USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 528 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0139 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -69:sc= -0.889 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -135:sc= -1.15 (180deg=-3!) USER MOD Single : A 46 HIS :FLIP no HD1:sc= -1.99 F(o=-3.5!,f=-2) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc=-0.00284 X(o=-0.0028,f=-0.0036) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -113:sc= 1.29 USER MOD Single : A 62 SER OG : rot -96:sc= 0.498 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.032) USER MOD ----------------------------------------------------------------- ATOM 39 N PRO A 9 -4.055 0.273 -10.606 1.00 0.00 N ATOM 40 CA PRO A 9 -3.268 -0.152 -9.458 1.00 0.00 C ATOM 41 C PRO A 9 -4.062 -0.990 -8.453 1.00 0.00 C ATOM 42 O PRO A 9 -5.301 -0.988 -8.444 1.00 0.00 O ATOM 43 CB PRO A 9 -2.817 1.164 -8.826 1.00 0.00 C ATOM 44 CG PRO A 9 -3.877 2.143 -9.190 1.00 0.00 C ATOM 45 CD PRO A 9 -4.423 1.705 -10.522 1.00 0.00 C ATOM 0 HA PRO A 9 -2.447 -0.803 -9.760 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.719 1.070 -7.744 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.844 1.474 -9.208 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.663 2.162 -8.435 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.469 3.152 -9.251 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -5.503 1.844 -10.576 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.987 2.278 -11.340 1.00 0.00 H new ATOM 53 N GLY A 10 -3.344 -1.721 -7.659 1.00 0.00 N ATOM 54 CA GLY A 10 -3.915 -2.526 -6.627 1.00 0.00 C ATOM 55 C GLY A 10 -2.913 -3.555 -6.223 1.00 0.00 C ATOM 56 O GLY A 10 -2.100 -3.944 -7.059 1.00 0.00 O ATOM 0 H GLY A 10 -2.327 -1.775 -7.711 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.190 -1.908 -5.772 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.828 -3.004 -6.981 1.00 0.00 H new ATOM 60 N ILE A 11 -2.944 -3.978 -4.946 1.00 0.00 N ATOM 61 CA ILE A 11 -1.976 -4.960 -4.398 1.00 0.00 C ATOM 62 C ILE A 11 -1.796 -6.143 -5.343 1.00 0.00 C ATOM 63 O ILE A 11 -2.698 -6.967 -5.509 1.00 0.00 O ATOM 64 CB ILE A 11 -2.397 -5.498 -2.997 1.00 0.00 C ATOM 65 CG1 ILE A 11 -2.672 -4.338 -2.034 1.00 0.00 C ATOM 66 CG2 ILE A 11 -1.311 -6.420 -2.424 1.00 0.00 C ATOM 67 CD1 ILE A 11 -3.081 -4.769 -0.650 1.00 0.00 C ATOM 0 H ILE A 11 -3.632 -3.655 -4.266 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.034 -4.422 -4.292 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.314 -6.075 -3.115 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.776 -3.721 -1.961 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.458 -3.710 -2.454 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.623 -6.786 -1.446 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.160 -7.265 -3.096 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.378 -5.865 -2.323 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.257 -3.889 -0.032 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.995 -5.360 -0.708 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.288 -5.371 -0.207 1.00 0.00 H new ATOM 79 N THR A 12 -0.653 -6.170 -5.994 1.00 0.00 N ATOM 80 CA THR A 12 -0.322 -7.206 -6.946 1.00 0.00 C ATOM 81 C THR A 12 0.469 -8.336 -6.239 1.00 0.00 C ATOM 82 O THR A 12 0.902 -9.301 -6.859 1.00 0.00 O ATOM 83 CB THR A 12 0.504 -6.567 -8.076 1.00 0.00 C ATOM 84 OG1 THR A 12 -0.095 -5.297 -8.400 1.00 0.00 O ATOM 85 CG2 THR A 12 0.492 -7.426 -9.330 1.00 0.00 C ATOM 0 H THR A 12 0.078 -5.468 -5.876 1.00 0.00 H new ATOM 0 HA THR A 12 -1.224 -7.651 -7.366 1.00 0.00 H new ATOM 0 HB THR A 12 1.535 -6.461 -7.738 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.416 -4.868 -9.118 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.085 -6.944 -10.107 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.916 -8.405 -9.105 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.534 -7.546 -9.679 1.00 0.00 H new ATOM 93 N PHE A 13 0.650 -8.161 -4.915 1.00 0.00 N ATOM 94 CA PHE A 13 1.302 -9.145 -4.024 1.00 0.00 C ATOM 95 C PHE A 13 2.768 -9.399 -4.378 1.00 0.00 C ATOM 96 O PHE A 13 3.356 -10.378 -3.943 1.00 0.00 O ATOM 97 CB PHE A 13 0.502 -10.466 -3.968 1.00 0.00 C ATOM 98 CG PHE A 13 -0.873 -10.323 -3.369 1.00 0.00 C ATOM 99 CD1 PHE A 13 -1.064 -10.477 -2.008 1.00 0.00 C ATOM 100 CD2 PHE A 13 -1.970 -10.035 -4.164 1.00 0.00 C ATOM 101 CE1 PHE A 13 -2.322 -10.347 -1.451 1.00 0.00 C ATOM 102 CE2 PHE A 13 -3.228 -9.903 -3.612 1.00 0.00 C ATOM 103 CZ PHE A 13 -3.404 -10.059 -2.255 1.00 0.00 C ATOM 0 H PHE A 13 0.343 -7.320 -4.426 1.00 0.00 H new ATOM 0 HA PHE A 13 1.302 -8.701 -3.028 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.408 -10.865 -4.978 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.066 -11.196 -3.388 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -0.220 -10.702 -1.373 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.839 -9.912 -5.229 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.457 -10.471 -0.387 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.074 -9.677 -4.244 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.388 -9.956 -1.822 1.00 0.00 H new ATOM 113 N GLU A 14 3.360 -8.485 -5.109 1.00 0.00 N ATOM 114 CA GLU A 14 4.745 -8.594 -5.503 1.00 0.00 C ATOM 115 C GLU A 14 5.524 -7.389 -5.013 1.00 0.00 C ATOM 116 O GLU A 14 5.047 -6.250 -5.102 1.00 0.00 O ATOM 117 CB GLU A 14 4.873 -8.697 -7.025 1.00 0.00 C ATOM 118 CG GLU A 14 4.370 -9.993 -7.631 1.00 0.00 C ATOM 119 CD GLU A 14 5.138 -11.201 -7.149 1.00 0.00 C ATOM 120 OE1 GLU A 14 6.343 -11.349 -7.496 1.00 0.00 O ATOM 121 OE2 GLU A 14 4.576 -12.024 -6.411 1.00 0.00 O ATOM 0 H GLU A 14 2.895 -7.643 -5.448 1.00 0.00 H new ATOM 0 HA GLU A 14 5.153 -9.500 -5.054 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.327 -7.868 -7.476 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.922 -8.572 -7.294 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.315 -10.118 -7.387 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.441 -9.933 -8.717 1.00 0.00 H new ATOM 128 N ILE A 15 6.692 -7.632 -4.485 1.00 0.00 N ATOM 129 CA ILE A 15 7.569 -6.576 -4.044 1.00 0.00 C ATOM 130 C ILE A 15 8.061 -5.780 -5.241 1.00 0.00 C ATOM 131 O ILE A 15 8.674 -6.328 -6.172 1.00 0.00 O ATOM 132 CB ILE A 15 8.752 -7.129 -3.211 1.00 0.00 C ATOM 133 CG1 ILE A 15 8.226 -7.664 -1.870 1.00 0.00 C ATOM 134 CG2 ILE A 15 9.841 -6.075 -3.007 1.00 0.00 C ATOM 135 CD1 ILE A 15 9.285 -8.234 -0.963 1.00 0.00 C ATOM 0 H ILE A 15 7.066 -8.571 -4.347 1.00 0.00 H new ATOM 0 HA ILE A 15 7.005 -5.911 -3.390 1.00 0.00 H new ATOM 0 HB ILE A 15 9.215 -7.949 -3.761 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.715 -6.856 -1.347 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.482 -8.436 -2.068 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.654 -6.501 -2.418 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.224 -5.755 -3.976 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.423 -5.217 -2.481 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.823 -8.587 -0.041 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.782 -9.066 -1.462 1.00 0.00 H new ATOM 0 HD13 ILE A 15 10.018 -7.462 -0.729 1.00 0.00 H new ATOM 147 N GLY A 16 7.785 -4.502 -5.220 1.00 0.00 N ATOM 148 CA GLY A 16 8.122 -3.654 -6.321 1.00 0.00 C ATOM 149 C GLY A 16 6.895 -3.292 -7.108 1.00 0.00 C ATOM 150 O GLY A 16 6.939 -2.433 -8.003 1.00 0.00 O ATOM 0 H GLY A 16 7.324 -4.028 -4.444 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.605 -2.748 -5.954 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.840 -4.158 -6.968 1.00 0.00 H new ATOM 154 N ALA A 17 5.792 -3.949 -6.806 1.00 0.00 N ATOM 155 CA ALA A 17 4.548 -3.665 -7.464 1.00 0.00 C ATOM 156 C ALA A 17 3.795 -2.607 -6.691 1.00 0.00 C ATOM 157 O ALA A 17 4.149 -2.287 -5.544 1.00 0.00 O ATOM 158 CB ALA A 17 3.704 -4.921 -7.614 1.00 0.00 C ATOM 0 H ALA A 17 5.740 -4.687 -6.103 1.00 0.00 H new ATOM 0 HA ALA A 17 4.763 -3.293 -8.466 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.769 -4.673 -8.116 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.249 -5.657 -8.205 