USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 508 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 11 LYS NZ :NH3+ -142:sc= 0.697 (180deg=-0.177) USER MOD Set 1.2: A 65 TYR OH : rot 15:sc= 0.637 USER MOD Set 2.1: A 18 THR OG1 : rot -169:sc= 0.179 USER MOD Set 2.2: A 21 ASN : amide:sc= 1.16 K(o=1.3,f=-1.2) USER MOD Single : A 5 TYR OH : rot -121:sc= 0.517 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -76:sc= 0.231 USER MOD Single : A 13 THR OG1 : rot 87:sc= 1.28 USER MOD Single : A 15 LYS NZ :NH3+ -143:sc= 1.62 (180deg=0.167) USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -130:sc= -0.338 (180deg=-2.3) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0413 USER MOD Single : A 34 SER OG : rot 90:sc= 1.26 USER MOD Single : A 36 LYS NZ :NH3+ 136:sc= 1.27 (180deg=0.774) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -178:sc= 1.23 (180deg=1.2) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 58 ASN : amide:sc= -4.1! C(o=-4.1!,f=-3.6!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 164:sc= 1.52 (180deg=0.917) USER MOD ----------------------------------------------------------------- ATOM 80 N TYR A 5 3.760 13.552 -5.388 1.00 0.00 N ATOM 81 CA TYR A 5 2.555 14.354 -5.105 1.00 0.00 C ATOM 82 C TYR A 5 2.634 15.083 -3.741 1.00 0.00 C ATOM 83 O TYR A 5 1.791 15.896 -3.429 1.00 0.00 O ATOM 84 CB TYR A 5 1.247 13.541 -5.229 1.00 0.00 C ATOM 85 CG TYR A 5 1.099 12.823 -6.555 1.00 0.00 C ATOM 86 CD1 TYR A 5 1.306 11.453 -6.654 1.00 0.00 C ATOM 87 CD2 TYR A 5 0.779 13.516 -7.707 1.00 0.00 C ATOM 88 CE1 TYR A 5 1.198 10.801 -7.865 1.00 0.00 C ATOM 89 CE2 TYR A 5 0.665 12.867 -8.918 1.00 0.00 C ATOM 90 CZ TYR A 5 0.877 11.513 -8.993 1.00 0.00 C ATOM 91 OH TYR A 5 0.781 10.868 -10.212 1.00 0.00 O ATOM 0 HA TYR A 5 2.528 15.118 -5.882 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.207 12.808 -4.423 1.00 0.00 H new ATOM 0 HB3 TYR A 5 0.399 14.212 -5.092 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.556 10.889 -5.768 1.00 0.00 H new ATOM 0 HD2 TYR A 5 0.616 14.582 -7.658 1.00 0.00 H new ATOM 0 HE1 TYR A 5 1.365 9.736 -7.925 1.00 0.00 H new ATOM 0 HE2 TYR A 5 0.409 13.424 -9.807 1.00 0.00 H new ATOM 0 HH TYR A 5 1.420 11.262 -10.842 1.00 0.00 H new ATOM 101 N SER A 6 3.683 14.830 -2.982 1.00 0.00 N ATOM 102 CA SER A 6 3.895 15.446 -1.684 1.00 0.00 C ATOM 103 C SER A 6 4.318 16.897 -1.901 1.00 0.00 C ATOM 104 O SER A 6 3.866 17.815 -1.198 1.00 0.00 O ATOM 105 CB SER A 6 4.971 14.652 -0.917 1.00 0.00 C ATOM 106 OG SER A 6 5.167 15.148 0.387 1.00 0.00 O ATOM 0 H SER A 6 4.423 14.182 -3.252 1.00 0.00 H new ATOM 0 HA SER A 6 2.981 15.434 -1.090 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.679 13.603 -0.865 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.912 14.694 -1.466 1.00 0.00 H new ATOM 0 HG SER A 6 5.855 14.617 0.839 1.00 0.00 H new ATOM 112 N SER A 7 5.140 17.101 -2.926 1.00 0.00 N ATOM 113 CA SER A 7 5.549 18.431 -3.332 1.00 0.00 C ATOM 114 C SER A 7 4.313 19.178 -3.867 1.00 0.00 C ATOM 115 O SER A 7 4.171 20.394 -3.710 1.00 0.00 O ATOM 116 CB SER A 7 6.649 18.322 -4.414 1.00 0.00 C ATOM 117 OG SER A 7 7.114 19.595 -4.854 1.00 0.00 O ATOM 0 H SER A 7 5.536 16.351 -3.492 1.00 0.00 H new ATOM 0 HA SER A 7 5.960 18.985 -2.488 1.00 0.00 H new ATOM 0 HB2 SER A 7 7.488 17.750 -4.017 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.260 17.767 -5.267 1.00 0.00 H new ATOM 0 HG SER A 