USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 697 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: A 41 ASN : amide:sc= 0.971 K(o=1.2,f=0.62) USER MOD Set 1.2: A 55 THR OG1 : rot 180:sc= 0.238 USER MOD Set 2.1: A 13 HIS : no HD1:sc= -0.214 X(o=-0.14,f=0.038) USER MOD Set 2.2: A 39 THR OG1 : rot -120:sc= 0.0724 USER MOD Set 3.1: A 16 SER OG : rot 150:sc= 0.186 USER MOD Set 3.2: A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0432 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.138 X(o=-0.14,f=0) USER MOD Single : A 23 TYR OH : rot -162:sc= 0.0381 USER MOD Single : A 27 SER OG : rot -22:sc= 0.0448 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0173 USER MOD Single : A 37 ASN : amide:sc= -0.0534 X(o=-0.053,f=-0.5) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc=-0.00309 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -150:sc= 0.953 (180deg=0.453) USER MOD Single : A 76 THR OG1 : rot 155:sc= 1.32 USER MOD Single : A 83 GLN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 84 THR OG1 : rot 63:sc= 1.23 USER MOD Single : A 89 ASN : amide:sc= 1.89 K(o=1.9,f=-1.8!) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 75 N VAL A 6 6.512 -10.061 -9.241 1.00 0.00 N ATOM 76 CA VAL A 6 6.024 -10.591 -10.527 1.00 0.00 C ATOM 77 C VAL A 6 7.071 -10.483 -11.657 1.00 0.00 C ATOM 78 O VAL A 6 7.386 -11.523 -12.246 1.00 0.00 O ATOM 79 CB VAL A 6 4.657 -9.960 -10.881 1.00 0.00 C ATOM 80 CG1 VAL A 6 4.236 -10.170 -12.341 1.00 0.00 C ATOM 81 CG2 VAL A 6 3.562 -10.569 -9.998 1.00 0.00 C ATOM 0 HA VAL A 6 5.864 -11.663 -10.414 1.00 0.00 H new ATOM 0 HB VAL A 6 4.776 -8.889 -10.714 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.268 -9.699 -12.512 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.979 -9.723 -13.002 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.162 -11.238 -12.548 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.600 -10.122 -10.250 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.517 -11.645 -10.165 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.789 -10.374 -8.950 1.00 0.00 H new ATOM 91 N PRO A 7 7.636 -9.298 -11.984 1.00 0.00 N ATOM 92 CA PRO A 7 8.656 -9.173 -13.027 1.00 0.00 C ATOM 93 C PRO A 7 10.069 -9.536 -12.530 1.00 0.00 C ATOM 94 O PRO A 7 10.328 -9.670 -11.330 1.00 0.00 O ATOM 95 CB PRO A 7 8.578 -7.716 -13.485 1.00 0.00 C ATOM 96 CG PRO A 7 8.249 -6.997 -12.179 1.00 0.00 C ATOM 97 CD PRO A 7 7.292 -7.970 -11.485 1.00 0.00 C ATOM 0 HA PRO A 7 8.469 -9.873 -13.841 1.00 0.00 H new ATOM 0 HB2 PRO A 7 9.518 -7.372 -13.916 1.00 0.00 H new ATOM 0 HB3 PRO A 7 7.807 -7.565 -14.241 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.143 -6.814 -11.582 1.00 0.00 H new ATOM 0 HG3 PRO A 7 7.781 -6.029 -12.358 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.402 -7.920 -10.402 1.00 0.00 H new ATOM 0 HD3 PRO A 7 6.254 -7.725 -11.712 1.00 0.00 H new ATOM 105 N GLY A 8 10.998 -9.654 -13.483 1.00 0.00 N ATOM 106 CA GLY A 8 12.430 -9.893 -13.249 1.00 0.00 C ATOM 107 C GLY A 8 13.092 -10.741 -14.343 1.00 0.00 C ATOM 108 O GLY A 8 12.467 -11.653 -14.887 1.00 0.00 O ATOM 0 H GLY A 8 10.768 -9.584 -14.474 1.00 0.00 H new ATOM 0 HA2 GLY A 8 12.945 -8.935 -13.181 1.00 0.00 H new ATOM 0 HA3 GLY A 8 12.556 -10.391 -12.288 1.00 0.00 H new ATOM 112 N LEU A 9 14.358 -10.439 -14.676 1.00 0.00 N ATOM 113 CA LEU A 9 15.166 -11.203 -15.648 1.00 0.00 C ATOM 114 C LEU A 9 16.661 -11.322 -15.268 1.00 0.00 C ATOM 115 O LEU A 9 17.529 -11.369 -16.140 1.00 0.00 O ATOM 116 CB LEU A 9 14.868 -10.739 -17.097 1.00 0.00 C ATOM 117 CG LEU A 9 15.047 -9.251 -17.464 1.00 0.00 C ATOM 118 CD1 LEU A 9 16.498 -8.798 -17.591 1.00 0.00 C ATOM 119 CD2 LEU A 9 14.376 -8.965 -18.808 1.00 0.00 C ATOM 0 H LEU A 9 14.858 -9.647 -14.273 1.00 0.00 H new ATOM 0 HA LEU A 9 14.846 -12.244 -15.605 1.00 0.00 H new ATOM 0 HB2 LEU A 9 15.504 -11.320 -17.765 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.837 -11.011 -17.323 1.00 0.00 H new ATOM 0 HG LEU A 9 14.595 -8.703 -16.638 1.00 0.00 H new ATOM 0 HD11 LEU A 9 16.527 -7.740 -17.851 1.00 0.00 H new ATOM 0 HD12 LEU A 9 17.012 -8.953 -16.642 1.00 0.00 H new ATOM 0 HD13 LEU A 9 16.993 -9.377 -18.371 1.00 0.00 H new ATOM 0 HD21 LEU A 9 14.505 -7.913 -19.063 1.00 0.00 H new ATOM 0 HD22 LEU A 9 14.831 -9.584 -19.581 1.00 0.00 H new ATOM 0 HD23 LEU A 9 13.312 -9.194 -18.740 1.00 0.00 H new ATOM 131 N LEU A 10 16.962 -11.407 -13.961 1.00 0.00 N ATOM 132 CA LEU A 10 18.318 -11.691 -13.473 1.00 0.00 C ATOM 133 C LEU A 10 18.774 -13.044 -14.033 1.00 0.00 C ATOM 134 O LEU A 10 18.143 -14.076 -13.780 1.00 0.00 O ATOM 135 CB LEU A 10 18.381 -11.705 -11.930 1.00 0.00 C ATOM 136 CG LEU A 10 18.415 -10.312 -11.275 1.00 0.00 C ATOM 137 CD1 LEU A 10 17.808 -10.352 -9.872 1.00 0.00 C ATOM 138 CD2 LEU A 10 19.848 -9.792 -11.121 1.00 0.00 C ATOM 0 H LEU A 10 16.274 -11.281 -13.218 1.00 0.00 H new ATOM 0 HA LEU A 10 18.983 -10.898 -13.816 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.517 -12.249 -11.550 1.00 0.00 H new ATOM 0 HB3 LEU A 10 19.268 -12.259 -11.621 1.00 0.00 H new ATOM 0 HG LEU A 10 17.843 -9.657 -11.932 1.00 0.00 H new ATOM 0 HD11 LEU A 10 17.844 -9.356 -9.431 1.00 0.00 H new ATOM 0 HD12 LEU A 10 16.772 -10.684 -9.933 1.00 0.00 H new ATOM 0 HD13 LEU A 10 18.375 -11.045 -9.250 1.00 0.00 H new ATOM 0 HD21 LEU A 10 19.829 -8.807 -10.655 1.00 0.00 H new ATOM 0 HD22 LEU A 10 20.419 -10.478 -10.496 1.00 0.00 H new ATOM 0 HD23 LEU A 10 20.317 -9.720 -12.103 1.00 0.00 H new ATOM 150 N THR A 11 19.886 -13.019 -14.763 1.00 0.00 N ATOM 151 CA THR A 11 20.551 -14.212 -15.289 1.00 0.00 C ATOM 152 C THR A 11 22.011 -14.249 -14.849 1.00 0.00 C ATOM 153 O THR A 11 22.705 -13.230 -14.821 1.00 0.00 O ATOM 154 CB THR A 11 20.419 -14.301 -16.819 1.00 0.00 C ATOM 155 OG1 THR A 11 19.059 -14.500 -17.164 1.00 0.00 O ATOM 156 CG2 THR A 11 21.206 -15.467 -17.420 1.00 0.00 C ATOM 0 H THR A 11 20.361 -12.151 -15.012 1.00 0.00 H new ATOM 0 HA THR A 11 20.053 -15.088 -14.874 1.00 0.00 H new ATOM 0 HB THR A 11 20.817 -13.367 -17.215 1.00 0.00 H new ATOM 0 HG1 THR A 11 18.973 -14.555 -18.139 1.00 0.00 H new ATOM 0 HG21 THR A 11 21.073 -15.477 -18.502 1.00 0.00 H new ATOM 0 HG22 THR A 11 22.264 -15.351 -17.185 1.00 0.00 H new ATOM 0 HG23 THR A 11 20.842 -16.405 -17.002 1.00 0.00 H new ATOM 164 N ASP A 12 22.481 -15.447 -14.510 1.00 0.00 N ATOM 165 CA ASP A 12 23.869 -15.776 -14.200 1.00 0.00 C ATOM 166 C ASP A 12 24.752 -15.798 -15.466 1.00 0.00 C ATOM 167 O ASP A 12 25.368 -16.810 -15.811 1.00 0.00 O ATOM 168 CB ASP A 12 23.916 -17.085 -13.388 1.00 0.00 C ATOM 169 CG ASP A 12 23.372 -18.320 -14.138 1.00 0.00 C ATOM 170 OD1 ASP A 12 22.218 -18.281 -14.634 1.00 0.00 O ATOM 171 OD2 ASP A 12 24.067 -19.366 -14.175 1.00 0.00 O ATOM 0 H ASP A 12 21.868 -16.260 -14.441 1.00 0.00 H new ATOM 0 HA ASP A 12 24.298 -14.990 -13.578 1.00 0.00 H new ATOM 0 HB2 ASP A 12 24.947 -17.279 -13.094 1.00 0.00 H new ATOM 0 HB3 ASP A 12 23.343 -16.950 -12.471 1.00 0.00 H new ATOM 176 N HIS A 13 24.844 -14.657 -16.164 1.00 0.00 N ATOM 177 CA HIS A 13 25.776 -14.433 -17.282 1.00 0.00 C ATOM 178 C HIS A 13 27.196 -14.155 -16.747 1.00 0.00 C ATOM 179 O HIS A 13 27.887 -13.224 -17.172 1.00 0.00 O ATOM 180 CB HIS A 13 25.232 -13.340 -18.226 1.00 0.00 C ATOM 181 CG HIS A 13 24.072 -13.754 -19.102 1.00 0.00 C ATOM 182 ND1 HIS A 13 22.914 -12.999 -19.321 1.00 0.00 N ATOM 183 CD2 HIS A 13 24.024 -14.868 -19.891 1.00 0.00 C ATOM 184 CE1 HIS A 13 22.197 -13.676 -20.234 1.00 0.00 C ATOM 185 NE2 HIS A 13 22.836 -14.804 -20.588 1.00 0.00 N ATOM 0 H HIS A 13 24.260 -13.845 -15.964 1.00 0.00 H new ATOM 0 HA HIS A 13 25.856 -15.336 -17.888 1.00 0.00 H new ATOM 0 HB2 HIS A 13 24.923 -12.486 -17.624 1.00 0.00 H new ATOM 0 HB3 HIS A 13 26.046 -13.001 -18.867 1.00 0.00 H new ATOM 0 HD2 HIS A 13 24.770 -15.646 -19.956 1.00 0.00 H new ATOM 0 HE1 HIS A 13 21.243 -13.359 -20.627 1.00 0.00 H new ATOM 0 HE2 HIS A 13 22.499 -15.495 -21.258 1.00 0.00 H new ATOM 193 N THR A 14 27.622 -14.952 -15.762 1.00 0.00 N ATOM 194 CA THR A 14 28.855 -14.770 -14.997 1.00 0.00 C ATOM 195 C THR A 14 29.633 -16.087 -14.836 1.00 0.00 C ATOM 196 O THR A 14 29.051 -17.122 -14.506 1.00 0.00 O ATOM 197 CB THR A 14 28.585 -14.106 -13.634 1.00 0.00 C ATOM 198 OG1 THR A 14 27.689 -14.870 -12.862 1.00 0.00 O ATOM 199 CG2 THR A 14 27.951 -12.719 -13.723 1.00 0.00 C ATOM 0 H THR A 14 27.095 -15.773 -15.466 1.00 0.00 H new ATOM 0 HA THR A 14 29.487 -14.093 -15.572 1.00 0.00 H new ATOM 0 HB THR A 14 29.576 -14.031 -13.187 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.537 -14.426 -12.002 1.00 0.00 H new ATOM 0 HG21 THR A 14 27.795 -12.325 -12.719 1.00 0.00 H new ATOM 0 HG22 THR A 14 28.612 -12.052 -14.276 1.00 0.00 H new ATOM 0 HG23 THR A 14 26.993 -12.789 -14.238 1.00 0.00 H new ATOM 207 N VAL A 15 30.952 -16.068 -15.100 1.00 0.00 N ATOM 208 CA VAL A 15 31.807 -17.282 -15.228 1.00 0.00 C ATOM 209 C VAL A 15 33.150 -17.189 -14.472 1.00 0.00 C ATOM 210 O VAL A 15 34.169 -17.745 -14.889 1.00 0.00 O ATOM 211 CB VAL A 15 31.989 -17.707 -16.706 1.00 0.00 C ATOM 212 CG1 VAL A 15 30.637 -18.097 -17.312 1.00 0.00 C ATOM 213 CG2 VAL A 15 32.626 -16.646 -17.610 1.00 0.00 C ATOM 0 H VAL A 15 31.470 -15.200 -15.234 1.00 0.00 H new ATOM 0 HA VAL A 15 31.258 -18.078 -14.725 1.00 0.00 H new ATOM 0 HB VAL A 15 32.680 -18.549 -16.669 1.00 0.00 H new ATOM 0 HG11 VAL A 15 30.776 -18.394 -18.351 1.00 0.00 H new ATOM 0 HG12 VAL A 15 30.213 -18.929 -16.750 1.00 0.00 H new ATOM 0 HG13 VAL A 15 29.958 -17.245 -17.266 1.00 0.00 H new ATOM 0 HG21 VAL A 15 32.712 -17.036 -18.624 1.00 0.00 H new ATOM 0 HG22 VAL A 15 32.003 -15.752 -17.617 1.00 0.00 H new ATOM 0 HG23 VAL A 15 33.617 -16.394 -17.233 1.00 0.00 H new ATOM 223 N SER A 16 33.132 -16.512 -13.321 1.00 0.00 N ATOM 224 CA SER A 16 34.303 -16.239 -12.461 1.00 0.00 C ATOM 225 C SER A 16 34.083 -16.741 -11.029 1.00 0.00 C ATOM 226 O SER A 16 32.959 -16.710 -10.538 1.00 0.00 O ATOM 227 CB SER A 16 34.596 -14.734 -12.487 1.00 0.00 C ATOM 228 OG SER A 16 35.269 -14.316 -11.311 1.00 0.00 O ATOM 0 H SER A 16 32.270 -16.120 -12.941 1.00 0.00 H new ATOM 0 HA SER A 16 35.165 -16.782 -12.849 1.00 0.00 H new ATOM 0 HB2 