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.489 -5.334 -6.629 1.00 0.00 H new ATOM 164 N ARG A 18 2.804 -2.046 -7.307 1.00 0.00 N ATOM 165 CA ARG A 18 2.016 -1.045 -6.695 1.00 0.00 C ATOM 166 C ARG A 18 0.764 -1.606 -6.102 1.00 0.00 C ATOM 167 O ARG A 18 0.365 -2.740 -6.387 1.00 0.00 O ATOM 168 CB ARG A 18 1.661 0.020 -7.699 1.00 0.00 C ATOM 169 CG ARG A 18 2.832 0.822 -8.148 1.00 0.00 C ATOM 170 CD ARG A 18 2.426 1.799 -9.197 1.00 0.00 C ATOM 171 NE ARG A 18 3.483 2.745 -9.457 1.00 0.00 N ATOM 172 CZ ARG A 18 3.283 3.994 -9.832 1.00 0.00 C ATOM 173 NH1 ARG A 18 2.108 4.362 -10.312 1.00 0.00 N ATOM 174 NH2 ARG A 18 4.277 4.848 -9.807 1.00 0.00 N ATOM 0 H ARG A 18 2.522 -2.278 -8.259 1.00 0.00 H new ATOM 0 HA ARG A 18 2.608 -0.613 -5.888 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.197 -0.449 -8.567 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.918 0.688 -7.262 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.265 1.351 -7.299 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.605 0.160 -8.539 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.173 1.269 -10.115 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.529 2.329 -8.878 1.00 0.00 H new ATOM 0 HE ARG A 18 4.446 2.428 -9.344 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.354 3.680 -10.393 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.955 5.328 -10.601 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.201 4.546 -9.498 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.126 5.814 -10.096 1.00 0.00 H new ATOM 188 N LEU A 19 0.181 -0.819 -5.268 1.00 0.00 N ATOM 189 CA LEU A 19 -1.095 -1.088 -4.655 1.00 0.00 C ATOM 190 C LEU A 19 -1.868 0.215 -4.516 1.00 0.00 C ATOM 191 O LEU A 19 -1.331 1.276 -4.859 1.00 0.00 O ATOM 192 CB LEU A 19 -0.886 -1.789 -3.299 1.00 0.00 C ATOM 193 CG LEU A 19 0.163 -1.204 -2.336 1.00 0.00 C ATOM 194 CD1 LEU A 19 -0.212 0.159 -1.854 1.00 0.00 C ATOM 195 CD2 LEU A 19 0.360 -2.117 -1.166 1.00 0.00 C ATOM 0 H LEU A 19 0.588 0.069 -4.975 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.682 -1.761 -5.280 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.844 -1.804 -2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.615 -2.826 -3.498 1.00 0.00 H new ATOM 0 HG LEU A 19 1.095 -1.114 -2.893 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.558 0.530 -1.178 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.303 0.834 -2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.165 0.109 -1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.104 -1.691 -0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.584 -2.236 -0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.703 -3.090 -1.517 1.00 0.00 H new ATOM 207 N GLU A 20 -3.091 0.176 -4.025 1.00 0.00 N ATOM 208 CA GLU A 20 -3.791 1.430 -3.801 1.00 0.00 C ATOM 209 C GLU A 20 -3.785 1.769 -2.337 1.00 0.00 C ATOM 210 O GLU A 20 -4.033 0.899 -1.508 1.00 0.00 O ATOM 211 CB GLU A 20 -5.221 1.402 -4.325 1.00 0.00 C ATOM 212 CG GLU A 20 -5.334 1.317 -5.831 1.00 0.00 C ATOM 213 CD GLU A 20 -6.721 1.657 -6.319 1.00 0.00 C ATOM 214 OE1 GLU A 20 -7.036 2.856 -6.427 1.00 0.00 O ATOM 215 OE2 GLU A 20 -7.512 0.744 -6.632 1.00 0.00 O ATOM 0 H GLU A 20 -3.605 -0.671 -3.781 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.259 2.200 -4.360 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.739 0.550 -3.885 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.737 2.299 -3.984 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.614 1.997 -6.287 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.073 0.310 -6.157 1.00 0.00 H new ATOM 222 N ALA A 21 -3.434 2.995 -2.008 1.00 0.00 N ATOM 223 CA ALA A 21 -3.497 3.437 -0.640 1.00 0.00 C ATOM 224 C ALA A 21 -4.185 4.788 -0.535 1.00 0.00 C ATOM 225 O ALA A 21 -3.860 5.700 -1.279 1.00 0.00 O ATOM 226 CB ALA A 21 -2.120 3.486 -0.016 1.00 0.00 C ATOM 0 H ALA A 21 -3.104 3.697 -2.670 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.090 2.710 -0.085 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.201 3.823 1.017 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.674 2.492 -0.039 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.491 4.178 -0.576 1.00 0.00 H new ATOM 232 N LEU A 22 -5.169 4.846 0.356 1.00 0.00 N ATOM 233 CA LEU A 22 -5.955 6.042 0.721 1.00 0.00 C ATOM 234 C LEU A 22 -5.175 6.759 1.767 1.00 0.00 C ATOM 235 O LEU A 22 -5.387 6.548 2.969 1.00 0.00 O ATOM 236 CB LEU A 22 -7.277 5.583 1.359 1.00 0.00 C ATOM 237 CG LEU A 22 -8.471 6.547 1.493 1.00 0.00 C ATOM 238 CD1 LEU A 22 -9.533 5.863 2.322 1.00 0.00 C ATOM 239 CD2 LEU A 22 -8.124 7.887 2.120 1.00 0.00 C ATOM 0 H LEU A 22 -5.464 4.020 0.877 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.151 6.668 -0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.625 4.722 0.788 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.041 5.227 2.362 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.818 6.774 0.485 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.391 6.526 2.432 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.846 4.944 1.826 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.129 5.625 3.306 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.020 8.505 2.177 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.728 7.728 3.123 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.374 8.391 1.510 1.00 0.00 H new ATOM 251 N ASP A 23 -4.278 7.553 1.370 1.00 0.00 N ATOM 252 CA ASP A 23 -3.464 8.189 2.334 1.00 0.00 C ATOM 253 C ASP A 23 -4.211 9.298 2.976 1.00 0.00 C ATOM 254 O ASP A 23 -5.276 9.697 2.457 1.00 0.00 O ATOM 255 CB ASP A 23 -2.201 8.700 1.744 1.00 0.00 C ATOM 256 CG ASP A 23 -2.264 10.126 1.208 1.00 0.00 C ATOM 257 OD1 ASP A 23 -3.056 10.432 0.310 1.00 0.00 O ATOM 258 OD2 ASP A 23 -1.484 10.959 1.700 1.00 0.00 O ATOM 0 H ASP A 23 -4.080 7.785 0.397 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.198 7.444 3.084 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -1.418 8.648 2.501 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.904 8.037 0.932 1.00 0.00 H new ATOM 263 N TYR A 24 -3.599 9.807 4.062 1.00 0.00 N ATOM 264 CA TYR A 24 -4.086 10.854 4.976 1.00 0.00 C ATOM 265 C TYR A 24 -4.637 12.095 4.272 1.00 0.00 C ATOM 266 O TYR A 24 -5.462 12.812 4.827 1.00 0.00 O ATOM 267 CB TYR A 24 -2.931 11.225 5.935 1.00 0.00 C ATOM 268 CG TYR A 24 -3.163 12.436 6.809 1.00 0.00 C ATOM 269 CD1 TYR A 24 -3.925 12.361 7.966 1.00 0.00 C ATOM 270 CD2 TYR A 24 -2.609 13.660 6.466 1.00 0.00 C ATOM 271 CE1 TYR A 24 -4.130 13.480 8.748 1.00 0.00 C ATOM 272 CE2 TYR A 24 -2.809 14.772 7.239 1.00 0.00 C ATOM 273 CZ TYR A 24 -3.568 14.682 8.378 1.00 0.00 C ATOM 274 OH TYR A 24 -3.770 15.809 9.153 1.00 0.00 O ATOM 0 H TYR A 24 -2.679 9.469 4.344 1.00 0.00 H new ATOM 0 HA TYR A 24 -4.938 10.450 5.523 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -2.730 10.369 6.579 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -2.032 11.396 5.342 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.362 11.418 8.258 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.008 13.738 5.572 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -4.728 13.413 9.645 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -2.371 15.717 6.953 1.00 0.00 H new ATOM 0 HH TYR A 24 -3.303 16.571 8.750 1.00 0.00 H new ATOM 284 N LEU A 25 -4.201 12.343 3.074 1.00 0.00 N ATOM 285 CA LEU A 25 -4.704 13.469 2.305 1.00 0.00 C ATOM 286 C LEU A 25 -6.043 13.113 1.659 1.00 0.00 C ATOM 287 O LEU A 25 -6.687 13.942 1.013 1.00 0.00 O ATOM 288 CB LEU A 25 -3.657 13.927 1.261 1.00 0.00 C ATOM 289 CG LEU A 25 -2.431 14.728 1.782 1.00 0.00 C ATOM 290 CD1 LEU A 25 -2.876 15.962 2.529 1.00 0.00 C ATOM 291 CD2 LEU A 25 -1.514 13.888 2.658 1.00 0.00 C ATOM 0 H LEU A 25 -3.494 11.784 2.595 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.877 14.310 2.976 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.286 13.041 0.745 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.168 14.539 0.517 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.857 15.026 0.904 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.002 16.507 2.885 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.456 