7 6.450 19.997 -5.452 1.00 0.00 H new ATOM 123 N LEU A 8 3.396 18.412 -4.444 1.00 0.00 N ATOM 124 CA LEU A 8 2.168 18.941 -4.997 1.00 0.00 C ATOM 125 C LEU A 8 1.263 19.379 -3.899 1.00 0.00 C ATOM 126 O LEU A 8 0.679 20.453 -3.958 1.00 0.00 O ATOM 127 CB LEU A 8 1.482 17.888 -5.857 1.00 0.00 C ATOM 128 CG LEU A 8 0.148 18.279 -6.493 1.00 0.00 C ATOM 129 CD1 LEU A 8 0.232 19.633 -7.172 1.00 0.00 C ATOM 130 CD2 LEU A 8 -0.258 17.224 -7.479 1.00 0.00 C ATOM 0 H LEU A 8 3.489 17.401 -4.539 1.00 0.00 H new ATOM 0 HA LEU A 8 2.404 19.801 -5.623 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.168 17.602 -6.655 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.319 17.002 -5.243 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.603 18.355 -5.706 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.734 19.879 -7.613 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.500 20.392 -6.437 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.991 19.601 -7.954 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.209 17.499 -7.935 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.504 17.137 -8.253 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.364 16.268 -6.966 1.00 0.00 H new ATOM 142 N LEU A 9 1.173 18.554 -2.891 1.00 0.00 N ATOM 143 CA LEU A 9 0.384 18.810 -1.743 1.00 0.00 C ATOM 144 C LEU A 9 0.777 20.131 -1.068 1.00 0.00 C ATOM 145 O LEU A 9 -0.064 20.799 -0.455 1.00 0.00 O ATOM 146 CB LEU A 9 0.506 17.641 -0.785 1.00 0.00 C ATOM 147 CG LEU A 9 -0.208 16.341 -1.166 1.00 0.00 C ATOM 148 CD1 LEU A 9 0.062 15.272 -0.127 1.00 0.00 C ATOM 149 CD2 LEU A 9 -1.704 16.560 -1.304 1.00 0.00 C ATOM 0 H LEU A 9 1.666 17.662 -2.857 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.657 18.916 -2.047 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.565 17.419 -0.658 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.129 17.961 0.186 1.00 0.00 H new ATOM 0 HG LEU A 9 0.181 16.013 -2.130 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.451 14.353 -0.409 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.134 15.085 -0.067 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.303 15.608 0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.186 15.621 -1.575 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.109 16.915 -0.356 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.893 17.302 -2.080 1.00 0.00 H new ATOM 161 N GLY A 10 2.044 20.504 -1.207 1.00 0.00 N ATOM 162 CA GLY A 10 2.506 21.773 -0.702 1.00 0.00 C ATOM 163 C GLY A 10 1.815 22.919 -1.415 1.00 0.00 C ATOM 164 O GLY A 10 1.246 23.806 -0.778 1.00 0.00 O ATOM 0 H GLY A 10 2.761 19.941 -1.665 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.313 21.836 0.369 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.585 21.852 -0.837 1.00 0.00 H new ATOM 168 N LYS A 11 1.809 22.855 -2.745 1.00 0.00 N ATOM 169 CA LYS A 11 1.165 23.832 -3.575 1.00 0.00 C ATOM 170 C LYS A 11 -0.318 23.846 -3.319 1.00 0.00 C ATOM 171 O LYS A 11 -0.924 24.902 -3.203 1.00 0.00 O ATOM 172 CB LYS A 11 1.426 23.504 -5.033 1.00 0.00 C ATOM 173 CG LYS A 11 2.812 23.835 -5.522 1.00 0.00 C ATOM 174 CD LYS A 11 3.043 25.343 -5.533 1.00 0.00 C ATOM 175 CE LYS A 11 4.420 25.702 -6.061 1.00 0.00 C ATOM 176 NZ LYS A 11 5.497 25.107 -5.251 1.00 0.00 N ATOM 0 H LYS A 11 2.262 22.107 -3.269 1.00 0.00 H new ATOM 0 HA LYS A 11 1.569 24.817 -3.339 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.247 