SER A 16 35.204 -14.495 -13.360 1.00 0.00 H new ATOM 0 HB3 SER A 16 33.662 -14.182 -12.589 1.00 0.00 H new ATOM 0 HG SER A 16 35.847 -13.552 -11.519 1.00 0.00 H new ATOM 234 N SER A 17 35.147 -17.124 -10.315 1.00 0.00 N ATOM 235 CA SER A 17 35.070 -17.571 -8.910 1.00 0.00 C ATOM 236 C SER A 17 34.454 -16.516 -7.974 1.00 0.00 C ATOM 237 O SER A 17 33.723 -16.866 -7.047 1.00 0.00 O ATOM 238 CB SER A 17 36.466 -17.948 -8.398 1.00 0.00 C ATOM 239 OG SER A 17 37.059 -18.928 -9.241 1.00 0.00 O ATOM 0 H SER A 17 36.094 -17.134 -10.693 1.00 0.00 H new ATOM 0 HA SER A 17 34.412 -18.440 -8.899 1.00 0.00 H new ATOM 0 HB2 SER A 17 37.098 -17.061 -8.362 1.00 0.00 H new ATOM 0 HB3 SER A 17 36.395 -18.331 -7.380 1.00 0.00 H new ATOM 0 HG SER A 17 37.950 -19.156 -8.901 1.00 0.00 H new ATOM 245 N ILE A 18 34.699 -15.224 -8.244 1.00 0.00 N ATOM 246 CA ILE A 18 34.021 -14.086 -7.590 1.00 0.00 C ATOM 247 C ILE A 18 32.785 -13.622 -8.371 1.00 0.00 C ATOM 248 O ILE A 18 31.746 -13.369 -7.769 1.00 0.00 O ATOM 249 CB ILE A 18 34.990 -12.905 -7.315 1.00 0.00 C ATOM 250 CG1 ILE A 18 36.085 -12.791 -8.396 1.00 0.00 C ATOM 251 CG2 ILE A 18 35.594 -13.036 -5.908 1.00 0.00 C ATOM 252 CD1 ILE A 18 36.843 -11.474 -8.461 1.00 0.00 C ATOM 0 H ILE A 18 35.388 -14.932 -8.937 1.00 0.00 H new ATOM 0 HA ILE A 18 33.675 -14.452 -6.623 1.00 0.00 H new ATOM 0 HB ILE A 18 34.416 -11.979 -7.360 1.00 0.00 H new ATOM 0 HG12 ILE A 18 36.807 -13.592 -8.236 1.00 0.00 H new ATOM 0 HG13 ILE A 18 35.624 -12.967 -9.368 1.00 0.00 H new ATOM 0 HG21 ILE A 18 36.272 -12.203 -5.724 1.00 0.00 H new ATOM 0 HG22 ILE A 18 34.795 -13.024 -5.167 1.00 0.00 H new ATOM 0 HG23 ILE A 18 36.143 -13.974 -5.834 1.00 0.00 H new ATOM 0 HD11 ILE A 18 37.583 -11.519 -9.260 1.00 0.00 H new ATOM 0 HD12 ILE A 18 36.144 -10.661 -8.660 1.00 0.00 H new ATOM 0 HD13 ILE A 18 37.345 -11.296 -7.510 1.00 0.00 H new ATOM 264 N GLY A 19 32.830 -13.532 -9.705 1.00 0.00 N ATOM 265 CA GLY A 19 31.697 -13.000 -10.483 1.00 0.00 C ATOM 266 C GLY A 19 30.448 -13.893 -10.479 1.00 0.00 C ATOM 267 O GLY A 19 29.329 -13.386 -10.537 1.00 0.00 O ATOM 0 H GLY A 19 33.631 -13.817 -10.268 1.00 0.00 H new ATOM 0 HA2 GLY A 19 31.429 -12.020 -10.088 1.00 0.00 H new ATOM 0 HA3 GLY A 19 32.018 -12.851 -11.514 1.00 0.00 H new ATOM 271 N HIS A 20 30.612 -15.210 -10.333 1.00 0.00 N ATOM 272 CA HIS A 20 29.500 -16.146 -10.116 1.00 0.00 C ATOM 273 C HIS A 20 28.875 -15.948 -8.727 1.00 0.00 C ATOM 274 O HIS A 20 27.654 -15.936 -8.589 1.00 0.00 O ATOM 275 CB HIS A 20 29.987 -17.592 -10.312 1.00 0.00 C ATOM 276 CG HIS A 20 28.910 -18.657 -10.240 1.00 0.00 C ATOM 277 ND1 HIS A 20 29.147 -20.024 -10.071 1.00 0.00 N ATOM 278 CD2 HIS A 20 27.564 -18.459 -10.357 1.00 0.00 C ATOM 279 CE1 HIS A 20 27.939 -20.616 -10.086 1.00 0.00 C ATOM 280 NE2 HIS A 20 26.970 -19.698 -10.255 1.00 0.00 N ATOM 0 H HIS A 20 31.526 -15.663 -10.362 1.00 0.00 H new ATOM 0 HA HIS A 20 28.721 -15.943 -10.851 1.00 0.00 H new ATOM 0 HB2 HIS A 20 30.480 -17.663 -11.282 1.00 0.00 H new ATOM 0 HB3 HIS A 20 30.740 -17.809 -9.555 1.00 0.00 H new ATOM 0 HD2 HIS A 20 27.062 -17.514 -10.502 1.00 0.00 H new ATOM 0 HE1 HIS A 20 27.771 -21.677 -9.978 1.00 0.00 H new ATOM 0 HE2 HIS A 20 25.969 -19.887 -10.300 1.00 0.00 H new ATOM 288 N ASP A 21 29.692 -15.687 -7.707 1.00 0.00 N ATOM 289 CA ASP A 21 29.204 -15.408 -6.358 1.00 0.00 C ATOM 290 C ASP A 21 28.506 -14.043 -6.292 1.00 0.00 C ATOM 291 O ASP A 21 27.498 -13.928 -5.595 1.00 0.00 O ATOM 292 CB ASP A 21 30.348 -15.511 -5.334 1.00 0.00 C ATOM 293 CG ASP A 21 30.740 -16.952 -4.941 1.00 0.00 C ATOM 294 OD1 ASP A 21 30.138 -17.938 -5.432 1.00 0.00 O ATOM 295 OD2 ASP A 21 31.638 -17.102 -4.077 1.00 0.00 O ATOM 0 H ASP A 21 30.708 -15.663 -7.793 1.00 0.00 H new ATOM 0 HA ASP A 21 28.460 -16.163 -6.102 1.00 0.00 H new ATOM 0 HB2 ASP A 21 31.226 -15.009 -5.740 1.00 0.00 H new ATOM 0 HB3 ASP A 21 30.060 -14.970 -4.433 1.00 0.00 H new ATOM 300 N PHE A 22 28.963 -13.026 -7.045 1.00 0.00 N ATOM 301 CA PHE A 22 28.274 -11.730 -7.134 1.00 0.00 C ATOM 302 C PHE A 22 26.826 -11.907 -7.579 1.00 0.00 C ATOM 303 O PHE A 22 25.947 -11.306 -6.977 1.00 0.00 O ATOM 304 CB PHE A 22 28.994 -10.778 -8.102 1.00 0.00 C ATOM 305 CG PHE A 22 28.376 -9.387 -8.174 1.00 0.00 C ATOM 306 CD1 PHE A 22 27.268 -9.165 -9.014 1.00 0.00 C ATOM 307 CD2 PHE A 22 28.868 -8.320 -7.398 1.00 0.00 C ATOM 308 CE1 PHE A 22 26.664 -7.900 -9.091 1.00 0.00 C ATOM 309 CE2 PHE A 22 28.285 -7.042 -7.493 1.00 0.00 C ATOM 310 CZ PHE A 22 27.185 -6.834 -8.342 1.00 0.00 C ATOM 0 H PHE A 22 29.814 -13.080 -7.604 1.00 0.00 H new ATOM 0 HA PHE A 22 28.288 -11.292 -6.136 1.00 0.00 H new ATOM 0 HB2 PHE A 22 30.037 -10.686 -7.798 1.00 0.00 H new ATOM 0 HB3 PHE A 22 28.991 -11.218 -9.099 1.00 0.00 H new ATOM 0 HD1 PHE A 22 26.878 -9.979 -9.607 1.00 0.00 H new ATOM 0 HD2 PHE A 22 29.698 -8.483 -6.726 1.00 0.00 H new ATOM 0 HE1 PHE A 22 25.802 -7.748 -9.724 1.00 0.00 H new ATOM 0 HE2 PHE A 22 28.683 -6.222 -6.914 1.00 0.00 H new ATOM 0 HZ PHE A 22 26.740 -5.853 -8.418 1.00 0.00 H new ATOM 320 N TYR A 23 26.565 -12.754 -8.581 1.00 0.00 N ATOM 321 CA TYR A 23 25.198 -13.041 -9.028 1.00 0.00 C ATOM 322 C TYR A 23 24.306 -13.506 -7.865 1.00 0.00 C ATOM 323 O TYR A 23 23.262 -12.902 -7.603 1.00 0.00 O ATOM 324 CB TYR A 23 25.212 -14.083 -10.157 1.00 0.00 C ATOM 325 CG TYR A 23 23.817 -14.506 -10.560 1.00 0.00 C ATOM 326 CD1 TYR A 23 23.245 -15.673 -10.017 1.00 0.00 C ATOM 327 CD2 TYR A 23 23.056 -13.679 -11.401 1.00 0.00 C ATOM 328 CE1 TYR A 23 21.904 -16.000 -10.294 1.00 0.00 C ATOM 329 CE2 TYR A 23 21.711 -13.989 -11.664 1.00 0.00 C ATOM 330 CZ TYR A 23 21.130 -15.150 -11.114 1.00 0.00 C ATOM 331 OH TYR A 23 19.830 -15.444 -11.389 1.00 0.00 O ATOM 0 H TYR A 23 27.287 -13.255 -9.100 1.00 0.00 H new ATOM 0 HA TYR A 23 24.772 -12.115 -9.413 1.00 0.00 H new ATOM 0 HB2 TYR A 23 25.730 -13.671 -11.023 1.00 0.00 H new ATOM 0 HB3 TYR A 23 25.777 -14.958 -9.835 1.00 0.00 H new ATOM 0 HD1 TYR A 23 23.837 -16.319 -9.386 1.00 0.00 H new ATOM 0 HD2 TYR A 23 23.505 -12.803 -11.846 1.00 0.00 H new ATOM 0 HE1 TYR A 23 21.469 -16.898 -9.881 1.00 0.00 H new ATOM 0 HE2 TYR A 23 21.120 -13.336 -12.289 1.00 0.00 H new ATOM 0 HH TYR A 23 19.538 -14.933 -12.172 1.00 0.00 H new ATOM 341 N ARG A 24 24.753 -14.538 -7.135 1.00 0.00 N ATOM 342 CA ARG A 24 23.989 -15.164 -6.041 1.00 0.00 C ATOM 343 C ARG A 24 23.812 -14.211 -4.856 1.00 0.00 C ATOM 344 O ARG A 24 22.715 -14.073 -4.318 1.00 0.00 O ATOM 345 CB ARG A 24 24.669 -16.472 -5.593 1.00 0.00 C ATOM 346 CG ARG A 24 24.886 -17.455 -6.758 1.00 0.00 C ATOM 347 CD ARG A 24 25.290 -18.857 -6.289 1.00 0.00 C ATOM 348 NE ARG A 24 24.167 -19.570 -5.641 1.00 0.00 N ATOM 349 CZ ARG A 24 24.209 -20.767 -5.082 1.00 0.00 C ATOM 350 NH1 ARG A 24 25.305 -21.472 -5.033 1.00 0.00 N ATOM 351 NH2 ARG A 24 23.137 -21.287 -4.556 1.00 0.00 N ATOM 0 H ARG A 24 25.665 -14.968 -7.288 1.00 0.00 H new ATOM 0 HA ARG A 24 22.994 -15.398 -6.421 1.00 0.00 H new ATOM 0 HB2 ARG A 24 25.630 -16.239 -5.135 1.00 0.00 H new ATOM 0 HB3 ARG A 24 24.059 -16.951 -4.827 1.00 0.00 H new ATOM 0 HG2 ARG A 24 23.970 -17.524 -7.344 1.00 0.00 H new ATOM 0 HG3 ARG A 24 25.658 -17.062 -7.419 1.00 0.00 H new ATOM 0 HD2 ARG A 24 25.644 -19.437 -7.142 1.00 0.00 H new ATOM 0 HD3 ARG A 24 26.122 -18.779 -5.589 1.00 0.00 H new ATOM 0 HE ARG A 24 23.268 -19.088 -5.624 1.00 0.00 H new ATOM 0 HH11 ARG A 24 26.167 -21.103 -5.434 1.00 0.00 H new ATOM 0 HH12 ARG A 24 25.300 -22.392 -4.593 1.00 0.00 H new ATOM 0 HH21 ARG A 24 22.258 -20.770 -4.574 1.00 0.00 H new ATOM 0 HH22 ARG A 24 23.177 -22.211 -4.126 1.00 0.00 H new ATOM 365 N ALA A 25 24.885 -13.516 -4.482 1.00 0.00 N ATOM 366 CA ALA A 25 24.880 -12.547 -3.390 1.00 0.00 C ATOM 367 C ALA A 25 24.027 -11.312 -3.716 1.00 0.00 C ATOM 368 O ALA A 25 23.244 -10.878 -2.877 1.00 0.00 O ATOM 369 CB ALA A 25 26.331 -12.170 -3.076 1.00 0.00 C ATOM 0 H ALA A 25 25.794 -13.612 -4.936 1.00 0.00 H new ATOM 0 HA ALA A 25 24.420 -12.997 -2.510 1.00 0.00 H new ATOM 0 HB1 ALA A 25 26.351 -11.446 -2.262 1.00 0.00 H new ATOM 0 HB2 ALA A 25 26.883 -13.062 -2.781 1.00 0.00 H new ATOM 0 HB3 ALA A 25 26.793 -11.733 -3.961 1.00 0.00 H new ATOM 375 N PHE A 26 24.122 -10.763 -4.930 1.00 0.00 N ATOM 376 CA PHE A 26 23.305 -9.631 -5.361 1.00 0.00 C ATOM 377 C PHE A 26 21.818 -9.999 -5.323 1.00 0.00 C ATOM 378 O PHE A 26 21.038 -9.308 -4.673 1.00 0.00 O ATOM 379 CB PHE A 26 23.764 -9.163 -6.756 1.00 0.00 C ATOM 380 CG PHE A 26 22.973 -8.015 -7.367 1.00 0.00 C ATOM 381 CD1 PHE A 26 21.676 -8.233 -7.872 1.00 0.00 C ATOM 382 CD2 PHE A 26 23.545 -6.730 -7.473 1.00 0.00 C ATOM 383 CE1 PHE A 26 20.948 -7.180 -8.446 1.00 0.00 C ATOM 384 CE2 PHE A 26 22.823 -5.679 -8.073 1.00 0.00 C ATOM 385 CZ PHE A 26 21.521 -5.905 -8.553 1.00 0.00 C ATOM 0 H PHE A 26 24.772 -11.095 -5.643 1.00 0.00 H new ATOM 0 HA PHE A 26 23.438 -8.796 -4.674 1.00 0.00 H new ATOM 0 HB2 PHE A 26 24.810 -8.864 -6.691 1.00 0.00 H new ATOM 0 HB3 PHE A 26 23.717 -10.013 -7.436 1.00 0.00 H new ATOM 0 HD1 PHE A 26 21.239 -9.219 -7.817 1.00 0.00 H new ATOM 0 HD2 PHE A 26 24.540 -6.551 -7.093 1.00 0.00 H new ATOM 0 HE1 PHE A 26 19.944 -7.352 -8.806 1.00 0.00 H new ATOM 0 HE2 PHE A 26 23.270 -4.700 -8.164 1.00 0.00 H new ATOM 0 HZ PHE A 26 20.963 -5.097 -9.004 1.00 0.00 H new ATOM 395 N SER A 27 21.421 -11.111 -5.951 1.00 0.00 N ATOM 396 CA SER A 27 20.010 -11.520 -6.030 1.00 0.00 C ATOM 397 C SER A 27 19.408 -11.874 -4.660 1.00 0.00 C ATOM 398 O SER A 27 18.215 -11.650 -4.442 1.00 0.00 O ATOM 399 CB SER A 27 19.822 -12.677 -7.017 1.00 0.00 C ATOM 400 OG SER A 27 20.408 -13.875 -6.538 1.00 0.00 O ATOM 0 H SER A 27 22.063 -11.752 -6.417 1.00 0.00 H new ATOM 0 HA SER A 27 19.464 -10.652 -6.399 1.00 0.00 H new ATOM 0 HB2 SER A 27 18.758 -12.837 -7.192 1.00 0.00 H new ATOM 0 HB3 SER A 27 20.267 -12.413 -7.976 1.00 0.00 H new ATOM 0 HG SER A 27 21.099 -13.660 -5.877 1.00 0.00 H new ATOM 406 N ASP A 28 20.223 -12.341 -3.707 1.00 0.00 N ATOM 407 CA ASP A 28 19.817 -12.602 -2.322 1.00 0.00 C ATOM 408 C ASP A 28 19.401 -11.328 -1.554 1.00 0.00 C ATOM 409 O ASP A 28 18.506 -11.410 -0.708 1.00 0.00 O ATOM 410 CB ASP A 28 20.959 -13.311 -1.567 1.00 0.00 C ATOM 411 CG ASP A 28 20.974 -14.849 -1.692 1.00 0.00 C ATOM 412 OD1 ASP A 28 19.934 -15.472 -2.025 1.00 0.00 O ATOM 413 OD2 ASP A 28 22.021 -15.459 -1.364 1.00 0.00 O ATOM 0 H ASP A 28 21.205 -12.553 -3.882 1.00 0.00 H new ATOM 0 HA ASP A 28 18.936 -13.241 -2.372 1.00 0.00 H new ATOM 0 HB2 ASP A 28 21.910 -12.924 -1.932 1.00 0.00 H new ATOM 0 HB3 ASP A 28 20.893 -13.049 -0.511 1.00 0.00 H new ATOM 418 N LYS A 29 20.012 -10.163 -1.842 1.00 0.00 N ATOM 419 CA LYS A 29 19.661 -8.864 -1.218 1.00 0.00 C ATOM 420 C LYS A 29 18.992 -7.842 -2.159 1.00 0.00 C ATOM 421 O LYS A 29 18.647 -6.741 -1.726 1.00 0.00 O ATOM 422 CB LYS A 29 20.812 -8.268 -0.367 1.00 0.00 C ATOM 423 CG LYS A 29 22.262 -8.684 -0.686 1.00 0.00 C ATOM 424 CD LYS A 29 22.733 -10.004 -0.042 1.00 0.00 C ATOM 425 CE LYS A 29 22.742 -9.945 1.497 1.00 0.00 C ATOM 426 NZ LYS A 29 23.261 -11.206 2.104 1.00 0.00 N ATOM 0 H LYS A 29 20.771 -10.092 -2.520 1.00 0.00 H new ATOM 0 HA LYS A 29 18.866 -9.114 -0.515 1.00 0.00 H new ATOM 0 HB2 LYS A 29 20.754 -7.183 -0.448 1.00 0.00 H new ATOM 0 HB3 LYS A 29 20.617 -8.521 0.675 1.00 0.00 H new ATOM 0 HG2 LYS A 29 22.367 -8.770 -1.768 1.00 0.00 H new ATOM 0 HG3 LYS A 29 22.930 -7.885 -0.364 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.081 -10.815 -0.367 1.00 0.00 H new ATOM 0 HD3 LYS A 29 23.736 -10.240 -0.398 1.00 0.00 H new ATOM 0 HE2 LYS A 29 23.357 -9.106 1.824 1.00 0.00 H new ATOM 0 HE3 LYS A 29 21.731 -9.759 1.