16.601 1.863 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.492 15.670 3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.675 14.496 2.994 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.069 13.525 3.523 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.140 13.039 2.085 1.00 0.00 H new ATOM 303 N GLN A 26 -6.435 11.871 1.865 1.00 0.00 N ATOM 304 CA GLN A 26 -7.633 11.271 1.377 1.00 0.00 C ATOM 305 C GLN A 26 -7.529 11.029 -0.046 1.00 0.00 C ATOM 306 O GLN A 26 -8.306 11.548 -0.858 1.00 0.00 O ATOM 307 CB GLN A 26 -8.941 11.933 1.799 1.00 0.00 C ATOM 308 CG GLN A 26 -9.517 11.377 3.092 1.00 0.00 C ATOM 309 CD GLN A 26 -8.651 11.593 4.313 1.00 0.00 C ATOM 310 OE1 GLN A 26 -8.774 12.606 4.996 1.00 0.00 O ATOM 311 NE2 GLN A 26 -7.787 10.651 4.611 1.00 0.00 N ATOM 0 H GLN A 26 -5.877 11.221 2.418 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.709 10.310 1.886 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.775 13.004 1.916 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.674 11.810 1.002 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.490 11.836 3.267 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.687 10.307 2.968 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.712 9.823 4.021 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.191 10.747 5.433 1.00 0.00 H new ATOM 320 N LYS A 27 -6.503 10.297 -0.381 1.00 0.00 N ATOM 321 CA LYS A 27 -6.287 9.992 -1.781 1.00 0.00 C ATOM 322 C LYS A 27 -5.960 8.570 -1.990 1.00 0.00 C ATOM 323 O LYS A 27 -5.108 8.045 -1.319 1.00 0.00 O ATOM 324 CB LYS A 27 -5.172 10.827 -2.393 1.00 0.00 C ATOM 325 CG LYS A 27 -5.407 12.314 -2.365 1.00 0.00 C ATOM 326 CD LYS A 27 -4.281 13.078 -3.010 1.00 0.00 C ATOM 327 CE LYS A 27 -4.588 14.566 -2.985 1.00 0.00 C ATOM 328 NZ LYS A 27 -3.525 15.371 -3.615 1.00 0.00 N ATOM 0 H LYS A 27 -5.819 9.908 0.267 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.229 10.232 -2.274 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.243 10.610 -1.865 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.030 10.515 -3.428 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.341 12.543 -2.879 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.523 12.643 -1.332 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.347 12.881 -2.483 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.144 12.743 -4.038 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.531 14.748 -3.500 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.721 14.889 -1.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.781 16.378 -3.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.629 15.220 -3.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.414 15.083 -4.608 1.00 0.00 H new ATOM 342 N TRP A 28 -6.645 7.955 -2.919 1.00 0.00 N ATOM 343 CA TRP A 28 -6.331 6.618 -3.337 1.00 0.00 C ATOM 344 C TRP A 28 -5.307 6.691 -4.427 1.00 0.00 C ATOM 345 O TRP A 28 -5.646 6.826 -5.610 1.00 0.00 O ATOM 346 CB TRP A 28 -7.565 5.872 -3.833 1.00 0.00 C ATOM 347 CG TRP A 28 -8.464 5.414 -2.748 1.00 0.00 C ATOM 348 CD1 TRP A 28 -9.602 5.994 -2.316 1.00 0.00 C ATOM 349 CD2 TRP A 28 -8.255 4.271 -1.947 1.00 0.00 C ATOM 350 NE1 TRP A 28 -10.154 5.235 -1.301 1.00 0.00 N ATOM 351 CE2 TRP A 28 -9.319 4.166 -1.051 1.00 0.00 C ATOM 352 CE3 TRP A 28 -7.264 3.328 -1.924 1.00 0.00 C ATOM 353 CZ2 TRP A 28 -9.400 3.111 -0.116 1.00 0.00 C ATOM 354 CZ3 TRP A 28 -7.321 2.312 -1.023 1.00 0.00 C ATOM 355 CH2 TRP A 28 -8.371 2.190 -0.127 1.00 0.00 C ATOM 0 H TRP A 28 -7.438 8.371 -3.407 1.00 0.00 H new ATOM 0 HA TRP A 28 -5.944 6.066 -2.480 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -8.125 6.522 -4.506 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -7.246 5.008 -4.416 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -10.019 6.912 -2.704 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -11.031 5.432 -0.818 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -6.440 3.391 -2.619 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -10.227 3.028 0.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -6.527 1.580 -1.005 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -8.385 1.366 0.570 1.00 0.00 H new ATOM 366 N TYR A 29 -4.080 6.677 -4.051 1.00 0.00 N ATOM 367 CA TYR A 29 -3.032 6.793 -5.006 1.00 0.00 C ATOM 368 C TYR A 29 -2.193 5.520 -5.055 1.00 0.00 C ATOM 369 O TYR A 29 -2.151 4.758 -4.061 1.00 0.00 O ATOM 370 CB TYR A 29 -2.196 8.095 -4.785 1.00 0.00 C ATOM 371 CG TYR A 29 -1.518 8.305 -3.425 1.00 0.00 C ATOM 372 CD1 TYR A 29 -1.023 7.255 -2.654 1.00 0.00 C ATOM 373 CD2 TYR A 29 -1.328 9.588 -2.949 1.00 0.00 C ATOM 374 CE1 TYR A 29 -0.364 7.485 -1.462 1.00 0.00 C ATOM 375 CE2 TYR A 29 -0.684 9.821 -1.769 1.00 0.00 C ATOM 376 CZ TYR A 29 -0.194 8.776 -1.028 1.00 0.00 C ATOM 377 OH TYR A 29 0.473 9.037 0.166 1.00 0.00 O ATOM 0 H TYR A 29 -3.772 6.586 -3.083 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.474 6.898 -5.997 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.421 8.126 -5.551 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.854 8.946 -4.963 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.158 6.239 -2.996 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -1.697 10.425 -3.523 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.013 6.658 -0.878 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.559 10.834 -1.416 1.00 0.00 H new ATOM 0 HH TYR A 29 0.503 10.004 0.319 1.00 0.00 H new ATOM 387 N PRO A 30 -1.575 5.212 -6.215 1.00 0.00 N ATOM 388 CA PRO A 30 -0.719 4.053 -6.345 1.00 0.00 C ATOM 389 C PRO A 30 0.487 4.166 -5.447 1.00 0.00 C ATOM 390 O PRO A 30 1.367 5.007 -5.650 1.00 0.00 O ATOM 391 CB PRO A 30 -0.282 4.047 -7.814 1.00 0.00 C ATOM 392 CG PRO A 30 -1.272 4.915 -8.503 1.00 0.00 C ATOM 393 CD PRO A 30 -1.688 5.945 -7.491 1.00 0.00 C ATOM 0 HA PRO A 30 -1.237 3.138 -6.058 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.731 4.433 -7.928 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.286 3.037 -8.225 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.834 5.386 -9.383 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -2.129 4.335 -8.846 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.039 6.820 -7.514 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.704 6.298 -7.667 1.00 0.00 H new ATOM 401 N SER A 31 0.481 3.382 -4.442 1.00 0.00 N ATOM 402 CA SER A 31 1.557 3.302 -3.532 1.00 0.00 C ATOM 403 C SER A 31 2.308 2.026 -3.845 1.00 0.00 C ATOM 404 O SER A 31 1.837 1.232 -4.648 1.00 0.00 O ATOM 405 CB SER A 31 1.007 3.328 -2.133 1.00 0.00 C ATOM 406 OG SER A 31 0.259 4.494 -1.935 1.00 0.00 O ATOM 0 H SER A 31 -0.295 2.758 -4.221 1.00 0.00 H new ATOM 0 HA SER A 31 2.247 4.142 -3.618 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.382 2.452 -1.963 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.823 3.282 -1.412 1.00 0.00 H new ATOM 0 HG SER A 31 0.858 5.270 -1.929 1.00 0.00 H new ATOM 412 N ARG A 32 3.450 1.815 -3.264 1.00 0.00 N ATOM 413 CA ARG A 32 4.245 0.671 -3.669 1.00 0.00 C ATOM 414 C ARG A 32 4.360 -0.343 -2.540 1.00 0.00 C ATOM 415 O ARG A 32 4.260 0.011 -1.364 1.00 0.00 O ATOM 416 CB ARG A 32 5.680 1.077 -4.056 1.00 0.00 C ATOM 417 CG ARG A 32 5.910 2.052 -5.208 1.00 0.00 C ATOM 418 CD ARG A 32 5.322 3.440 -4.976 1.00 0.00 C ATOM 419 NE ARG A 32 5.618 4.354 -6.078 1.00 0.00 N ATOM 420 CZ ARG A 32 5.099 5.582 -6.228 1.00 0.00 C ATOM 421 NH1 ARG A 32 4.257 6.067 -5.323 1.00 0.00 N ATOM 422 NH2 ARG A 32 5.463 6.332 -7.267 1.00 0.00 N ATOM 0 H ARG A 32 3.853 2.395 -2.528 1.00 0.00 H new ATOM 0 HA ARG A 32 3.732 0.240 -4.529 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.146 1.506 -3.169 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.224 0.162 -4.291 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.982 2.148 -5.380 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.477 1.633 -6.116 1.00 0.00 H new ATOM 0 HD2 ARG A 32 4.242 3.360 -4.852 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.719 3.851 -4.048 1.00 0.00 H new ATOM 0 HE ARG A 32 6.272 4.032 -6.791 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.003 5.505 -4.510 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.864 