USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 681 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 7 THR OG1 : rot -39:sc= 0.81 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -91:sc= 0.12 USER MOD Single : A 15 HIS : no HD1:sc= -6.25! K(o=-6.3!,f=-2.1) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.468 X(o=-0.47,f=-0.24) USER MOD Single : A 25 ASN : amide:sc=-0.00359 X(o=-0.0036,f=-0.01) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 86:sc= 0.0849 USER MOD Single : A 39 CYS SG : rot -47:sc= -1.68 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 170:sc= -4.14! USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -172:sc= -0.0848 (180deg=-0.19) USER MOD Single : A 70 GLN : amide:sc= 1.09 K(o=1.1,f=-0.54) USER MOD Single : A 76 HIS : no HD1:sc= -4.68! K(o=-4.7!,f=-1.4) USER MOD Single : A 79 GLN : amide:sc= -0.447 K(o=-0.45,f=-2.4!) USER MOD Single : A 80 GLN : amide:sc= -1.32 X(o=-1.3,f=-1.6) USER MOD Single : A 82 TYR OH : rot 130:sc= -0.0332 USER MOD Single : A 84 THR OG1 : rot 108:sc= 1.09 USER MOD Single : A 87 GLN : amide:sc= -0.325 K(o=-0.32,f=-4.7!) USER MOD Single : A 91 GLN : amide:sc= -0.209 K(o=-0.21,f=-2.3!) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 34:sc= 0.431 USER MOD ----------------------------------------------------------------- ATOM 66 N THR A 7 -7.374 -0.569 -10.713 1.00 0.00 N ATOM 67 CA THR A 7 -6.059 -0.423 -10.110 1.00 0.00 C ATOM 68 C THR A 7 -6.166 -0.460 -8.584 1.00 0.00 C ATOM 69 O THR A 7 -7.249 -0.286 -8.029 1.00 0.00 O ATOM 70 CB THR A 7 -5.434 0.866 -10.644 1.00 0.00 C ATOM 71 OG1 THR A 7 -6.541 1.749 -10.805 1.00 0.00 O ATOM 72 CG2 THR A 7 -4.878 0.704 -12.061 1.00 0.00 C ATOM 0 HA THR A 7 -5.406 -1.253 -10.379 1.00 0.00 H new ATOM 0 HB THR A 7 -4.635 1.186 -9.975 1.00 0.00 H new ATOM 0 HG1 THR A 7 -7.308 1.251 -11.156 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.446 1.648 -12.392 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.109 -0.068 -12.064 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.683 0.416 -12.737 1.00 0.00 H new ATOM 80 N PRO A 8 -4.995 -0.694 -7.932 1.00 0.00 N ATOM 81 CA PRO A 8 -4.946 -0.756 -6.481 1.00 0.00 C ATOM 82 C PRO A 8 -5.048 0.642 -5.869 1.00 0.00 C ATOM 83 O PRO A 8 -5.820 0.861 -4.937 1.00 0.00 O ATOM 84 CB PRO A 8 -3.633 -1.451 -6.161 1.00 0.00 C ATOM 85 CG PRO A 8 -2.783 -1.335 -7.417 1.00 0.00 C ATOM 86 CD PRO A 8 -3.693 -0.905 -8.556 1.00 0.00 C ATOM 0 HA PRO A 8 -5.786 -1.305 -6.055 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.139 -0.981 -5.311 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.798 -2.495 -5.896 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.984 -0.608 -7.272 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.308 -2.289 -7.647 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.329 0.006 -9.031 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.745 -1.669 -9.331 1.00 0.00 H new ATOM 94 N LEU A 9 -4.256 1.552 -6.417 1.00 0.00 N ATOM 95 CA LEU A 9 -4.247 2.923 -5.937 1.00 0.00 C ATOM 96 C LEU A 9 -5.679 3.463 -5.920 1.00 0.00 C ATOM 97 O LEU A 9 -6.113 4.051 -4.930 1.00 0.00 O ATOM 98 CB LEU A 9 -3.280 3.774 -6.762 1.00 0.00 C ATOM 99 CG LEU A 9 -2.024 4.258 -6.034 1.00 0.00 C ATOM 100 CD1 LEU A 9 -1.124 5.067 -6.971 1.00 0.00 C ATOM 101 CD2 LEU A 9 -2.389 5.042 -4.772 1.00 0.00 C ATOM 0 H LEU A 9 -3.616 1.366 -7.189 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.877 2.964 -4.912 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.971 3.196 -7.633 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.820 4.645 -7.133 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.456 3.384 -5.717 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.239 5.399 -6.428 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.821 4.444 -7.813 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.670 5.935 -7.340 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.478 5.374 -4.274 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.991 5.909 -5.044 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.958 4.402 -4.098 1.00 0.00 H new ATOM 113 N SER A 10 -6.373 3.243 -7.027 1.00 0.00 N ATOM 114 CA SER A 10 -7.747 3.700 -7.151 1.00 0.00 C ATOM 115 C SER A 10 -8.635 2.969 -6.143 1.00 0.00 C ATOM 116 O SER A 10 -9.520 3.572 -5.538 1.00 0.00 O ATOM 117 CB SER A 10 -8.272 3.486 -8.573 1.00 0.00 C ATOM 118 OG SER A 10 -9.667 3.756 -8.673 1.00 0.00 O ATOM 0 H SER A 10 -6.010 2.755 -7.846 1.00 0.00 H new ATOM 0 HA SER A 10 -7.772 4.769 -6.939 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.727 4.132 -9.262 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.079 2.458 -8.880 1.00 0.00 H new ATOM 0 HG SER A 10 -9.963 3.609 -9.596 1.00 0.00 H new ATOM 124 N LEU A 11 -8.368 1.680 -5.992 1.00 0.00 N ATOM 125 CA LEU A 11 -9.132 0.860 -5.067 1.00 0.00 C ATOM 126 C LEU A 11 -8.873 1.337 -3.637 1.00 0.00 C ATOM 127 O LEU A 11 -9.812 1.608 -2.889 1.00 0.00 O ATOM 128 CB LEU A 11 -8.825 -0.623 -5.286 1.00 0.00 C ATOM 129 CG LEU A 11 -9.353 -1.232 -6.586 1.00 0.00 C ATOM 130 CD1 LEU A 11 -8.455 -2.377 -7.059 1.00 0.00 C ATOM 131 CD2 LEU A 11 -10.810 -1.673 -6.433 1.00 0.00 C ATOM 0 H LEU A 11 -7.633 1.183 -6.495 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.200 0.971 -5.252 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.744 -0.758 -5.258 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.239 -1.187 -4.450 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.329 -0.463 -7.358 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.853 -2.793 -7.985 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.447 -2.001 -7.234 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.425 -3.155 -6.296 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.161 -2.102 -7.372 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.883 -2.420 -5.643 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.426 -0.811 -6.176 1.00 0.00 H new ATOM 143 N THR A 12 -7.595 1.426 -3.298 1.00 0.00 N ATOM 144 CA THR A 12 -7.201 1.866 -1.971 1.00 0.00 C ATOM 145 C THR A 12 -7.734 3.274 -1.695 1.00 0.00 C ATOM 146 O THR A 12 -8.395 3.504 -0.684 1.00 0.00 O ATOM 147 CB THR A 12 -5.678 1.762 -1.871 1.00 0.00 C ATOM 148 OG1 THR A 12 -5.209 2.372 -3.071 1.00 0.00 O ATOM 149 CG2 THR A 12 -5.182 0.318 -1.968 1.00 0.00 C ATOM 0 H THR A 12 -6.819 1.201 -3.920 1.00 0.00 H new ATOM 0 HA THR A 12 -7.636 1.231 -1.199 1.00 0.00 H new ATOM 0 HB THR A 12 -5.346 2.197 -0.928 1.00 0.00 H new ATOM 0 HG1 THR A 12 -5.120 1.692 -3.771 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.095 0.301 -1.891 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.612 -0.270 -1.157 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.485 -0.107 -2.925 1.00 0.00 H new ATOM 157 N LEU A 13 -7.425 4.178 -2.613 1.00 0.00 N ATOM 158 CA LEU A 13 -7.864 5.557 -2.482 1.00 0.00 C ATOM 159 C LEU A 13 -9.390 5.594 -2.377 1.00 0.00 C ATOM 160 O LEU A 13 -9.943 6.349 -1.578 1.00 0.00 O ATOM 161 CB LEU A 13 -7.306 6.409 -3.624 1.00 0.00 C ATOM 162 CG LEU A 13 -5.781 6.446 -3.749 1.00 0.00 C ATOM 163 CD1 LEU A 13 -5.356 6.646 -5.205 1.00 0.00 C ATOM 164 CD2 LEU A 13 -5.181 7.507 -2.825 1.00 0.00 C ATOM 0 H LEU A 13 -6.876 3.983 -3.450 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.470 5.996 -1.566 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.719 6.039 -4.562 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.665 7.430 -3.498 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.388 5.481 -3.428 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.268 6.669 -5.267 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.737 5.824 -5.811 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.760 7.588 -5.576 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.096 7.512 -2.933 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.577 8.487 -3.091 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.441 7.279 -1.791 1.00 0.00 H new ATOM 176 N ASP A 14 -10.028 4.770 -3.195 1.00 0.00 N ATOM 177 CA ASP A 14 -11.479 4.699 -3.204 1.00 0.00 C ATOM 178 C ASP A 14 -11.974 4.285 -1.817 1.00 0.00 C ATOM 179 O ASP A 14 -13.082 4.640 -1.418 1.00 0.00 O ATOM 180 CB ASP A 14 -11.973 3.659 -4.212 1.00 0.00 C ATOM 181 CG ASP A 14 -12.069 4.153 -5.657 1.00 0.00 C ATOM 182 OD1 ASP A 14 -11.744 5.341 -5.873 1.00 0.00 O ATOM 183 OD2 ASP A 14 -12.464 3.332 -6.513 1.00 0.00 O ATOM 0 H ASP A 14 -9.566 4.146 -3.856 1.00 0.00 H new ATOM 0 HA ASP A 14 -11.863 5.681 -3.481 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.304 2.799 -4.182 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.956 3.309 -3.898 1.00 0.00 H new ATOM 188 N HIS A 15 -11.129 3.539 -1.120 1.00 0.00 N ATOM 189 CA HIS A 15 -11.466 3.073 0.214 1.00 0.00 C ATOM 190 C HIS A 15 -10.471 3.646 1.225 1.00 0.00 C ATOM 191 O HIS A 15 -10.068 2.959 2.162 1.00 0.00 O ATOM 192 CB HIS A 15 -11.538 1.545 0.253 1.00 0.00 C ATOM 193 CG HIS A 15 -12.870 0.982 -0.181 1.00 0.00 C ATOM 194 ND1 HIS A 15 -14.071 1.373 0.385 1.00 0.00 N ATOM 195 CD2 HIS A 15 -13.178 0.054 -1.132 1.00 0.00 C ATOM 196 CE1 HIS A 15 -15.050 0.704 -0.206 1.00 0.00 C ATOM 197 NE2 HIS A 15 -14.494 -0.114 -1.146 1.00 0.00 N ATOM 0 H HIS A 15 -10.211 3.246 -1.455 1.00 0.00 H new ATOM 0 HA HIS A 15 -12.457 3.433 0.489 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -10.757 1.138 -0.389 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -11.325 1.207 1.267 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -12.470 -0.458 -1.767 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -16.103 0.791 0.017 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -15.006 -0.750 -1.758 1.00 0.00 H new ATOM 205 N TRP A 16 -10.103 4.899 1.000 1.00 0.00 N ATOM 206 CA TRP A 16 -9.163 5.572 1.879 1.00 0.00 C ATOM 207 C TRP A 16 -9.614 5.337 3.322 1.00 0.00 C ATOM 208 O TRP A 16 -8.785 5.169 4.216 1.00 0.00 O ATOM 209 CB TRP A 16 -9.045 7.055 1.524 1.00 0.00 C ATOM 210 CG TRP A 16 -8.047 7.826 2.390 1.00 0.00 C ATOM 211 CD1 TRP A 16 -8.261 8.940 3.103 1.00 0.00 C ATOM 212 CD2 TRP A 16 -6.660 7.491 2.608 1.00 0.00 C ATOM 213 NE1 TRP A 16 -7.118 9.347 3.761 1.00 0.00 N ATOM 214 CE2 TRP A 16 -6.114 8.437 3.450 1.00 0.00 C ATOM 215 CE3 TRP A 16 -5.893 6.424 2.109 1.00 0.00 C ATOM 216 CZ2 TRP A 16 -4.778 8.412 3.868 1.00 0.00 C ATOM 217 CZ3 TRP A 16 -4.559 6.412 2.536 1.00 0.00 C ATOM 218 CH2 TRP A 16 -3.994 7.358 3.384 1.00 0.00 C ATOM 0 H TRP A 16 -10.439 5.465 0.221 1.00 0.00 H new ATOM 0 HA TRP A 16 -8.160 5.163 1.756 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -8.749 7.145 0.479 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -10.027 7.520 1.618 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -9.209 9.455 3.156 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -7.027 10.165 4.364 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -6.300 5.673 1.449 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -4.374 9.165 4.