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 23.250 -11.123 3.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 22.660 -12.004 1.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 24.236 -11.371 1.781 1.00 0.00 H new ATOM 440 N TRP A 30 18.758 -8.196 -3.424 1.00 0.00 N ATOM 441 CA TRP A 30 18.099 -7.337 -4.413 1.00 0.00 C ATOM 442 C TRP A 30 16.648 -6.982 -4.030 1.00 0.00 C ATOM 443 O TRP A 30 15.855 -7.845 -3.645 1.00 0.00 O ATOM 444 CB TRP A 30 18.158 -7.990 -5.800 1.00 0.00 C ATOM 445 CG TRP A 30 17.513 -7.180 -6.879 1.00 0.00 C ATOM 446 CD1 TRP A 30 16.453 -7.561 -7.625 1.00 0.00 C ATOM 447 CD2 TRP A 30 17.830 -5.818 -7.301 1.00 0.00 C ATOM 448 NE1 TRP A 30 16.093 -6.535 -8.477 1.00 0.00 N ATOM 449 CE2 TRP A 30 16.903 -5.432 -8.312 1.00 0.00 C ATOM 450 CE3 TRP A 30 18.797 -4.865 -6.917 1.00 0.00 C ATOM 451 CZ2 TRP A 30 16.931 -4.167 -8.913 1.00 0.00 C ATOM 452 CZ3 TRP A 30 18.822 -3.583 -7.497 1.00 0.00 C ATOM 453 CH2 TRP A 30 17.894 -3.229 -8.493 1.00 0.00 C ATOM 0 H TRP A 30 19.026 -9.106 -3.798 1.00 0.00 H new ATOM 0 HA TRP A 30 18.646 -6.394 -4.436 1.00 0.00 H new ATOM 0 HB2 TRP A 30 19.201 -8.165 -6.064 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.674 -8.965 -5.753 1.00 0.00 H new ATOM 0 HD1 TRP A 30 15.962 -8.521 -7.564 1.00 0.00 H new ATOM 0 HE1 TRP A 30 15.324 -6.587 -9.145 1.00 0.00 H new ATOM 0 HE3 TRP A 30 19.529 -5.123 -6.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 16.223 -3.914 -9.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 19.561 -2.864 -7.174 1.00 0.00 H new ATOM 0 HH2 TRP A 30 17.920 -2.243 -8.933 1.00 0.00 H new ATOM 464 N GLU A 31 16.308 -5.696 -4.159 1.00 0.00 N ATOM 465 CA GLU A 31 14.974 -5.122 -3.947 1.00 0.00 C ATOM 466 C GLU A 31 14.866 -3.799 -4.732 1.00 0.00 C ATOM 467 O GLU A 31 15.819 -3.015 -4.753 1.00 0.00 O ATOM 468 CB GLU A 31 14.747 -4.888 -2.440 1.00 0.00 C ATOM 469 CG GLU A 31 13.329 -4.403 -2.119 1.00 0.00 C ATOM 470 CD GLU A 31 13.127 -4.280 -0.595 1.00 0.00 C ATOM 471 OE1 GLU A 31 13.424 -3.203 -0.023 1.00 0.00 O ATOM 472 OE2 GLU A 31 12.665 -5.259 0.042 1.00 0.00 O ATOM 0 H GLU A 31 16.992 -4.989 -4.429 1.00 0.00 H new ATOM 0 HA GLU A 31 14.207 -5.808 -4.306 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.939 -5.815 -1.900 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.467 -4.154 -2.079 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.153 -3.437 -2.593 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.599 -5.099 -2.533 1.00 0.00 H new ATOM 479 N SER A 32 13.725 -3.545 -5.387 1.00 0.00 N ATOM 480 CA SER A 32 13.535 -2.363 -6.249 1.00 0.00 C ATOM 481 C SER A 32 12.081 -1.873 -6.343 1.00 0.00 C ATOM 482 O SER A 32 11.131 -2.644 -6.181 1.00 0.00 O ATOM 483 CB SER A 32 14.092 -2.642 -7.650 1.00 0.00 C ATOM 484 OG SER A 32 13.471 -3.750 -8.284 1.00 0.00 O ATOM 0 H SER A 32 12.906 -4.151 -5.336 1.00 0.00 H new ATOM 0 HA SER A 32 14.088 -1.553 -5.773 1.00 0.00 H new ATOM 0 HB2 SER A 32 13.961 -1.755 -8.270 1.00 0.00 H new ATOM 0 HB3 SER A 32 15.164 -2.825 -7.579 1.00 0.00 H new ATOM 0 HG SER A 32 13.863 -3.881 -9.173 1.00 0.00 H new ATOM 490 N ASP A 33 11.910 -0.571 -6.614 1.00 0.00 N ATOM 491 CA ASP A 33 10.592 0.071 -6.790 1.00 0.00 C ATOM 492 C ASP A 33 10.060 -0.006 -8.238 1.00 0.00 C ATOM 493 O ASP A 33 8.846 -0.031 -8.457 1.00 0.00 O ATOM 494 CB ASP A 33 10.696 1.530 -6.328 1.00 0.00 C ATOM 495 CG ASP A 33 9.324 2.226 -6.314 1.00 0.00 C ATOM 496 OD1 ASP A 33 8.515 1.946 -5.394 1.00 0.00 O ATOM 497 OD2 ASP A 33 9.059 3.072 -7.200 1.00 0.00 O ATOM 0 H ASP A 33 12.691 0.077 -6.719 1.00 0.00 H new ATOM 0 HA ASP A 33 9.870 -0.476 -6.184 1.00 0.00 H new ATOM 0 HB2 ASP A 33 11.131 1.564 -5.329 1.00 0.00 H new ATOM 0 HB3 ASP A 33 11.372 2.073 -6.989 1.00 0.00 H new ATOM 502 N TYR A 34 10.966 -0.065 -9.226 1.00 0.00 N ATOM 503 CA TYR A 34 10.648 -0.198 -10.654 1.00 0.00 C ATOM 504 C TYR A 34 10.378 -1.666 -11.064 1.00 0.00 C ATOM 505 O TYR A 34 10.249 -2.561 -10.227 1.00 0.00 O ATOM 506 CB TYR A 34 11.751 0.487 -11.497 1.00 0.00 C ATOM 507 CG TYR A 34 12.992 -0.347 -11.768 1.00 0.00 C ATOM 508 CD1 TYR A 34 13.909 -0.600 -10.732 1.00 0.00 C ATOM 509 CD2 TYR A 34 13.226 -0.887 -13.049 1.00 0.00 C ATOM 510 CE1 TYR A 34 15.012 -1.448 -10.948 1.00 0.00 C ATOM 511 CE2 TYR A 34 14.331 -1.729 -13.271 1.00 0.00 C ATOM 512 CZ TYR A 34 15.222 -2.022 -12.221 1.00 0.00 C ATOM 513 OH TYR A 34 16.282 -2.840 -12.446 1.00 0.00 O ATOM 0 H TYR A 34 11.969 -0.020 -9.047 1.00 0.00 H new ATOM 0 HA TYR A 34 9.710 0.318 -10.856 1.00 0.00 H new ATOM 0 HB2 TYR A 34 11.320 0.783 -12.453 1.00 0.00 H new ATOM 0 HB3 TYR A 34 12.055 1.402 -10.988 1.00 0.00 H new ATOM 0 HD1 TYR A 34 13.766 -0.141 -9.765 1.00 0.00 H new ATOM 0 HD2 TYR A 34 12.555 -0.654 -13.862 1.00 0.00 H new ATOM 0 HE1 TYR A 34 15.697 -1.659 -10.140 1.00 0.00 H new ATOM 0 HE2 TYR A 34 14.496 -2.152 -14.251 1.00 0.00 H new ATOM 0 HH TYR A 34 16.269 -3.144 -13.377 1.00 0.00 H new ATOM 523 N THR A 35 10.299 -1.924 -12.373 1.00 0.00 N ATOM 524 CA THR A 35 9.946 -3.225 -12.975 1.00 0.00 C ATOM 525 C THR A 35 11.048 -4.294 -12.842 1.00 0.00 C ATOM 526 O THR A 35 10.841 -5.436 -13.232 1.00 0.00 O ATOM 527 CB THR A 35 9.549 -3.030 -14.459 1.00 0.00 C ATOM 528 OG1 THR A 35 8.999 -1.740 -14.677 1.00 0.00 O ATOM 529 CG2 THR A 35 8.493 -4.034 -14.928 1.00 0.00 C ATOM 0 H THR A 35 10.486 -1.208 -13.075 1.00 0.00 H new ATOM 0 HA THR A 35 9.096 -3.607 -12.409 1.00 0.00 H new ATOM 0 HB THR A 35 10.473 -3.173 -15.020 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.758 -1.642 -15.622 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.254 -3.849 -15.975 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.880 -5.047 -14.818 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.592 -3.922 -14.325 1.00 0.00 H new ATOM 537 N GLY A 36 12.230 -3.969 -12.302 1.00 0.00 N ATOM 538 CA GLY A 36 13.261 -4.957 -11.937 1.00 0.00 C ATOM 539 C GLY A 36 13.866 -5.750 -13.099 1.00 0.00 C ATOM 540 O GLY A 36 14.368 -6.857 -12.909 1.00 0.00 O ATOM 0 H GLY A 36 12.502 -3.006 -12.104 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.067 -4.438 -11.418 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.827 -5.662 -11.228 1.00 0.00 H new ATOM 544 N ASN A 37 13.812 -5.216 -14.320 1.00 0.00 N ATOM 545 CA ASN A 37 14.276 -5.908 -15.528 1.00 0.00 C ATOM 546 C ASN A 37 15.793 -5.761 -15.748 1.00 0.00 C ATOM 547 O ASN A 37 16.242 -5.149 -16.715 1.00 0.00 O ATOM 548 CB ASN A 37 13.458 -5.465 -16.747 1.00 0.00 C ATOM 549 CG ASN A 37 11.962 -5.711 -16.647 1.00 0.00 C ATOM 550 OD1 ASN A 37 11.159 -4.803 -16.781 1.00 0.00 O ATOM 551 ND2 ASN A 37 11.538 -6.939 -16.438 1.00 0.00 N ATOM 0 H ASN A 37 13.442 -4.283 -14.502 1.00 0.00 H new ATOM 0 HA ASN A 37 14.107 -6.975 -15.385 1.00 0.00 H new ATOM 0 HB2 ASN A 37 13.625 -4.400 -16.909 1.00 0.00 H new ATOM 0 HB3 ASN A 37 13.837 -5.984 -17.627 1.00 0.00 H new ATOM 0 HD21 ASN A 37 10.538 -7.132 -16.388 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.210 -7.698 -16.326 1.00 0.00 H new ATOM 558 N LEU A 38 16.583 -6.338 -14.845 1.00 0.00 N ATOM 559 CA LEU A 38 18.053 -6.281 -14.851 1.00 0.00 C ATOM 560 C LEU A 38 18.739 -7.648 -14.931 1.00 0.00 C ATOM 561 O LEU A 38 18.215 -8.634 -14.424 1.00 0.00 O ATOM 562 CB LEU A 38 18.577 -5.466 -13.656 1.00 0.00 C ATOM 563 CG LEU A 38 18.680 -6.199 -12.300 1.00 0.00 C ATOM 564 CD1 LEU A 38 19.241 -5.252 -11.252 1.00 0.00 C ATOM 565 CD2 LEU A 38 17.347 -6.692 -11.747 1.00 0.00 C ATOM 0 H LEU A 38 16.211 -6.876 -14.062 1.00 0.00 H new ATOM 0 HA LEU A 38 18.321 -5.771 -15.776 1.00 0.00 H new ATOM 0 HB2 LEU A 38 19.566 -5.086 -13.912 1.00 0.00 H new ATOM 0 HB3 LEU A 38 17.928 -4.600 -13.525 1.00 0.00 H new ATOM 0 HG LEU A 38 19.317 -7.062 -12.494 1.00 0.00 H new ATOM 0 HD11 LEU A 38 19.313 -5.770 -10.295 1.00 0.00 H new ATOM 0 HD12 LEU A 38 20.231 -4.916 -11.559 1.00 0.00 H new ATOM 0 HD13 LEU A 38 18.581 -4.391 -11.149 1.00 0.00 H new ATOM 0 HD21 LEU A 38 17.512 -7.194 -10.794 1.00 0.00 H new ATOM 0 HD22 LEU A 38 16.678 -5.844 -11.599 1.00 0.00 H new ATOM 0 HD23 LEU A 38 16.897 -7.391 -12.452 1.00 0.00 H new ATOM 577 N THR A 39 19.945 -7.685 -15.500 1.00 0.00 N ATOM 578 CA THR A 39 20.823 -8.864 -15.534 1.00 0.00 C ATOM 579 C THR A 39 22.280 -8.495 -15.227 1.00 0.00 C ATOM 580 O THR A 39 22.665 -7.325 -15.284 1.00 0.00 O ATOM 581 CB THR A 39 20.685 -9.619 -16.859 1.00 0.00 C ATOM 582 OG1 THR A 39 21.242 -10.897 -16.665 1.00 0.00 O ATOM 583 CG2 THR A 39 21.368 -8.950 -18.047 1.00 0.00 C ATOM 0 H THR A 39 20.353 -6.874 -15.964 1.00 0.00 H new ATOM 0 HA THR A 39 20.500 -9.541 -14.743 1.00 0.00 H new ATOM 0 HB THR A 39 19.625 -9.646 -17.113 1.00 0.00 H new ATOM 0 HG1 THR A 39 21.985 -11.028 -17.290 1.00 0.00 H new ATOM 0 