7.001 -5.440 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.134 5.972 -7.945 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.070 7.266 -7.384 1.00 0.00 H new ATOM 436 N ILE A 33 4.627 -1.577 -2.904 1.00 0.00 N ATOM 437 CA ILE A 33 4.863 -2.653 -1.956 1.00 0.00 C ATOM 438 C ILE A 33 6.381 -2.811 -1.766 1.00 0.00 C ATOM 439 O ILE A 33 7.104 -3.049 -2.737 1.00 0.00 O ATOM 440 CB ILE A 33 4.300 -4.003 -2.487 1.00 0.00 C ATOM 441 CG1 ILE A 33 2.821 -3.868 -2.879 1.00 0.00 C ATOM 442 CG2 ILE A 33 4.469 -5.082 -1.430 1.00 0.00 C ATOM 443 CD1 ILE A 33 2.205 -5.129 -3.458 1.00 0.00 C ATOM 0 H ILE A 33 4.688 -1.870 -3.879 1.00 0.00 H new ATOM 0 HA ILE A 33 4.364 -2.405 -1.019 1.00 0.00 H new ATOM 0 HB ILE A 33 4.859 -4.283 -3.379 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.251 -3.571 -1.999 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.723 -3.064 -3.608 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.073 -6.025 -1.806 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.527 -5.200 -1.196 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.928 -4.796 -0.528 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.160 -4.943 -3.706 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.746 -5.418 -4.359 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.266 -5.933 -2.725 1.00 0.00 H new ATOM 455 N GLU A 34 6.856 -2.630 -0.548 1.00 0.00 N ATOM 456 CA GLU A 34 8.286 -2.766 -0.242 1.00 0.00 C ATOM 457 C GLU A 34 8.560 -4.164 0.292 1.00 0.00 C ATOM 458 O GLU A 34 9.459 -4.856 -0.150 1.00 0.00 O ATOM 459 CB GLU A 34 8.692 -1.756 0.838 1.00 0.00 C ATOM 460 CG GLU A 34 10.181 -1.690 1.113 1.00 0.00 C ATOM 461 CD GLU A 34 10.959 -1.125 -0.042 1.00 0.00 C ATOM 462 OE1 GLU A 34 11.362 -1.878 -0.950 1.00 0.00 O ATOM 463 OE2 GLU A 34 11.200 0.084 -0.051 1.00 0.00 O ATOM 0 H GLU A 34 6.277 -2.387 0.256 1.00 0.00 H new ATOM 0 HA GLU A 34 8.855 -2.586 -1.154 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.347 -0.766 0.539 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.176 -2.007 1.764 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.356 -1.078 1.998 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.549 -2.691 1.339 1.00 0.00 H new ATOM 470 N LYS A 35 7.782 -4.547 1.263 1.00 0.00 N ATOM 471 CA LYS A 35 7.904 -5.826 1.920 1.00 0.00 C ATOM 472 C LYS A 35 6.516 -6.352 2.116 1.00 0.00 C ATOM 473 O LYS A 35 5.564 -5.576 2.035 1.00 0.00 O ATOM 474 CB LYS A 35 8.592 -5.668 3.281 1.00 0.00 C ATOM 475 CG LYS A 35 10.030 -5.180 3.227 1.00 0.00 C ATOM 476 CD LYS A 35 10.562 -4.936 4.623 1.00 0.00 C ATOM 477 CE LYS A 35 12.016 -4.516 4.606 1.00 0.00 C ATOM 478 NZ LYS A 35 12.520 -4.244 5.968 1.00 0.00 N ATOM 0 H LYS A 35 7.027 -3.969 1.632 1.00 0.00 H new ATOM 0 HA LYS A 35 8.505 -6.508 1.318 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.011 -4.971 3.885 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.571 -6.629 3.795 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.651 -5.918 2.719 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.086 -4.260 2.645 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.966 -4.163 5.109 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.453 -5.843 5.217 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.616 -5.300 4.145 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.130 -3.624 3.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.519 -3.959 5.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.963 -3.478 6.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.434 -5.103 6.548 1.00 0.00 H new ATOM 492 N ILE A 36 6.378 -7.624 2.362 1.00 0.00 N ATOM 493 CA ILE A 36 5.067 -8.224 2.515 1.00 0.00 C ATOM 494 C ILE A 36 5.093 -9.202 3.679 1.00 0.00 C ATOM 495 O ILE A 36 6.105 -9.880 3.908 1.00 0.00 O ATOM 496 CB ILE A 36 4.648 -9.030 1.239 1.00 0.00 C ATOM 497 CG1 ILE A 36 4.878 -8.213 -0.032 1.00 0.00 C ATOM 498 CG2 ILE A 36 3.174 -9.423 1.329 1.00 0.00 C ATOM 499 CD1 ILE A 36 4.590 -8.957 -1.310 1.00 0.00 C ATOM 0 H ILE A 36 7.157 -8.275 2.463 1.00 0.00 H new ATOM 0 HA ILE A 36 4.356 -7.415 2.683 1.00 0.00 H new ATOM 0 HB ILE A 36 5.267 -9.926 1.192 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.251 -7.322 0.005 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.914 -7.874 -0.049 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.892 -9.983 0.437 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.016 -10.042 2.212 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.562 -8.524 1.402 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.779 -8.304 -2.162 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.235 -9.833 -1.374 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.547 -9.273 -1.320 1.00 0.00 H new ATOM 511 N ASP A 37 4.019 -9.256 4.414 1.00 0.00 N ATOM 512 CA ASP A 37 3.850 -10.243 5.449 1.00 0.00 C ATOM 513 C ASP A 37 2.454 -10.767 5.320 1.00 0.00 C ATOM 514 O ASP A 37 1.533 -10.095 5.659 1.00 0.00 O ATOM 515 CB ASP A 37 4.044 -9.667 6.853 1.00 0.00 C ATOM 516 CG ASP A 37 4.107 -10.766 7.890 1.00 0.00 C ATOM 517 OD1 ASP A 37 5.217 -11.277 8.154 1.00 0.00 O ATOM 518 OD2 ASP A 37 3.066 -11.138 8.453 1.00 0.00 O ATOM 0 H ASP A 37 3.231 -8.616 4.314 1.00 0.00 H new ATOM 0 HA ASP A 37 4.603 -11.021 5.326 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.962 -9.080 6.885 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.224 -8.989 7.087 1.00 0.00 H new ATOM 523 N TYR A 38 2.311 -11.952 4.835 1.00 0.00 N ATOM 524 CA TYR A 38 1.017 -12.529 4.563 1.00 0.00 C ATOM 525 C TYR A 38 0.522 -13.191 5.827 1.00 0.00 C ATOM 526 O TYR A 38 -0.673 -13.408 5.994 1.00 0.00 O ATOM 527 CB TYR A 38 1.079 -13.606 3.468 1.00 0.00 C ATOM 528 CG TYR A 38 1.778 -13.259 2.167 1.00 0.00 C ATOM 529 CD1 TYR A 38 3.159 -13.356 2.041 1.00 0.00 C ATOM 530 CD2 TYR A 38 1.044 -12.899 1.048 1.00 0.00 C ATOM 531 CE1 TYR A 38 3.785 -13.103 0.838 1.00 0.00 C ATOM 532 CE2 TYR A 38 1.664 -12.633 -0.158 1.00 0.00 C ATOM 533 CZ TYR A 38 3.031 -12.740 -0.257 1.00 0.00 C ATOM 534 OH TYR A 38 3.646 -12.506 -1.464 1.00 0.00 O ATOM 0 H TYR A 38 3.094 -12.565 4.609 1.00 0.00 H new ATOM 0 HA TYR A 38 0.358 -11.730 4.224 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.572 -14.482 3.889 1.00 0.00 H new ATOM 0 HB3 TYR A 38 0.057 -13.899 3.230 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.752 -13.634 2.900 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.031 -12.825 1.120 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.858 -13.189 0.755 1.00 0.00 H new ATOM 0 HE2 TYR A 38 1.078 -12.343 -1.018 1.00 0.00 H new ATOM 0 HH TYR A 38 2.972 -12.261 -2.132 1.00 0.00 H new ATOM 544 N GLU A 39 1.465 -13.510 6.712 1.00 0.00 N ATOM 545 CA GLU A 39 1.174 -14.159 7.975 1.00 0.00 C ATOM 546 C GLU A 39 0.227 -13.298 8.795 1.00 0.00 C ATOM 547 O GLU A 39 -0.834 -13.767 9.243 1.00 0.00 O ATOM 548 CB GLU A 39 2.476 -14.430 8.721 1.00 0.00 C ATOM 549 CG GLU A 39 2.306 -15.030 10.097 1.00 0.00 C ATOM 550 CD GLU A 39 3.622 -15.341 10.740 1.00 0.00 C ATOM 551 OE1 GLU A 39 4.389 -14.395 11.044 1.00 0.00 O ATOM 552 OE2 GLU A 39 3.910 -16.545 10.966 1.00 0.00 O ATOM 0 H GLU A 39 2.457 -13.321 6.565 1.00 0.00 H new ATOM 0 HA GLU A 39 0.681 -15.114 7.795 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.089 -15.102 8.120 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.026 -13.494 8.814 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.749 -14.338 10.728 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.714 -15.942 10.024 1.00 0.00 H new ATOM 559 N GLU A 40 0.597 -12.056 8.983 1.00 0.00 N ATOM 560 CA GLU A 40 -0.275 -11.114 9.621 1.00 0.00 C ATOM 561 C GLU A 40 -1.203 -10.550 8.556 1.00 0.00 C ATOM 562 O GLU A 40 -2.383 -10.281 8.793 1.00 0.00 O ATOM 563 CB GLU A 40 0.527 -10.000 10.305 1.00 0.00 C ATOM 564 CG GLU A 40 -0.340 -9.034 11.066 1.00 0.00 C ATOM 565 CD GLU A 40 0.360 -8.341 12.205 1.00 0.00 C ATOM 566 OE1 GLU A 40 0.865 -9.024 13.111 1.00 0.00 O ATOM 567 OE2 GLU A 40 0.366 -7.113 12.255 1.00 0.00 O ATOM 0 H GLU A 40 1.501 -11.677 8.700 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.857 -11.605 10.401 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.250 -10.447 10.988 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.095 -9.454 9.552 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.718 -8.281 10.375 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.204 -9.570 11.458 1.00 0.00 H new ATOM 574 N GLY A 41 -0.664 -10.439 7.375 1.00 0.00 N ATOM 575 CA GLY A 41 -1.394 -9.952 6.254 1.00 0.00 C ATOM 576 C GLY A 41 -1.276 -8.464 6.126 1.00 0.00 C ATOM 577 O GLY A 41 -2.265 -7.739 6.061 1.00 0.00 O ATOM 0 H GLY A 41 0.303 -10.688 7.168 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.026 -10.427 5.345 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.444 -10.227 6.355 1.00 0.00 H new ATOM 581 N LYS A 42 -0.055 -8.028 6.083 1.00 0.00 N ATOM 582 CA LYS A 42 0.309 -6.652 5.986 1.00 0.00 C ATOM 583 C LYS A 42 1.290 -6.537 4.841 1.00 0.00 C ATOM 584 O LYS A 42 1.782 -7.550 4.330 1.00 0.00 O ATOM 585 CB LYS A 42 1.099 -6.216 7.223 1.00 0.00 C ATOM 586 CG LYS A 42 0.527 -6.554 8.570 1.00 0.00 C ATOM 587 CD LYS A 42 1.413 -5.981 9.660 1.00 0.00 C ATOM 588 CE LYS A 42 2.816 -6.572 9.606 1.00 0.00 C ATOM 589 NZ LYS A 42 3.710 -5.998 10.627 1.00 0.00 N ATOM 0 H LYS A 42 0.751 -8.653 6.116 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.594 -6.053 5.868 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.093 -6.659 7.160 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.228 -5.135 7.175 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.482 -6.151 8.659 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.449 -7.635 8.682 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.469 -4.898 9.553 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.969 -6.183 10.635 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.758 -7.652 9.745 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.241 -6.400 8.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.651 -6.433 10.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.790 -4.971 10.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.321 -6.184 11.573 1.00 0.00 H new ATOM 603 N MET A 43 1.592 -5.351 4.461 1.00 0.00 N ATOM 604 CA MET A 43 2.654 -5.115 3.536 1.00 0.00 C ATOM 605 C MET A 43 3.278 -3.802 3.920 1.00 0.00 C ATOM 606 O MET A 43 2.641 -2.992 4.612 1.00 0.00 O ATOM 607 CB MET A 43 2.171 -5.085 2.063 1.00 0.00 C ATOM 608 CG MET A 43 1.587 -3.759 1.567 1.00 0.00 C ATOM 609 SD MET A 43 0.151 -3.169 2.485 1.00 0.00 S ATOM 610 CE MET A 43 -0.995 -4.510 2.232 1.00 0.00 C ATOM 0 H MET A 43 1.112 -4.509 4.780 1.00 0.00 H new ATOM 0 HA MET A 43 3.373 -5.932 3.589 1.00 0.00 H new ATOM 0 HB2 MET A 43 3.012 -5.350 1.422 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.416 -5.861 1.935 1.00 0.00 H new ATOM 0 HG2 MET A 43 2.366 -2.997 1.611 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.309 -3.871 0.519 1.00 0.00 H new ATOM 0 HE1 MET A 43 -1.976 -4.108 1.978 1.00 0.00 H new ATOM 0 HE2 MET A 43 -0.641 -5.143 1.418 1.00 0.00 H new ATOM 0 HE3 MET A 43 -1.071 -5.101 3.145 1.00 0.00 H new ATOM 620 N LEU A 44 4.502 -3.603 3.552 1.00 0.00 N ATOM 621 CA LEU A 44 5.130 -2.350 3.799 1.00 0.00 C ATOM 622 C LEU A 44 4.803 -1.502 2.613 1.00 0.00 C ATOM 623 O LEU A 44 5.383 -1.675 1.531 1.00 0.00 O ATOM 624 CB LEU A 44 6.668 -2.491 3.986 1.00 0.00 C ATOM 625 CG LEU A 44 7.449 -1.261 4.565 1.00 0.00 C ATOM 626 CD1 LEU A 44 8.893 -1.616 4.830 1.00 0.00 C ATOM 627 CD2 LEU A 44 7.396 -0.037 3.663 1.00 0.00 C ATOM 0 H LEU A 44 5.085 -4.293 3.079 1.00 0.00 H new ATOM 0 HA LEU A 44 4.770 -1.908 4.728 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.849 -3.342 4.642 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.102 -2.738 3.017 1.00 0.00 H new ATOM 0 HG LEU A 44 6.947 -1.006 5.498 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.414 -0.747 5.231 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.941 -2.432 5.551 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.368 -1.926 3.899 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.956 0.778 4.122 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.835 -0.279 2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.359 0.268 3.525 1.00 0.00 H new ATOM 639 N VAL A 45 3.857 -0.668 2.777 1.00 0.00 N ATOM 640 CA VAL A 45 3.472 0.206 1.758 1.00 0.00 C ATOM 641 C VAL A 45 4.307 1.468 1.811 1.00 0.00 C ATOM 642 O VAL A 45 4.290 2.241 2.789 1.00 0.00 O ATOM 643 CB VAL A 45 1.922 0.482 1.710 1.00 0.00 C ATOM 644 CG1 VAL A 45 1.342 0.793 3.073 1.00 0.00 C ATOM 645 CG2 VAL A 45 1.610 1.613 0.758 1.00 0.00 C ATOM 0 H VAL A 45 3.321 -0.574 3.640 1.00 0.00 H new ATOM 0 HA VAL A 45 3.675 -0.289 0.808 1.00 0.00 H new ATOM 0 HB VAL A 45 1.456 -0.437 1.355 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.271 0.975 2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.510 -0.052 3.741 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.826 1.680 3.481 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.534 1.787 0.740 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.119 2.518 1.089 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.952 1.351 -0.243 1.00 0.00 H new ATOM 655 N HIS A 46 5.107 1.625 0.799 1.00 0.00 N ATOM 656 CA HIS A 46 5.879 2.807 0.659 1.00 0.00 C ATOM 657 C HIS A 46 5.174 3.738 -0.248 1.00 0.00 C ATOM 658 O HIS A 46 5.072 3.512 -1.468 1.00 0.00 O ATOM 659 CB HIS A 46 7.398 2.604 0.337 1.00 0.00 C ATOM 660 CG HIS A 46 7.802 1.783 -0.837 1.00 0.00 C ATOM 661 ND1 HIS A 46 7.396 0.583 -1.256 1.00 0.00 N flip ATOM 662 CD2 HIS A 46 8.881 2.101 -1.618 1.00 0.00 C flip ATOM 663 CE1 HIS A 46 8.231 0.199 -2.260 1.00 0.00 C flip ATOM 664 NE2 HIS A 46 9.112 1.133 -2.451 1.00 0.00 N flip ATOM 0 H HIS A 46 5.237 0.938 0.056 1.00 0.00 H new ATOM 0 HA HIS A 46 5.949 3.264 1.646 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.838 3.593 0.209 1.00 0.00 H new ATOM 0 HB3 HIS A 46 7.861 2.161 1.219 1.00 0.00 H new ATOM 0 HD2 HIS A 46 9.451 3.016 -1.551 1.00 0.00 H new ATOM 0 HE1 HIS A 46 8.170 -0.730 -2.808 1.00 0.00 H new ATOM 0 HE2 HIS A 46 9.862 1.110 -3.142 1.00 0.00 H new ATOM 673 N PHE A 47 4.585 4.714 0.384 1.00 0.00 N ATOM 674 CA PHE A 47 3.785 5.727 -0.250 1.00 0.00 C ATOM 675 C PHE A 47 4.670 6.583 -1.098 1.00 0.00 C ATOM 676 O PHE A 47 4.316 6.934 -2.223 1.00 0.00 O ATOM 677 CB PHE A 47 3.084 6.600 0.829 1.00 0.00 C ATOM 678 CG PHE A 47 2.128 5.845 1.708 1.00 0.00 C ATOM 679 CD1 PHE A 47 2.590 5.019 2.715 1.00 0.00 C ATOM 680 CD2 PHE A 47 0.770 5.953 1.510 1.00 0.00 C ATOM 681 CE1 PHE A 47 1.714 4.315 3.511 1.00 0.00 C ATOM 682 CE2 PHE A 47 -0.115 5.250 2.297 1.00 0.00 C ATOM 683 CZ PHE A 47 0.356 4.428 3.300 1.00 0.00 C ATOM 0 H PHE A 47 4.651 4.831 1.395 1.00 0.00 H new ATOM 0 HA PHE A 47 3.022 5.257 -0.871 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.846 7.065 1.455 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.544 7.406 0.333 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.653 4.924 2.880 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.394 6.597 0.728 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.089 3.677 4.297 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.178 5.342 2.129 1.00 0.00 H new ATOM 0 HZ PHE A 47 -0.336 3.875 3.918 1.00 0.00 H new ATOM 693 N GLU A 48 5.839 6.925 -0.527 1.00 0.00 N ATOM 694 CA GLU A 48 6.869 7.805 -1.127 1.00 0.00 C ATOM 695 C GLU A 48 6.395 9.254 -1.255 1.00 0.00 C ATOM 696 O GLU A 48 7.196 10.194 -1.248 1.00 0.00 O ATOM 697 CB GLU A 48 7.394 7.280 -2.465 1.00 0.00 C ATOM 698 CG GLU A 48 7.978 5.885 -2.386 1.00 0.00 C ATOM 699 CD GLU A 48 8.741 5.525 -3.620 1.00 0.00 C ATOM 700 OE1 GLU A 48 8.140 5.156 -4.619 1.00 0.00 O ATOM 701 OE2 GLU A 48 9.984 5.598 -3.596 1.00 0.00 O ATOM 0 H GLU A 48 6.106 6.587 0.397 1.00 0.00 H new ATOM 0 HA GLU A 48 7.705 7.792 -0.428 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.581 7.283 -3.191 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.157 7.963 -2.839 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.636 5.816 -1.520 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.175 5.164 -2.234 1.00 0.00 H new ATOM 708 N ARG A 49 5.100 9.426 -1.378 1.00 0.00 N ATOM 709 CA ARG A 49 4.472 10.709 -1.463 1.00 0.00 C ATOM 710 