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -3.925 5.612 2.182 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -2.955 7.280 3.668 1.00 0.00 H new ATOM 229 N SER A 17 -10.926 5.332 3.505 1.00 0.00 N ATOM 230 CA SER A 17 -11.497 5.121 4.825 1.00 0.00 C ATOM 231 C SER A 17 -10.946 3.829 5.432 1.00 0.00 C ATOM 232 O SER A 17 -10.627 3.784 6.619 1.00 0.00 O ATOM 233 CB SER A 17 -13.024 5.068 4.762 1.00 0.00 C ATOM 234 OG SER A 17 -13.607 4.903 6.052 1.00 0.00 O ATOM 0 H SER A 17 -11.610 5.471 2.761 1.00 0.00 H new ATOM 0 HA SER A 17 -11.215 5.962 5.458 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.400 5.985 4.309 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.332 4.245 4.117 1.00 0.00 H new ATOM 0 HG SER A 17 -14.583 4.875 5.969 1.00 0.00 H new ATOM 240 N GLU A 18 -10.850 2.811 4.590 1.00 0.00 N ATOM 241 CA GLU A 18 -10.344 1.521 5.029 1.00 0.00 C ATOM 242 C GLU A 18 -8.845 1.613 5.324 1.00 0.00 C ATOM 243 O GLU A 18 -8.371 1.069 6.320 1.00 0.00 O ATOM 244 CB GLU A 18 -10.633 0.436 3.991 1.00 0.00 C ATOM 245 CG GLU A 18 -9.829 -0.832 4.285 1.00 0.00 C ATOM 246 CD GLU A 18 -10.282 -1.477 5.596 1.00 0.00 C ATOM 247 OE1 GLU A 18 -11.441 -1.944 5.627 1.00 0.00 O ATOM 248 OE2 GLU A 18 -9.460 -1.489 6.537 1.00 0.00 O ATOM 0 H GLU A 18 -11.114 2.853 3.606 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.860 1.243 5.948 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.698 0.204 3.990 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.386 0.805 2.996 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.949 -1.541 3.466 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.768 -0.589 4.343 1.00 0.00 H new ATOM 255 N ILE A 19 -8.141 2.305 4.440 1.00 0.00 N ATOM 256 CA ILE A 19 -6.707 2.474 4.593 1.00 0.00 C ATOM 257 C ILE A 19 -6.426 3.293 5.854 1.00 0.00 C ATOM 258 O ILE A 19 -5.463 3.025 6.572 1.00 0.00 O ATOM 259 CB ILE A 19 -6.099 3.074 3.323 1.00 0.00 C ATOM 260 CG1 ILE A 19 -6.756 2.487 2.072 1.00 0.00 C ATOM 261 CG2 ILE A 19 -4.579 2.900 3.307 1.00 0.00 C ATOM 262 CD1 ILE A 19 -6.909 0.970 2.192 1.00 0.00 C ATOM 0 H ILE A 19 -8.538 2.755 3.615 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.222 1.507 4.725 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.300 4.145 3.321 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.734 2.944 1.923 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.155 2.727 1.195 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.173 3.335 2.394 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.146 3.402 4.172 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.334 1.839 3.343 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.379 0.579 1.289 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.927 0.514 2.317 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.531 0.734 3.056 1.00 0.00 H new ATOM 274 N ARG A 20 -7.284 4.275 6.087 1.00 0.00 N ATOM 275 CA ARG A 20 -7.141 5.135 7.249 1.00 0.00 C ATOM 276 C ARG A 20 -7.483 4.364 8.525 1.00 0.00 C ATOM 277 O ARG A 20 -6.957 4.663 9.596 1.00 0.00 O ATOM 278 CB ARG A 20 -8.050 6.361 7.143 1.00 0.00 C ATOM 279 CG ARG A 20 -7.548 7.324 6.064 1.00 0.00 C ATOM 280 CD ARG A 20 -7.805 8.778 6.464 1.00 0.00 C ATOM 281 NE ARG A 20 -9.031 9.276 5.802 1.00 0.00 N ATOM 282 CZ ARG A 20 -9.642 10.426 6.119 1.00 0.00 C ATOM 283 NH1 ARG A 20 -9.144 11.203 7.091 1.00 0.00 N ATOM 284 NH2 ARG A 20 -10.750 10.799 5.464 1.00 0.00 N ATOM 0 H ARG A 20 -8.082 4.494 5.490 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.104 5.469 7.289 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.067 6.045 6.909 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.088 6.874 8.104 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.481 7.171 5.903 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.047 7.109 5.119 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.910 8.853 7.546 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.953 9.397 6.183 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.437 8.709 5.058 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.300 10.919 7.589 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.609 12.078 7.333 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.128 10.208 4.724 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.215 11.674 5.705 1.00 0.00 H new ATOM 298 N SER A 21 -8.364 3.386 8.370 1.00 0.00 N ATOM 299 CA SER A 21 -8.783 2.570 9.496 1.00 0.00 C ATOM 300 C SER A 21 -7.659 1.612 9.895 1.00 0.00 C ATOM 301 O SER A 21 -7.382 1.433 11.080 1.00 0.00 O ATOM 302 CB SER A 21 -10.056 1.787 9.166 1.00 0.00 C ATOM 303 OG SER A 21 -11.089 2.022 10.119 1.00 0.00 O ATOM 0 H SER A 21 -8.799 3.141 7.481 1.00 0.00 H new ATOM 0 HA SER A 21 -9.003 3.231 10.334 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.408 2.068 8.173 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.828 0.722 9.133 1.00 0.00 H new ATOM 0 HG SER A 21 -11.885 1.506 9.873 1.00 0.00 H new ATOM 309 N ARG A 22 -7.041 1.021 8.882 1.00 0.00 N ATOM 310 CA ARG A 22 -5.954 0.085 9.113 1.00 0.00 C ATOM 311 C ARG A 22 -4.791 0.786 9.818 1.00 0.00 C ATOM 312 O ARG A 22 -4.041 0.156 10.562 1.00 0.00 O ATOM 313 CB ARG A 22 -5.455 -0.514 7.796 1.00 0.00 C ATOM 314 CG ARG A 22 -6.624 -1.011 6.943 1.00 0.00 C ATOM 315 CD ARG A 22 -6.508 -2.513 6.675 1.00 0.00 C ATOM 316 NE ARG A 22 -7.400 -2.898 5.559 1.00 0.00 N ATOM 317 CZ ARG A 22 -7.778 -4.158 5.300 1.00 0.00 C ATOM 318 NH1 ARG A 22 -7.345 -5.160 6.075 1.00 0.00 N ATOM 319 NH2 ARG A 22 -8.590 -4.414 4.265 1.00 0.00 N ATOM 0 H ARG A 22 -7.272 1.172 7.900 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.336 -0.718 9.744 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.889 0.235 7.243 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.774 -1.340 8.003 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.565 -0.800 7.451 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.644 -0.470 5.997 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.477 -2.769 6.432 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.772 -3.072 7.572 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.749 -2.159 4.949 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.727 -4.965 6.863 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.633 -6.118 5.878 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.920 -3.650 3.675 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.878 -5.372 4.068 1.00 0.00 H new ATOM 333 N ALA A 23 -4.678 2.081 9.561 1.00 0.00 N ATOM 334 CA ALA A 23 -3.620 2.874 10.162 1.00 0.00 C ATOM 335 C ALA A 23 -3.941 3.109 11.639 1.00 0.00 C ATOM 336 O ALA A 23 -3.049 3.072 12.485 1.00 0.00 O ATOM 337 CB ALA A 23 -3.458 4.183 9.385 1.00 0.00 C ATOM 0 H ALA A 23 -5.302 2.601 8.944 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.668 2.345 10.111 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.664 4.778 9.836 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.202 3.962 8.349 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.393 4.743 9.416 1.00 0.00 H new ATOM 343 N HIS A 24 -5.217 3.345 11.904 1.00 0.00 N ATOM 344 CA HIS A 24 -5.667 3.586 13.265 1.00 0.00 C ATOM 345 C HIS A 24 -5.444 2.330 14.109 1.00 0.00 C ATOM 346 O HIS A 24 -5.002 2.417 15.253 1.00 0.00 O ATOM 347 CB HIS A 24 -7.122 4.060 13.280 1.00 0.00 C ATOM 348 CG HIS A 24 -7.391 5.184 14.252 1.00 0.00 C ATOM 349 ND1 HIS A 24 -8.663 5.502 14.697 1.00 0.00 N ATOM 350 CD2 HIS A 24 -6.541 6.060 14.859 1.00 0.00 C ATOM 351 CE1 HIS A 24 -8.570 6.525 15.533 1.00 0.00 C ATOM 352 NE2 HIS A 24 -7.254 6.870 15.632 1.00 0.00 N ATOM 0 H HIS A 24 -5.954 3.375 11.200 1.00 0.00 H new ATOM 0 HA HIS A 24 -5.079 4.389 13.709 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -7.397 4.387 12.277 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.766 3.216 13.529 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.469 6.090 14.732 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -9.392 7.002 16.046 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -6.880 7.626 16.205 1.00 0.00 H new ATOM 360 N ASN A 25 -5.760 1.190 13.511 1.00 0.00 N ATOM 361 CA ASN A 25 -5.600 -0.082 14.194 1.00 0.00 C ATOM 362 C ASN A 25 -4.109 -0.386 14.354 1.00 0.00 C ATOM 363 O ASN A 25 -3.703 -1.034 15.318 1.00 0.00 O ATOM 364 CB ASN A 25 -6.230 -1.222 13.391 1.00 0.00 C ATOM 365 CG ASN A 25 -7.089 -2.115 14.288 1.00 0.00 C ATOM 366 OD1 ASN A 25 -6.677 -2.550 15.351 1.00 0.00 O ATOM 367 ND2 ASN A 25 -8.302 -2.363 13.803 1.00 0.00 N ATOM 0 H ASN A 25 -6.126 1.121 12.561 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.093 -0.008 15.163 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.842 -0.811 12.588 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.447 -1.817 12.922 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.951 -2.949 14.328 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.583 -1.967 12.906 1.00 0.00 H new ATOM 374 N LEU A 26 -3.333 0.098 13.395 1.00 0.00 N ATOM 375 CA LEU A 26 -1.895 -0.114 13.418 1.00 0.00 C ATOM 376 C LEU A 26 -1.234 0.994 14.241 1.00 0.00 C ATOM 377 O LEU A 26 -0.018 0.993 14.425 1.00 0.00 O ATOM 378 CB LEU A 26 -1.349 -0.232 11.994 1.00 0.00 C ATOM 379 CG LEU A 26 -1.771 -1.479 11.214 1.00 0.00 C ATOM 380 CD1 LEU A 26 -1.384 -1.360 9.739 1.00 0.00 C ATOM 381 CD2 LEU A 26 -1.201 -2.745 11.856 1.00 0.00 C ATOM 0 H LEU A 26 -3.672 0.636 12.598 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.656 -1.059 13.906 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.663 0.647 11.432 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.260 -0.208 12.041 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.857 -1.557 11.256 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.695 -2.259 9.207 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.877 -0.491 9.302 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.303 -1.244 9.655 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.516 -3.617 11.283 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.112 -2.690 11.865 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.568 -2.831 12.879 1.00 0.00 H new ATOM 393 N SER A 27 -2.064 1.912 14.714 1.00 0.00 N ATOM 394 CA SER A 27 -1.576 3.022 15.513 1.00 0.00 C ATOM 395 C SER A 27 -0.614 3.878 14.686 1.00 0.00 C ATOM 396 O SER A 27 0.493 4.179 15.129 1.00 0.00 O ATOM 397 CB SER A 27 -0.884 2.525 16.783 1.00 0.00 C ATOM 398 OG SER A 27 -1.719 1.649 17.537 1.00 0.00 O ATOM 0 H SER A 27 -3.072 1.909 14.559 1.00 0.00 H new ATOM 0 HA SER A 27 -2.430 3.630 15.811 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.037 2.007 16.515 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.602 3.378 17.400 1.00 0.00 H new ATOM 0 HG SER A 27 -1.241 1.352 18.339 1.00 0.00 H new ATOM 404 N VAL A 28 -1.072 4.247 13.498 1.00 0.00 N ATOM 405 CA VAL A 28 -0.266 5.062 12.606 1.00 0.00 C ATOM 406 C VAL A 28 -1.178 6.019 11.834 1.00 0.00 C ATOM 407 O VAL A 28 -2.327 5.689 11.545 1.00 0.00 O ATOM 408 CB VAL A 28 0.571 4.166 11.691 1.00 0.00 C ATOM 409 CG1 VAL A 28 1.649 3.426 12.486 1.00 0.00 C ATOM 410 CG2 VAL A 28 -0.316 3.183 10.924 1.00 0.00 C ATOM 0 H VAL A 28 -1.991 3.996 13.133 1.00 0.00 H new ATOM 0 HA VAL A 28 0.437 5.670 13.175 1.00 0.00 H new ATOM 0 HB VAL A 28 1.070 4.805 10.962 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.230 2.796 11.812 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.309 4.149 12.965 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.177 2.805 13.247 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.304 2.558 10.281 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.856 2.553 11.631 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.029 3.737 10.313 1.00 0.00 H new ATOM 420 N GLU A 29 -0.630 7.184 11.521 1.00 0.00 N ATOM 421 CA GLU A 29 -1.379 8.190 10.788 1.00 0.00 C ATOM 422 C GLU A 29 -0.793 8.373 9.387 1.00 0.00 C ATOM 423 O GLU A 29 0.425 8.402 9.218 1.00 0.00 O ATOM 424 CB GLU A 29 -1.404 9.518 11.549 1.00 0.00 C ATOM 425 CG GLU A 29 -2.841 9.988 11.784 1.00 0.00 C ATOM 426 CD GLU A 29 -2.998 10.590 13.182 1.00 0.00 C ATOM 427 OE1 GLU A 29 -2.571 9.914 14.143 1.00 0.00 O ATOM 428 OE2 GLU A 29 -3.543 11.713 13.258 1.00 0.00 O ATOM 0 H GLU A 29 0.324 7.454 11.762 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.409 7.846 10.688 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.894 9.403 12.506 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.858 10.274 10.986 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.113 10.729 11.032 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.526 9.148 11.666 1.00 0.00 H new ATOM 435 N ILE A 30 -1.688 8.490 8.417 1.00 0.00 N ATOM 436 CA ILE A 30 -1.274 8.669 7.035 1.00 0.00 C ATOM 437 C ILE A 30 -2.243 9.626 6.337 1.00 0.00 C ATOM 438 O ILE A 30 -3.272 9.994 6.901 1.00 0.00 O ATOM 439 CB ILE A 30 -1.138 7.314 6.337 1.00 0.00 C ATOM 440 CG1 ILE A 30 -2.473 6.567 6.326 1.00 0.00 C ATOM 441 CG2 ILE A 30 -0.021 6.482 6.969 1.00 0.00 C ATOM 442 CD1 ILE A 30 -2.286 5.116 5.876 1.00 0.00 C ATOM 0 H ILE A 30 -2.698 8.464 8.560 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.285 9.126 6.989 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.859 7.491 5.298 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.914 6.588 7.323 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.171 7.072 5.658 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.055 5.524 6.455 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.925 7.017 6.882 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.245 6.312 8.022 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.250 4.608 5.877 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.868 5.098 4.870 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.607 4.607 6.560 1.00 0.00 H new ATOM 454 N LYS A 31 -1.879 10.001 5.119 1.00 0.00 N ATOM 455 CA LYS A 31 -2.703 10.908 4.339 1.00 0.00 C ATOM 456 C LYS A 31 -2.948 10.304 2.954 1.00 0.00 C ATOM 457 O LYS A 31 -2.292 9.337 2.570 1.00 0.00 O ATOM 458 CB LYS A 31 -2.075 12.302 4.298 1.00 0.00 C ATOM 459 CG LYS A 31 -2.621 13.182 5.425 1.00 0.00 C ATOM 460 CD LYS A 31 -1.512 13.565 6.407 1.00 0.00 C ATOM 461 CE LYS A 31 -1.770 14.946 7.014 1.00 0.00 C ATOM 462 NZ LYS A 31 -2.637 14.834 8.208 1.00 0.00 N ATOM 0 H LYS A 31 -1.025 9.693 4.654 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.678 11.036 4.809 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.992 12.220 4.388 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.280 12.769 3.335 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.066 14.083 5.004 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.413 12.652 5.954 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.451 12.821 7.201 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.550 13.563 5.894 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.823 15.412 7.287 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.242 15.593 6.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.802 15.780 8.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.547 14.409 7.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.172 14.234 8.919 1.00 0.00 H new ATOM 476 N LYS A 32 -3.894 10.899 2.243 1.00 0.00 N ATOM 477 CA LYS A 32 -4.233 10.431 0.910 1.00 0.00 C ATOM 478 C LYS A 32 -3.317 11.108 -0.112 1.00 0.00 C ATOM 479 O LYS A 32 -2.883 10.478 -1.075 1.00 0.00 O ATOM 480 CB LYS A 32 -5.724 10.639 0.632 1.00 0.00 C ATOM 481 CG LYS A 32 -6.221 9.672 -0.444 1.00 0.00 C ATOM 482 CD LYS A 32 -7.510 10.185 -1.089 1.00 0.00 C ATOM 483 CE LYS A 32 -8.653 9.185 -0.899 1.00 0.00 C ATOM 484 NZ LYS A 32 -9.828 9.583 -1.706 1.00 0.00 N ATOM 0 H LYS A 32 -4.436 11.701 2.565 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.064 9.357 0.829 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.293 10.491 1.550 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.898 11.666 0.311 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.453 9.546 -1.207 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.396 8.691 -0.003 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.784 11.144 -0.650 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.345 10.357 -2.153 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.324 8.188 -1.191 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.928 9.134 0.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.595 8.894 -1.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.151 10.526 -1.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.566 9.609 -2.712 1.00 0.00 H new ATOM 498 N GLY A 33 -3.052 12.383 0.133 1.00 0.00 N ATOM 499 CA GLY A 33 -2.196 13.153 -0.754 1.00 0.00 C ATOM 500 C GLY A 33 -0.831 12.480 -0.919 1.00 0.00 C ATOM 501 O GLY A 33 -0.369 12.273 -2.040 1.00 0.00 O ATOM 0 H GLY A 33 -3.415 12.902 0.933 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.675 13.257 -1.728 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.064 14.159 -0.355 1.00 0.00 H new ATOM 505 N PRO A 34 -0.209 12.148 0.244 1.00 0.00 N ATOM 506 CA PRO A 34 1.092 11.503 0.239 1.00 0.00 C ATOM 507 C PRO A 34 0.973 10.030 -0.157 1.00 0.00 C ATOM 508 O PRO A 34 1.781 9.525 -0.935 1.00 0.00 O ATOM 509 CB PRO A 34 1.633 11.697 1.646 1.00 0.00 C ATOM 510 CG PRO A 34 0.430 12.033 2.512 1.00 0.00 C ATOM 511 CD PRO A 34 -0.727 12.378 1.589 1.00 0.00 C ATOM 0 HA PRO A 34 1.771 11.933 -0.498 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.130 10.794 2.001 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.371 12.499 1.674 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.171 11.188 3.150 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.656 12.872 3.171 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.596 11.751 1.791 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.043 13.413 1.720 1.00 0.00 H new ATOM 519 N TRP A 35 -0.042 9.382 0.395 1.00 0.00 N ATOM 520 CA TRP A 35 -0.278 7.977 0.109 1.00 0.00 C ATOM 521 C TRP A 35 -0.217 7.786 -1.408 1.00 0.00 C ATOM 522 O TRP A 35 0.280 6.769 -1.889 1.00 0.00 O ATOM 523 CB TRP A 35 -1.602 7.509 0.717 1.00 0.00 C ATOM 524 CG TRP A 35 -2.065 6.138 0.220 1.00 0.00 C ATOM 525 CD1 TRP A 35 -2.660 5.840 -0.943 1.00 0.00 C ATOM 526 CD2 TRP A 35 -1.945 4.883 0.922 1.00 0.00 C ATOM 527 NE1 TRP A 35 -2.932 4.490 -1.041 1.00 0.00 N ATOM 528 CE2 TRP A 35 -2.483 3.890 0.129 1.00 0.00 C ATOM 529 CE3 TRP A 35 -1.399 4.596 2.186 1.00 0.00 C ATOM 530 CZ2 TRP A 35 -2.528 2.544 0.511 1.00 0.00 C ATOM 531 CZ3 TRP A 35 -1.453 3.246 2.553 1.00 0.00 C ATOM 532 CH2 TRP A 35 -1.991 2.235 1.767 1.00 0.00 C ATOM 0 H TRP A 35 -0.711 9.804 1.039 1.00 0.00 H new ATOM 0 HA TRP A 35 0.490 7.356 0.569 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.500 7.475 1.802 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.374 8.245 0.492 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -2.897 6.565 -1.708 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -3.380 4.020 -1.827 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -0.972 5.357 2.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -2.954 1.785 -0.