22.440 -5.188 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.703 24.042 -5.646 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.552 23.355 -4.881 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.952 23.435 -6.526 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.282 25.822 -6.149 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.928 25.735 -4.522 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.512 25.361 -7.092 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.532 26.786 -6.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.285 25.782 -5.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.135 24.884 -4.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.833 24.235 -5.707 1.00 0.00 H new ATOM 190 N ILE A 12 -0.884 22.666 -3.225 1.00 0.00 N ATOM 191 CA ILE A 12 -2.298 22.494 -2.957 1.00 0.00 C ATOM 192 C ILE A 12 -2.705 23.210 -1.669 1.00 0.00 C ATOM 193 O ILE A 12 -3.657 23.984 -1.658 1.00 0.00 O ATOM 194 CB ILE A 12 -2.688 20.988 -2.904 1.00 0.00 C ATOM 195 CG1 ILE A 12 -2.483 20.348 -4.284 1.00 0.00 C ATOM 196 CG2 ILE A 12 -4.126 20.808 -2.435 1.00 0.00 C ATOM 197 CD1 ILE A 12 -2.774 18.865 -4.341 1.00 0.00 C ATOM 0 H ILE A 12 -0.374 21.789 -3.333 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.846 22.948 -3.783 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.042 20.489 -2.182 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.122 20.858 -5.005 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.453 20.515 -4.598 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.370 19.746 -2.408 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.239 21.232 -1.437 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.800 21.317 -3.124 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.602 18.499 -5.353 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.117 18.338 -3.649 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.813 18.687 -4.062 1.00 0.00 H new ATOM 209 N THR A 13 -1.959 23.007 -0.625 1.00 0.00 N ATOM 210 CA THR A 13 -2.259 23.616 0.651 1.00 0.00 C ATOM 211 C THR A 13 -2.052 25.140 0.615 1.00 0.00 C ATOM 212 O THR A 13 -2.844 25.905 1.170 1.00 0.00 O ATOM 213 CB THR A 13 -1.385 23.001 1.743 1.00 0.00 C ATOM 214 OG1 THR A 13 -1.521 21.561 1.682 1.00 0.00 O ATOM 215 CG2 THR A 13 -1.826 23.491 3.115 1.00 0.00 C ATOM 0 H THR A 13 -1.126 22.418 -0.626 1.00 0.00 H new ATOM 0 HA THR A 13 -3.309 23.424 0.871 1.00 0.00 H new ATOM 0 HB THR A 13 -0.347 23.295 1.586 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.880 21.199 1.035 1.00 0.00 H new ATOM 0 HG21 THR A 13 -1.193 23.044 3.882 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.738 24.576 3.159 1.00 0.00 H new ATOM 0 HG23 THR A 13 -2.863 23.204 3.288 1.00 0.00 H new ATOM 223 N GLU A 14 -1.039 25.567 -0.071 1.00 0.00 N ATOM 224 CA GLU A 14 -0.707 26.964 -0.126 1.00 0.00 C ATOM 225 C GLU A 14 -1.568 27.771 -1.099 1.00 0.00 C ATOM 226 O GLU A 14 -1.643 28.994 -0.990 1.00 0.00 O ATOM 227 CB GLU A 14 0.751 27.132 -0.421 1.00 0.00 C ATOM 228 CG GLU A 14 1.670 26.757 0.722 1.00 0.00 C ATOM 229 CD GLU A 14 3.118 26.972 0.382 1.00 0.00 C ATOM 230 OE1 GLU A 14 3.667 28.055 0.705 1.00 0.00 O ATOM 231 OE2 GLU A 14 3.746 26.072 -0.213 1.00 0.00 O ATOM 0 H GLU A 14 -0.418 24.963 -0.609 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.930 27.376 0.858 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.005 