HG21 THR A 39 21.218 -9.555 -18.941 1.00 0.00 H new ATOM 0 HG22 THR A 39 20.940 -7.960 -18.203 1.00 0.00 H new ATOM 0 HG23 THR A 39 22.436 -8.856 -17.848 1.00 0.00 H new ATOM 591 N ILE A 40 23.090 -9.490 -14.861 1.00 0.00 N ATOM 592 CA ILE A 40 24.457 -9.329 -14.342 1.00 0.00 C ATOM 593 C ILE A 40 25.427 -10.049 -15.275 1.00 0.00 C ATOM 594 O ILE A 40 25.270 -11.233 -15.556 1.00 0.00 O ATOM 595 CB ILE A 40 24.554 -9.896 -12.911 1.00 0.00 C ATOM 596 CG1 ILE A 40 23.610 -9.141 -11.946 1.00 0.00 C ATOM 597 CG2 ILE A 40 25.996 -9.856 -12.363 1.00 0.00 C ATOM 598 CD1 ILE A 40 23.345 -9.932 -10.666 1.00 0.00 C ATOM 0 H ILE A 40 22.805 -10.468 -14.919 1.00 0.00 H new ATOM 0 HA ILE A 40 24.715 -8.271 -14.302 1.00 0.00 H new ATOM 0 HB ILE A 40 24.245 -10.939 -12.972 1.00 0.00 H new ATOM 0 HG12 ILE A 40 24.049 -8.176 -11.691 1.00 0.00 H new ATOM 0 HG13 ILE A 40 22.664 -8.938 -12.449 1.00 0.00 H new ATOM 0 HG21 ILE A 40 26.013 -10.266 -11.353 1.00 0.00 H new ATOM 0 HG22 ILE A 40 26.646 -10.449 -13.006 1.00 0.00 H new ATOM 0 HG23 ILE A 40 26.349 -8.825 -12.342 1.00 0.00 H new ATOM 0 HD11 ILE A 40 22.677 -9.363 -10.019 1.00 0.00 H new ATOM 0 HD12 ILE A 40 22.881 -10.886 -10.917 1.00 0.00 H new ATOM 0 HD13 ILE A 40 24.287 -10.112 -10.148 1.00 0.00 H new ATOM 610 N ASN A 41 26.461 -9.334 -15.708 1.00 0.00 N ATOM 611 CA ASN A 41 27.450 -9.791 -16.676 1.00 0.00 C ATOM 612 C ASN A 41 28.845 -9.641 -16.049 1.00 0.00 C ATOM 613 O ASN A 41 29.080 -8.655 -15.348 1.00 0.00 O ATOM 614 CB ASN A 41 27.309 -8.953 -17.968 1.00 0.00 C ATOM 615 CG ASN A 41 25.869 -8.737 -18.436 1.00 0.00 C ATOM 616 OD1 ASN A 41 25.343 -9.469 -19.261 1.00 0.00 O ATOM 617 ND2 ASN A 41 25.202 -7.715 -17.934 1.00 0.00 N ATOM 0 H ASN A 41 26.639 -8.384 -15.381 1.00 0.00 H new ATOM 0 HA ASN A 41 27.298 -10.839 -16.936 1.00 0.00 H new ATOM 0 HB2 ASN A 41 27.774 -7.980 -17.806 1.00 0.00 H new ATOM 0 HB3 ASN A 41 27.866 -9.444 -18.766 1.00 0.00 H new ATOM 0 HD21 ASN A 41 24.244 -7.534 -18.234 1.00 0.00 H new ATOM 0 HD22 ASN A 41 25.644 -7.106 -17.246 1.00 0.00 H new ATOM 624 N GLU A 42 29.782 -10.559 -16.291 1.00 0.00 N ATOM 625 CA GLU A 42 31.183 -10.369 -15.880 1.00 0.00 C ATOM 626 C GLU A 42 32.197 -10.676 -16.993 1.00 0.00 C ATOM 627 O GLU A 42 31.925 -11.490 -17.880 1.00 0.00 O ATOM 628 CB GLU A 42 31.475 -11.133 -14.577 1.00 0.00 C ATOM 629 CG GLU A 42 31.685 -12.635 -14.751 1.00 0.00 C ATOM 630 CD GLU A 42 33.116 -13.089 -15.058 1.00 0.00 C ATOM 631 OE1 GLU A 42 34.086 -12.352 -14.780 1.00 0.00 O ATOM 632 OE2 GLU A 42 33.226 -14.238 -15.535 1.00 0.00 O ATOM 0 H GLU A 42 29.601 -11.442 -16.769 1.00 0.00 H new ATOM 0 HA GLU A 42 31.314 -9.306 -15.678 1.00 0.00 H new ATOM 0 HB2 GLU A 42 32.365 -10.707 -14.114 1.00 0.00 H new ATOM 0 HB3 GLU A 42 30.648 -10.973 -13.885 1.00 0.00 H new ATOM 0 HG2 GLU A 42 31.356 -13.134 -13.840 1.00 0.00 H new ATOM 0 HG3 GLU A 42 31.036 -12.980 -15.556 1.00 0.00 H new ATOM 639 N ARG A 43 33.372 -10.034 -16.927 1.00 0.00 N ATOM 640 CA ARG A 43 34.535 -10.350 -17.768 1.00 0.00 C ATOM 641 C ARG A 43 35.703 -10.826 -16.892 1.00 0.00 C ATOM 642 O ARG A 43 36.214 -10.018 -16.108 1.00 0.00 O ATOM 643 CB ARG A 43 34.910 -9.151 -18.654 1.00 0.00 C ATOM 644 CG ARG A 43 36.003 -9.516 -19.673 1.00 0.00 C ATOM 645 CD ARG A 43 36.351 -8.317 -20.561 1.00 0.00 C ATOM 646 NE ARG A 43 37.428 -8.655 -21.514 1.00 0.00 N ATOM 647 CZ ARG A 43 37.922 -7.876 -22.460 1.00 0.00 C ATOM 648 NH1 ARG A 43 37.487 -6.663 -22.659 1.00 0.00 N ATOM 649 NH2 ARG A 43 38.878 -8.305 -23.234 1.00 0.00 N ATOM 0 H ARG A 43 33.544 -9.267 -16.276 1.00 0.00 H new ATOM 0 HA ARG A 43 34.281 -11.167 -18.443 1.00 0.00 H new ATOM 0 HB2 ARG A 43 34.024 -8.797 -19.182 1.00 0.00 H new ATOM 0 HB3 ARG A 43 35.257 -8.330 -18.027 1.00 0.00 H new ATOM 0 HG2 ARG A 43 36.896 -9.855 -19.148 1.00 0.00 H new ATOM 0 HG3 ARG A 43 35.664 -10.346 -20.293 1.00 0.00 H new ATOM 0 HD2 ARG A 43 35.464 -7.997 -21.108 1.00 0.00 H new ATOM 0 HD3 ARG A 43 36.662 -7.478 -19.939 1.00 0.00 H new ATOM 0 HE ARG A 43 37.833 -9.588 -21.433 1.00 0.00 H new ATOM 0 HH11 ARG A 43 36.741 -6.286 -22.074 1.00 0.00 H new ATOM 0 HH12 ARG A 43 37.893 -6.091 -23.399 1.00 0.00 H new ATOM 0 HH21 ARG A 43 39.249 -9.247 -23.112 1.00 0.00 H new ATOM 0 HH22 ARG A 43 39.255 -7.699 -23.963 1.00 0.00 H new ATOM 663 N PRO A 44 36.148 -12.088 -17.040 1.00 0.00 N ATOM 664 CA PRO A 44 37.215 -12.658 -16.231 1.00 0.00 C ATOM 665 C PRO A 44 38.581 -12.210 -16.773 1.00 0.00 C ATOM 666 O PRO A 44 38.905 -12.433 -17.944 1.00 0.00 O ATOM 667 CB PRO A 44 36.987 -14.171 -16.301 1.00 0.00 C ATOM 668 CG PRO A 44 36.373 -14.379 -17.684 1.00 0.00 C ATOM 669 CD PRO A 44 35.551 -13.113 -17.886 1.00 0.00 C ATOM 0 HA PRO A 44 37.207 -12.327 -15.193 1.00 0.00 H new ATOM 0 HB2 PRO A 44 37.921 -14.723 -16.190 1.00 0.00 H new ATOM 0 HB3 PRO A 44 36.319 -14.513 -15.510 1.00 0.00 H new ATOM 0 HG2 PRO A 44 37.138 -14.491 -18.453 1.00 0.00 H new ATOM 0 HG3 PRO A 44 35.752 -15.274 -17.720 1.00 0.00 H new ATOM 0 HD2 PRO A 44 35.562 -12.807 -18.932 1.00 0.00 H new ATOM 0 HD3 PRO A 44 34.509 -13.281 -17.614 1.00 0.00 H new ATOM 677 N SER A 45 39.385 -11.577 -15.916 1.00 0.00 N ATOM 678 CA SER A 45 40.631 -10.901 -16.295 1.00 0.00 C ATOM 679 C SER A 45 41.707 -11.139 -15.233 1.00 0.00 C ATOM 680 O SER A 45 41.763 -10.447 -14.213 1.00 0.00 O ATOM 681 CB SER A 45 40.373 -9.397 -16.495 1.00 0.00 C ATOM 682 OG SER A 45 39.465 -9.171 -17.567 1.00 0.00 O ATOM 0 H SER A 45 39.185 -11.518 -14.918 1.00 0.00 H new ATOM 0 HA SER A 45 40.990 -11.315 -17.237 1.00 0.00 H new ATOM 0 HB2 SER A 45 39.970 -8.969 -15.577 1.00 0.00 H new ATOM 0 HB3 SER A 45 41.315 -8.887 -16.698 1.00 0.00 H new ATOM 0 HG SER A 45 39.317 -8.208 -17.672 1.00 0.00 H new ATOM 688 N ALA A 46 42.598 -12.104 -15.482 1.00 0.00 N ATOM 689 CA ALA A 46 43.573 -12.613 -14.505 1.00 0.00 C ATOM 690 C ALA A 46 44.619 -11.584 -14.020 1.00 0.00 C ATOM 691 O ALA A 46 45.304 -11.820 -13.021 1.00 0.00 O ATOM 692 CB ALA A 46 44.234 -13.862 -15.104 1.00 0.00 C ATOM 0 H ALA A 46 42.665 -12.565 -16.389 1.00 0.00 H new ATOM 0 HA ALA A 46 43.026 -12.857 -13.594 1.00 0.00 H new ATOM 0 HB1 ALA A 46 44.963 -14.261 -14.399 1.00 0.00 H new ATOM 0 HB2 ALA A 46 43.473 -14.616 -15.304 1.00 0.00 H new ATOM 0 HB3 ALA A 46 44.736 -13.597 -16.034 1.00 0.00 H new ATOM 698 N ARG A 47 44.687 -10.411 -14.667 1.00 0.00 N ATOM 699 CA ARG A 47 45.395 -9.212 -14.176 1.00 0.00 C ATOM 700 C ARG A 47 44.974 -8.784 -12.760 1.00 0.00 C ATOM 701 O ARG A 47 45.798 -8.224 -12.036 1.00 0.00 O ATOM 702 CB ARG A 47 45.205 -8.057 -15.186 1.00 0.00 C ATOM 703 CG ARG A 47 43.750 -7.554 -15.284 1.00 0.00 C ATOM 704 CD ARG A 47 43.516 -6.585 -16.452 1.00 0.00 C ATOM 705 NE ARG A 47 44.173 -5.277 -16.239 1.00 0.00 N ATOM 706 CZ ARG A 47 44.102 -4.224 -17.037 1.00 0.00 C ATOM 707 NH1 ARG A 47 43.434 -4.244 -18.157 1.00 0.00 N ATOM 708 NH2 ARG A 47 44.707 -3.115 -16.721 1.00 0.00 N ATOM 0 H ARG A 47 44.240 -10.263 -15.572 1.00 0.00 H new ATOM 0 HA ARG A 47 46.451 -9.469 -14.097 1.00 0.00 H new ATOM 0 HB2 ARG A 47 45.849 -7.226 -14.900 1.00 0.00 H new ATOM 0 HB3 ARG A 47 45.533 -8.390 -16.171 1.00 0.00 H new ATOM 0 HG2 ARG A 47 43.084 -8.410 -15.393 1.00 0.00 H new ATOM 0 HG3 ARG A 47 43.481 -7.058 -14.351 1.00 0.00 H new ATOM 0 HD2 ARG A 47 43.892 -7.032 -17.372 1.00 0.00 H new ATOM 0 HD3 ARG A 47 42.445 -6.433 -16.586 1.00 0.00 H new ATOM 0 HE ARG A 47 44.736 -5.177 -15.394 1.00 0.00 H new ATOM 0 HH11 ARG A 47 42.944 -5.091 -18.443 1.00 0.00 H new ATOM 0 HH12 ARG A 47 43.402 -3.412 -18.747 1.00 0.00 H new ATOM 0 HH21 ARG A 47 45.240 -3.054 -15.853 1.00 0.00 H new ATOM 0 HH22 ARG A 47 44.648 -2.307 -17.341 1.00 0.00 H new ATOM 722 N ALA A 48 43.711 -9.027 -12.374 1.00 0.00 N ATOM 723 CA ALA A 48 43.151 -8.570 -11.096 1.00 0.00 C ATOM 724 C ALA A 48 41.931 -9.353 -10.553 1.00 0.00 C ATOM 725 O ALA A 48 41.721 -9.342 -9.340 1.00 0.00 O ATOM 726 CB ALA A 48 42.785 -7.088 -11.273 1.00 0.00 C ATOM 0 H ALA A 48 43.047 -9.550 -12.945 1.00 0.00 H new ATOM 0 HA ALA A 48 43.918 -8.745 -10.341 1.00 0.00 H new ATOM 0 HB1 ALA A 48 42.363 -6.704 -10.344 1.00 0.00 H new ATOM 0 HB2 ALA A 48 43.680 -6.520 -11.527 1.00 0.00 H new ATOM 0 HB3 ALA A 48 42.052 -6.987 -12.073 1.00 0.00 H new ATOM 732 N GLY A 49 41.113 -10.008 -11.393 1.00 0.00 N ATOM 733 CA GLY A 49 39.863 -10.661 -10.964 1.00 0.00 C ATOM 734 C GLY A 49 38.783 -10.648 -12.051 1.00 0.00 C ATOM 735 O GLY A 49 38.947 -11.292 -13.087 1.00 0.00 O ATOM 0 H GLY A 49 41.299 -10.100 -12.392 1.00 0.00 H new ATOM 0 HA2 GLY A 49 40.075 -11.692 -10.682 1.00 0.00 H new ATOM 0 HA3 GLY A 49 39.483 -10.159 -10.074 1.00 0.00 H new ATOM 739 N SER A 50 37.684 -9.921 -11.827 1.00 0.00 N ATOM 740 CA SER A 50 36.590 -9.762 -12.801 1.00 0.00 C ATOM 741 C SER A 50 36.080 -8.323 -12.905 1.00 0.00 C ATOM 742 O SER A 50 35.946 -7.613 -11.907 1.00 0.00 O ATOM 743 CB SER A 50 35.412 -10.696 -12.491 1.00 0.00 C ATOM 744 OG SER A 50 34.987 -10.595 -11.144 1.00 0.00 O ATOM 0 H SER A 50 37.523 -9.418 -10.954 1.00 0.00 H new ATOM 0 HA SER A 50 37.024 -10.033 -13.764 1.00 0.00 H new ATOM 0 HB2 SER A 50 34.578 -10.458 -13.152 1.00 0.00 H new ATOM 0 HB3 SER A 50 35.702 -11.725 -12.702 1.00 0.00 H new ATOM 0 HG SER A 50 34.235 -11.205 -10.992 1.00 0.00 H new ATOM 750 N TRP A 51 35.705 -7.904 -14.119 1.00 0.00 N ATOM 751 CA TRP A 51 34.793 -6.772 -14.294 1.00 0.00 C ATOM 752 C TRP A 51 33.370 -7.263 -14.065 1.00 0.00 C ATOM 753 O TRP A 51 33.005 -8.278 -14.644 1.00 0.00 O ATOM 754 CB TRP A 51 34.916 -6.177 -15.703 1.00 0.00 C ATOM 755 CG TRP A 51 35.763 -4.954 -15.810 1.00 0.00 C ATOM 756 CD1 TRP A 51 36.999 -4.894 -16.353 1.00 0.00 C ATOM 757 CD2 TRP A 51 35.437 -3.594 -15.393 1.00 0.00 C ATOM 758 NE1 TRP A 51 37.469 -3.596 -16.288 1.00 0.00 N ATOM 759 CE2 TRP A 51 36.542 -2.749 -15.716 1.00 0.00 C ATOM 760 CE3 TRP A 51 34.316 -2.990 -14.778 1.00 0.00 C ATOM 761 CZ2 TRP A 51 36.538 -1.373 -15.440 1.00 0.00 C ATOM 762 CZ3 TRP A 51 34.306 -1.610 -14.499 1.00 0.00 C ATOM 763 CH2 TRP A 51 35.408 -0.803 -14.831 1.00 0.00 C ATOM 0 H TRP A 51 36.018 -8.331 -14.991 1.00 0.00 H new ATOM 0 HA TRP A 51 35.049 -5.991 -13.578 1.00 0.00 H new ATOM 0 HB2 TRP A 51 35.324 -6.940 -16.367 1.00 0.00 H new ATOM 0 HB3 TRP A 51 33.916 -5.939 -16.067 1.00 0.00 H new ATOM 0 HD1 TRP A 51 37.537 -5.731 -16.773 1.00 0.00 H new ATOM 0 HE1 TRP A 51 38.387 -3.301 -16.621 1.00 0.00 H new ATOM 0 HE3 TRP A 51 33.459 -3.594 -14.