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.048 2.971 3.516 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -1.995 1.215 2.123 1.00 0.00 H new ATOM 543 N ARG A 36 -0.728 8.781 -2.118 1.00 0.00 N ATOM 544 CA ARG A 36 -0.737 8.735 -3.571 1.00 0.00 C ATOM 545 C ARG A 36 0.657 9.045 -4.120 1.00 0.00 C ATOM 546 O ARG A 36 1.148 8.348 -5.006 1.00 0.00 O ATOM 547 CB ARG A 36 -1.740 9.737 -4.147 1.00 0.00 C ATOM 548 CG ARG A 36 -1.886 9.558 -5.659 1.00 0.00 C ATOM 549 CD ARG A 36 -3.162 8.785 -5.999 1.00 0.00 C ATOM 550 NE ARG A 36 -3.940 9.519 -7.023 1.00 0.00 N ATOM 551 CZ ARG A 36 -3.556 9.661 -8.299 1.00 0.00 C ATOM 552 NH1 ARG A 36 -2.403 9.122 -8.716 1.00 0.00 N ATOM 553 NH2 ARG A 36 -4.326 10.343 -9.158 1.00 0.00 N ATOM 0 H ARG A 36 -1.139 9.623 -1.715 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.033 7.729 -3.870 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.709 9.604 -3.666 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.412 10.753 -3.927 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.908 10.534 -6.144 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.019 9.026 -6.051 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.908 7.791 -6.367 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.765 8.648 -5.101 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.823 9.943 -6.739 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.817 8.603 -8.062 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.111 9.230 -9.687 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.204 10.754 -8.840 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.034 10.451 -10.129 1.00 0.00 H new ATOM 567 N THR A 37 1.254 10.093 -3.572 1.00 0.00 N ATOM 568 CA THR A 37 2.582 10.505 -3.996 1.00 0.00 C ATOM 569 C THR A 37 3.563 9.336 -3.886 1.00 0.00 C ATOM 570 O THR A 37 4.254 9.008 -4.849 1.00 0.00 O ATOM 571 CB THR A 37 2.989 11.721 -3.162 1.00 0.00 C ATOM 572 OG1 THR A 37 2.257 12.799 -3.738 1.00 0.00 O ATOM 573 CG2 THR A 37 4.454 12.111 -3.372 1.00 0.00 C ATOM 0 H THR A 37 0.843 10.670 -2.838 1.00 0.00 H new ATOM 0 HA THR A 37 2.589 10.797 -5.046 1.00 0.00 H new ATOM 0 HB THR A 37 2.817 11.511 -2.106 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.366 12.843 -3.332 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.691 12.979 -2.757 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.097 11.278 -3.087 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.619 12.354 -4.422 1.00 0.00 H new ATOM 581 N PHE A 38 3.592 8.739 -2.703 1.00 0.00 N ATOM 582 CA PHE A 38 4.477 7.614 -2.455 1.00 0.00 C ATOM 583 C PHE A 38 4.208 6.476 -3.442 1.00 0.00 C ATOM 584 O PHE A 38 5.084 5.652 -3.698 1.00 0.00 O ATOM 585 CB PHE A 38 4.187 7.122 -1.036 1.00 0.00 C ATOM 586 CG PHE A 38 4.673 8.069 0.063 1.00 0.00 C ATOM 587 CD1 PHE A 38 5.838 8.752 -0.094 1.00 0.00 C ATOM 588 CD2 PHE A 38 3.940 8.227 1.198 1.00 0.00 C ATOM 589 CE1 PHE A 38 6.289 9.631 0.926 1.00 0.00 C ATOM 590 CE2 PHE A 38 4.391 9.106 2.218 1.00 0.00 C ATOM 591 CZ PHE A 38 5.556 9.790 2.060 1.00 0.00 C ATOM 0 H PHE A 38 3.017 9.013 -1.906 1.00 0.00 H new ATOM 0 HA PHE A 38 5.515 7.924 -2.574 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.113 6.975 -0.926 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.657 6.149 -0.897 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.421 8.626 -0.995 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.015 7.684 1.323 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.215 10.173 0.801 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.809 9.231 3.119 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.899 10.459 2.835 1.00 0.00 H new ATOM 601 N CYS A 39 2.993 6.468 -3.969 1.00 0.00 N ATOM 602 CA CYS A 39 2.597 5.446 -4.922 1.00 0.00 C ATOM 603 C CYS A 39 2.430 6.105 -6.293 1.00 0.00 C ATOM 604 O CYS A 39 1.852 5.514 -7.203 1.00 0.00 O ATOM 605 CB CYS A 39 1.325 4.720 -4.478 1.00 0.00 C ATOM 606 SG CYS A 39 1.154 3.143 -5.390 1.00 0.00 S ATOM 0 H CYS A 39 2.269 7.154 -3.754 1.00 0.00 H new ATOM 0 HA CYS A 39 3.371 4.681 -4.980 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.362 4.527 -3.406 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.454 5.351 -4.659 1.00 0.00 H new ATOM 0 HG CYS A 39 1.366 3.349 -6.656 1.00 0.00 H new ATOM 612 N ALA A 40 2.945 7.321 -6.396 1.00 0.00 N ATOM 613 CA ALA A 40 2.860 8.067 -7.639 1.00 0.00 C ATOM 614 C ALA A 40 4.184 7.943 -8.396 1.00 0.00 C ATOM 615 O ALA A 40 4.197 7.614 -9.581 1.00 0.00 O ATOM 616 CB ALA A 40 2.495 9.522 -7.338 1.00 0.00 C ATOM 0 H ALA A 40 3.423 7.808 -5.638 1.00 0.00 H new ATOM 0 HA ALA A 40 2.076 7.659 -8.277 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.431 10.082 -8.271 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.533 9.558 -6.827 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.261 9.965 -6.701 1.00 0.00 H new ATOM 622 N SER A 41 5.265 8.213 -7.680 1.00 0.00 N ATOM 623 CA SER A 41 6.591 8.135 -8.268 1.00 0.00 C ATOM 624 C SER A 41 7.648 8.038 -7.166 1.00 0.00 C ATOM 625 O SER A 41 8.707 8.657 -7.260 1.00 0.00 O ATOM 626 CB SER A 41 6.868 9.345 -9.164 1.00 0.00 C ATOM 627 OG SER A 41 7.490 8.970 -10.390 1.00 0.00 O ATOM 0 H SER A 41 5.250 8.486 -6.697 1.00 0.00 H new ATOM 0 HA SER A 41 6.638 7.239 -8.887 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.932 9.861 -9.376 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.508 10.050 -8.634 1.00 0.00 H new ATOM 0 HG SER A 41 7.649 9.769 -10.934 1.00 0.00 H new ATOM 633 N GLU A 42 7.324 7.255 -6.147 1.00 0.00 N ATOM 634 CA GLU A 42 8.233 7.069 -5.029 1.00 0.00 C ATOM 635 C GLU A 42 8.573 5.587 -4.863 1.00 0.00 C ATOM 636 O GLU A 42 9.743 5.224 -4.746 1.00 0.00 O ATOM 637 CB GLU A 42 7.641 7.643 -3.740 1.00 0.00 C ATOM 638 CG GLU A 42 8.743 7.995 -2.739 1.00 0.00 C ATOM 639 CD GLU A 42 9.256 9.419 -2.967 1.00 0.00 C ATOM 640 OE1 GLU A 42 8.398 10.318 -3.096 1.00 0.00 O ATOM 641 OE2 GLU A 42 10.496 9.575 -3.008 1.00 0.00 O ATOM 0 H GLU A 42 6.445 6.743 -6.072 1.00 0.00 H new ATOM 0 HA GLU A 42 9.154 7.612 -5.240 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.056 8.533 -3.970 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.959 6.919 -3.295 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.360 7.901 -1.723 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.567 7.288 -2.836 1.00 0.00 H new ATOM 648 N TRP A 43 7.530 4.770 -4.858 1.00 0.00 N ATOM 649 CA TRP A 43 7.704 3.335 -4.708 1.00 0.00 C ATOM 650 C TRP A 43 8.182 2.774 -6.049 1.00 0.00 C ATOM 651 O TRP A 43 9.109 1.967 -6.094 1.00 0.00 O ATOM 652 CB TRP A 43 6.417 2.676 -4.209 1.00 0.00 C ATOM 653 CG TRP A 43 6.175 2.842 -2.707 1.00 0.00 C ATOM 654 CD1 TRP A 43 7.061 3.180 -1.761 1.00 0.00 C ATOM 655 CD2 TRP A 43 4.922 2.663 -2.013 1.00 0.00 C ATOM 656 NE1 TRP A 43 6.474 3.231 -0.513 1.00 0.00 N ATOM 657 CE2 TRP A 43 5.132 2.907 -0.671 1.00 0.00 C ATOM 658 CE3 TRP A 43 3.653 2.307 -2.504 1.00 0.00 C ATOM 659 CZ2 TRP A 43 4.118 2.821 0.291 1.00 0.00 C ATOM 660 CZ3 TRP A 43 2.651 2.225 -1.529 1.00 0.00 C ATOM 661 CH2 TRP A 43 2.846 2.468 -0.174 1.00 0.00 C ATOM 0 H TRP A 43 6.561 5.074 -4.955 1.00 0.00 H new ATOM 0 HA TRP A 43 8.456 3.115 -3.950 1.00 0.00 H new ATOM 0 HB2 TRP A 43 5.571 3.098 -4.752 1.00 0.00 H new ATOM 0 HB3 TRP A 43 6.450 1.613 -4.446 1.00 0.00 H new ATOM 0 HD1 TRP A 43 8.104 3.387 -1.951 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.940 3.464 0.364 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.466 2.112 -3.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.307 3.017 1.336 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.657 1.954 -1.852 1.00 0.00 H new ATOM 0 HH2 TRP A 43 2.020 2.385 0.517 1.00 0.00 H new ATOM 672 N PRO A 44 7.510 3.236 -7.137 1.00 0.00 N ATOM 673 CA PRO A 44 7.856 2.789 -8.476 1.00 0.00 C ATOM 674 C PRO A 44 9.152 3.445 -8.955 1.00 0.00 C ATOM 675 O PRO A 44 9.591 3.213 -10.080 1.00 0.00 O ATOM 676 CB PRO A 44 6.654 3.151 -9.334 1.00 0.00 C ATOM 677 CG PRO A 44 5.880 4.197 -8.548 1.00 0.00 C ATOM 678 CD PRO A 44 6.406 4.192 -7.122 1.00 0.00 C ATOM 0 HA PRO A 44 8.055 1.718 -8.524 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.969 3.543 -10.301 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.037 2.275 -9.531 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.005 5.182 -8.998 1.00 0.00 H new ATOM 0 HG3 PRO A 44 4.813 3.973 -8.562 1.00 0.00 H new ATOM 0 HD2 PRO A 44 6.745 5.183 -6.822 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.632 3.892 -6.416 1.00 0.00 H new ATOM 686 N THR A 45 9.728 4.253 -8.077 1.00 0.00 N ATOM 687 CA THR A 45 10.966 4.945 -8.396 1.00 0.00 C ATOM 688 C THR A 45 12.093 4.475 -7.474 1.00 0.00 C ATOM 689 O THR A 45 13.091 5.172 -7.303 1.00 0.00 O ATOM 690 CB THR A 45 10.701 6.449 -8.314 1.00 0.00 C ATOM 691 OG1 THR A 45 9.833 6.588 -7.192 1.00 0.00 O ATOM 692 CG2 THR A 45 9.872 6.963 -9.493 1.00 0.00 C ATOM 0 H THR A 45 9.361 4.444 -7.145 1.00 0.00 H new ATOM 0 HA THR A 45 11.299 4.714 -9.408 1.00 0.00 H new ATOM 0 HB THR A 45 11.650 6.983 -8.278 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.740 7.537 -6.966 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.713 8.036 -9.386 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.403 6.766 -10.424 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.909 6.453 -9.510 1.00 0.00 H new ATOM 700 N PHE A 46 11.895 3.295 -6.904 1.00 0.00 N ATOM 701 CA PHE A 46 12.882 2.724 -6.004 1.00 0.00 C ATOM 702 C PHE A 46 13.727 1.666 -6.716 1.00 0.00 C ATOM 703 O PHE A 46 14.686 1.146 -6.148 1.00 0.00 O ATOM 704 CB PHE A 46 12.113 2.060 -4.860 1.00 0.00 C ATOM 705 CG PHE A 46 11.800 2.998 -3.693 1.00 0.00 C ATOM 706 CD1 PHE A 46 11.934 4.343 -3.846 1.00 0.00 C ATOM 707 CD2 PHE A 46 11.387 2.488 -2.502 1.00 0.00 C ATOM 708 CE1 PHE A 46 11.644 5.213 -2.763 1.00 0.00 C ATOM 709 CE2 PHE A 46 11.096 3.358 -1.419 1.00 0.00 C ATOM 710 CZ PHE A 46 11.231 4.703 -1.572 1.00 0.00 C ATOM 0 H PHE A 46 11.066 2.719 -7.048 1.00 0.00 H new ATOM 0 HA PHE A 46 13.553 3.504 -5.645 1.00 0.00 H new ATOM 0 HB2 PHE A 46 11.178 1.658 -5.250 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.693 1.215 -4.488 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.261 4.749 -4.792 1.00 0.00 H new ATOM 0 HD2 PHE A 46 11.280 1.420 -2.380 1.00 0.00 H new ATOM 0 HE1 PHE A 46 11.751 6.281 -2.885 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.767 2.952 -0.474 1.00 0.00 H new ATOM 0 HZ PHE A 46 11.010 5.365 -0.748 1.00 0.00 H new ATOM 720 N ASP A 47 13.340 1.379 -7.951 1.00 0.00 N ATOM 721 CA ASP A 47 14.050 0.393 -8.747 1.00 0.00 C ATOM 722 C ASP A 47 13.931 -0.978 -8.078 1.00 0.00 C ATOM 723 O ASP A 47 14.814 -1.384 -7.325 1.00 0.00 O ATOM 724 CB ASP A 47 15.537 0.738 -8.854 1.00 0.00 C ATOM 725 CG ASP A 47 16.215 0.283 -10.148 1.00 0.00 C ATOM 726 OD1 ASP A 47 15.603 -0.555 -10.845 1.00 0.00 O ATOM 727 OD2 ASP A 47 17.330 0.783 -10.411 1.00 0.00 O ATOM 0 H ASP A 47 12.544 1.812 -8.419 1.00 0.00 H new ATOM 0 HA ASP A 47 13.609 0.384 -9.744 1.00 0.00 H new ATOM 0 HB2 ASP A 47 15.651 1.818 -8.762 1.00 0.00 H new ATOM 0 HB3 ASP A 47 16.060 0.289 -8.010 1.00 0.00 H new ATOM 732 N VAL A 48 12.831 -1.654 -8.378 1.00 0.00 N ATOM 733 CA VAL A 48 12.584 -2.970 -7.815 1.00 0.00 C ATOM 734 C VAL A 48 11.583 -3.718 -8.698 1.00 0.00 C ATOM 735 O VAL A 48 11.791 -4.885 -9.027 1.00 0.00 O ATOM 736 CB VAL A 48 12.120 -2.840 -6.363 1.00 0.00 C ATOM 737 CG1 VAL A 48 13.240 -2.291 -5.477 1.00 0.00 C ATOM 738 CG2 VAL A 48 10.866 -1.970 -6.264 1.00 0.00 C ATOM 0 H VAL A 48 12.101 -1.314 -9.004 1.00 0.00 H new ATOM 0 HA VAL A 48 13.503 -3.556 -7.797 1.00 0.00 H new ATOM 0 HB VAL A 48 11.865 -3.836 -6.002 1.00 0.00 H new ATOM 0 HG11 VAL A 48 12.884 -2.208 -4.450 1.00 0.00 H new ATOM 0 HG12 VAL A 48 14.095 -2.966 -5.511 1.00 0.00 H new ATOM 0 HG13 VAL A 48 13.540 -1.307 -5.837 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.557 -1.894 -5.221 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.082 -0.975 -6.652 1.00 0.00 H new ATOM 