26.524 -1.289 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.936 28.171 -0.694 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.414 27.349 1.601 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.512 25.711 0.985 1.00 0.00 H new ATOM 238 N LYS A 15 -2.220 27.113 -2.035 1.00 0.00 N ATOM 239 CA LYS A 15 -3.014 27.789 -2.996 1.00 0.00 C ATOM 240 C LYS A 15 -4.485 27.564 -2.778 1.00 0.00 C ATOM 241 O LYS A 15 -5.281 28.503 -2.792 1.00 0.00 O ATOM 242 CB LYS A 15 -2.656 27.299 -4.369 1.00 0.00 C ATOM 243 CG LYS A 15 -1.766 28.234 -5.173 1.00 0.00 C ATOM 244 CD LYS A 15 -0.353 28.266 -4.606 1.00 0.00 C ATOM 245 CE LYS A 15 0.504 29.365 -5.220 1.00 0.00 C ATOM 246 NZ LYS A 15 0.520 29.339 -6.699 1.00 0.00 N ATOM 0 H LYS A 15 -2.204 26.098 -2.137 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.813 28.855 -2.893 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.155 26.336 -4.275 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.576 27.127 -4.928 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.737 27.909 -6.213 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.188 29.239 -5.165 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.403 28.410 -3.527 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.124 27.301 -4.777 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.134 30.334 -4.885 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.525 29.268 -4.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.468 29.595 -7.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.279 28.384 -7.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.176 30.020 -7.066 1.00 0.00 H new ATOM 260 N CYS A 16 -4.847 26.336 -2.568 1.00 0.00 N ATOM 261 CA CYS A 16 -6.189 25.969 -2.467 1.00 0.00 C ATOM 262 C CYS A 16 -6.528 25.876 -1.021 1.00 0.00 C ATOM 263 O CYS A 16 -7.561 26.357 -0.582 1.00 0.00 O ATOM 264 CB CYS A 16 -6.367 24.627 -3.142 1.00 0.00 C ATOM 265 SG CYS A 16 -5.868 24.600 -4.877 1.00 0.00 S ATOM 0 H CYS A 16 -4.192 25.561 -2.463 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.843 26.697 -2.947 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -5.790 23.880 -2.598 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -7.414 24.334 -3.072 1.00 0.00 H new ATOM 0 HG CYS A 16 -6.056 23.409 -5.364 1.00 0.00 H new ATOM 271 N GLY A 17 -5.638 25.272 -0.277 1.00 0.00 N ATOM 272 CA GLY A 17 -5.842 25.136 1.107 1.00 0.00 C ATOM 273 C GLY A 17 -5.642 23.746 1.581 1.00 0.00 C ATOM 274 O GLY A 17 -4.833 23.490 2.446 1.00 0.00 O ATOM 0 H GLY A 17 -4.767 24.871 -0.626 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.158 25.798 1.638 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.854 25.458 1.354 1.00 0.00 H new ATOM 278 N THR A 18 -6.378 22.857 1.015 1.00 0.00 N ATOM 279 CA THR A 18 -6.378 21.454 1.383 1.00 0.00 C ATOM 280 C THR A 18 -6.738 20.650 0.149 1.00 0.00 C ATOM 281 O THR A 18 -7.014 21.242 -0.910 1.00 0.00 O ATOM 282 CB THR A 18 -7.445 21.153 2.480 1.00 0.00 C ATOM 283 OG1 THR A 18 -8.757 21.456 1.983 1.00 0.00 O ATOM 284 CG2 THR A 18 -7.193 21.965 3.732 1.00 0.00 C ATOM 0 H THR A 18 -7.024 23.076 0.256 1.00 0.00 H new ATOM 0 HA THR A 18 -5.394 21.193 1.772 1.00 0.00 H new ATOM 0 HB THR A 18 -7.374 20.095 2.730 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.400 21.433 2.722 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.954 21.732 4.476 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.208 