C ARG A 49 4.543 11.409 -0.102 1.00 0.00 C ATOM 711 O ARG A 49 4.462 12.632 -0.020 1.00 0.00 O ATOM 712 CB ARG A 49 3.016 10.533 -1.903 1.00 0.00 C ATOM 713 CG ARG A 49 2.320 11.825 -2.288 1.00 0.00 C ATOM 714 CD ARG A 49 2.951 12.445 -3.526 1.00 0.00 C ATOM 715 NE ARG A 49 2.814 11.568 -4.697 1.00 0.00 N ATOM 716 CZ ARG A 49 3.754 11.369 -5.637 1.00 0.00 C ATOM 717 NH1 ARG A 49 4.939 11.982 -5.561 1.00 0.00 N ATOM 718 NH2 ARG A 49 3.502 10.549 -6.636 1.00 0.00 N ATOM 0 H ARG A 49 4.441 8.649 -1.422 1.00 0.00 H new ATOM 0 HA ARG A 49 4.990 11.326 -2.197 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.985 9.850 -2.752 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.459 10.061 -1.094 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.264 11.630 -2.474 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.373 12.530 -1.458 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.480 13.406 -3.733 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.007 12.641 -3.338 1.00 0.00 H new ATOM 0 HE ARG A 49 1.931 11.068 -4.806 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.139 12.610 -4.783 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.643 11.822 -6.281 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.601 10.073 -6.690 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.207 10.390 -7.355 1.00 0.00 H new ATOM 732 N TRP A 50 4.684 10.630 0.962 1.00 0.00 N ATOM 733 CA TRP A 50 4.839 11.207 2.267 1.00 0.00 C ATOM 734 C TRP A 50 6.105 10.696 2.925 1.00 0.00 C ATOM 735 O TRP A 50 6.661 9.667 2.504 1.00 0.00 O ATOM 736 CB TRP A 50 3.594 11.018 3.193 1.00 0.00 C ATOM 737 CG TRP A 50 3.276 9.632 3.769 1.00 0.00 C ATOM 738 CD1 TRP A 50 4.134 8.601 4.117 1.00 0.00 C ATOM 739 CD2 TRP A 50 1.983 9.198 4.169 1.00 0.00 C ATOM 740 NE1 TRP A 50 3.432 7.578 4.686 1.00 0.00 N ATOM 741 CE2 TRP A 50 2.112 7.914 4.723 1.00 0.00 C ATOM 742 CE3 TRP A 50 0.723 9.769 4.099 1.00 0.00 C ATOM 743 CZ2 TRP A 50 1.029 7.205 5.208 1.00 0.00 C ATOM 744 CZ3 TRP A 50 -0.343 9.061 4.577 1.00 0.00 C ATOM 745 CH2 TRP A 50 -0.187 7.792 5.124 1.00 0.00 C ATOM 0 H TRP A 50 4.693 9.610 0.937 1.00 0.00 H new ATOM 0 HA TRP A 50 4.926 12.284 2.120 1.00 0.00 H new ATOM 0 HB2 TRP A 50 3.708 11.702 4.034 1.00 0.00 H new ATOM 0 HB3 TRP A 50 2.719 11.346 2.632 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.203 8.606 3.961 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.831 6.704 5.028 1.00 0.00 H new ATOM 0 HE3 TRP A 50 0.586 10.753 3.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.149 6.221 5.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -1.330 9.497 4.529 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.055 7.264 5.490 1.00 0.00 H new ATOM 756 N SER A 51 6.549 11.403 3.930 1.00 0.00 N ATOM 757 CA SER A 51 7.708 11.026 4.700 1.00 0.00 C ATOM 758 C SER A 51 7.475 11.346 6.175 1.00 0.00 C ATOM 759 O SER A 51 8.422 11.431 6.966 1.00 0.00 O ATOM 760 CB SER A 51 8.956 11.746 4.142 1.00 0.00 C ATOM 761 OG SER A 51 8.703 13.142 3.913 1.00 0.00 O ATOM 0 H SER A 51 6.111 12.269 4.242 1.00 0.00 H new ATOM 0 HA SER A 51 7.878 9.952 4.619 1.00 0.00 H new ATOM 0 HB2 SER A 51 9.784 11.636 4.842 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.263 11.273 3.209 1.00 0.00 H new ATOM 0 HG SER A 51 9.513 13.568 3.562 1.00 0.00 H new ATOM 767 N HIS A 52 6.189 11.466 6.531 1.00 0.00 N ATOM 768 CA HIS A 52 5.750 11.852 7.878 1.00 0.00 C ATOM 769 C HIS A 52 6.281 10.874 8.944 1.00 0.00 C ATOM 770 O HIS A 52 7.062 11.264 9.807 1.00 0.00 O ATOM 771 CB HIS A 52 4.202 11.964 7.919 1.00 0.00 C ATOM 772 CG HIS A 52 3.621 12.544 9.189 1.00 0.00 C ATOM 773 ND1 HIS A 52 3.079 13.809 9.258 1.00 0.00 N ATOM 774 CD2 HIS A 52 3.464 12.012 10.424 1.00 0.00 C ATOM 775 CE1 HIS A 52 2.624 14.027 10.471 1.00 0.00 C ATOM 776 NE2 HIS A 52 2.842 12.956 11.195 1.00 0.00 N ATOM 0 H HIS A 52 5.417 11.296 5.886 1.00 0.00 H new ATOM 0 HA HIS A 52 6.169 12.830 8.114 1.00 0.00 H new ATOM 0 HB2 HIS A 52 3.878 12.579 7.079 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.780 10.970 7.769 1.00 0.00 H new ATOM 0 HD2 HIS A 52 3.772 11.027 10.741 1.00 0.00 H new ATOM 0 HE1 HIS A 52 2.150 14.935 10.814 1.00 0.00 H new ATOM 0 HE2 HIS A 52 2.588 12.844 12.177 1.00 0.00 H new ATOM 785 N ARG A 53 5.860 9.630 8.889 1.00 0.00 N ATOM 786 CA ARG A 53 6.363 8.635 9.811 1.00 0.00 C ATOM 787 C ARG A 53 6.824 7.386 9.054 1.00 0.00 C ATOM 788 O ARG A 53 6.084 6.391 8.921 1.00 0.00 O ATOM 789 CB ARG A 53 5.367 8.308 10.969 1.00 0.00 C ATOM 790 CG ARG A 53 4.046 7.663 10.563 1.00 0.00 C ATOM 791 CD ARG A 53 3.197 7.326 11.776 1.00 0.00 C ATOM 792 NE ARG A 53 2.113 6.402 11.432 1.00 0.00 N ATOM 793 CZ ARG A 53 1.061 6.096 12.187 1.00 0.00 C ATOM 794 NH1 ARG A 53 0.816 6.747 13.319 1.00 0.00 N ATOM 795 NH2 ARG A 53 0.246 5.125 11.783 1.00 0.00 N ATOM 0 H ARG A 53 5.173 9.284 8.219 1.00 0.00 H new ATOM 0 HA ARG A 53 7.234 9.064 10.307 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.868 7.646 11.675 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.146 9.233 11.502 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.496 8.339 9.908 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.243 6.756 9.992 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.824 6.881 12.548 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.778 8.241 12.194 1.00 0.00 H new ATOM 0 HE ARG A 53 2.171 5.947 10.521 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.439 7.495 13.622 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.005 6.499 13.885 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.434 4.632 10.910 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.566 4.874 12.346 1.00 0.00 H new ATOM 809 N TYR A 54 8.051 7.475 8.521 1.00 0.00 N ATOM 810 CA TYR A 54 8.688 6.410 7.719 1.00 0.00 C ATOM 811 C TYR A 54 7.763 6.033 6.547 1.00 0.00 C ATOM 812 O TYR A 54 6.958 6.861 6.066 1.00 0.00 O ATOM 813 CB TYR A 54 8.937 5.148 8.601 1.00 0.00 C ATOM 814 CG TYR A 54 9.717 5.384 9.881 1.00 0.00 C ATOM 815 CD1 TYR A 54 9.062 5.756 11.044 1.00 0.00 C ATOM 816 CD2 TYR A 54 11.096 5.225 9.931 1.00 0.00 C ATOM 817 CE1 TYR A 54 9.745 5.969 12.213 1.00 0.00 C ATOM 818 CE2 TYR A 54 11.791 5.439 11.110 1.00 0.00 C ATOM 819 CZ TYR A 54 11.104 5.815 12.248 1.00 0.00 C ATOM 820 OH TYR A 54 11.781 6.037 13.435 1.00 0.00 O ATOM 0 H TYR A 54 8.641 8.299 8.634 1.00 0.00 H new ATOM 0 HA TYR A 54 9.642 6.775 7.339 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.972 4.712 8.860 1.00 0.00 H new ATOM 0 HB3 TYR A 54 9.470 4.409 8.003 1.00 0.00 H new ATOM 0 HD1 TYR A 54 7.989 5.881 11.029 1.00 0.00 H new ATOM 0 HD2 TYR A 54 11.632 4.931 9.041 1.00 0.00 H new ATOM 0 HE1 TYR A 54 9.211 6.258 13.106 1.00 0.00 H new ATOM 0 HE2 TYR A 54 12.863 5.313 11.139 1.00 0.00 H new ATOM 0 HH TYR A 54 12.740 5.886 13.298 1.00 0.00 H new ATOM 830 N ASP A 55 7.955 4.862 6.023 1.00 0.00 N ATOM 831 CA ASP A 55 6.975 4.266 5.154 1.00 0.00 C ATOM 832 C ASP A 55 6.236 3.297 6.023 1.00 0.00 C ATOM 833 O ASP A 55 6.739 2.966 7.107 1.00 0.00 O ATOM 834 CB ASP A 55 7.581 3.626 3.916 1.00 0.00 C ATOM 835 CG ASP A 55 8.167 4.666 2.988 1.00 0.00 C ATOM 836 OD1 ASP A 55 7.413 5.273 2.175 1.00 0.00 O ATOM 837 OD2 ASP A 55 9.397 4.901 3.044 1.00 0.00 O ATOM 0 H ASP A 55 8.786 4.292 6.181 1.00 0.00 H new ATOM 0 HA ASP A 55 6.305 5.014 4.731 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.358 2.921 4.212 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.817 3.055 3.389 1.00 0.00 H new ATOM 842 N GLU A 56 5.112 2.804 5.627 1.00 0.00 N ATOM 843 CA GLU A 56 4.290 2.190 6.638 1.00 0.00 C ATOM 844 C GLU A 56 3.775 0.796 6.302 1.00 0.00 C ATOM 845 O GLU A 56 3.464 0.503 5.178 1.00 0.00 O ATOM 846 CB GLU A 56 3.183 3.192 7.002 1.00 0.00 C ATOM 847 CG GLU A 56 2.208 2.737 8.055 1.00 0.00 C ATOM 848 CD GLU A 56 1.415 3.882 8.601 1.00 0.00 C ATOM 849 OE1 GLU A 56 1.895 4.539 9.534 1.00 0.00 O ATOM 850 OE2 GLU A 56 0.296 4.146 8.126 1.00 0.00 O ATOM 0 H GLU A 56 4.748 2.805 4.674 1.00 0.00 H new ATOM 0 HA GLU A 56 4.910 1.982 7.510 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.652 4.115 7.343 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.625 3.433 