0 HG23 VAL A 48 10.064 -2.421 -6.848 1.00 0.00 H new ATOM 748 N GLY A 49 10.519 -3.015 -9.056 1.00 0.00 N ATOM 749 CA GLY A 49 9.485 -3.598 -9.895 1.00 0.00 C ATOM 750 C GLY A 49 8.091 -3.258 -9.363 1.00 0.00 C ATOM 751 O GLY A 49 7.208 -4.114 -9.333 1.00 0.00 O ATOM 0 H GLY A 49 10.350 -2.047 -8.781 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.589 -3.229 -10.915 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.610 -4.680 -9.933 1.00 0.00 H new ATOM 755 N TRP A 50 7.937 -2.007 -8.956 1.00 0.00 N ATOM 756 CA TRP A 50 6.666 -1.543 -8.427 1.00 0.00 C ATOM 757 C TRP A 50 5.994 -0.682 -9.498 1.00 0.00 C ATOM 758 O TRP A 50 6.612 0.231 -10.044 1.00 0.00 O ATOM 759 CB TRP A 50 6.861 -0.803 -7.101 1.00 0.00 C ATOM 760 CG TRP A 50 5.597 -0.116 -6.580 1.00 0.00 C ATOM 761 CD1 TRP A 50 5.089 1.067 -6.951 1.00 0.00 C ATOM 762 CD2 TRP A 50 4.697 -0.622 -5.572 1.00 0.00 C ATOM 763 NE1 TRP A 50 3.931 1.360 -6.259 1.00 0.00 N ATOM 764 CE2 TRP A 50 3.685 0.300 -5.394 1.00 0.00 C ATOM 765 CE3 TRP A 50 4.736 -1.819 -4.836 1.00 0.00 C ATOM 766 CZ2 TRP A 50 2.637 0.121 -4.483 1.00 0.00 C ATOM 767 CZ3 TRP A 50 3.681 -1.983 -3.929 1.00 0.00 C ATOM 768 CH2 TRP A 50 2.656 -1.064 -3.738 1.00 0.00 C ATOM 0 H TRP A 50 8.672 -1.300 -8.982 1.00 0.00 H new ATOM 0 HA TRP A 50 6.014 -2.385 -8.197 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.213 -1.510 -6.350 1.00 0.00 H new ATOM 0 HB3 TRP A 50 7.644 -0.055 -7.226 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.530 1.711 -7.698 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.361 2.199 -6.363 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.517 -2.554 -4.960 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.856 0.857 -4.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.663 -2.886 -3.337 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.877 -1.263 -3.017 1.00 0.00 H new ATOM 779 N PRO A 51 4.703 -1.011 -9.774 1.00 0.00 N ATOM 780 CA PRO A 51 3.940 -0.279 -10.770 1.00 0.00 C ATOM 781 C PRO A 51 3.513 1.090 -10.236 1.00 0.00 C ATOM 782 O PRO A 51 3.570 1.336 -9.033 1.00 0.00 O ATOM 783 CB PRO A 51 2.763 -1.180 -11.104 1.00 0.00 C ATOM 784 CG PRO A 51 2.654 -2.168 -9.955 1.00 0.00 C ATOM 785 CD PRO A 51 3.939 -2.086 -9.147 1.00 0.00 C ATOM 0 HA PRO A 51 4.521 -0.057 -11.665 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.846 -0.601 -11.209 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.924 -1.697 -12.050 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.794 -1.932 -9.329 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.505 -3.179 -10.334 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.734 -1.867 -8.099 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.485 -3.029 -9.175 1.00 0.00 H new ATOM 793 N PRO A 52 3.084 1.967 -11.182 1.00 0.00 N ATOM 794 CA PRO A 52 2.647 3.305 -10.820 1.00 0.00 C ATOM 795 C PRO A 52 1.262 3.272 -10.172 1.00 0.00 C ATOM 796 O PRO A 52 0.987 4.037 -9.248 1.00 0.00 O ATOM 797 CB PRO A 52 2.677 4.094 -12.118 1.00 0.00 C ATOM 798 CG PRO A 52 2.679 3.061 -13.234 1.00 0.00 C ATOM 799 CD PRO A 52 3.003 1.710 -12.617 1.00 0.00 C ATOM 0 HA PRO A 52 3.290 3.770 -10.073 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.811 4.751 -12.196 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.563 4.727 -12.170 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.708 3.032 -13.729 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.416 3.321 -13.993 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.231 0.975 -12.845 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.943 1.314 -13.002 1.00 0.00 H new ATOM 807 N GLU A 53 0.426 2.380 -10.681 1.00 0.00 N ATOM 808 CA GLU A 53 -0.924 2.238 -10.163 1.00 0.00 C ATOM 809 C GLU A 53 -0.912 1.433 -8.862 1.00 0.00 C ATOM 810 O GLU A 53 -1.908 1.397 -8.141 1.00 0.00 O ATOM 811 CB GLU A 53 -1.844 1.589 -11.200 1.00 0.00 C ATOM 812 CG GLU A 53 -1.389 0.164 -11.522 1.00 0.00 C ATOM 813 CD GLU A 53 -1.368 -0.077 -13.032 1.00 0.00 C ATOM 814 OE1 GLU A 53 -2.119 0.637 -13.731 1.00 0.00 O ATOM 815 OE2 GLU A 53 -0.601 -0.970 -13.454 1.00 0.00 O ATOM 0 H GLU A 53 0.657 1.748 -11.447 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.316 3.232 -9.949 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.867 1.572 -10.824 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.850 2.187 -12.111 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.395 -0.006 -11.109 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.059 -0.552 -11.045 1.00 0.00 H new ATOM 822 N GLY A 54 0.227 0.807 -8.601 1.00 0.00 N ATOM 823 CA GLY A 54 0.382 0.005 -7.400 1.00 0.00 C ATOM 824 C GLY A 54 0.108 -1.472 -7.687 1.00 0.00 C ATOM 825 O GLY A 54 -0.296 -1.828 -8.793 1.00 0.00 O ATOM 0 H GLY A 54 1.051 0.839 -9.201 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.393 0.122 -7.009 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.301 0.362 -6.629 1.00 0.00 H new ATOM 829 N THR A 55 0.338 -2.292 -6.672 1.00 0.00 N ATOM 830 CA THR A 55 0.120 -3.723 -6.802 1.00 0.00 C ATOM 831 C THR A 55 -0.098 -4.356 -5.427 1.00 0.00 C ATOM 832 O THR A 55 0.588 -4.013 -4.465 1.00 0.00 O ATOM 833 CB THR A 55 1.310 -4.315 -7.561 1.00 0.00 C ATOM 834 OG1 THR A 55 0.876 -5.624 -7.919 1.00 0.00 O ATOM 835 CG2 THR A 55 2.520 -4.557 -6.657 1.00 0.00 C ATOM 0 H THR A 55 0.673 -1.993 -5.756 1.00 0.00 H new ATOM 0 HA THR A 55 -0.786 -3.935 -7.370 1.00 0.00 H new ATOM 0 HB THR A 55 1.593 -3.645 -8.373 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.587 -6.080 -8.417 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.336 -4.977 -7.245 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.840 -3.613 -6.216 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.248 -5.254 -5.864 1.00 0.00 H new ATOM 843 N PHE A 56 -1.057 -5.269 -5.377 1.00 0.00 N ATOM 844 CA PHE A 56 -1.375 -5.953 -4.135 1.00 0.00 C ATOM 845 C PHE A 56 -0.559 -7.240 -3.993 1.00 0.00 C ATOM 846 O PHE A 56 -1.083 -8.268 -3.566 1.00 0.00 O ATOM 847 CB PHE A 56 -2.862 -6.310 -4.188 1.00 0.00 C ATOM 848 CG PHE A 56 -3.796 -5.116 -3.983 1.00 0.00 C ATOM 849 CD1 PHE A 56 -3.757 -4.414 -2.819 1.00 0.00 C ATOM 850 CD2 PHE A 56 -4.665 -4.756 -4.966 1.00 0.00 C ATOM 851 CE1 PHE A 56 -4.624 -3.305 -2.629 1.00 0.00 C ATOM 852 CE2 PHE A 56 -5.532 -3.647 -4.775 1.00 0.00 C ATOM 853 CZ PHE A 56 -5.493 -2.946 -3.611 1.00 0.00 C ATOM 0 H PHE A 56 -1.624 -5.551 -6.177 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.141 -5.310 -3.286 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.081 -6.768 -5.152 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.073 -7.059 -3.424 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -3.067 -4.700 -2.039 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.696 -5.313 -5.891 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.593 -2.747 -1.705 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.222 -3.361 -5.555 1.00 0.00 H new ATOM 0 HZ PHE A 56 -6.153 -2.103 -3.466 1.00 0.00 H new ATOM 863 N ASP A 57 0.711 -7.141 -4.360 1.00 0.00 N ATOM 864 CA ASP A 57 1.604 -8.284 -4.279 1.00 0.00 C ATOM 865 C ASP A 57 2.560 -8.096 -3.099 1.00 0.00 C ATOM 866 O ASP A 57 3.522 -7.335 -3.189 1.00 0.00 O ATOM 867 CB ASP A 57 2.444 -8.417 -5.551 1.00 0.00 C ATOM 868 CG ASP A 57 3.263 -9.706 -5.653 1.00 0.00 C ATOM 869 OD1 ASP A 57 2.949 -10.640 -4.884 1.00 0.00 O ATOM 870 OD2 ASP A 57 4.184 -9.728 -6.498 1.00 0.00 O ATOM 0 H ASP A 57 1.142 -6.287 -4.714 1.00 0.00 H new ATOM 0 HA ASP A 57 0.996 -9.180 -4.153 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.781 -8.356 -6.414 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.124 -7.567 -5.610 1.00 0.00 H new ATOM 875 N LEU A 58 2.261 -8.803 -2.019 1.00 0.00 N ATOM 876 CA LEU A 58 3.082 -8.724 -0.822 1.00 0.00 C ATOM 877 C LEU A 58 4.558 -8.811 -1.215 1.00 0.00 C ATOM 878 O LEU A 58 5.398 -8.120 -0.641 1.00 0.00 O ATOM 879 CB LEU A 58 2.652 -9.785 0.193 1.00 0.00 C ATOM 880 CG LEU A 58 3.401 -9.778 1.528 1.00 0.00 C ATOM 881 CD1 LEU A 58 2.800 -8.751 2.488 1.00 0.00 C ATOM 882 CD2 LEU A 58 3.442 -11.180 2.140 1.00 0.00 C ATOM 0 H LEU A 58 1.462 -9.433 -1.948 1.00 0.00 H new ATOM 0 HA LEU A 58 2.940 -7.764 -0.325 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.589 -9.657 0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.773 -10.767 -0.264 1.00 0.00 H new ATOM 0 HG LEU A 58 4.432 -9.478 1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.350 -8.766 3.429 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.866 -7.757 2.045 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.755 -8.996 2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.980 -11.148 3.088 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.425 -11.532 2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.951 -11.860 1.457 1.00 0.00 H new ATOM 894 N THR A 59 4.829 -9.667 -2.190 1.00 0.00 N ATOM 895 CA THR A 59 6.189 -9.853 -2.666 1.00 0.00 C ATOM 896 C THR A 59 6.801 -8.510 -3.070 1.00 0.00 C ATOM 897 O THR A 59 7.879 -8.149 -2.600 1.00 0.00 O ATOM 898 CB THR A 59 6.156 -10.873 -3.805 1.00 0.00 C ATOM 899 OG1 THR A 59 6.039 -12.129 -3.144 1.00 0.00 O ATOM 900 CG2 THR A 59 7.490 -10.965 -4.548 1.00 0.00 C ATOM 0 H THR A 59 4.130 -10.239 -2.663 1.00 0.00 H new ATOM 0 HA THR A 59 6.833 -10.244 -1.879 1.00 0.00 H new ATOM 0 HB THR A 59 5.367 -10.606 -4.508 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.009 -12.847 -3.810 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.412 -11.703 -5.346 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.736 -9.993 -4.975 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.274 -11.265 -3.852 1.00 0.00 H new ATOM 908 N VAL A 60 6.087 -7.807 -3.936 1.00 0.00 N ATOM 909 CA VAL A 60 6.546 -6.512 -4.408 1.00 0.00 C ATOM 910 C VAL A 60 6.528 -5.515 -3.248 1.00 0.00 C ATOM 911 O VAL A 60 7.392 -4.643 -3.161 1.00 0.00 O ATOM 912 CB VAL A 60 5.700 -6.059 -5.599 1.00 0.00 C ATOM 913 CG1 VAL A 60 6.086 -4.646 -6.040 1.00 0.00 C ATOM 914 CG2 VAL A 60 5.815 -7.047 -6.762 1.00 0.00 C ATOM 0 H VAL A 60 5.193 -8.110 -4.323 1.00 0.00 H new ATOM 0 HA VAL A 60 7.574 -6.578 -4.764 1.00 0.00 H new ATOM 0 HB VAL A 60 4.658 -6.038 -5.280 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.469 -4.348 -6.888 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.928 -3.951 -5.215 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.136 -4.630 -6.331 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.204 -6.701 -7.595 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.856 -7.116 -7.079 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.468 -8.029 -6.441 1.00 0.00 H new ATOM 924 N ILE A 61 5.535 -5.677 -2.386 1.00 0.00 N ATOM 925 CA ILE A 61 5.394 -4.802 -1.235 1.00 0.00 C ATOM 926 C ILE A 61 6.615 -4.958 -0.327 1.00 0.00 C ATOM 927 O ILE A 61 7.250 -3.971 0.041 1.00 0.00 O ATOM 928 CB ILE A 61 4.063 -5.061 -0.526 1.00 0.00 C ATOM 929 CG1 ILE A 61 2.885 -4.591 -1.382 1.00 0.00 C ATOM 930 CG2 ILE A 61 4.050 -4.424 0.866 1.00 0.00 C ATOM 931 CD1 ILE A 61 1.604 -5.340 -1.008 1.00 0.00 C ATOM 0 H ILE A 61 4.821 -6.401 -2.462 1.00 0.00 H new ATOM 0 HA ILE A 61 5.364 -3.759 -1.551 1.00 0.00 H new ATOM 0 HB ILE A 61 3.953 -6.137 -0.389 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.737 -3.520 -1.247 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.110 -4.751 -2.436 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.093 -4.623 1.348 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.854 -4.847 1.467 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.193 -3.347 0.775 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.782 -4.988 -1.631 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.748 -6.409 -1.167 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.369 -5.158 0.041 1.00 0.00 H new ATOM 943 N PHE A 62 6.908 -6.206 0.008 1.00 0.00 N ATOM 944 CA PHE A 62 8.042 -6.505 0.865 1.00 0.00 C ATOM 945 C PHE A 62 9.323 -5.872 0.320 1.00 0.00 C ATOM 946 O PHE A 62 10.216 -5.510 1.085 1.00 0.00 O ATOM 947 CB PHE A 62 8.204 -8.026 0.879 1.00 0.00 C ATOM 948 CG PHE A 62 7.834 -8.679 2.212 1.00 0.00 C ATOM 949 CD1 PHE A 62 6.545 -8.655 2.647 1.00 0.00 C ATOM 950 CD2 PHE A 62 8.793 -9.284 2.963 1.00 0.00 C ATOM 951 CE1 PHE A 62 6.202 -9.261 3.884 1.00 0.00 C ATOM 952 CE2 PHE A 62 8.450 -9.890 4.200 1.00 0.00 C ATOM 953 CZ PHE A 62 7.161 -9.866 4.635 1.00 0.00 C ATOM 0 H PHE A 62 6.379 -7.022 -0.299 1.00 0.00 H new ATOM 0 HA PHE A 62 7.868 -6.106 1.864 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.584 -8.454 0.092 1.00 0.00 H new ATOM 0 HB3 PHE A 62 9.238 -8.273 0.640 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.783 -8.175 2.051 1.00 0.00 H new ATOM 0 HD2 PHE A 62 9.816 -9.303 2.618 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.179 -9.242 4.229 1.00 0.00 H new ATOM 0 HE2 PHE A 62 9.212 -10.370 4.796 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.900 -10.327 5.576 1.00 0.00 H new ATOM 963 N GLU A 63 9.374 -5.759 -1.000 1.00 0.00 N ATOM 964 CA GLU A 63 10.532 -5.176 -1.657 1.00 0.00 C ATOM 965 C GLU A 63 10.664 -3.697 -1.287 1.00 0.00 C ATOM 966 O GLU A 63 11.722 -3.258 -0.839 1.00 0.00 O ATOM 967 CB GLU A 63 10.449 -5.357 -3.174 1.00 0.00 C ATOM 968 CG GLU A 63 10.542 -6.836 -3.556 1.00 0.00 C ATOM 969 CD GLU A 63 10.138 -7.051 -5.016 1.00 0.00 C ATOM 970 OE1 GLU A 63 10.703 -6.337 -5.872 1.00 0.00 O ATOM 971 OE2 GLU A 63 9.274 -7.925 -5.243 1.00 0.00 O ATOM 0 H GLU A 63 8.632 -6.061 -1.632 1.00 0.00 H new ATOM 0 HA GLU A 63 11.424 -5.697 -1.310 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.511 -4.941 -3.543 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.255 -4.802 -3.655 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.560 -7.192 -3.400 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.895 -7.425 -2.905 1.00 0.00 H new ATOM 978 N VAL A 64 9.574 -2.971 -1.488 1.00 0.00 N ATOM 979 CA VAL A 64 9.555 -1.550 -1.181 1.00 0.00 C ATOM 980 C VAL A 64 9.569 -1.361 0.337 1.00 0.00 C ATOM 981 O VAL A 64 10.169 -0.413 0.842 1.00 0.00 O ATOM 982 CB VAL A 64 8.353 -0.886 -1.856 1.00 0.00 C ATOM 983 CG1 VAL A 64 7.975 0.414 -1.143 1.00 0.00 C ATOM 984 CG2 VAL A 64 8.626 -0.638 -3.341 1.00 0.00 C ATOM 0 H VAL A 64 8.698 -3.339 -1.859 1.00 0.00 H new ATOM 0 HA VAL A 64 10.445 -1.061 -1.577 1.00 0.00 H new ATOM 0 HB VAL A 64 7.506 -1.568 -1.781 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.118 0.867 -1.642 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.719 0.199 -0.106 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.818 1.104 -1.173 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.756 -0.165 -3.797 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.492 0.016 -3.448 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.825 -1.588 -3.838 1.00 0.00 H new ATOM 994 N LYS A 65 8.901 -2.277 1.022 1.00 0.00 N ATOM 995 CA LYS A 65 8.829 -2.223 2.472 1.00 0.00 C ATOM 996 C LYS A 65 10.245 -2.274 3.051 1.00 0.00 C ATOM 997 O LYS A 65 10.658 -1.366 3.770 1.00 0.00 O ATOM 998 CB LYS A 65 7.907 -3.321 3.005 1.00 0.00 C ATOM 999 CG LYS A 65 8.155 -3.571 4.494 1.00 0.00 C ATOM 1000 CD LYS A 65 7.361 -4.783 4.986 1.00 0.00 C ATOM 1001 CE LYS A 65 5.962 -4.370 5.449 1.00 0.00 C ATOM 1002 NZ LYS A 65 5.172 -5.560 5.836 1.00 0.00 N ATOM 0 H LYS A 65 8.404 -3.061 0.599 1.00 0.00 H new ATOM 0 HA LYS A 65 8.385 -1.282 2.796 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.867 -3.035 2.849 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.071 -4.242 2.446 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.219 -3.734 4.667 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.871 -2.688 5.067 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.281 -5.519 4.186 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.893 -5.262 5.808 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.039 -3.687 6.295 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.452 -3.832 4.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.187 -5.279 6.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.197 -6.258 5.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.576 -5.980 6.697 1.00 0.00 H new ATOM 1016 N ALA A 66 10.949 -3.345 2.715 1.00 0.00 N ATOM 1017 CA ALA A 66 12.309 -3.526 3.192 1.00 0.00 C ATOM 1018 C ALA A 66 13.127 -2.272 2.879 1.00 0.00 C ATOM 1019 O ALA A 66 13.982 -1.871 3.666 1.00 0.00 O ATOM 1020 CB ALA A 66 12.908 -4.785 2.562 1.00 0.00 C ATOM 0 H ALA A 66 10.603 -4.096 2.118 1.00 0.00 H new ATOM 0 HA ALA A 66 12.320 -3.665 4.273 1.00 0.00 H new ATOM 0 HB1 ALA A 66 13.929 -4.921 2.920 1.00 0.00 H new ATOM 0 HB2 ALA A 66 12.308 -5.652 2.839 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.915 -4.681 1.477 1.00 0.00 H new ATOM 1026 N ILE A 67 12.834 -1.686 1.727 1.00 0.00 N ATOM 1027 CA ILE A 67 13.531 -0.485 1.299 1.00 0.00 C ATOM 1028 C ILE A 67 13.295 0.628 2.322 1.00 0.00 C ATOM 1029 O ILE A 67 14.245 1.229 2.820 1.00 0.00 O ATOM 1030 CB ILE A 67 13.123 -0.107 -0.126 1.00 0.00 C ATOM 1031 CG1 ILE A 67 13.768 -1.046 -1.148 1.00 0.00 C ATOM 1032 CG2 ILE A 67 13.440 1.361 -0.416 1.00 0.00 C ATOM 1033 CD1 ILE A 67 12.938 -1.112 -2.432 1.00 0.00 C ATOM 0 H ILE A 67 12.123 -2.021 1.077 1.00 0.00 H new ATOM 0 HA ILE A 67 14.606 -0.662 1.261 1.00 0.00 H new ATOM 0 HB ILE A 67 12.043 -0.226 -0.215 1.00 0.00 H new ATOM 0 HG12 ILE A 67 14.776 -0.701 -1.379 1.00 0.00 H new ATOM 0 HG13 ILE A 67 13.863 -2.044 -0.721 1.00 0.00 H new ATOM 0 HG21 ILE A 67 13.140 1.603 -1.435 1.00 0.00 H new ATOM 0 HG22 ILE A 67 12.896 1.996 0.283 1.00 0.00 H new ATOM 0 HG23 ILE A 67 14.511 1.531 -0.303 1.00 0.00 H new ATOM 0 HD11 ILE A 67 13.418 -1.786 -3.141 1.00 0.00 H new ATOM 0 HD12 ILE A 67 11.939 -1.481 -2.201 1.00 0.00 H new ATOM 0 HD13 ILE A 67 12.865 -0.116 -2.870 1.00 0.00 H new ATOM 1045 N VAL A 68 12.023 0.868 2.605 1.00 0.00 N ATOM 1046 CA VAL A 68 11.650 1.898 3.559 1.00 0.00 C ATOM 1047 C VAL A 68 12.044 1.448 4.968 1.00 0.00 C ATOM 1048 O VAL A 68 12.430 2.268 5.800 1.00 0.00 O ATOM 1049 CB VAL A 68 10.160 2.218 3.428 1.00 0.00 C ATOM 1050 CG1 VAL A 68 9.708 2.138 1.969 1.00 0.00 C ATOM 1051 CG2 VAL A 68 9.321 1.294 4.314 1.00 0.00 C ATOM 0 H VAL A 68 11.238 0.367 2.190 1.00 0.00 H new ATOM 0 HA VAL A 68 12.186 2.824 3.351 1.00 0.00 H new ATOM 0 HB VAL A 68 10.006 3.241 3.770 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.645 2.370 1.904 1.00 0.00 H new ATOM 0 HG12 VAL A 68 10.273 2.855 1.373 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.884 1.132 1.588 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.266 1.542 4.202 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.483 0.258 4.016 1.00 0.00 H new ATOM 0 HG23 VAL A 68 9.616 1.422 5.356 1.00 0.00 H new ATOM 1061 N PHE A 69 11.933 0.147 5.192 1.00 0.00 N ATOM 1062 CA PHE A 69 12.272 -0.421 6.485 1.00 0.00 C ATOM 1063 C PHE A 69 13.755 -0.793 6.549 1.00 0.00 C ATOM 1064 O PHE A 69 14.187 -1.482 7.471 1.00 0.00 O ATOM 1065 CB PHE A 69 11.433 -1.689 6.651 1.00 0.00 C ATOM 1066 CG PHE A 69 10.037 -1.441 7.226 1.00 0.00 C ATOM 1067 CD1 PHE A 69 9.001 -1.149 6.395 1.00 0.00 C ATOM 1068 CD2 PHE A 69 9.832 -1.513 8.569 1.00 0.00 C ATOM 1069 CE1 PHE A 69 7.706 -0.918 6.929 1.00 0.00 C ATOM 1070 CE2 PHE A 69 8.537 -1.283 9.103 1.00 0.00 C ATOM 1071 CZ PHE A 69 7.501 -0.990 8.271 1.00 0.00 C ATOM 0 H PHE A 69 11.613 -0.530 4.499 1.00 0.00 H new ATOM 0 HA PHE A 69 12.073 0.305 7.273 1.00 0.00 H new ATOM 0 HB2 PHE A 69 11.334 -2.176 5.681 1.00 0.00 H new ATOM 0 HB3 PHE A 69 11.965 -2.382 7.303 1.00 0.00 H new ATOM 0 HD1 PHE A 69 9.163 -1.093 5.329 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.655 -1.745 9.229 1.00 0.00 H new ATOM 0 HE1 PHE A 69 6.884 -0.685 6.269 1.00 0.00 H new ATOM 0 HE2 PHE A 69 8.374 -1.341 10.169 1.00 0.00 H new ATOM 0 HZ PHE A 69 6.516 -0.815 8.677 1.00 0.00 H new ATOM 1081 N GLN A 70 14.494 -0.320 5.556 1.00 0.00 N ATOM 1082 CA GLN A 70 15.919 -0.594 5.487 1.00 0.00 C ATOM 1083 C GLN A 70 16.637 0.023 6.689 1.00 0.00 C ATOM 1084 O GLN A 70 15.994 0.502 7.622 1.00 0.00 O ATOM 1085 CB GLN A 70 16.513 -0.084 4.173 1.00 0.00 C ATOM 1086 CG GLN A 70 16.787 1.420 4.242 1.00 0.00 C ATOM 1087 CD GLN A 70 17.393 1.928 2.932 1.00 0.00 C ATOM 1088 OE1 GLN A 70 18.578 2.203 2.832 1.00 0.00 O ATOM 1089 NE2 GLN A 70 16.518 2.036 1.937 1.00 0.00 N ATOM 0 H GLN A 70 14.132 0.251 4.792 1.00 0.00 H new ATOM 0 HA GLN A 70 16.063 -1.674 5.517 1.00 0.00 H new ATOM 0 HB2 GLN A 70 17.439 -0.616 3.958 1.00 0.00 H new ATOM 0 HB3 GLN A 70 15.826 -0.295 3.353 1.00 0.00 H new ATOM 0 HG2 GLN A 70 15.859 1.953 4.448 1.00 0.00 H new ATOM 0 HG3 GLN A 70 17.467 1.632 5.067 1.00 0.00 H new ATOM 0 HE21 GLN A 70 15.540 1.789 2.089 1.00 0.00 H new ATOM 0 HE22 GLN A 70 16.825 2.366 1.022 1.00 0.00 H new ATOM 1149 N HIS A 76 12.582 4.919 5.316 1.00 0.00 N ATOM 1150 CA HIS A 76 11.500 5.889 5.302 1.00 0.00 C ATOM 1151 C HIS A 76 10.447 5.497 6.340 1.00 0.00 C ATOM 1152 O HIS A 76 9.580 4.668 6.068 1.00 0.00 O ATOM 1153 CB HIS A 76 10.920 6.035 3.894 1.00 0.00 C ATOM 1154 