21.722 4.131 1.00 0.00 H new ATOM 0 HG23 THR A 18 -7.235 23.027 3.491 1.00 0.00 H new ATOM 292 N GLN A 19 -6.785 19.331 0.277 1.00 0.00 N ATOM 293 CA GLN A 19 -7.160 18.460 -0.832 1.00 0.00 C ATOM 294 C GLN A 19 -8.660 18.590 -1.103 1.00 0.00 C ATOM 295 O GLN A 19 -9.127 18.370 -2.220 1.00 0.00 O ATOM 296 CB GLN A 19 -6.777 17.006 -0.529 1.00 0.00 C ATOM 297 CG GLN A 19 -5.282 16.811 -0.307 1.00 0.00 C ATOM 298 CD GLN A 19 -4.916 15.398 0.103 1.00 0.00 C ATOM 299 OE1 GLN A 19 -4.638 14.540 -0.736 1.00 0.00 O ATOM 300 NE2 GLN A 19 -4.898 15.148 1.387 1.00 0.00 N ATOM 0 H GLN A 19 -6.567 18.837 1.142 1.00 0.00 H new ATOM 0 HA GLN A 19 -6.617 18.765 -1.727 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.316 16.673 0.358 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -7.100 16.373 -1.355 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -4.749 17.066 -1.223 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.942 17.505 0.462 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -5.134 15.883 2.053 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.648 14.218 1.722 1.00 0.00 H new ATOM 309 N TYR A 20 -9.401 18.968 -0.068 1.00 0.00 N ATOM 310 CA TYR A 20 -10.827 19.229 -0.180 1.00 0.00 C ATOM 311 C TYR A 20 -11.033 20.439 -1.050 1.00 0.00 C ATOM 312 O TYR A 20 -11.766 20.411 -2.021 1.00 0.00 O ATOM 313 CB TYR A 20 -11.413 19.530 1.190 1.00 0.00 C ATOM 314 CG TYR A 20 -12.918 19.705 1.177 1.00 0.00 C ATOM 315 CD1 TYR A 20 -13.753 18.631 0.925 1.00 0.00 C ATOM 316 CD2 TYR A 20 -13.499 20.949 1.407 1.00 0.00 C ATOM 317 CE1 TYR A 20 -15.122 18.783 0.898 1.00 0.00 C ATOM 318 CE2 TYR A 20 -14.870 21.109 1.387 1.00 0.00 C ATOM 319 CZ TYR A 20 -15.678 20.022 1.130 1.00 0.00 C ATOM 320 OH TYR A 20 -17.056 20.173 1.102 1.00 0.00 O ATOM 0 H TYR A 20 -9.028 19.102 0.872 1.00 0.00 H new ATOM 0 HA TYR A 20 -11.315 18.353 -0.606 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -11.155 18.721 1.873 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -10.953 20.437 1.582 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -13.324 17.656 0.746 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -12.867 21.802 1.604 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -15.757 17.933 0.696 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -15.307 22.079 1.571 1.00 0.00 H new ATOM 0 HH TYR A 20 -17.286 21.108 1.286 1.00 0.00 H new ATOM 330 N ASN A 21 -10.382 21.498 -0.661 1.00 0.00 N ATOM 331 CA ASN A 21 -10.421 22.768 -1.384 1.00 0.00 C ATOM 332 C ASN A 21 -9.938 22.582 -2.825 1.00 0.00 C ATOM 333 O ASN A 21 -10.454 23.212 -3.747 1.00 0.00 O ATOM 334 CB ASN A 21 -9.524 23.777 -0.705 1.00 0.00 C ATOM 335 CG ASN A 21 -9.964 24.246 0.684 1.00 0.00 C ATOM 336 OD1 ASN A 21 -10.662 23.546 1.427 1.00 0.00 O ATOM 337 ND2 ASN A 21 -9.513 25.412 1.060 1.00 0.00 N ATOM 0 H ASN A 21 -9.798 21.519 0.175 1.00 0.00 H new ATOM 0 HA ASN A 21 -11.451 23.123 -1.387 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.526 23.346 -0.621 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.441 24.651 -1.351 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.734 25.769 1.990 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.939 25.966 0.424 1.00 0.00 H new ATOM 344 N PHE A 22 -8.920 21.737 -2.989 1.00 0.00 N ATOM 345 CA PHE A 22 -8.383 21.345 -4.303 1.00 0.00 C ATOM 346 C PHE A 22 -9.503 20.830 -5.161 1.00 0.00 C ATOM 347 O