6.097 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.532 1.995 7.630 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.748 2.248 8.866 1.00 0.00 H new ATOM 857 N TRP A 57 3.752 -0.070 7.302 1.00 0.00 N ATOM 858 CA TRP A 57 3.180 -1.404 7.171 1.00 0.00 C ATOM 859 C TRP A 57 1.713 -1.335 7.494 1.00 0.00 C ATOM 860 O TRP A 57 1.346 -0.905 8.593 1.00 0.00 O ATOM 861 CB TRP A 57 3.782 -2.390 8.159 1.00 0.00 C ATOM 862 CG TRP A 57 5.200 -2.800 7.946 1.00 0.00 C ATOM 863 CD1 TRP A 57 6.323 -2.123 8.312 1.00 0.00 C ATOM 864 CD2 TRP A 57 5.642 -4.030 7.363 1.00 0.00 C ATOM 865 NE1 TRP A 57 7.438 -2.856 7.987 1.00 0.00 N ATOM 866 CE2 TRP A 57 7.045 -4.030 7.400 1.00 0.00 C ATOM 867 CE3 TRP A 57 4.980 -5.128 6.807 1.00 0.00 C ATOM 868 CZ2 TRP A 57 7.800 -5.090 6.910 1.00 0.00 C ATOM 869 CZ3 TRP A 57 5.729 -6.178 6.318 1.00 0.00 C ATOM 870 CH2 TRP A 57 7.125 -6.154 6.374 1.00 0.00 C ATOM 0 H TRP A 57 4.129 0.130 8.228 1.00 0.00 H new ATOM 0 HA TRP A 57 3.380 -1.737 6.153 1.00 0.00 H new ATOM 0 HB2 TRP A 57 3.703 -1.957 9.156 1.00 0.00 H new ATOM 0 HB3 TRP A 57 3.167 -3.290 8.153 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.335 -1.153 8.787 1.00 0.00 H new ATOM 0 HE1 TRP A 57 8.403 -2.572 8.155 1.00 0.00 H new ATOM 0 HE3 TRP A 57 3.901 -5.154 6.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 8.879 -5.075 6.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 5.229 -7.032 5.885 1.00 0.00 H new ATOM 0 HH2 TRP A 57 7.684 -6.993 5.986 1.00 0.00 H new ATOM 881 N ILE A 58 0.870 -1.736 6.583 1.00 0.00 N ATOM 882 CA ILE A 58 -0.559 -1.733 6.840 1.00 0.00 C ATOM 883 C ILE A 58 -1.148 -3.037 6.256 1.00 0.00 C ATOM 884 O ILE A 58 -0.464 -3.731 5.520 1.00 0.00 O ATOM 885 CB ILE A 58 -1.273 -0.457 6.233 1.00 0.00 C ATOM 886 CG1 ILE A 58 -0.454 0.820 6.514 1.00 0.00 C ATOM 887 CG2 ILE A 58 -2.657 -0.284 6.854 1.00 0.00 C ATOM 888 CD1 ILE A 58 -1.042 2.094 5.941 1.00 0.00 C ATOM 0 H ILE A 58 1.138 -2.069 5.657 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.733 -1.687 7.915 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.356 -0.606 5.157 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.351 0.938 7.593 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.550 0.687 6.110 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.139 0.597 6.429 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.263 -1.166 6.644 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.559 -0.159 7.932 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.397 2.937 6.190 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.119 2.004 4.857 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.033 2.259 6.363 1.00 0.00 H new ATOM 900 N TYR A 59 -2.365 -3.381 6.627 1.00 0.00 N ATOM 901 CA TYR A 59 -3.036 -4.611 6.167 1.00 0.00 C ATOM 902 C TYR A 59 -3.687 -4.399 4.792 1.00 0.00 C ATOM 903 O TYR A 59 -4.004 -3.252 4.447 1.00 0.00 O ATOM 904 CB TYR A 59 -4.090 -5.046 7.188 1.00 0.00 C ATOM 905 CG TYR A 59 -3.551 -5.282 8.575 1.00 0.00 C ATOM 906 CD1 TYR A 59 -3.453 -4.244 9.496 1.00 0.00 C ATOM 907 CD2 TYR A 59 -3.137 -6.537 8.964 1.00 0.00 C ATOM 908 CE1 TYR A 59 -2.955 -4.463 10.758 1.00 0.00 C ATOM 909 CE2 TYR A 59 -2.638 -6.759 10.221 1.00 0.00 C ATOM 910 CZ TYR A 59 -2.547 -5.724 11.112 1.00 0.00 C ATOM 911 OH TYR A 59 -2.037 -5.956 12.365 1.00 0.00 O ATOM 0 H TYR A 59 -2.933 -2.819 7.261 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.286 -5.396 6.071 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.867 -4.283 7.238 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.565 -5.962 6.835 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.773 -3.251 9.215 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.207 -7.359 8.267 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.885 -3.649 11.465 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.317 -7.749 10.508 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.087 -6.184 12.294 1.00 0.00 H new ATOM 921 N TRP A 60 -3.951 -5.531 4.070 1.00 0.00 N ATOM 922 CA TRP A 60 -4.430 -5.576 2.640 1.00 0.00 C ATOM 923 C TRP A 60 -5.517 -4.548 2.334 1.00 0.00 C ATOM 924 O TRP A 60 -5.420 -3.805 1.372 1.00 0.00 O ATOM 925 CB TRP A 60 -4.992 -6.956 2.272 1.00 0.00 C ATOM 926 CG TRP A 60 -4.179 -8.138 2.701 1.00 0.00 C ATOM 927 CD1 TRP A 60 -4.570 -9.069 3.603 1.00 0.00 C ATOM 928 CD2 TRP A 60 -2.859 -8.529 2.272 1.00 0.00 C ATOM 929 NE1 TRP A 60 -3.608 -10.020 3.753 1.00 0.00 N ATOM 930 CE2 TRP A 60 -2.544 -9.714 2.959 1.00 0.00 C ATOM 931 CE3 TRP A 60 -1.917 -8.006 1.381 1.00 0.00 C ATOM 932 CZ2 TRP A 60 -1.343 -10.382 2.789 1.00 0.00 C ATOM 933 CZ3 TRP A 60 -0.717 -8.683 1.222 1.00 0.00 C ATOM 934 CH2 TRP A 60 -0.447 -9.853 1.919 1.00 0.00 C ATOM 0 H TRP A 60 -3.836 -6.462 4.470 1.00 0.00 H new ATOM 0 HA TRP A 60 -3.544 -5.347 2.048 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -5.987 -7.048 2.708 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -5.114 -6.999 1.190 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -5.513 -9.058 4.130 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -3.673 -10.834 4.364 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -2.118 -7.099 0.831 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -1.127 -11.292 3.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 0.024 -8.291 0.541 1.00 0.00 H new ATOM 0 HH2 TRP A 60 0.498 -10.353 1.765 1.00 0.00 H new ATOM 945 N ASP A 61 -6.562 -4.569 3.110 1.00 0.00 N ATOM 946 CA ASP A 61 -7.630 -3.603 3.003 1.00 0.00 C ATOM 947 C ASP A 61 -8.177 -3.340 4.350 1.00 0.00 C ATOM 948 O ASP A 61 -9.174 -3.897 4.793 1.00 0.00 O ATOM 949 CB ASP A 61 -8.729 -3.909 1.942 1.00 0.00 C ATOM 950 CG ASP A 61 -9.401 -5.265 2.069 1.00 0.00 C ATOM 951 OD1 ASP A 61 -8.803 -6.293 1.673 1.00 0.00 O ATOM 952 OD2 ASP A 61 -10.563 -5.328 2.545 1.00 0.00 O ATOM 0 H ASP A 61 -6.703 -5.263 3.844 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.185 -2.693 2.600 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.495 -3.136 2.005 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.282 -3.836 0.950 1.00 0.00 H new ATOM 957 N SER A 62 -7.435 -2.555 5.026 1.00 0.00 N ATOM 958 CA SER A 62 -7.677 -2.177 6.361 1.00 0.00 C ATOM 959 C SER A 62 -8.584 -0.946 6.440 1.00 0.00 C ATOM 960 O SER A 62 -9.804 -1.056 6.637 1.00 0.00 O ATOM 961 CB SER A 62 -6.310 -1.907 6.958 1.00 0.00 C ATOM 962 OG SER A 62 -5.489 -1.260 5.965 1.00 0.00 O ATOM 0 H SER A 62 -6.591 -2.133 4.639 1.00 0.00 H new ATOM 0 HA SER A 62 -8.203 -2.958 6.910 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.402 -1.275 7.841 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.848 -2.840 7.280 1.00 0.00 H new ATOM 0 HG SER A 62 -4.933 -1.929 5.514 1.00 0.00 H new ATOM 968 N ASN A 63 -7.986 0.203 6.245 1.00 0.00 N ATOM 969 CA ASN A 63 -8.671 1.485 6.299 1.00 0.00 C ATOM 970 C ASN A 63 -7.996 2.438 5.338 1.00 0.00 C ATOM 971 O ASN A 63 -8.194 3.647 5.394 1.00 0.00 O ATOM 972 CB ASN A 63 -8.612 2.075 7.734 1.00 0.00 C ATOM 973 CG ASN A 63 -7.184 2.340 8.239 1.00 0.00 C ATOM 974 OD1 ASN A 63 -6.618 3.411 8.019 1.00 0.00 O ATOM 975 ND2 ASN A 63 -6.610 1.390 8.941 1.00 0.00 N ATOM 0 H ASN A 63 -6.990 0.282 6.040 1.00 0.00 H new ATOM 0 HA ASN A 63 -9.716 1.344 6.024 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -9.174 3.009 7.756 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.108 1.388 8.420 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -5.673 1.530 9.319 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.101 0.512 9.109 1.00 0.00 H new ATOM 982 N ARG A 64 -7.259 1.877 4.400 1.00 0.00 N ATOM 983 CA ARG A 64 -6.430 2.666 3.507 1.00 0.00 C ATOM 984 C ARG A 64 -5.888 1.860 2.342 1.00 0.00 C ATOM 985 O ARG A 64 -5.628 2.398 1.306 1.00 0.00 O ATOM 986 CB ARG A 64 -5.261 3.307 4.264 1.00 0.00 C ATOM 987 CG ARG A 64 -4.223 3.941 3.389 1.00 0.00 C ATOM 988 CD ARG A 64 -3.150 4.564 4.242 1.00 0.00 C ATOM 989 NE ARG A 64 -3.680 5.702 5.003 1.00 0.00 N ATOM 990 CZ ARG A 64 -3.180 6.197 6.145 1.00 0.00 C ATOM 991 NH1 ARG A 64 -2.086 5.667 6.697 1.00 0.00 N ATOM 992 NH2 ARG A 64 -3.777 7.223 6.726 1.00 0.00 N ATOM 0 H ARG A 64 -7.217 0.871 4.235 