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 37.392 -0.761 -15.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 33.443 -1.167 -14.025 1.00 0.00 H new ATOM 0 HH2 TRP A 51 35.386 0.256 -14.618 1.00 0.00 H new ATOM 774 N ILE A 52 32.562 -6.541 -13.291 1.00 0.00 N ATOM 775 CA ILE A 52 31.119 -6.765 -13.132 1.00 0.00 C ATOM 776 C ILE A 52 30.361 -5.614 -13.783 1.00 0.00 C ATOM 777 O ILE A 52 30.653 -4.454 -13.503 1.00 0.00 O ATOM 778 CB ILE A 52 30.731 -6.894 -11.642 1.00 0.00 C ATOM 779 CG1 ILE A 52 31.545 -7.964 -10.889 1.00 0.00 C ATOM 780 CG2 ILE A 52 29.227 -7.187 -11.495 1.00 0.00 C ATOM 781 CD1 ILE A 52 31.450 -9.372 -11.486 1.00 0.00 C ATOM 0 H ILE A 52 32.902 -5.755 -12.736 1.00 0.00 H new ATOM 0 HA ILE A 52 30.853 -7.703 -13.620 1.00 0.00 H new ATOM 0 HB ILE A 52 30.968 -5.933 -11.186 1.00 0.00 H new ATOM 0 HG12 ILE A 52 32.592 -7.660 -10.872 1.00 0.00 H new ATOM 0 HG13 ILE A 52 31.206 -7.998 -9.854 1.00 0.00 H new ATOM 0 HG21 ILE A 52 28.975 -7.274 -10.438 1.00 0.00 H new ATOM 0 HG22 ILE A 52 28.653 -6.374 -11.939 1.00 0.00 H new ATOM 0 HG23 ILE A 52 28.987 -8.121 -12.003 1.00 0.00 H new ATOM 0 HD11 ILE A 52 32.053 -10.060 -10.893 1.00 0.00 H new ATOM 0 HD12 ILE A 52 30.411 -9.701 -11.478 1.00 0.00 H new ATOM 0 HD13 ILE A 52 31.818 -9.358 -12.512 1.00 0.00 H new ATOM 793 N THR A 53 29.358 -5.939 -14.598 1.00 0.00 N ATOM 794 CA THR A 53 28.557 -4.976 -15.365 1.00 0.00 C ATOM 795 C THR A 53 27.087 -5.374 -15.297 1.00 0.00 C ATOM 796 O THR A 53 26.699 -6.435 -15.788 1.00 0.00 O ATOM 797 CB THR A 53 29.048 -4.916 -16.824 1.00 0.00 C ATOM 798 OG1 THR A 53 30.420 -4.578 -16.852 1.00 0.00 O ATOM 799 CG2 THR A 53 28.328 -3.848 -17.645 1.00 0.00 C ATOM 0 H THR A 53 29.069 -6.906 -14.750 1.00 0.00 H new ATOM 0 HA THR A 53 28.671 -3.981 -14.934 1.00 0.00 H new ATOM 0 HB THR A 53 28.850 -5.900 -17.250 1.00 0.00 H new ATOM 0 HG1 THR A 53 30.729 -4.542 -17.781 1.00 0.00 H new ATOM 0 HG21 THR A 53 28.714 -3.851 -18.664 1.00 0.00 H new ATOM 0 HG22 THR A 53 27.259 -4.061 -17.661 1.00 0.00 H new ATOM 0 HG23 THR A 53 28.496 -2.869 -17.196 1.00 0.00 H new ATOM 807 N ILE A 54 26.249 -4.527 -14.701 1.00 0.00 N ATOM 808 CA ILE A 54 24.799 -4.741 -14.594 1.00 0.00 C ATOM 809 C ILE A 54 24.080 -3.919 -15.662 1.00 0.00 C ATOM 810 O ILE A 54 24.313 -2.717 -15.826 1.00 0.00 O ATOM 811 CB ILE A 54 24.303 -4.552 -13.139 1.00 0.00 C ATOM 812 CG1 ILE A 54 22.777 -4.670 -12.932 1.00 0.00 C ATOM 813 CG2 ILE A 54 24.842 -3.269 -12.493 1.00 0.00 C ATOM 814 CD1 ILE A 54 21.925 -3.475 -13.391 1.00 0.00 C ATOM 0 H ILE A 54 26.560 -3.656 -14.270 1.00 0.00 H new ATOM 0 HA ILE A 54 24.547 -5.779 -14.810 1.00 0.00 H new ATOM 0 HB ILE A 54 24.729 -5.411 -12.621 1.00 0.00 H new ATOM 0 HG12 ILE A 54 22.429 -5.558 -13.459 1.00 0.00 H new ATOM 0 HG13 ILE A 54 22.589 -4.835 -11.871 1.00 0.00 H new ATOM 0 HG21 ILE A 54 24.463 -3.187 -11.474 1.00 0.00 H new ATOM 0 HG22 ILE A 54 25.931 -3.302 -12.473 1.00 0.00 H new ATOM 0 HG23 ILE A 54 24.515 -2.405 -13.072 1.00 0.00 H new ATOM 0 HD11 ILE A 54 20.873 -3.680 -13.192 1.00 0.00 H new ATOM 0 HD12 ILE A 54 22.230 -2.581 -12.847 1.00 0.00 H new ATOM 0 HD13 ILE A 54 22.068 -3.316 -14.460 1.00 0.00 H new ATOM 826 N THR A 55 23.196 -4.590 -16.398 1.00 0.00 N ATOM 827 CA THR A 55 22.421 -4.018 -17.503 1.00 0.00 C ATOM 828 C THR A 55 20.919 -4.113 -17.222 1.00 0.00 C ATOM 829 O THR A 55 20.440 -5.129 -16.723 1.00 0.00 O ATOM 830 CB THR A 55 22.787 -4.692 -18.838 1.00 0.00 C ATOM 831 OG1 THR A 55 22.754 -6.099 -18.713 1.00 0.00 O ATOM 832 CG2 THR A 55 24.211 -4.369 -19.292 1.00 0.00 C ATOM 0 H THR A 55 22.991 -5.577 -16.239 1.00 0.00 H new ATOM 0 HA THR A 55 22.676 -2.961 -17.586 1.00 0.00 H new ATOM 0 HB THR A 55 22.058 -4.315 -19.555 1.00 0.00 H new ATOM 0 HG1 THR A 55 22.988 -6.509 -19.572 1.00 0.00 H new ATOM 0 HG21 THR A 55 24.414 -4.871 -20.238 1.00 0.00 H new ATOM 0 HG22 THR A 55 24.316 -3.292 -19.423 1.00 0.00 H new ATOM 0 HG23 THR A 55 24.920 -4.714 -18.539 1.00 0.00 H new ATOM 840 N VAL A 56 20.163 -3.057 -17.536 1.00 0.00 N ATOM 841 CA VAL A 56 18.688 -3.027 -17.500 1.00 0.00 C ATOM 842 C VAL A 56 18.170 -3.204 -18.923 1.00 0.00 C ATOM 843 O VAL A 56 18.452 -2.387 -19.794 1.00 0.00 O ATOM 844 CB VAL A 56 18.162 -1.757 -16.792 1.00 0.00 C ATOM 845 CG1 VAL A 56 16.679 -1.463 -17.055 1.00 0.00 C ATOM 846 CG2 VAL A 56 18.314 -1.967 -15.285 1.00 0.00 C ATOM 0 H VAL A 56 20.568 -2.169 -17.832 1.00 0.00 H new ATOM 0 HA VAL A 56 18.304 -3.851 -16.899 1.00 0.00 H new ATOM 0 HB VAL A 56 18.738 -0.918 -17.182 1.00 0.00 H new ATOM 0 HG11 VAL A 56 16.388 -0.557 -16.524 1.00 0.00 H new ATOM 0 HG12 VAL A 56 16.520 -1.323 -18.124 1.00 0.00 H new ATOM 0 HG13 VAL A 56 16.074 -2.299 -16.704 1.00 0.00 H new ATOM 0 HG21 VAL A 56 17.951 -1.086 -14.756 1.00 0.00 H new ATOM 0 HG22 VAL A 56 17.735 -2.838 -14.979 1.00 0.00 H new ATOM 0 HG23 VAL A 56 19.365 -2.127 -15.044 1.00 0.00 H new ATOM 856 N ASN A 57 17.451 -4.303 -19.157 1.00 0.00 N ATOM 857 CA ASN A 57 17.033 -4.853 -20.458 1.00 0.00 C ATOM 858 C ASN A 57 18.205 -5.101 -21.434 1.00 0.00 C ATOM 859 O ASN A 57 18.593 -6.245 -21.665 1.00 0.00 O ATOM 860 CB ASN A 57 15.903 -4.007 -21.080 1.00 0.00 C ATOM 861 CG ASN A 57 14.649 -3.976 -20.224 1.00 0.00 C ATOM 862 OD1 ASN A 57 13.938 -4.960 -20.085 1.00 0.00 O ATOM 863 ND2 ASN A 57 14.341 -2.848 -19.625 1.00 0.00 N ATOM 0 H ASN A 57 17.117 -4.880 -18.385 1.00 0.00 H new ATOM 0 HA ASN A 57 16.629 -5.846 -20.260 1.00 0.00 H new ATOM 0 HB2 ASN A 57 16.259 -2.988 -21.230 1.00 0.00 H new ATOM 0 HB3 ASN A 57 15.656 -4.407 -22.063 1.00 0.00 H new ATOM 0 HD21 ASN A 57 13.506 -2.792 -19.042 1.00 0.00 H new ATOM 0 HD22 ASN A 57 14.937 -2.029 -19.743 1.00 0.00 H new ATOM 870 N GLN A 58 18.761 -4.022 -21.991 1.00 0.00 N ATOM 871 CA GLN A 58 19.871 -4.005 -22.955 1.00 0.00 C ATOM 872 C GLN A 58 20.856 -2.832 -22.741 1.00 0.00 C ATOM 873 O GLN A 58 21.747 -2.614 -23.563 1.00 0.00 O ATOM 874 CB GLN A 58 19.287 -4.020 -24.382 1.00 0.00 C ATOM 875 CG GLN A 58 18.367 -2.825 -24.691 1.00 0.00 C ATOM 876 CD GLN A 58 17.957 -2.792 -26.163 1.00 0.00 C ATOM 877 OE1 GLN A 58 16.883 -3.234 -26.550 1.00 0.00 O ATOM 878 NE2 GLN A 58 18.794 -2.282 -27.045 1.00 0.00 N ATOM 0 H GLN A 58 18.432 -3.082 -21.771 1.00 0.00 H new ATOM 0 HA GLN A 58 20.474 -4.899 -22.796 1.00 0.00 H new ATOM 0 HB2 GLN A 58 20.107 -4.030 -25.100 1.00 0.00 H new ATOM 0 HB3 GLN A 58 18.727 -4.944 -24.525 1.00 0.00 H new ATOM 0 HG2 GLN A 58 17.476 -2.881 -24.066 1.00 0.00 H new ATOM 0 HG3 GLN A 58 18.878 -1.897 -24.435 1.00 0.00 H new ATOM 0 HE21 GLN A 58 19.693 -1.910 -26.739 1.00 0.00 H new ATOM 0 HE22 GLN A 58 18.543 -2.260 -28.033 1.00 0.00 H new ATOM 887 N ASP A 59 20.704 -2.068 -21.653 1.00 0.00 N ATOM 888 CA ASP A 59 21.449 -0.828 -21.379 1.00 0.00 C ATOM 889 C ASP A 59 22.283 -0.950 -20.100 1.00 0.00 C ATOM 890 O ASP A 59 21.762 -1.338 -19.057 1.00 0.00 O ATOM 891 CB ASP A 59 20.464 0.343 -21.258 1.00 0.00 C ATOM 892 CG ASP A 59 19.857 0.731 -22.616 1.00 0.00 C ATOM 893 OD1 ASP A 59 18.639 0.518 -22.826 1.00 0.00 O ATOM 894 OD2 ASP A 59 20.597 1.277 -23.471 1.00 0.00 O ATOM 0 H ASP A 59 20.040 -2.300 -20.915 1.00 0.00 H new ATOM 0 HA ASP A 59 22.135 -0.647 -22.207 1.00 0.00 H new ATOM 0 HB2 ASP A 59 19.665 0.074 -20.568 1.00 0.00 H new ATOM 0 HB3 ASP A 59 20.977 1.205 -20.831 1.00 0.00 H new ATOM 899 N VAL A 60 23.573 -0.599 -20.144 1.00 0.00 N ATOM 900 CA VAL A 60 24.420 -0.556 -18.935 1.00 0.00 C ATOM 901 C VAL A 60 24.069 0.647 -18.057 1.00 0.00 C ATOM 902 O VAL A 60 23.862 1.754 -18.556 1.00 0.00 O ATOM 903 CB VAL A 60 25.926 -0.637 -19.273 1.00 0.00 C ATOM 904 CG1 VAL A 60 26.436 0.511 -20.152 1.00 0.00 C ATOM 905 CG2 VAL A 60 26.788 -0.694 -18.006 1.00 0.00 C ATOM 0 H VAL A 60 24.059 -0.339 -21.003 1.00 0.00 H new ATOM 0 HA VAL A 60 24.203 -1.448 -18.348 1.00 0.00 H new ATOM 0 HB VAL A 60 26.022 -1.561 -19.843 1.00 0.00 H new ATOM 0 HG11 VAL A 60 27.501 0.378 -20.342 1.00 0.00 H new ATOM 0 HG12 VAL A 60 25.896 0.512 -21.099 1.00 0.00 H new ATOM 0 HG13 VAL A 60 26.274 1.460 -19.641 1.00 0.00 H new ATOM 0 HG21 VAL A 60 27.840 -0.750 -18.284 1.00 0.00 H new ATOM 0 HG22 VAL A 60 26.618 0.202 -17.410 1.00 0.00 H new ATOM 0 HG23 VAL A 60 26.519 -1.575 -17.422 1.00 0.00 H new ATOM 915 N ILE A 61 24.020 0.421 -16.739 1.00 0.00 N ATOM 916 CA ILE A 61 23.756 1.471 -15.738 1.00 0.00 C ATOM 917 C ILE A 61 24.785 1.527 -14.607 1.00 0.00 C ATOM 918 O ILE A 61 24.994 2.597 -14.038 1.00 0.00 O ATOM 919 CB ILE A 61 22.338 1.339 -15.154 1.00 0.00 C ATOM 920 CG1 ILE A 61 21.955 -0.096 -14.749 1.00 0.00 C ATOM 921 CG2 ILE A 61 21.310 1.930 -16.127 1.00 0.00 C ATOM 922 CD1 ILE A 61 20.785 -0.100 -13.763 1.00 0.00 C ATOM 0 H ILE A 61 24.163 -0.502 -16.330 1.00 0.00 H new ATOM 0 HA ILE A 61 23.842 2.412 -16.281 1.00 0.00 H new ATOM 0 HB ILE A 61 22.335 1.909 -14.225 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.687 -0.668 -15.637 1.00 0.00 H new ATOM 0 HG13 ILE A 61 22.815 -0.591 -14.298 1.00 0.00 H new ATOM 0 HG21 ILE A 61 20.310 1.831 -15.704 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.531 2.984 -16.294 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.357 1.395 -17.075 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.538 -1.127 -13.496 1.00 0.00 H new ATOM 0 HD12 ILE A 61 21.064 0.451 -12.865 1.00 0.00 H new ATOM 0 HD13 ILE A 61 19.918 0.373 -14.225 1.00 0.00 H new ATOM 934 N PHE A 62 25.443 0.408 -14.286 1.00 0.00 N ATOM 935 CA PHE A 62 26.515 0.372 -13.293 1.00 0.00 C ATOM 936 C PHE A 62 27.521 -0.734 -13.618 1.00 0.00 C ATOM 937 O PHE A 62 27.161 -1.793 -14.134 1.00 0.00 O ATOM 938 CB PHE A 62 25.917 0.235 -11.879 1.00 0.00 C ATOM 939 CG PHE A 62 26.949 -0.017 -10.789 1.00 0.00 C ATOM 940 CD1 PHE A 62 27.121 -1.300 -10.227 1.00 0.00 C ATOM 941 CD2 PHE A 62 27.807 1.029 -10.398 1.00 0.00 C ATOM 942 CE1 PHE A 62 28.160 -1.539 -9.305 1.00 0.00 C ATOM 943 CE2 PHE A 62 28.834 0.792 -9.469 1.00 0.00 C ATOM 944 CZ PHE A 62 