PHE A 22 -9.703 21.292 -6.280 1.00 0.00 O ATOM 348 CB PHE A 22 -7.372 20.224 -4.121 1.00 0.00 C ATOM 349 CG PHE A 22 -6.686 19.761 -5.387 1.00 0.00 C ATOM 350 CD1 PHE A 22 -7.018 18.542 -5.963 1.00 0.00 C ATOM 351 CD2 PHE A 22 -5.717 20.538 -5.997 1.00 0.00 C ATOM 352 CE1 PHE A 22 -6.397 18.109 -7.115 1.00 0.00 C ATOM 353 CE2 PHE A 22 -5.091 20.108 -7.154 1.00 0.00 C ATOM 354 CZ PHE A 22 -5.431 18.893 -7.711 1.00 0.00 C ATOM 0 H PHE A 22 -8.435 21.297 -2.207 1.00 0.00 H new ATOM 0 HA PHE A 22 -7.910 22.209 -4.771 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -6.610 20.555 -3.415 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -7.877 19.371 -3.668 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.774 17.924 -5.502 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.446 21.490 -5.566 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -6.666 17.158 -7.550 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.336 20.724 -7.621 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.942 18.556 -8.613 1.00 0.00 H new ATOM 364 N ALA A 23 -10.218 19.863 -4.610 1.00 0.00 N ATOM 365 CA ALA A 23 -11.384 19.261 -5.249 1.00 0.00 C ATOM 366 C ALA A 23 -12.347 20.354 -5.733 1.00 0.00 C ATOM 367 O ALA A 23 -12.735 20.380 -6.900 1.00 0.00 O ATOM 368 CB ALA A 23 -12.109 18.339 -4.270 1.00 0.00 C ATOM 0 H ALA A 23 -10.005 19.467 -3.695 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.044 18.677 -6.104 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.976 17.897 -4.761 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.433 17.548 -3.947 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.436 18.913 -3.403 1.00 0.00 H new ATOM 374 N ILE A 24 -12.665 21.287 -4.832 1.00 0.00 N ATOM 375 CA ILE A 24 -13.562 22.409 -5.101 1.00 0.00 C ATOM 376 C ILE A 24 -13.060 23.243 -6.294 1.00 0.00 C ATOM 377 O ILE A 24 -13.805 23.519 -7.247 1.00 0.00 O ATOM 378 CB ILE A 24 -13.627 23.337 -3.869 1.00 0.00 C ATOM 379 CG1 ILE A 24 -13.984 22.547 -2.604 1.00 0.00 C ATOM 380 CG2 ILE A 24 -14.623 24.481 -4.086 1.00 0.00 C ATOM 381 CD1 ILE A 24 -15.332 21.875 -2.611 1.00 0.00 C ATOM 0 H ILE A 24 -12.299 21.282 -3.880 1.00 0.00 H new ATOM 0 HA ILE A 24 -14.546 21.998 -5.328 1.00 0.00 H new ATOM 0 HB ILE A 24 -12.637 23.772 -3.734 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -13.220 21.786 -2.446 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.941 23.224 -1.751 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -14.646 25.117 -3.201 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.316 25.072 -4.949 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -15.617 24.070 -4.263 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -15.480 21.346 -1.669 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -16.112 22.626 -2.732 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -15.381 21.166 -3.437 1.00 0.00 H new ATOM 393 N ALA A 25 -11.789 23.610 -6.241 1.00 0.00 N ATOM 394 CA ALA A 25 -11.147 24.444 -7.262 1.00 0.00 C ATOM 395 C ALA A 25 -11.048 23.720 -8.609 1.00 0.00 C ATOM 396 O ALA A 25 -11.158 24.335 -9.674 1.00 0.00 O ATOM 397 CB ALA A 25 -9.767 24.873 -6.786 1.00 0.00 C ATOM 0 H ALA A 25 -11.163 23.338 -5.483 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.768 25.327 -7.413 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.295 25.492 -7.549 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.862 25.444 -5.863 