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.079 3.443 3.104 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.656 4.063 4.943 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.782 2.545 4.879 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -3.786 3.193 2.727 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -4.682 4.699 2.755 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.747 3.819 4.928 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.325 4.896 3.611 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.509 6.161 4.627 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.621 4.877 6.250 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.715 6.052 7.566 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.611 7.632 6.306 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -3.403 7.605 7.595 1.00 0.00 H new ATOM 1006 N LEU A 65 -5.692 0.601 2.512 1.00 0.00 N ATOM 1007 CA LEU A 65 -5.087 -0.181 1.447 1.00 0.00 C ATOM 1008 C LEU A 65 -6.123 -0.846 0.567 1.00 0.00 C ATOM 1009 O LEU A 65 -7.229 -1.161 1.022 1.00 0.00 O ATOM 1010 CB LEU A 65 -4.070 -1.185 2.011 1.00 0.00 C ATOM 1011 CG LEU A 65 -2.660 -0.660 2.307 1.00 0.00 C ATOM 1012 CD1 LEU A 65 -2.005 -0.191 1.040 1.00 0.00 C ATOM 1013 CD2 LEU A 65 -2.682 0.459 3.307 1.00 0.00 C ATOM 0 H LEU A 65 -5.930 0.080 3.356 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.541 0.508 0.803 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.478 -1.597 2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.982 -2.010 1.305 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.087 -1.483 2.733 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.004 0.179 1.263 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.936 -1.021 0.337 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.598 0.610 0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.664 0.804 3.490 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.280 1.283 2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.118 0.104 4.241 1.00 0.00 H new ATOM 1025 N ARG A 66 -5.811 -0.981 -0.698 1.00 0.00 N ATOM 1026 CA ARG A 66 -6.677 -1.656 -1.618 1.00 0.00 C ATOM 1027 C ARG A 66 -5.886 -2.607 -2.503 1.00 0.00 C ATOM 1028 O ARG A 66 -4.875 -2.188 -3.188 1.00 0.00 O ATOM 1029 CB ARG A 66 -7.471 -0.687 -2.502 1.00 0.00 C ATOM 1030 CG ARG A 66 -8.544 -1.388 -3.317 1.00 0.00 C ATOM 1031 CD ARG A 66 -9.251 -0.466 -4.282 1.00 0.00 C ATOM 1032 NE ARG A 66 -10.351 -1.164 -4.965 1.00 0.00 N ATOM 1033 CZ ARG A 66 -10.685 -1.035 -6.254 1.00 0.00 C ATOM 1034 NH1 ARG A 66 -9.940 -0.296 -7.073 1.00 0.00 N ATOM 1035 NH2 ARG A 66 -11.751 -1.693 -6.720 1.00 0.00 N ATOM 0 H ARG A 66 -4.950 -0.625 -1.113 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.389 -2.217 -1.012 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.935 0.074 -1.875 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.787 -0.171 -3.176 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.091 -2.209 -3.873 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.277 -1.828 -2.640 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.641 0.399 -3.745 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.541 -0.090 -5.018 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.911 -1.806 -4.404 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.108 0.176 -6.719 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.201 -0.202 -8.055 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -12.299 -2.284 -6.095 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -12.017 -1.604 -7.701 1.00 0.00 H new ATOM 1049 N PRO A 67 -6.285 -3.902 -2.474 1.00 0.00 N ATOM 1050 CA PRO A 67 -5.742 -4.930 -3.333 1.00 0.00 C ATOM 1051 C PRO A 67 -6.235 -4.753 -4.761 1.00 0.00 C ATOM 1052 O PRO A 67 -7.120 -3.931 -5.024 1.00 0.00 O ATOM 1053 CB PRO A 67 -6.280 -6.249 -2.740 1.00 0.00 C ATOM 1054 CG PRO A 67 -6.853 -5.878 -1.419 1.00 0.00 C ATOM 1055 CD PRO A 67 -7.292 -4.460 -1.553 1.00 0.00 C ATOM 0 HA PRO A 67 -4.653 -4.902 -3.374 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.037 -6.692 -3.387 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.484 -6.985 -2.631 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -7.692 -6.525 -1.161 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -6.112 -5.985 -0.627 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.301 -4.384 -1.959 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.295 -3.943 -0.593 1.00 0.00 H new ATOM 1063 N LEU A 68 -5.680 -5.519 -5.666 1.00 0.00 N ATOM 1064 CA LEU A 68 -6.030 -5.419 -7.061 1.00 0.00 C ATOM 1065 C LEU A 68 -7.400 -6.051 -7.285 1.00 0.00 C ATOM 1066 O LEU A 68 -7.980 -6.670 -6.361 1.00 0.00 O ATOM 1067 CB LEU A 68 -4.948 -6.131 -7.916 1.00 0.00 C ATOM 1068 CG LEU A 68 -5.034 -5.990 -9.445 1.00 0.00 C ATOM 1069 CD1 LEU A 68 -4.899 -4.536 -9.862 1.00 0.00 C ATOM 1070 CD2 LEU A 68 -3.969 -6.841 -10.121 1.00 0.00 C ATOM 0 H LEU A 68 -4.976 -6.227 -5.458 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.076 -4.372 -7.361 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.973 -5.759 -7.600 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.977 -7.194 -7.676 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.014 -6.345 -9.764 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.963 -4.461 -10.948 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.701 -3.952 -9.410 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.936 -4.150 -9.528 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.046 -6.728 -11.202 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.982 -6.518 -9.791 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.116 -7.888 -9.854 1.00 0.00 H new ATOM 1082 N GLU A 69 -7.902 -5.932 -8.496 1.00 0.00 N ATOM 1083 CA GLU A 69 -9.166 -6.517 -8.909 1.00 0.00 C ATOM 1084 C GLU A 69 -9.121 -8.054 -8.868 1.00 0.00 C ATOM 1085 O GLU A 69 -10.144 -8.711 -9.077 1.00 0.00 O ATOM 1086 CB GLU A 69 -9.527 -6.022 -10.294 1.00 0.00 C ATOM 1087 CG GLU A 69 -8.478 -6.318 -11.348 1.00 0.00 C ATOM 1088 CD GLU A 69 -8.865 -5.769 -12.683 1.00 0.00 C ATOM 1089 OE1 GLU A 69 -9.931 -6.143 -13.206 1.00 0.00 O ATOM 1090 OE2 GLU A 69 -8.158 -4.889 -13.207 1.00 0.00 O ATOM 0 H GLU A 69 -7.434 -5.414 -9.240 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.937 -6.203 -8.205 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.470 -6.477 -10.597 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.692 -4.945 -10.252 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.523 -5.890 -11.042 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.334 -7.396 -11.426 1.00 0.00 H new ATOM 1097 N ARG A 70 -7.906 -8.583 -8.619 1.00 0.00 N ATOM 1098 CA ARG A 70 -7.621 -9.992 -8.384 1.00 0.00 C ATOM 1099 C ARG A 70 -7.579 -10.777 -9.690 1.00 0.00 C ATOM 1100 O ARG A 70 -8.532 -10.763 -10.446 1.00 0.00 O ATOM 1101 CB ARG A 70 -8.630 -10.586 -7.383 1.00 0.00 C ATOM 1102 CG ARG A 70 -8.272 -11.932 -6.816 1.00 0.00 C ATOM 1103 CD ARG A 70 -9.343 -12.401 -5.849 1.00 0.00 C ATOM 1104 NE ARG A 70 -9.598 -11.436 -4.751 1.00 0.00 N ATOM 1105 CZ ARG A 70 -10.567 -11.577 -3.824 1.00 0.00 C ATOM 1106 NH1 ARG A 70 -11.356 -12.657 -3.838 1.00 0.00 N ATOM 1107 NH2 ARG A 70 -10.750 -10.639 -2.891 1.00 0.00 N ATOM 0 H ARG A 70 -7.067 -8.005 -8.577 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.629 -10.072 -7.940 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.750 -9.885 -6.557 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -9.599 -10.666 -7.876 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.160 -12.656 -7.623 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.311 -11.874 -6.304 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -10.270 -12.572 -6.397 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -9.044 -13.358 -5.422 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.001 -10.611 -4.694 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -11.225 -13.375 -4.550 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -12.089 -12.762 -3.136 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.155 -9.811 -2.877 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -11.485 -10.751 -2.192 1.00 0.00 H new