29.011 -0.490 -8.926 1.00 0.00 C ATOM 0 H PHE A 62 25.245 -0.498 -14.710 1.00 0.00 H new ATOM 0 HA PHE A 62 27.068 1.311 -13.324 1.00 0.00 H new ATOM 0 HB2 PHE A 62 25.366 1.145 -11.640 1.00 0.00 H new ATOM 0 HB3 PHE A 62 25.197 -0.583 -11.879 1.00 0.00 H new ATOM 0 HD1 PHE A 62 26.454 -2.102 -10.505 1.00 0.00 H new ATOM 0 HD2 PHE A 62 27.675 2.017 -10.814 1.00 0.00 H new ATOM 0 HE1 PHE A 62 28.301 -2.527 -8.892 1.00 0.00 H new ATOM 0 HE2 PHE A 62 29.489 1.598 -9.172 1.00 0.00 H new ATOM 0 HZ PHE A 62 29.804 -0.669 -8.215 1.00 0.00 H new ATOM 954 N GLN A 63 28.790 -0.478 -13.311 1.00 0.00 N ATOM 955 CA GLN A 63 29.874 -1.449 -13.443 1.00 0.00 C ATOM 956 C GLN A 63 31.036 -1.147 -12.485 1.00 0.00 C ATOM 957 O GLN A 63 31.323 0.013 -12.185 1.00 0.00 O ATOM 958 CB GLN A 63 30.333 -1.545 -14.911 1.00 0.00 C ATOM 959 CG GLN A 63 30.853 -0.240 -15.533 1.00 0.00 C ATOM 960 CD GLN A 63 31.171 -0.412 -17.018 1.00 0.00 C ATOM 961 OE1 GLN A 63 30.580 0.218 -17.886 1.00 0.00 O ATOM 962 NE2 GLN A 63 32.109 -1.266 -17.375 1.00 0.00 N ATOM 0 H GLN A 63 29.100 0.427 -12.957 1.00 0.00 H new ATOM 0 HA GLN A 63 29.491 -2.427 -13.151 1.00 0.00 H new ATOM 0 HB2 GLN A 63 31.120 -2.297 -14.978 1.00 0.00 H new ATOM 0 HB3 GLN A 63 29.497 -1.904 -15.511 1.00 0.00 H new ATOM 0 HG2 GLN A 63 30.107 0.545 -15.409 1.00 0.00 H new ATOM 0 HG3 GLN A 63 31.749 0.084 -15.004 1.00 0.00 H new ATOM 0 HE21 GLN A 63 32.611 -1.799 -16.665 1.00 0.00 H new ATOM 0 HE22 GLN A 63 32.333 -1.394 -18.362 1.00 0.00 H new ATOM 971 N THR A 64 31.706 -2.196 -12.003 1.00 0.00 N ATOM 972 CA THR A 64 32.813 -2.117 -11.034 1.00 0.00 C ATOM 973 C THR A 64 33.753 -3.324 -11.146 1.00 0.00 C ATOM 974 O THR A 64 33.388 -4.350 -11.720 1.00 0.00 O ATOM 975 CB THR A 64 32.252 -1.983 -9.609 1.00 0.00 C ATOM 976 OG1 THR A 64 33.302 -1.707 -8.706 1.00 0.00 O ATOM 977 CG2 THR A 64 31.500 -3.227 -9.122 1.00 0.00 C ATOM 0 H THR A 64 31.491 -3.154 -12.281 1.00 0.00 H new ATOM 0 HA THR A 64 33.405 -1.231 -11.265 1.00 0.00 H new ATOM 0 HB THR A 64 31.533 -1.165 -9.644 1.00 0.00 H new ATOM 0 HG1 THR A 64 32.940 -1.621 -7.800 1.00 0.00 H new ATOM 0 HG21 THR A 64 31.134 -3.058 -8.109 1.00 0.00 H new ATOM 0 HG22 THR A 64 30.657 -3.425 -9.784 1.00 0.00 H new ATOM 0 HG23 THR A 64 32.174 -4.084 -9.125 1.00 0.00 H new ATOM 985 N PHE A 65 34.962 -3.220 -10.595 1.00 0.00 N ATOM 986 CA PHE A 65 35.938 -4.310 -10.568 1.00 0.00 C ATOM 987 C PHE A 65 35.846 -5.103 -9.250 1.00 0.00 C ATOM 988 O PHE A 65 35.858 -4.515 -8.165 1.00 0.00 O ATOM 989 CB PHE A 65 37.346 -3.748 -10.824 1.00 0.00 C ATOM 990 CG PHE A 65 38.201 -4.666 -11.671 1.00 0.00 C ATOM 991 CD1 PHE A 65 38.687 -5.872 -11.139 1.00 0.00 C ATOM 992 CD2 PHE A 65 38.470 -4.340 -13.014 1.00 0.00 C ATOM 993 CE1 PHE A 65 39.386 -6.773 -11.958 1.00 0.00 C ATOM 994 CE2 PHE A 65 39.204 -5.224 -13.822 1.00 0.00 C ATOM 995 CZ PHE A 65 39.643 -6.451 -13.304 1.00 0.00 C ATOM 0 H PHE A 65 35.296 -2.366 -10.149 1.00 0.00 H new ATOM 0 HA PHE A 65 35.713 -5.018 -11.365 1.00 0.00 H new ATOM 0 HB2 PHE A 65 37.261 -2.780 -11.318 1.00 0.00 H new ATOM 0 HB3 PHE A 65 37.842 -3.576 -9.869 1.00 0.00 H new ATOM 0 HD1 PHE A 65 38.523 -6.107 -10.098 1.00 0.00 H new ATOM 0 HD2 PHE A 65 38.111 -3.408 -13.424 1.00 0.00 H new ATOM 0 HE1 PHE A 65 39.727 -7.715 -11.555 1.00 0.00 H new ATOM 0 HE2 PHE A 65 39.431 -4.958 -14.844 1.00 0.00 H new ATOM 0 HZ PHE A 65 40.176 -7.146 -13.935 1.00 0.00 H new ATOM 1005 N LEU A 66 35.774 -6.434 -9.338 1.00 0.00 N ATOM 1006 CA LEU A 66 35.882 -7.359 -8.208 1.00 0.00 C ATOM 1007 C LEU A 66 37.268 -8.016 -8.140 1.00 0.00 C ATOM 1008 O LEU A 66 37.849 -8.397 -9.159 1.00 0.00 O ATOM 1009 CB LEU A 66 34.798 -8.444 -8.284 1.00 0.00 C ATOM 1010 CG LEU A 66 33.434 -8.104 -7.678 1.00 0.00 C ATOM 1011 CD1 LEU A 66 32.566 -9.353 -7.809 1.00 0.00 C ATOM 1012 CD2 LEU A 66 33.492 -7.786 -6.182 1.00 0.00 C ATOM 0 H LEU A 66 35.634 -6.913 -10.228 1.00 0.00 H new ATOM 0 HA LEU A 66 35.738 -6.772 -7.301 1.00 0.00 H new ATOM 0 HB2 LEU A 66 34.649 -8.701 -9.333 1.00 0.00 H new ATOM 0 HB3 LEU A 66 35.177 -9.337 -7.787 1.00 0.00 H new ATOM 0 HG LEU A 66 33.054 -7.226 -8.201 1.00 0.00 H new ATOM 0 HD11 LEU A 66 31.580 -9.157 -7.388 1.00 0.00 H new ATOM 0 HD12 LEU A 66 32.465 -9.617 -8.862 1.00 0.00 H new ATOM 0 HD13 LEU A 66 33.032 -10.178 -7.271 1.00 0.00 H new ATOM 0 HD21 LEU A 66 32.490 -7.554 -5.820 1.00 0.00 H new ATOM 0 HD22 LEU A 66 33.883 -8.648 -5.642 1.00 0.00 H new ATOM 0 HD23 LEU A 66 34.144 -6.928 -6.017 1.00 0.00 H new ATOM 1024 N PHE A 67 37.751 -8.217 -6.912 1.00 0.00 N ATOM 1025 CA PHE A 67 39.063 -8.803 -6.610 1.00 0.00 C ATOM 1026 C PHE A 67 38.913 -10.033 -5.686 1.00 0.00 C ATOM 1027 O PHE A 67 38.214 -9.943 -4.673 1.00 0.00 O ATOM 1028 CB PHE A 67 39.957 -7.729 -5.965 1.00 0.00 C ATOM 1029 CG PHE A 67 40.090 -6.429 -6.745 1.00 0.00 C ATOM 1030 CD1 PHE A 67 41.154 -6.243 -7.648 1.00 0.00 C ATOM 1031 CD2 PHE A 67 39.158 -5.391 -6.545 1.00 0.00 C ATOM 1032 CE1 PHE A 67 41.280 -5.026 -8.346 1.00 0.00 C ATOM 1033 CE2 PHE A 67 39.275 -4.184 -7.257 1.00 0.00 C ATOM 1034 CZ PHE A 67 40.338 -4.001 -8.157 1.00 0.00 C ATOM 0 H PHE A 67 37.226 -7.970 -6.073 1.00 0.00 H new ATOM 0 HA PHE A 67 39.529 -9.146 -7.534 1.00 0.00 H new ATOM 0 HB2 PHE A 67 39.562 -7.499 -4.975 1.00 0.00 H new ATOM 0 HB3 PHE A 67 40.952 -8.149 -5.821 1.00 0.00 H new ATOM 0 HD1 PHE A 67 41.873 -7.033 -7.805 1.00 0.00 H new ATOM 0 HD2 PHE A 67 38.350 -5.523 -5.841 1.00 0.00 H new ATOM 0 HE1 PHE A 67 42.104 -4.880 -9.029 1.00 0.00 H new ATOM 0 HE2 PHE A 67 38.548 -3.398 -7.112 1.00 0.00 H new ATOM 0 HZ PHE A 67 40.431 -3.074 -8.703 1.00 0.00 H new ATOM 1044 N PRO A 68 39.553 -11.180 -5.997 1.00 0.00 N ATOM 1045 CA PRO A 68 39.406 -12.428 -5.236 1.00 0.00 C ATOM 1046 C PRO A 68 40.256 -12.469 -3.951 1.00 0.00 C ATOM 1047 O PRO A 68 39.873 -13.122 -2.979 1.00 0.00 O ATOM 1048 CB PRO A 68 39.823 -13.527 -6.221 1.00 0.00 C ATOM 1049 CG PRO A 68 40.884 -12.828 -7.072 1.00 0.00 C ATOM 1050 CD PRO A 68 40.324 -11.423 -7.207 1.00 0.00 C ATOM 0 HA PRO A 68 38.384 -12.546 -4.875 1.00 0.00 H new ATOM 0 HB2 PRO A 68 40.226 -14.400 -5.707 1.00 0.00 H new ATOM 0 HB3 PRO A 68 38.983 -13.871 -6.824 1.00 0.00 H new ATOM 0 HG2 PRO A 68 41.860 -12.831 -6.587 1.00 0.00 H new ATOM 0 HG3 PRO A 68 41.009 -13.310 -8.042 1.00 0.00 H new ATOM 0 HD2 PRO A 68 41.126 -10.692 -7.312 1.00 0.00 H new ATOM 0 HD3 PRO A 68 39.696 -11.337 -8.094 1.00 0.00 H new ATOM 1058 N LEU A 69 41.409 -11.778 -3.937 1.00 0.00 N ATOM 1059 CA LEU A 69 42.355 -11.763 -2.808 1.00 0.00 C ATOM 1060 C LEU A 69 41.972 -10.731 -1.726 1.00 0.00 C ATOM 1061 O LEU A 69 42.278 -10.923 -0.547 1.00 0.00 O ATOM 1062 CB LEU A 69 43.765 -11.513 -3.385 1.00 0.00 C ATOM 1063 CG LEU A 69 44.926 -11.574 -2.370 1.00 0.00 C ATOM 1064 CD1 LEU A 69 45.053 -12.945 -1.704 1.00 0.00 C ATOM 1065 CD2 LEU A 69 46.243 -11.274 -3.088 1.00 0.00 C ATOM 0 H LEU A 69 41.715 -11.205 -4.723 1.00 0.00 H new ATOM 0 HA LEU A 69 42.328 -12.724 -2.294 1.00 0.00 H new ATOM 0 HB2 LEU A 69 43.952 -12.248 -4.168 1.00 0.00 H new ATOM 0 HB3 LEU A 69 43.774 -10.532 -3.860 1.00 0.00 H new ATOM 0 HG LEU A 69 44.712 -10.836 -1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 69 45.885 -12.932 -1.000 1.00 0.00 H new ATOM 0 HD12 LEU A 69 44.131 -13.178 -1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 69 45.234 -13.704 -2.465 1.00 0.00 H new ATOM 0 HD21 LEU A 69 47.065 -11.316 -2.373 1.00 0.00 H new ATOM 0 HD22 LEU A 69 46.406 -12.013 -3.873 1.00 0.00 H new ATOM 0 HD23 LEU A 69 46.198 -10.279 -3.530 1.00 0.00 H new ATOM 1077 N LYS A 70 41.289 -9.649 -2.127 1.00 0.00 N ATOM 1078 CA LYS A 70 40.774 -8.595 -1.227 1.00 0.00 C ATOM 1079 C LYS A 70 39.406 -8.968 -0.627 1.00 0.00 C ATOM 1080 O LYS A 70 38.712 -9.857 -1.122 1.00 0.00 O ATOM 1081 CB LYS A 70 40.733 -7.239 -1.957 1.00 0.00 C ATOM 1082 CG LYS A 70 42.136 -6.702 -2.287 1.00 0.00 C ATOM 1083 CD LYS A 70 42.048 -5.337 -2.994 1.00 0.00 C ATOM 1084 CE LYS A 70 43.405 -4.618 -3.089 1.00 0.00 C ATOM 1085 NZ LYS A 70 44.372 -5.302 -3.997 1.00 0.00 N ATOM 0 H LYS A 70 41.072 -9.474 -3.108 1.00 0.00 H new ATOM 0 HA LYS A 70 41.462 -8.504 -0.386 1.00 0.00 H new ATOM 0 HB2 LYS A 70 40.162 -7.344 -2.880 1.00 0.00 H new ATOM 0 HB3 LYS A 70 40.207 -6.513 -1.338 1.00 0.00 H new ATOM 0 HG2 LYS A 70 42.718 -6.605 -1.370 1.00 0.00 H new ATOM 0 HG3 LYS A 70 42.662 -7.413 -2.924 1.00 0.00 H new ATOM 0 HD2 LYS A 70 41.648 -5.480 -3.998 1.00 0.00 H new ATOM 0 HD3 LYS A 70 41.344 -4.701 -2.458 1.00 0.00 H new ATOM 0 HE2 LYS A 70 43.245 -3.599 -3.441 1.00 0.00 H new ATOM 0 HE3 LYS A 70 43.841 -4.546 -2.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 45.265 -4.769 -4.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 44.552 -6.266 -3.