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.154 23.990 -6.605 1.00 0.00 H new ATOM 403 N MET A 26 -10.860 22.423 -8.547 1.00 0.00 N ATOM 404 CA MET A 26 -10.737 21.580 -9.733 1.00 0.00 C ATOM 405 C MET A 26 -12.089 21.221 -10.331 1.00 0.00 C ATOM 406 O MET A 26 -12.167 20.750 -11.466 1.00 0.00 O ATOM 407 CB MET A 26 -9.968 20.303 -9.398 1.00 0.00 C ATOM 408 CG MET A 26 -8.477 20.496 -9.210 1.00 0.00 C ATOM 409 SD MET A 26 -7.628 20.864 -10.758 1.00 0.00 S ATOM 410 CE MET A 26 -7.896 19.329 -11.662 1.00 0.00 C ATOM 0 H MET A 26 -10.786 21.910 -7.669 1.00 0.00 H new ATOM 0 HA MET A 26 -10.189 22.157 -10.478 1.00 0.00 H new ATOM 0 HB2 MET A 26 -10.383 19.873 -8.487 1.00 0.00 H new ATOM 0 HB3 MET A 26 -10.130 19.577 -10.195 1.00 0.00 H new ATOM 0 HG2 MET A 26 -8.305 21.308 -8.503 1.00 0.00 H new ATOM 0 HG3 MET A 26 -8.050 19.595 -8.770 1.00 0.00 H new ATOM 0 HE1 MET A 26 -6.947 18.972 -12.061 1.00 0.00 H new ATOM 0 HE2 MET A 26 -8.312 18.579 -10.990 1.00 0.00 H new ATOM 0 HE3 MET A 26 -8.591 19.507 -12.483 1.00 0.00 H new ATOM 420 N GLY A 27 -13.146 21.446 -9.583 1.00 0.00 N ATOM 421 CA GLY A 27 -14.470 21.088 -10.054 1.00 0.00 C ATOM 422 C GLY A 27 -14.705 19.610 -9.873 1.00 0.00 C ATOM 423 O GLY A 27 -15.404 18.962 -10.653 1.00 0.00 O ATOM 0 H GLY A 27 -13.119 21.870 -8.656 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.224 21.653 -9.506 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.574 21.354 -11.106 1.00 0.00 H new ATOM 427 N LEU A 28 -14.105 19.086 -8.851 1.00 0.00 N ATOM 428 CA LEU A 28 -14.161 17.697 -8.549 1.00 0.00 C ATOM 429 C LEU A 28 -14.837 17.506 -7.217 1.00 0.00 C ATOM 430 O LEU A 28 -15.163 18.476 -6.526 1.00 0.00 O ATOM 431 CB LEU A 28 -12.742 17.125 -8.465 1.00 0.00 C ATOM 432 CG LEU A 28 -11.879 17.204 -9.724 1.00 0.00 C ATOM 433 CD1 LEU A 28 -10.487 16.693 -9.436 1.00 0.00 C ATOM 434 CD2 LEU A 28 -12.483 16.381 -10.814 1.00 0.00 C ATOM 0 H LEU A 28 -13.550 19.629 -8.189 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.718 17.184 -9.333 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.216 17.643 -7.663 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.817 16.078 -8.173 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.826 18.246 -10.039 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.882 16.755 -10.341 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.031 17.299 -8.653 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.541 15.656 -9.106 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.860 16.445 -11.706 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.549 15.342 -10.491 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.481 16.755 -11.041 1.00 0.00 H new ATOM 446 N SER A 29 -15.044 16.290 -6.871 1.00 0.00 N ATOM 447 CA SER A 29 -15.564 15.952 -5.599 1.00 0.00 C ATOM 448 C SER A 29 -14.413 15.343 -4.843 1.00 0.00 C ATOM 449 O SER A 29 -13.537 14.706 -5.467 1.00 0.00 O ATOM 450 CB SER A 29 -16.708 14.946 -5.738 1.00 0.00 C ATOM 451 OG SER A 29 -17.404 14.792 -4.514 1.00 0.00 O ATOM 0 H SER A 29 -14.854 15.489 -7.473 1.00 0.00 H new ATOM 0 HA SER A 29 -15.970 16.822 -5.083 1.00 0.00 H new ATOM 0 HB2 SER A 29 -17.398 15.280 -6.513 1.00 0.00 H new ATOM 0 HB3 SER A 29 -16.312 13.982 -6.058 1.00 0.00 H new ATOM 0 HG SER A 29 -18.131 14.145 -4.630 1.00 0.00 H new ATOM 457 N GLU A 30 -14.389 15.509 -3.533 1.00 0.00 N ATOM 458 CA GLU A 30 -13.274 15.031 -2.733 1.00 