CG HIS A 76 11.917 5.777 2.789 1.00 0.00 C ATOM 1155 ND1 HIS A 76 12.956 6.644 2.499 1.00 0.00 N ATOM 1156 CD2 HIS A 76 12.023 4.741 1.909 1.00 0.00 C ATOM 1157 CE1 HIS A 76 13.648 6.143 1.487 1.00 0.00 C ATOM 1158 NE2 HIS A 76 13.068 4.964 1.122 1.00 0.00 N ATOM 0 HA HIS A 76 11.883 6.872 5.577 1.00 0.00 H new ATOM 0 HB2 HIS A 76 10.084 5.345 3.783 1.00 0.00 H new ATOM 0 HB3 HIS A 76 10.519 7.042 3.780 1.00 0.00 H new ATOM 0 HD2 HIS A 76 11.368 3.884 1.861 1.00 0.00 H new ATOM 0 HE1 HIS A 76 14.519 6.590 1.031 1.00 0.00 H new ATOM 0 HE2 HIS A 76 13.385 4.354 0.368 1.00 0.00 H new ATOM 1166 N PRO A 77 10.558 6.130 7.539 1.00 0.00 N ATOM 1167 CA PRO A 77 9.625 5.856 8.619 1.00 0.00 C ATOM 1168 C PRO A 77 8.272 6.520 8.356 1.00 0.00 C ATOM 1169 O PRO A 77 7.319 6.314 9.106 1.00 0.00 O ATOM 1170 CB PRO A 77 10.310 6.379 9.872 1.00 0.00 C ATOM 1171 CG PRO A 77 11.386 7.338 9.389 1.00 0.00 C ATOM 1172 CD PRO A 77 11.572 7.118 7.897 1.00 0.00 C ATOM 0 HA PRO A 77 9.397 4.795 8.719 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.598 6.886 10.523 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.745 5.563 10.449 1.00 0.00 H new ATOM 0 HG2 PRO A 77 11.096 8.369 9.589 1.00 0.00 H new ATOM 0 HG3 PRO A 77 12.321 7.161 9.920 1.00 0.00 H new ATOM 0 HD2 PRO A 77 11.436 8.045 7.340 1.00 0.00 H new ATOM 0 HD3 PRO A 77 12.575 6.755 7.672 1.00 0.00 H new ATOM 1180 N ASP A 78 8.231 7.303 7.288 1.00 0.00 N ATOM 1181 CA ASP A 78 7.010 7.998 6.917 1.00 0.00 C ATOM 1182 C ASP A 78 6.116 7.054 6.111 1.00 0.00 C ATOM 1183 O ASP A 78 4.897 7.052 6.281 1.00 0.00 O ATOM 1184 CB ASP A 78 7.315 9.219 6.046 1.00 0.00 C ATOM 1185 CG ASP A 78 8.048 10.356 6.760 1.00 0.00 C ATOM 1186 OD1 ASP A 78 7.792 10.523 7.972 1.00 0.00 O ATOM 1187 OD2 ASP A 78 8.848 11.032 6.078 1.00 0.00 O ATOM 0 H ASP A 78 9.023 7.471 6.668 1.00 0.00 H new ATOM 0 HA ASP A 78 6.515 8.322 7.832 1.00 0.00 H new ATOM 0 HB2 ASP A 78 7.915 8.898 5.195 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.377 9.605 5.647 1.00 0.00 H new ATOM 1192 N GLN A 79 6.755 6.275 5.251 1.00 0.00 N ATOM 1193 CA GLN A 79 6.032 5.328 4.419 1.00 0.00 C ATOM 1194 C GLN A 79 5.873 3.993 5.149 1.00 0.00 C ATOM 1195 O GLN A 79 5.047 3.167 4.765 1.00 0.00 O ATOM 1196 CB GLN A 79 6.733 5.136 3.072 1.00 0.00 C ATOM 1197 CG GLN A 79 6.979 6.481 2.386 1.00 0.00 C ATOM 1198 CD GLN A 79 7.895 6.317 1.171 1.00 0.00 C ATOM 1199 OE1 GLN A 79 7.783 5.378 0.399 1.00 0.00 O ATOM 1200 NE2 GLN A 79 8.803 7.280 1.044 1.00 0.00 N ATOM 0 H GLN A 79 7.765 6.280 5.112 1.00 0.00 H new ATOM 0 HA GLN A 79 5.039 5.732 4.221 1.00 0.00 H new ATOM 0 HB2 GLN A 79 7.682 4.621 3.222 1.00 0.00 H new ATOM 0 HB3 GLN A 79 6.124 4.501 2.428 1.00 0.00 H new ATOM 0 HG2 GLN A 79 6.028 6.913 2.074 1.00 0.00 H new ATOM 0 HG3 GLN A 79 7.429 7.177 3.094 1.00 0.00 H new ATOM 0 HE21 GLN A 79 8.842 8.037 1.726 1.00 0.00 H new ATOM 0 HE22 GLN A 79 9.461 7.261 0.264 1.00 0.00 H new ATOM 1209 N GLN A 80 6.676 3.824 6.189 1.00 0.00 N ATOM 1210 CA GLN A 80 6.635 2.604 6.976 1.00 0.00 C ATOM 1211 C GLN A 80 5.190 2.259 7.345 1.00 0.00 C ATOM 1212 O GLN A 80 4.757 1.121 7.174 1.00 0.00 O ATOM 1213 CB GLN A 80 7.505 2.729 8.228 1.00 0.00 C ATOM 1214 CG GLN A 80 8.864 2.057 8.020 1.00 0.00 C ATOM 1215 CD GLN A 80 9.820 2.384 9.169 1.00 0.00 C ATOM 1216 OE1 GLN A 80 9.431 2.499 10.320 1.00 0.00 O ATOM 1217 NE2 GLN A 80 11.088 2.528 8.794 1.00 0.00 N ATOM 0 H GLN A 80 7.359 4.512 6.505 1.00 0.00 H new ATOM 0 HA GLN A 80 7.040 1.792 6.372 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.649 3.782 8.472 1.00 0.00 H new ATOM 0 HB3 GLN A 80 6.995 2.272 9.077 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.732 0.977 7.948 1.00 0.00 H new ATOM 0 HG3 GLN A 80 9.297 2.389 7.076 1.00 0.00 H new ATOM 0 HE21 GLN A 80 11.345 2.418 7.813 1.00 0.00 H new ATOM 0 HE22 GLN A 80 11.803 2.748 9.487 1.00 0.00 H new ATOM 1226 N PRO A 81 4.467 3.290 7.858 1.00 0.00 N ATOM 1227 CA PRO A 81 3.080 3.108 8.253 1.00 0.00 C ATOM 1228 C PRO A 81 2.167 3.031 7.028 1.00 0.00 C ATOM 1229 O PRO A 81 1.057 2.507 7.108 1.00 0.00 O ATOM 1230 CB PRO A 81 2.768 4.292 9.153 1.00 0.00 C ATOM 1231 CG PRO A 81 3.836 5.333 8.857 1.00 0.00 C ATOM 1232 CD PRO A 81 4.947 4.651 8.075 1.00 0.00 C ATOM 0 HA PRO A 81 2.913 2.169 8.781 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.772 4.685 8.950 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.787 4.000 10.203 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.416 6.158 8.282 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.225 5.755 9.784 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.135 5.160 7.130 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.884 4.656 8.632 1.00 0.00 H new ATOM 1240 N TYR A 82 2.668 3.561 5.922 1.00 0.00 N ATOM 1241 CA TYR A 82 1.911 3.559 4.681 1.00 0.00 C ATOM 1242 C TYR A 82 2.005 2.200 3.984 1.00 0.00 C ATOM 1243 O TYR A 82 0.990 1.630 3.588 1.00 0.00 O ATOM 1244 CB TYR A 82 2.558 4.621 3.791 1.00 0.00 C ATOM 1245 CG TYR A 82 2.267 6.059 4.226 1.00 0.00 C ATOM 1246 CD1 TYR A 82 2.614 6.480 5.494 1.00 0.00 C ATOM 1247 CD2 TYR A 82 1.657 6.935 3.350 1.00 0.00 C ATOM 1248 CE1 TYR A 82 2.340 7.833 5.903 1.00 0.00 C ATOM 1249 CE2 TYR A 82 1.383 8.288 3.760 1.00 0.00 C ATOM 1250 CZ TYR A 82 1.738 8.670 5.016 1.00 0.00 C ATOM 1251 OH TYR A 82 1.479 9.948 5.402 1.00 0.00 O ATOM 0 H TYR A 82 3.589 3.995 5.859 1.00 0.00 H new ATOM 0 HA TYR A 82 0.857 3.761 4.874 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.637 4.466 3.783 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.209 4.484 2.767 1.00 0.00 H new ATOM 0 HD1 TYR A 82 3.091 5.795 6.179 1.00 0.00 H new ATOM 0 HD2 TYR A 82 1.386 6.606 2.358 1.00 0.00 H new ATOM 0 HE1 TYR A 82 2.607 8.176 6.892 1.00 0.00 H new ATOM 0 HE2 TYR A 82 0.906 8.984 3.085 1.00 0.00 H new ATOM 0 HH TYR A 82 1.814 10.569 4.722 1.00 0.00 H new ATOM 1261 N ILE A 83 3.233 1.721 3.855 1.00 0.00 N ATOM 1262 CA ILE A 83 3.473 0.440 3.213 1.00 0.00 C ATOM 1263 C ILE A 83 2.906 -0.680 4.088 1.00 0.00 C ATOM 1264 O ILE A 83 2.408 -1.681 3.577 1.00 0.00 O ATOM 1265 CB ILE A 83 4.959 0.273 2.887 1.00 0.00 C ATOM 1266 CG1 ILE A 83 5.185 -0.912 1.946 1.00 0.00 C ATOM 1267 CG2 ILE A 83 5.790 0.156 4.166 1.00 0.00 C ATOM 1268 CD1 ILE A 83 4.256 -0.833 0.733 1.00 0.00 C ATOM 0 H ILE A 83 4.073 2.197 4.184 1.00 0.00 H new ATOM 0 HA ILE A 83 2.953 0.391 2.256 1.00 0.00 H new ATOM 0 HB ILE A 83 5.297 1.168 2.364 1.00 0.00 H new ATOM 0 HG12 ILE A 83 6.223 -0.924 1.614 1.00 0.00 H new ATOM 0 HG13 ILE A 83 5.011 -1.845 2.482 1.00 0.00 H new ATOM 0 HG21 ILE A 83 6.842 0.038 3.907 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.663 1.057 4.766 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.458 -0.711 4.738 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.437 -1.687 0.080 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.219 -0.845 1.068 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.450 0.090 0.186 1.00 0.00 H new ATOM 1280 N THR A 84 3.001 -0.471 5.394 1.00 0.00 N ATOM 1281 CA THR A 84 2.503 -1.450 6.345 1.00 0.00 C ATOM 1282 C THR A 84 1.045 -1.797 6.040 1.00 0.00 C ATOM 1283 O THR A 84 0.665 -2.967 6.056 1.00 0.00 O ATOM 1284 CB THR A 84 2.713 -0.890 7.753 1.00 0.00 C ATOM 1285 OG1 THR A 84 4.102 -1.088 8.002 1.00 0.00 O ATOM 1286 CG2 THR A 84 2.019 -1.730 8.827 1.00 0.00 C ATOM 0 H THR A 84 3.415 0.361 5.815 1.00 0.00 H new ATOM 0 HA THR A 84 3.050 -2.390 6.268 1.00 0.00 H new ATOM 0 HB THR A 84 2.340 0.133 7.795 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.565 -0.225 7.978 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.200 -1.289 9.807 1.00 0.00 H new ATOM 0 HG22 THR A 84 0.947 -1.755 8.633 1.00 0.00 H new ATOM 0 HG23 THR A 84 2.415 -2.745 8.807 1.00 0.00 H new ATOM 1294 N VAL A 85 0.267 -0.759 5.770 1.00 0.00 N ATOM 1295 CA VAL A 85 -1.142 -0.939 5.463 1.00 0.00 C ATOM 1296 C VAL A 85 -1.278 -1.767 4.183 1.00 0.00 C ATOM 1297 O VAL A 85 -2.137 -2.643 4.094 1.00 0.00 O ATOM 1298 CB VAL A 85 -1.836 0.421 5.372 1.00 0.00 C ATOM 1299 CG1 VAL A 85 -3.229 0.286 4.755 1.00 0.00 C ATOM 1300 CG2 VAL A 85 -1.906 1.093 6.744 1.00 0.00 C ATOM 0 H VAL A 85 0.586 0.210 5.757 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.640 -1.489 6.261 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.241 1.058 4.717 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.700 1.267 4.702 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.144 -0.130 3.751 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.837 -0.376 5.371 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.404 2.058 6.651 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.467 0.460 7.431 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.897 1.241 7.129 1.00 0.00 H new ATOM 1310 N TRP A 86 -0.417 -1.459 3.223 1.00 0.00 N ATOM 1311 CA TRP A 86 -0.431 -2.163 1.952 1.00 0.00 C ATOM 1312 C TRP A 86 -0.290 -3.659 2.239 1.00 0.00 C ATOM 1313 O TRP A 86 -1.099 -4.462 1.776 1.00 0.00 O ATOM 1314 CB TRP A 86 0.657 -1.629 1.018 1.00 0.00 C ATOM 1315 CG TRP A 86 0.218 -0.432 0.172 1.00 0.00 C ATOM 1316 CD1 TRP A 86 0.213 0.864 0.516 1.00 0.00 C ATOM 1317 CD2 TRP A 86 -0.284 -0.472 -1.180 1.00 0.00 C ATOM 1318 NE1 TRP A 86 -0.253 1.658 -0.512 1.00 0.00 N ATOM 1319 CE2 TRP A 86 -0.565 0.820 -1.576 1.00 0.00 C ATOM 1320 CE3 TRP A 86 -0.494 -1.564 -2.041 1.00 0.00 C ATOM 1321 CZ2 TRP A 86 -1.071 1.141 -2.841 1.00 0.00 C ATOM 1322 CZ3 TRP A 86 -1.000 -1.226 -3.301 1.00 0.00 C ATOM 1323 CH2 TRP A 86 -1.288 0.069 -3.715 1.00 0.00 C ATOM 0 H TRP A 86 0.294 -0.732 3.300 1.00 0.00 H new ATOM 0 HA TRP A 86 -1.372 -1.996 1.429 1.00 0.00 H new ATOM 0 HB2 TRP A 86 1.524 -1.342 1.613 1.00 0.00 H new ATOM 0 HB3 TRP A 86 0.978 -2.432 0.354 1.00 0.00 H new ATOM 0 HD1 TRP A 86 0.533 1.239 1.477 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -0.351 2.673 -0.494 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -0.282 -2.583 -1.752 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -1.283 2.161 -3.