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 43.974 -5.348 -4.957 1.00 0.00 H new ATOM 1099 N ARG A 71 39.019 -8.262 0.446 1.00 0.00 N ATOM 1100 CA ARG A 71 37.818 -8.536 1.273 1.00 0.00 C ATOM 1101 C ARG A 71 36.661 -7.544 1.089 1.00 0.00 C ATOM 1102 O ARG A 71 35.776 -7.449 1.939 1.00 0.00 O ATOM 1103 CB ARG A 71 38.254 -8.791 2.732 1.00 0.00 C ATOM 1104 CG ARG A 71 38.755 -7.543 3.484 1.00 0.00 C ATOM 1105 CD ARG A 71 39.584 -7.908 4.723 1.00 0.00 C ATOM 1106 NE ARG A 71 38.827 -8.719 5.702 1.00 0.00 N ATOM 1107 CZ ARG A 71 39.335 -9.415 6.707 1.00 0.00 C ATOM 1108 NH1 ARG A 71 40.612 -9.432 6.965 1.00 0.00 N ATOM 1109 NH2 ARG A 71 38.558 -10.116 7.485 1.00 0.00 N ATOM 0 H ARG A 71 39.547 -7.455 0.779 1.00 0.00 H new ATOM 0 HA ARG A 71 37.353 -9.451 0.905 1.00 0.00 H new ATOM 0 HB2 ARG A 71 37.412 -9.214 3.279 1.00 0.00 H new ATOM 0 HB3 ARG A 71 39.045 -9.541 2.734 1.00 0.00 H new ATOM 0 HG2 ARG A 71 39.359 -6.933 2.812 1.00 0.00 H new ATOM 0 HG3 ARG A 71 37.902 -6.935 3.786 1.00 0.00 H new ATOM 0 HD2 ARG A 71 40.471 -8.459 4.411 1.00 0.00 H new ATOM 0 HD3 ARG A 71 39.929 -6.994 5.206 1.00 0.00 H new ATOM 0 HE ARG A 71 37.813 -8.744 5.592 1.00 0.00 H new ATOM 0 HH11 ARG A 71 41.257 -8.897 6.384 1.00 0.00 H new ATOM 0 HH12 ARG A 71 40.967 -9.980 7.748 1.00 0.00 H new ATOM 0 HH21 ARG A 71 37.551 -10.131 7.321 1.00 0.00 H new ATOM 0 HH22 ARG A 71 38.957 -10.650 8.257 1.00 0.00 H new ATOM 1123 N ASP A 72 36.647 -6.811 -0.026 1.00 0.00 N ATOM 1124 CA ASP A 72 35.583 -5.852 -0.376 1.00 0.00 C ATOM 1125 C ASP A 72 34.321 -6.493 -0.965 1.00 0.00 C ATOM 1126 O ASP A 72 33.294 -5.824 -1.000 1.00 0.00 O ATOM 1127 CB ASP A 72 36.102 -4.786 -1.350 1.00 0.00 C ATOM 1128 CG ASP A 72 36.351 -5.354 -2.763 1.00 0.00 C ATOM 1129 OD1 ASP A 72 35.435 -5.271 -3.619 1.00 0.00 O ATOM 1130 OD2 ASP A 72 37.456 -5.899 -2.996 1.00 0.00 O ATOM 0 H ASP A 72 37.386 -6.864 -0.727 1.00 0.00 H new ATOM 0 HA ASP A 72 35.296 -5.398 0.573 1.00 0.00 H new ATOM 0 HB2 ASP A 72 35.381 -3.971 -1.411 1.00 0.00 H new ATOM 0 HB3 ASP A 72 37.029 -4.364 -0.962 1.00 0.00 H new ATOM 1135 N PHE A 73 34.367 -7.755 -1.413 1.00 0.00 N ATOM 1136 CA PHE A 73 33.306 -8.386 -2.218 1.00 0.00 C ATOM 1137 C PHE A 73 31.891 -8.156 -1.662 1.00 0.00 C ATOM 1138 O PHE A 73 31.013 -7.703 -2.391 1.00 0.00 O ATOM 1139 CB PHE A 73 33.632 -9.885 -2.375 1.00 0.00 C ATOM 1140 CG PHE A 73 32.495 -10.729 -2.922 1.00 0.00 C ATOM 1141 CD1 PHE A 73 32.429 -11.018 -4.297 1.00 0.00 C ATOM 1142 CD2 PHE A 73 31.489 -11.208 -2.057 1.00 0.00 C ATOM 1143 CE1 PHE A 73 31.343 -11.746 -4.815 1.00 0.00 C ATOM 1144 CE2 PHE A 73 30.398 -11.923 -2.574 1.00 0.00 C ATOM 1145 CZ PHE A 73 30.321 -12.178 -3.950 1.00 0.00 C ATOM 0 H PHE A 73 35.153 -8.377 -1.225 1.00 0.00 H new ATOM 0 HA PHE A 73 33.293 -7.907 -3.197 1.00 0.00 H new ATOM 0 HB2 PHE A 73 34.493 -9.988 -3.036 1.00 0.00 H new ATOM 0 HB3 PHE A 73 33.926 -10.282 -1.404 1.00 0.00 H new ATOM 0 HD1 PHE A 73 33.214 -10.680 -4.957 1.00 0.00 H new ATOM 0 HD2 PHE A 73 31.559 -11.024 -0.995 1.00 0.00 H new ATOM 0 HE1 PHE A 73 31.294 -11.972 -5.870 1.00 0.00 H new ATOM 0 HE2 PHE A 73 29.620 -12.276 -1.913 1.00 0.00 H new ATOM 0 HZ PHE A 73 29.470 -12.710 -4.349 1.00 0.00 H new ATOM 1155 N GLU A 74 31.678 -8.381 -0.360 1.00 0.00 N ATOM 1156 CA GLU A 74 30.363 -8.196 0.278 1.00 0.00 C ATOM 1157 C GLU A 74 29.897 -6.734 0.216 1.00 0.00 C ATOM 1158 O GLU A 74 28.748 -6.440 -0.113 1.00 0.00 O ATOM 1159 CB GLU A 74 30.455 -8.664 1.736 1.00 0.00 C ATOM 1160 CG GLU A 74 29.075 -8.963 2.328 1.00 0.00 C ATOM 1161 CD GLU A 74 29.196 -9.428 3.793 1.00 0.00 C ATOM 1162 OE1 GLU A 74 29.377 -8.570 4.692 1.00 0.00 O ATOM 1163 OE2 GLU A 74 29.110 -10.652 4.057 1.00 0.00 O ATOM 0 H GLU A 74 32.407 -8.695 0.281 1.00 0.00 H new ATOM 0 HA GLU A 74 29.626 -8.788 -0.264 1.00 0.00 H new ATOM 0 HB2 GLU A 74 31.075 -9.558 1.792 1.00 0.00 H new ATOM 0 HB3 GLU A 74 30.948 -7.897 2.333 1.00 0.00 H new ATOM 0 HG2 GLU A 74 28.451 -8.071 2.275 1.00 0.00 H new ATOM 0 HG3 GLU A 74 28.580 -9.734 1.737 1.00 0.00 H new ATOM 1170 N LYS A 75 30.829 -5.808 0.462 1.00 0.00 N ATOM 1171 CA LYS A 75 30.595 -4.359 0.427 1.00 0.00 C ATOM 1172 C LYS A 75 30.285 -3.898 -0.997 1.00 0.00 C ATOM 1173 O LYS A 75 29.297 -3.205 -1.217 1.00 0.00 O ATOM 1174 CB LYS A 75 31.792 -3.600 1.046 1.00 0.00 C ATOM 1175 CG LYS A 75 32.042 -4.019 2.510 1.00 0.00 C ATOM 1176 CD LYS A 75 33.202 -5.020 2.662 1.00 0.00 C ATOM 1177 CE LYS A 75 33.066 -5.815 3.968 1.00 0.00 C ATOM 1178 NZ LYS A 75 34.309 -6.584 4.277 1.00 0.00 N ATOM 0 H LYS A 75 31.792 -6.050 0.697 1.00 0.00 H new ATOM 0 HA LYS A 75 29.721 -4.126 1.035 1.00 0.00 H new ATOM 0 HB2 LYS A 75 32.688 -3.791 0.455 1.00 0.00 H new ATOM 0 HB3 LYS A 75 31.604 -2.527 1.002 1.00 0.00 H new ATOM 0 HG2 LYS A 75 32.256 -3.131 3.104 1.00 0.00 H new ATOM 0 HG3 LYS A 75 31.132 -4.462 2.915 1.00 0.00 H new ATOM 0 HD2 LYS A 75 33.212 -5.704 1.814 1.00 0.00 H new ATOM 0 HD3 LYS A 75 34.153 -4.487 2.653 1.00 0.00 H new ATOM 0 HE2 LYS A 75 32.847 -5.132 4.789 1.00 0.00 H new ATOM 0 HE3 LYS A 75 32.223 -6.501 3.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 34.062 -7.445 4.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 34.785 -6.846 3.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 34.947 -5.997 4.852 1.00 0.00 H new ATOM 1192 N THR A 76 31.047 -4.380 -1.976 1.00 0.00 N ATOM 1193 CA THR A 76 30.834 -4.138 -3.411 1.00 0.00 C ATOM 1194 C THR A 76 29.489 -4.695 -3.899 1.00 0.00 C ATOM 1195 O THR A 76 28.791 -4.005 -4.640 1.00 0.00 O ATOM 1196 CB THR A 76 32.029 -4.695 -4.212 1.00 0.00 C ATOM 1197 OG1 THR A 76 33.158 -3.910 -3.905 1.00 0.00 O ATOM 1198 CG2 THR A 76 31.825 -4.626 -5.728 1.00 0.00 C ATOM 0 H THR A 76 31.858 -4.970 -1.792 1.00 0.00 H new ATOM 0 HA THR A 76 30.781 -3.062 -3.579 1.00 0.00 H new ATOM 0 HB THR A 76 32.145 -5.743 -3.937 1.00 0.00 H new ATOM 0 HG1 THR A 76 33.972 -4.436 -4.050 1.00 0.00 H new ATOM 0 HG21 THR A 76 32.702 -5.033 -6.232 1.00 0.00 H new ATOM 0 HG22 THR A 76 30.945 -5.207 -6.004 1.00 0.00 H new ATOM 0 HG23 THR A 76 31.683 -3.588 -6.029 1.00 0.00 H new ATOM 1206 N VAL A 77 29.056 -5.871 -3.426 1.00 0.00 N ATOM 1207 CA VAL A 77 27.709 -6.415 -3.702 1.00 0.00 C ATOM 1208 C VAL A 77 26.633 -5.488 -3.140 1.00 0.00 C ATOM 1209 O VAL A 77 25.770 -5.048 -3.894 1.00 0.00 O ATOM 1210 CB VAL A 77 27.540 -7.851 -3.159 1.00 0.00 C ATOM 1211 CG1 VAL A 77 26.076 -8.315 -3.160 1.00 0.00 C ATOM 1212 CG2 VAL A 77 28.322 -8.857 -4.009 1.00 0.00 C ATOM 0 H VAL A 77 29.628 -6.478 -2.839 1.00 0.00 H new ATOM 0 HA VAL A 77 27.593 -6.469 -4.784 1.00 0.00 H new ATOM 0 HB VAL A 77 27.916 -7.818 -2.136 1.00 0.00 H new ATOM 0 HG11 VAL A 77 26.016 -9.331 -2.769 1.00 0.00 H new ATOM 0 HG12 VAL A 77 25.483 -7.649 -2.533 1.00 0.00 H new ATOM 0 HG13 VAL A 77 25.689 -8.295 -4.179 1.00 0.00 H new ATOM 0 HG21 VAL A 77 28.185 -9.860 -3.604 1.00 0.00 H new ATOM 0 HG22 VAL A 77 27.957 -8.827 -5.036 1.00 0.00 H new ATOM 0 HG23 VAL A 77 29.381 -8.601 -3.993 1.00 0.00 H new ATOM 1222 N VAL A 78 26.692 -5.139 -1.849 1.00 0.00 N ATOM 1223 CA VAL A 78 25.673 -4.292 -1.194 1.00 0.00 C ATOM 1224 C VAL A 78 25.610 -2.904 -1.835 1.00 0.00 C ATOM 1225 O VAL A 78 24.527 -2.367 -2.067 1.00 0.00 O ATOM 1226 CB VAL A 78 25.936 -4.199 0.323 1.00 0.00 C ATOM 1227 CG1 VAL A 78 25.033 -3.183 1.035 1.00 0.00 C ATOM 1228 CG2 VAL A 78 25.684 -5.560 0.983 1.00 0.00 C ATOM 0 H VAL A 78 27.444 -5.432 -1.225 1.00 0.00 H new ATOM 0 HA VAL A 78 24.700 -4.761 -1.338 1.00 0.00 H new ATOM 0 HB VAL A 78 26.973 -3.878 0.423 1.00 0.00 H new ATOM 0 HG11 VAL A 78 25.270 -3.168 2.099 1.00 0.00 H new ATOM 0 HG12 VAL A 78 25.197 -2.192 0.613 1.00 0.00 H new ATOM 0 HG13 VAL A 78 23.989 -3.467 0.900 1.00 0.00 H new ATOM 0 HG21 VAL A 78 25.872 -5.485 2.054 1.00 0.00 H new ATOM 0 HG22 VAL A 78 24.649 -5.859 0.816 1.00 0.00 H new ATOM 0 HG23 VAL A 78 26.351 -6.304 0.548 1.00 0.00 H new ATOM 1238 N ALA A 79 26.761 -2.347 -2.209 1.00 0.00 N ATOM 1239 CA ALA A 79 26.853 -1.037 -2.839 1.00 0.00 C ATOM 1240 C ALA A 79 26.302 -1.042 -4.271 1.00 0.00 C ATOM 1241 O ALA A 79 25.732 -0.048 -4.718 1.00 0.00 O ATOM 1242 CB ALA A 79 28.322 -0.620 -2.785 1.00 0.00 C ATOM 0 H ALA A 79 27.665 -2.801 -2.080 1.00 0.00 H new ATOM 0 HA ALA A 79 26.235 -0.315 -2.305 1.00 0.00 H new ATOM 0 HB1 ALA A 79 28.439 0.360 -3.248 1.00 0.00 H new ATOM 0 HB2 ALA A 79 28.649 -0.572 -1.746 1.00 0.00 H new ATOM 0 HB3 ALA A 79 28.927 -1.350 -3.323 1.00 0.00 H new ATOM 1248 N ALA A 80 26.427 -2.147 -5.011 1.00 0.00 N ATOM 1249 CA ALA A 80 25.847 -2.278 -6.348 1.00 0.00 C ATOM 1250 C ALA A 80 24.311 -2.248 -6.322 1.00 0.00 C ATOM 1251 O ALA A 80 23.705 -1.777 -7.278 1.00 0.00 O ATOM 1252 CB ALA A 80 26.365 -3.575 -6.979 1.00 0.00 C ATOM 0 H ALA A 80 26.933 -2.976 -4.699 1.00 0.00 H new ATOM 0 HA ALA A 80 26.155 -1.423 -6.950 1.00 0.00 H new ATOM 0 HB1 ALA A 80 25.942 -3.688 -7.977 1.00 0.00 H new ATOM 0 HB2 ALA A 80 27.452 -3.537 -7.048 1.00 0.00 H new ATOM 0 HB3 ALA A 80 26.070 -4.423 -6.361 1.00 0.00 H new ATOM 1258 N LEU A 81 23.676 -2.667 -5.221 1.00 0.00 N ATOM 1259 CA LEU A 81 22.210 -2.638 -5.074 1.00 0.00 C ATOM 1260 C LEU A 81 21.699 -1.188 -5.144 1.00 0.00 C ATOM 1261 O LEU A 81 20.802 -0.863 -5.921 1.00 0.00 O ATOM 1262 CB LEU A 81 21.775 -3.274 -3.734 1.00 0.00 C ATOM 1263 CG LEU A 81 22.365 -4.649 -3.383 1.00 0.00 C ATOM 1264 CD1 LEU A 81 21.985 -5.026 -1.954 1.00 0.00 C ATOM 1265 CD2 LEU A 81 21.903 -5.769 -4.308 1.00 0.00 C ATOM 0 H LEU A 81 24.162 -3.037 -4.404 1.00 0.00 H new ATOM 0 HA LEU A 81 21.778 -3.216 -5.891 1.00 0.00 H new ATOM 0 HB2 LEU A 81 22.033 -2.582 -2.932 1.00 0.00 H new ATOM 0 HB3 LEU A 81 20.689 -3.364 -3.740 1.00 0.00 H new ATOM 0 HG LEU A 81 23.444 -4.549 -3.500 1.00 0.00 H new ATOM 0 HD11 LEU A 81 22.406 -6.002 -1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 81 22.378 -4.279 -1.264 1.00 0.00 H new ATOM 0 HD13 LEU A 81 20.899 -5.067 -1.865 1.00 0.00 H new ATOM 0 HD21 LEU A 81 22.361 -6.709 -3.998 1.00 0.00 H new ATOM 0 HD22 LEU A 81 20.818 -5.859 -4.256 1.00 0.00 H new ATOM 0 HD23 LEU A 81 22.200 -5.541 -5.332 1.00 0.00 H new ATOM 1277 N ILE A 82 22.346 -0.302 -4.377 1.00 0.00 N ATOM 1278 CA ILE A 82 22.035 1.136 -4.323 1.00 0.00 C ATOM 1279 C ILE A 82 22.411 1.802 -5.654 1.00 0.00 C ATOM 1280 O ILE A 82 21.607 2.513 -6.249 1.00 0.00 O ATOM 1281 CB ILE A 82 22.746 1.797 -3.114 1.00 0.00 C ATOM 1282 CG1 ILE A 82 22.321 1.123 -1.784 1.00 0.00 C ATOM 1283 CG2 ILE A 82 22.440 3.307 -3.073 1.00 0.00 C ATOM 1284 CD1 ILE A 82 23.104 1.601 -0.552 1.00 0.00 C ATOM 0 H ILE A 82 23.116 -0.568 -3.763 1.00 0.00 H new ATOM 0 HA ILE A 82 20.963 1.273 -4.178 1.00 0.00 H new ATOM 0 HB ILE A 82 23.821 1.660 -3.235 1.00 0.00 H new ATOM 0 HG12 ILE A 82 21.260 1.309 -1.619 1.00 0.00 H new ATOM 0 HG13 ILE A 82 22.444 0.044 -1.882 1.00 0.00 H new ATOM 0 HG21 ILE A 82 22.946 3.758 -2.219 1.00 0.00 H new ATOM 0 HG22 ILE A 82 22.793 3.775 -3.992 1.00 0.00 H new ATOM 0 HG23 ILE A 82 21.365 3.458 -2.979 1.00 0.00 H new ATOM 0 HD11 ILE A 82 22.743 1.079 0.334 1.00 0.00 H new ATOM 0 HD12 ILE A 82 24.164 1.390 -0.690 1.00 0.00 H new ATOM 0 HD13 ILE A 82 22.961 2.674 -0.424 1.00 0.00 H new ATOM 1296 N GLN A 83 23.607 1.527 -6.179 1.00 0.00 N ATOM 1297 CA GLN A 83 24.094 2.169 -7.412 1.00 0.00 C ATOM 1298 C GLN A 83 23.301 1.750 -8.663 1.00 0.00 C ATOM 1299 O GLN A 83 23.196 2.523 -9.615 1.00 0.00 O ATOM 1300 CB GLN A 83 25.595 1.886 -7.568 1.00 0.00 C ATOM 1301 CG GLN A 83 26.391 2.630 -6.483 1.00 0.00 C ATOM 1302 CD GLN A 83 27.862 2.227 -6.458 1.00 0.00 C ATOM 1303 OE1 GLN A 83 28.164 1.044 -5.964 1.00 0.00 O flip ATOM 