1.00 0.00 C ATOM 924 C SER B 26 10.160 8.474 -11.196 1.00 0.00 C ATOM 925 O SER B 26 9.654 9.315 -11.943 1.00 0.00 O ATOM 926 CB SER B 26 12.355 8.754 -10.169 1.00 0.00 C ATOM 927 OG SER B 26 12.771 9.462 -11.326 1.00 0.00 O ATOM 0 H SER B 26 11.203 8.051 -8.055 1.00 0.00 H new ATOM 0 HA SER B 26 10.588 9.897 -9.722 1.00 0.00 H new ATOM 0 HB2 SER B 26 12.884 9.139 -9.298 1.00 0.00 H new ATOM 0 HB3 SER B 26 12.627 7.703 -10.269 1.00 0.00 H new ATOM 0 HG SER B 26 13.740 9.366 -11.438 1.00 0.00 H new ATOM 933 N ASP B 27 10.092 7.186 -11.367 1.00 0.00 N ATOM 934 CA ASP B 27 9.396 6.590 -12.477 1.00 0.00 C ATOM 935 C ASP B 27 10.101 6.806 -13.823 1.00 0.00 C ATOM 936 O ASP B 27 10.066 5.875 -14.655 1.00 0.00 O ATOM 937 CB ASP B 27 8.006 7.161 -12.448 1.00 0.00 C ATOM 938 CG ASP B 27 7.501 7.665 -13.789 1.00 0.00 C ATOM 939 OD1 ASP B 27 6.947 6.851 -14.559 1.00 0.00 O ATOM 940 OD2 ASP B 27 7.660 8.872 -14.069 1.00 0.00 O ATOM 941 OXT ASP B 27 10.679 7.894 -14.036 1.00 0.00 O ATOM 0 H ASP B 27 10.522 6.510 -10.735 1.00 0.00 H new ATOM 0 HA ASP B 27 9.375 5.505 -12.377 1.00 0.00 H new ATOM 0 HB2 ASP B 27 7.321 6.397 -12.081 1.00 0.00 H new ATOM 0 HB3 ASP B 27 7.980 7.983 -11.733 1.00 0.00 H new TER 946 ASP B 27