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -1.179 -2.028 -4.001 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -1.677 0.248 -4.706 1.00 0.00 H new ATOM 1334 N GLN A 87 0.743 -3.989 3.001 1.00 0.00 N ATOM 1335 CA GLN A 87 0.999 -5.374 3.355 1.00 0.00 C ATOM 1336 C GLN A 87 -0.217 -5.976 4.061 1.00 0.00 C ATOM 1337 O GLN A 87 -0.499 -7.165 3.915 1.00 0.00 O ATOM 1338 CB GLN A 87 2.253 -5.495 4.224 1.00 0.00 C ATOM 1339 CG GLN A 87 2.366 -6.895 4.832 1.00 0.00 C ATOM 1340 CD GLN A 87 1.958 -6.887 6.307 1.00 0.00 C ATOM 1341 OE1 GLN A 87 1.040 -6.198 6.720 1.00 0.00 O ATOM 1342 NE2 GLN A 87 2.690 -7.690 7.074 1.00 0.00 N ATOM 0 H GLN A 87 1.412 -3.320 3.383 1.00 0.00 H new ATOM 0 HA GLN A 87 1.176 -5.936 2.438 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.138 -5.283 3.624 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.222 -4.751 5.020 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.731 -7.588 4.279 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.390 -7.255 4.736 1.00 0.00 H new ATOM 0 HE21 GLN A 87 3.444 -8.240 6.663 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.497 -7.756 8.073 1.00 0.00 H new ATOM 1351 N ASP A 88 -0.906 -5.128 4.810 1.00 0.00 N ATOM 1352 CA ASP A 88 -2.087 -5.562 5.538 1.00 0.00 C ATOM 1353 C ASP A 88 -3.247 -5.745 4.558 1.00 0.00 C ATOM 1354 O ASP A 88 -4.098 -6.611 4.754 1.00 0.00 O ATOM 1355 CB ASP A 88 -2.506 -4.520 6.578 1.00 0.00 C ATOM 1356 CG ASP A 88 -2.975 -5.094 7.916 1.00 0.00 C ATOM 1357 OD1 ASP A 88 -2.244 -5.955 8.452 1.00 0.00 O ATOM 1358 OD2 ASP A 88 -4.055 -4.660 8.372 1.00 0.00 O ATOM 0 H ASP A 88 -0.670 -4.143 4.929 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.848 -6.499 6.041 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.664 -3.853 6.761 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.308 -3.913 6.159 1.00 0.00 H new ATOM 1363 N LEU A 89 -3.244 -4.916 3.525 1.00 0.00 N ATOM 1364 CA LEU A 89 -4.286 -4.975 2.514 1.00 0.00 C ATOM 1365 C LEU A 89 -4.229 -6.332 1.809 1.00 0.00 C ATOM 1366 O LEU A 89 -5.228 -7.047 1.750 1.00 0.00 O ATOM 1367 CB LEU A 89 -4.177 -3.782 1.562 1.00 0.00 C ATOM 1368 CG LEU A 89 -4.841 -2.487 2.033 1.00 0.00 C ATOM 1369 CD1 LEU A 89 -4.244 -1.274 1.317 1.00 0.00 C ATOM 1370 CD2 LEU A 89 -6.361 -2.558 1.869 1.00 0.00 C ATOM 0 H LEU A 89 -2.536 -4.199 3.366 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.270 -4.896 2.975 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.121 -3.581 1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.615 -4.065 0.605 1.00 0.00 H new ATOM 0 HG LEU A 89 -4.638 -2.366 3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.733 -0.366 1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.176 -1.216 1.528 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.397 -1.374 0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.808 -1.625 2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.607 -2.714 0.819 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.752 -3.386 2.460 1.00 0.00 H new ATOM 1382 N VAL A 90 -3.050 -6.645 1.292 1.00 0.00 N ATOM 1383 CA VAL A 90 -2.850 -7.903 0.593 1.00 0.00 C ATOM 1384 C VAL A 90 -3.166 -9.063 1.539 1.00 0.00 C ATOM 1385 O VAL A 90 -3.858 -10.007 1.161 1.00 0.00 O ATOM 1386 CB VAL A 90 -1.431 -7.966 0.024 1.00 0.00 C ATOM 1387 CG1 VAL A 90 -1.191 -6.833 -0.976 1.00 0.00 C ATOM 1388 CG2 VAL A 90 -0.389 -7.939 1.144 1.00 0.00 C ATOM 0 H VAL A 90 -2.224 -6.049 1.343 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.530 -7.980 -0.255 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.325 -8.911 -0.509 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.175 -6.901 -1.366 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.901 -6.917 -1.798 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.325 -5.873 -0.477 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.611 -7.985 0.712 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.495 -7.018 1.717 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.540 -8.795 1.802 1.00 0.00 H new ATOM 1398 N GLN A 91 -2.644 -8.955 2.752 1.00 0.00 N ATOM 1399 CA GLN A 91 -2.862 -9.983 3.756 1.00 0.00 C ATOM 1400 C GLN A 91 -4.360 -10.232 3.943 1.00 0.00 C ATOM 1401 O GLN A 91 -4.845 -11.335 3.695 1.00 0.00 O ATOM 1402 CB GLN A 91 -2.199 -9.604 5.082 1.00 0.00 C ATOM 1403 CG GLN A 91 -0.710 -9.958 5.071 1.00 0.00 C ATOM 1404 CD GLN A 91 -0.474 -11.353 5.653 1.00 0.00 C ATOM 1405 OE1 GLN A 91 -1.371 -11.998 6.169 1.00 0.00 O ATOM 1406 NE2 GLN A 91 0.781 -11.780 5.540 1.00 0.00 N ATOM 0 H GLN A 91 -2.070 -8.171 3.062 1.00 0.00 H new ATOM 0 HA GLN A 91 -2.400 -10.907 3.408 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -2.321 -8.536 5.262 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -2.694 -10.124 5.902 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -0.330 -9.917 4.050 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -0.153 -9.220 5.648 1.00 0.00 H new ATOM 0 HE21 GLN A 91 1.483 -11.188 5.096 1.00 0.00 H new ATOM 0 HE22 GLN A 91 1.041 -12.699 5.897 1.00 0.00 H new ATOM 1415 N ASN A 92 -5.051 -9.189 4.380 1.00 0.00 N ATOM 1416 CA ASN A 92 -6.484 -9.281 4.603 1.00 0.00 C ATOM 1417 C ASN A 92 -7.223 -8.775 3.363 1.00 0.00 C ATOM 1418 O ASN A 92 -8.105 -7.923 3.466 1.00 0.00 O ATOM 1419 CB ASN A 92 -6.912 -8.420 5.793 1.00 0.00 C ATOM 1420 CG ASN A 92 -6.804 -9.202 7.104 1.00 0.00 C ATOM 1421 OD1 ASN A 92 -7.722 -9.885 7.527 1.00 0.00 O ATOM 1422 ND2 ASN A 92 -5.634 -9.065 7.721 1.00 0.00 N ATOM 0 H ASN A 92 -4.645 -8.276 4.586 1.00 0.00 H new ATOM 0 HA ASN A 92 -6.727 -10.324 4.806 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.287 -7.529 5.845 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -7.938 -8.082 5.651 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -5.463 -9.548 8.603 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.907 -8.477 7.312 1.00 0.00 H new ATOM 1429 N SER A 93 -6.836 -9.320 2.219 1.00 0.00 N ATOM 1430 CA SER A 93 -7.451 -8.935 0.961 1.00 0.00 C ATOM 1431 C SER A 93 -8.955 -8.734 1.153 1.00 0.00 C ATOM 1432 O SER A 93 -9.690 -9.695 1.377 1.00 0.00 O ATOM 1433 CB SER A 93 -7.189 -9.982 -0.124 1.00 0.00 C ATOM 1434 OG SER A 93 -7.652 -11.274 0.259 1.00 0.00 O ATOM 0 H SER A 93 -6.104 -10.025 2.137 1.00 0.00 H new ATOM 0 HA SER A 93 -7.004 -7.995 0.636 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.683 -9.679 -1.047 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.120 -10.027 -0.334 1.00 0.00 H new ATOM 0 HG SER A 93 -8.462 -11.183 0.804 1.00 0.00 H new ATOM 1440 N PRO A 94 -9.381 -7.446 1.055 1.00 0.00 N ATOM 1441 CA PRO A 94 -10.784 -7.107 1.216 1.00 0.00 C ATOM 1442 C PRO A 94 -11.589 -7.503 -0.023 1.00 0.00 C ATOM 1443 O PRO A 94 -11.019 -7.908 -1.035 1.00 0.00 O ATOM 1444 CB PRO A 94 -10.800 -5.611 1.481 1.00 0.00 C ATOM 1445 CG PRO A 94 -9.456 -5.088 1.000 1.00 0.00 C ATOM 1446 CD PRO A 94 -8.539 -6.283 0.791 1.00 0.00 C ATOM 0 HA PRO A 94 -11.256 -7.648 2.036 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -11.620 -5.129 0.949 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.943 -5.404 2.542 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -9.574 -4.530 0.071 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -9.029 -4.402 1.732 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -8.141 -6.304 -0.224 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -7.685 -6.250 1.468 1.00 0.00 H new ATOM 1454 N PRO A 95 -12.937 -7.369 0.100 1.00 0.00 N ATOM 1455 CA PRO A 95 -13.826 -7.708 -0.998 1.00 0.00 C ATOM 1456 C PRO A 95 -13.784 -6.636 -2.089 1.00 0.00 C ATOM 1457 O PRO A 95 -14.086 -6.913 -3.249 1.00 0.00 O ATOM 1458 CB PRO A 95 -15.199 -7.854 -0.362 1.00 0.00 C ATOM 1459 CG PRO A 95 -15.116 -7.140 0.977 1.00 0.00 C ATOM 1460 CD PRO A 95 -13.648 -6.892 1.283 1.00 0.00 C ATOM 0 HA PRO A 95 -13.536 -8.629 -1.505 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -15.971 -7.413 -0.993 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -15.458 -8.904 -0.229 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.663 -6.198 0.942 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.572 -7.744 1.761 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.454 -5.834 1.462 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.334 -7.430 2.178 1.00 0.00 H new ATOM 1468 N TRP A 96 -13.407 -5.434 -1.679 1.00 0.00 N ATOM 1469 CA TRP A 96 -13.322 -4.319 -2.606 1.00 0.00 C ATOM 1470 C TRP A 96 -12.009 -4.448 -3.381 1.00 0.00 C ATOM 1471 O TRP A 96 -11.715 -3.632 -4.253 1.00 0.00 O ATOM 1472 CB TRP A 96 -13.453 -2.983 -1.872 1.00 0.00 C ATOM 1473 CG TRP A 96 -12.431 -2.786 -0.750 1.00 0.00 C ATOM 1474 CD1 TRP A 96 -12.557 -3.105 0.545 1.00 0.00 C ATOM 1475 CD2 TRP A 96 -11.114 -2.210 -0.878 1.00 0.00 C ATOM 1476 NE1 TRP A 96 -11.422 -2.778 1.259 1.00 0.00 N ATOM 1477 CE2 TRP A 96 -10.517 -2.216 0.366 1.00 0.00 C ATOM 1478 CE3 TRP A 96 -10.450 -1.700 -2.007 1.00 0.00 C ATOM 1479 CZ2 TRP A 96 -9.227 -1.725 0.599 1.00 0.00 C ATOM 1480 CZ3 TRP A 96 -9.161 -1.213 -1.757 1.00 0.00 C ATOM 1481 CH2 TRP A 96 -8.546 -1.212 -0.511 1.00 0.00 C ATOM 0 H TRP A 96 -13.157 -5.208 -0.716 1.00 0.00 H new ATOM 0 HA TRP A 96 -14.150 -4.344 -3.315 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -13.347 -2.172 -2.593 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -14.456 -2.907 -1.453 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -13.436 -3.561 0.976 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -11.274 -2.922 2.258 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -10.898 -1.685 -2.989 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -8.781 -1.741 1.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -8.606 -0.810 -2.591 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -7.547 -0.817 -0.400 1.00 0.00 H new ATOM 1492 N ILE A 97 -11.254 -5.481 -3.035 1.00 0.00 N ATOM 1493 CA ILE A 97 -9.979 -5.728 -3.688 1.00 0.00 C ATOM 1494 C ILE A 97 -10.031 -7.079 -4.403 1.00 0.00 C ATOM 1495 O ILE A 97 -9.920 -7.142 -5.627 1.00 0.00 O ATOM 1496 CB ILE A 97 -8.831 -5.607 -2.684 1.00 0.00 C ATOM 1497 CG1 ILE A 97 -8.650 -4.157 -2.229 1.00 0.00 C ATOM 1498 CG2 ILE A 97 -7.539 -6.194 -3.255 1.00 0.00 C ATOM 1499 CD1 ILE A 97 -7.467 -4.027 -1.268 1.00 0.00 C ATOM 0 H ILE A 97 -11.501 -6.156 -2.311 1.00 0.00 H new ATOM 0 HA ILE A 97 -9.787 -4.971 -4.449 1.00 0.00 H new ATOM 0 HB ILE A 97 -9.087 -6.192 -1.801 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.490 -3.517 -3.097 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.560 -3.809 -1.740 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.739 -6.095 -2.521 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -7.690 -7.248 -3.488 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.266 -5.658 -4.164 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -7.361 -2.987 -0.960 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -7.641 -4.649 -0.390 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.555 -4.352 -1.768 1.00 0.00 H new