1304 NE2 GLN A 83 28.751 2.962 -6.862 1.00 0.00 N flip ATOM 0 H GLN A 83 24.263 0.861 -5.770 1.00 0.00 H new ATOM 0 HA GLN A 83 23.935 3.243 -7.319 1.00 0.00 H new ATOM 0 HB2 GLN A 83 25.780 0.814 -7.495 1.00 0.00 H new ATOM 0 HB3 GLN A 83 25.931 2.201 -8.556 1.00 0.00 H new ATOM 0 HG2 GLN A 83 26.315 3.704 -6.653 1.00 0.00 H new ATOM 0 HG3 GLN A 83 25.946 2.429 -5.508 1.00 0.00 H new ATOM 0 HE21 GLN A 83 28.520 3.879 -7.245 1.00 0.00 H new ATOM 0 HE22 GLN A 83 29.724 2.659 -6.816 1.00 0.00 H new ATOM 1313 N THR A 84 22.670 0.572 -8.634 1.00 0.00 N ATOM 1314 CA THR A 84 21.715 0.132 -9.663 1.00 0.00 C ATOM 1315 C THR A 84 20.461 1.008 -9.673 1.00 0.00 C ATOM 1316 O THR A 84 20.059 1.469 -10.738 1.00 0.00 O ATOM 1317 CB THR A 84 21.337 -1.341 -9.461 1.00 0.00 C ATOM 1318 OG1 THR A 84 22.481 -2.144 -9.629 1.00 0.00 O ATOM 1319 CG2 THR A 84 20.342 -1.859 -10.484 1.00 0.00 C ATOM 0 H THR A 84 22.807 -0.112 -7.889 1.00 0.00 H new ATOM 0 HA THR A 84 22.205 0.236 -10.631 1.00 0.00 H new ATOM 0 HB THR A 84 20.901 -1.393 -8.463 1.00 0.00 H new ATOM 0 HG1 THR A 84 23.142 -1.920 -8.941 1.00 0.00 H new ATOM 0 HG21 THR A 84 20.122 -2.907 -10.279 1.00 0.00 H new ATOM 0 HG22 THR A 84 19.423 -1.276 -10.425 1.00 0.00 H new ATOM 0 HG23 THR A 84 20.766 -1.766 -11.484 1.00 0.00 H new ATOM 1327 N GLU A 85 19.848 1.302 -8.518 1.00 0.00 N ATOM 1328 CA GLU A 85 18.674 2.188 -8.503 1.00 0.00 C ATOM 1329 C GLU A 85 19.055 3.657 -8.726 1.00 0.00 C ATOM 1330 O GLU A 85 18.301 4.378 -9.368 1.00 0.00 O ATOM 1331 CB GLU A 85 17.805 2.007 -7.247 1.00 0.00 C ATOM 1332 CG GLU A 85 18.466 2.404 -5.922 1.00 0.00 C ATOM 1333 CD GLU A 85 17.407 2.719 -4.849 1.00 0.00 C ATOM 1334 OE1 GLU A 85 16.991 3.900 -4.743 1.00 0.00 O ATOM 1335 OE2 GLU A 85 16.991 1.797 -4.106 1.00 0.00 O ATOM 0 H GLU A 85 20.135 0.951 -7.604 1.00 0.00 H new ATOM 0 HA GLU A 85 18.058 1.884 -9.349 1.00 0.00 H new ATOM 0 HB2 GLU A 85 16.895 2.594 -7.369 1.00 0.00 H new ATOM 0 HB3 GLU A 85 17.503 0.962 -7.183 1.00 0.00 H new ATOM 0 HG2 GLU A 85 19.110 1.595 -5.576 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.103 3.275 -6.076 1.00 0.00 H new ATOM 1342 N GLU A 86 20.241 4.105 -8.304 1.00 0.00 N ATOM 1343 CA GLU A 86 20.670 5.504 -8.457 1.00 0.00 C ATOM 1344 C GLU A 86 20.809 5.952 -9.918 1.00 0.00 C ATOM 1345 O GLU A 86 20.575 7.123 -10.223 1.00 0.00 O ATOM 1346 CB GLU A 86 21.972 5.744 -7.683 1.00 0.00 C ATOM 1347 CG GLU A 86 21.710 5.782 -6.175 1.00 0.00 C ATOM 1348 CD GLU A 86 21.164 7.156 -5.735 1.00 0.00 C ATOM 1349 OE1 GLU A 86 21.951 7.989 -5.221 1.00 0.00 O ATOM 1350 OE2 GLU A 86 19.947 7.411 -5.914 1.00 0.00 O ATOM 0 H GLU A 86 20.933 3.511 -7.847 1.00 0.00 H new ATOM 0 HA GLU A 86 19.875 6.120 -8.036 1.00 0.00 H new ATOM 0 HB2 GLU A 86 22.687 4.954 -7.912 1.00 0.00 H new ATOM 0 HB3 GLU A 86 22.422 6.684 -8.002 1.00 0.00 H new ATOM 0 HG2 GLU A 86 20.997 5.002 -5.908 1.00 0.00 H new ATOM 0 HG3 GLU A 86 22.634 5.566 -5.638 1.00 0.00 H new ATOM 1357 N ALA A 87 21.079 5.019 -10.838 1.00 0.00 N ATOM 1358 CA ALA A 87 20.967 5.266 -12.274 1.00 0.00 C ATOM 1359 C ALA A 87 19.516 5.543 -12.698 1.00 0.00 C ATOM 1360 O ALA A 87 19.246 6.478 -13.444 1.00 0.00 O ATOM 1361 CB ALA A 87 21.519 4.041 -13.010 1.00 0.00 C ATOM 0 H ALA A 87 21.381 4.073 -10.605 1.00 0.00 H new ATOM 0 HA ALA A 87 21.540 6.157 -12.530 1.00 0.00 H new ATOM 0 HB1 ALA A 87 21.447 4.200 -14.086 1.00 0.00 H new ATOM 0 HB2 ALA A 87 22.563 3.891 -12.735 1.00 0.00 H new ATOM 0 HB3 ALA A 87 20.941 3.159 -12.734 1.00 0.00 H new ATOM 1367 N LEU A 88 18.560 4.747 -12.206 1.00 0.00 N ATOM 1368 CA LEU A 88 17.146 4.797 -12.605 1.00 0.00 C ATOM 1369 C LEU A 88 16.365 5.889 -11.857 1.00 0.00 C ATOM 1370 O LEU A 88 15.343 6.370 -12.349 1.00 0.00 O ATOM 1371 CB LEU A 88 16.514 3.408 -12.405 1.00 0.00 C ATOM 1372 CG LEU A 88 17.273 2.205 -12.993 1.00 0.00 C ATOM 1373 CD1 LEU A 88 16.449 0.953 -12.770 1.00 0.00 C ATOM 1374 CD2 LEU A 88 17.522 2.356 -14.489 1.00 0.00 C ATOM 0 H LEU A 88 18.751 4.033 -11.503 1.00 0.00 H new ATOM 0 HA LEU A 88 17.095 5.065 -13.660 1.00 0.00 H new ATOM 0 HB2 LEU A 88 16.392 3.242 -11.335 1.00 0.00 H new ATOM 0 HB3 LEU A 88 15.515 3.424 -12.841 1.00 0.00 H new ATOM 0 HG LEU A 88 18.239 2.145 -12.493 1.00 0.00 H new ATOM 0 HD11 LEU A 88 16.976 0.092 -13.182 1.00 0.00 H new ATOM 0 HD12 LEU A 88 16.293 0.805 -11.701 1.00 0.00 H new ATOM 0 HD13 LEU A 88 15.484 1.059 -13.266 1.00 0.00 H new ATOM 0 HD21 LEU A 88 18.060 1.483 -14.858 1.00 0.00 H new ATOM 0 HD22 LEU A 88 16.568 2.441 -15.010 1.00 0.00 H new ATOM 0 HD23 LEU A 88 18.116 3.252 -14.670 1.00 0.00 H new ATOM 1386 N ASN A 89 16.894 6.336 -10.719 1.00 0.00 N ATOM 1387 CA ASN A 89 16.363 7.387 -9.852 1.00 0.00 C ATOM 1388 C ASN A 89 16.310 8.759 -10.531 1.00 0.00 C ATOM 1389 O ASN A 89 15.418 9.553 -10.246 1.00 0.00 O ATOM 1390 CB ASN A 89 17.187 7.395 -8.549 1.00 0.00 C ATOM 1391 CG ASN A 89 16.708 6.377 -7.513 1.00 0.00 C ATOM 1392 OD1 ASN A 89 15.618 5.828 -7.578 1.00 0.00 O ATOM 1393 ND2 ASN A 89 17.496 6.110 -6.505 1.00 0.00 N ATOM 0 H ASN A 89 17.763 5.947 -10.354 1.00 0.00 H new ATOM 0 HA ASN A 89 15.321 7.167 -9.621 1.00 0.00 H new ATOM 0 HB2 ASN A 89 18.231 7.193 -8.788 1.00 0.00 H new ATOM 0 HB3 ASN A 89 17.148 8.392 -8.111 1.00 0.00 H new ATOM 0 HD21 ASN A 89 17.198 5.451 -5.786 1.00 0.00 H new ATOM 0 HD22 ASN A 89 18.409 6.561 -6.438 1.00 0.00 H new ATOM 1400 N ARG A 90 17.202 9.000 -11.498 1.00 0.00 N ATOM 1401 CA ARG A 90 17.186 10.197 -12.366 1.00 0.00 C ATOM 1402 C ARG A 90 16.452 9.989 -13.707 1.00 0.00 C ATOM 1403 O ARG A 90 16.050 10.960 -14.338 1.00 0.00 O ATOM 1404 CB ARG A 90 18.627 10.752 -12.451 1.00 0.00 C ATOM 1405 CG ARG A 90 19.504 10.214 -13.594 1.00 0.00 C ATOM 1406 CD ARG A 90 19.412 11.116 -14.832 1.00 0.00 C ATOM 1407 NE ARG A 90 20.166 10.549 -15.968 1.00 0.00 N ATOM 1408 CZ ARG A 90 20.111 10.941 -17.230 1.00 0.00 C ATOM 1409 NH1 ARG A 90 19.340 11.917 -17.622 1.00 0.00 N ATOM 1410 NH2 ARG A 90 20.836 10.350 -18.135 1.00 0.00 N ATOM 0 H ARG A 90 17.970 8.363 -11.708 1.00 0.00 H new ATOM 0 HA ARG A 90 16.566 10.974 -11.919 1.00 0.00 H new ATOM 0 HB2 ARG A 90 18.570 11.836 -12.547 1.00 0.00 H new ATOM 0 HB3 ARG A 90 19.130 10.541 -11.507 1.00 0.00 H new ATOM 0 HG2 ARG A 90 20.540 10.151 -13.262 1.00 0.00 H new ATOM 0 HG3 ARG A 90 19.190 9.203 -13.853 1.00 0.00 H new ATOM 0 HD2 ARG A 90 18.367 11.244 -15.114 1.00 0.00 H new ATOM 0 HD3 ARG A 90 19.801 12.106 -14.593 1.00 0.00 H new ATOM 0 HE ARG A 90 20.795 9.774 -15.757 1.00 0.00 H new ATOM 0 HH11 ARG A 90 18.753 12.406 -16.946 1.00 0.00 H new ATOM 0 HH12 ARG A 90 19.324 12.191 -18.604 1.00 0.00 H new ATOM 0 HH21 ARG A 90 21.451 9.580 -17.873 1.00 0.00 H new ATOM 0 HH22 ARG A 90 20.789 10.657 -19.107 1.00 0.00 H new ATOM 1424 N ARG A 91 16.251 8.726 -14.119 1.00 0.00 N ATOM 1425 CA ARG A 91 15.663 8.336 -15.428 1.00 0.00 C ATOM 1426 C ARG A 91 14.133 8.304 -15.409 1.00 0.00 C ATOM 1427 O ARG A 91 13.485 8.946 -16.230 1.00 0.00 O ATOM 1428 CB ARG A 91 16.178 6.948 -15.860 1.00 0.00 C ATOM 1429 CG ARG A 91 17.659 6.893 -16.258 1.00 0.00 C ATOM 1430 CD ARG A 91 18.125 5.425 -16.393 1.00 0.00 C ATOM 1431 NE ARG A 91 18.737 5.167 -17.715 1.00 0.00 N ATOM 1432 CZ ARG A 91 18.174 4.676 -18.808 1.00 0.00 C ATOM 1433 NH1 ARG A 91 16.922 4.319 -18.857 1.00 0.00 N ATOM 1434 NH2 ARG A 91 18.878 4.533 -19.893 1.00 0.00 N ATOM 0 H ARG A 91 16.497 7.922 -13.542 1.00 0.00 H new ATOM 0 HA ARG A 91 15.977 9.100 -16.139 1.00 0.00 H new ATOM 0 HB2 ARG A 91 16.012 6.247 -15.042 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.579 6.603 -16.703 1.00 0.00 H new ATOM 0 HG2 ARG A 91 17.808 7.417 -17.202 1.00 0.00 H new ATOM 0 HG3 ARG A 91 18.263 7.406 -15.509 1.00 0.00 H new ATOM 0 HD2 ARG A 91 18.846 5.198 -15.607 1.00 0.00 H new ATOM 0 HD3 ARG A 91 17.275 4.758 -16.249 1.00 0.00 H new ATOM 0 HE ARG A 91 19.727 5.399 -17.795 1.00 0.00 H new ATOM 0 HH11 ARG A 91 16.332 4.413 -18.030 1.00 0.00 H new ATOM 0 HH12 ARG A 91 16.532 3.945 -19.722 1.00 0.00 H new ATOM 0 HH21 ARG A 91 19.863 4.799 -19.901 1.00 0.00 H new ATOM 0 HH22 ARG A 91 18.445 4.155 -20.736 1.00 0.00 H new ATOM 1448 N GLN A 92 13.580 7.505 -14.488 1.00 0.00 N ATOM 1449 CA GLN A 92 12.155 7.119 -14.482 1.00 0.00 C ATOM 1450 C GLN A 92 11.512 7.093 -13.092 1.00 0.00 C ATOM 1451 O GLN A 92 10.407 7.600 -12.925 1.00 0.00 O ATOM 1452 CB GLN A 92 11.968 5.773 -15.208 1.00 0.00 C ATOM 1453 CG GLN A 92 12.890 4.621 -14.753 1.00 0.00 C ATOM 1454 CD GLN A 92 12.329 3.262 -15.167 1.00 0.00 C ATOM 1455 OE1 GLN A 92 12.729 2.668 -16.157 1.00 0.00 O ATOM 1456 NE2 GLN A 92 11.372 2.733 -14.430 1.00 0.00 N ATOM 0 H GLN A 92 14.111 7.102 -13.716 1.00 0.00 H new ATOM 0 HA GLN A 92 11.626 7.904 -15.022 1.00 0.00 H new ATOM 0 HB2 GLN A 92 10.933 5.455 -15.080 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.122 5.935 -16.275 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.882 4.754 -15.185 1.00 0.00 H new ATOM 0 HG3 GLN A 92 13.008 4.653 -13.670 1.00 0.00 H new ATOM 0 HE21 GLN A 92 11.035 3.225 -13.603 1.00 0.00 H new ATOM 0 HE22 GLN A 92 10.969 1.832 -14.687 1.00 0.00 H new ATOM 1465 N ILE A 93 12.226 6.600 -12.067 1.00 0.00 N ATOM 1466 CA ILE A 93 11.718 6.582 -10.674 1.00 0.00 C ATOM 1467 C ILE A 93 11.549 8.026 -10.155 1.00 0.00 C ATOM 1468 O ILE A 93 10.705 8.305 -9.311 1.00 0.00 O ATOM 1469 CB ILE A 93 12.607 5.698 -9.754 1.00 0.00 C ATOM 1470 CG1 ILE A 93 12.974 4.338 -10.406 1.00 0.00 C ATOM 1471 CG2 ILE A 93 11.875 5.474 -8.424 1.00 0.00 C ATOM 1472 CD1 ILE A 93 13.833 3.396 -9.547 1.00 0.00 C ATOM 0 H ILE A 93 13.161 6.206 -12.172 1.00 0.00 H new ATOM 0 HA ILE A 93 10.732 6.118 -10.660 1.00 0.00 H new ATOM 0 HB ILE A 93 13.547 6.223 -9.586 1.00 0.00 H new ATOM 0 HG12 ILE A 93 12.051 3.821 -10.667 1.00 0.00 H new ATOM 0 HG13 ILE A 93 13.504 4.534 -11.338 1.00 0.00 H new ATOM 0 HG21 ILE A 93 12.489 4.855 -7.770 1.00 0.00 H new ATOM 0 HG22 ILE A 93 11.689 6.435 -7.944 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.925 4.973 -8.611 1.00 0.00 H new ATOM 0 HD11 ILE A 93 14.029 2.477 -10.100 1.00 0.00 H new ATOM 0 HD12 ILE A 93 14.778 3.883 -9.306 1.00 0.00 H new ATOM 0 HD13 ILE A 93 13.302 3.159 -8.625 1.00 0.00 H new