0.00 C ATOM 459 C GLU A 30 -13.032 13.544 -2.860 1.00 0.00 C ATOM 460 O GLU A 30 -11.901 13.090 -2.811 1.00 0.00 O ATOM 461 CB GLU A 30 -13.347 15.495 -1.285 1.00 0.00 C ATOM 462 CG GLU A 30 -14.639 15.238 -0.534 1.00 0.00 C ATOM 463 CD GLU A 30 -14.991 13.802 -0.297 1.00 0.00 C ATOM 464 OE1 GLU A 30 -15.896 13.281 -0.970 1.00 0.00 O ATOM 465 OE2 GLU A 30 -14.356 13.162 0.567 1.00 0.00 O ATOM 0 H GLU A 30 -15.127 15.970 -3.001 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.390 15.503 -3.161 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.537 15.014 -0.736 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.153 16.567 -1.265 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.580 15.740 0.432 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.455 15.704 -1.086 1.00 0.00 H new ATOM 472 N ARG A 31 -14.094 12.810 -3.070 1.00 0.00 N ATOM 473 CA ARG A 31 -14.037 11.382 -3.218 1.00 0.00 C ATOM 474 C ARG A 31 -13.226 11.022 -4.455 1.00 0.00 C ATOM 475 O ARG A 31 -12.296 10.223 -4.406 1.00 0.00 O ATOM 476 CB ARG A 31 -15.446 10.843 -3.380 1.00 0.00 C ATOM 477 CG ARG A 31 -15.556 9.320 -3.433 1.00 0.00 C ATOM 478 CD ARG A 31 -15.060 8.643 -2.162 1.00 0.00 C ATOM 479 NE ARG A 31 -15.225 7.180 -2.214 1.00 0.00 N ATOM 480 CZ ARG A 31 -14.908 6.322 -1.224 1.00 0.00 C ATOM 481 NH1 ARG A 31 -14.389 6.764 -0.075 1.00 0.00 N ATOM 482 NH2 ARG A 31 -15.118 5.026 -1.392 1.00 0.00 N ATOM 0 H ARG A 31 -15.036 13.195 -3.144 1.00 0.00 H new ATOM 0 HA ARG A 31 -13.566 10.948 -2.336 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -16.055 11.207 -2.552 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -15.873 11.255 -4.295 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -16.596 9.042 -3.604 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -14.983 8.949 -4.283 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -14.008 8.884 -2.010 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -15.604 9.039 -1.305 1.00 0.00 H new ATOM 0 HE ARG A 31 -15.611 6.783 -3.071 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -14.228 7.762 0.061 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -14.154 6.104 0.666 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -15.517 4.683 -2.266 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -14.881 4.370 -0.648 1.00 0.00 H new ATOM 496 N THR A 32 -13.569 11.682 -5.534 1.00 0.00 N ATOM 497 CA THR A 32 -12.988 11.451 -6.843 1.00 0.00 C ATOM 498 C THR A 32 -11.526 11.889 -6.834 1.00 0.00 C ATOM 499 O THR A 32 -10.650 11.240 -7.422 1.00 0.00 O ATOM 500 CB THR A 32 -13.759 12.270 -7.890 1.00 0.00 C ATOM 501 OG1 THR A 32 -15.164 12.254 -7.558 1.00 0.00 O ATOM 502 CG2 THR A 32 -13.574 11.674 -9.276 1.00 0.00 C ATOM 0 H THR A 32 -14.278 12.415 -5.531 1.00 0.00 H new ATOM 0 HA THR A 32 -13.048 10.391 -7.089 1.00 0.00 H new ATOM 0 HB THR A 32 -13.378 13.291 -7.889 1.00 0.00 H new ATOM 0 HG1 THR A 32 -15.663 12.776 -8.221 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.127 12.267 -10.004 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.515 11.677 -9.535 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.947 10.650 -9.284 1.00 0.00 H new ATOM 510 N VAL A 33 -11.274 12.980 -6.141 1.00 0.00 N ATOM 511 CA VAL A 33 -9.967 13.502 -5.939 1.00 0.00 C ATOM 512 C VAL A 33 -9.131 12.560 -5.212 1.00 0.00 C ATOM 513 O VAL A 33 -7.995 12.337 -5.581 1.00 0.00 O ATOM 514 CB VAL A 33 -10.058 14.813 -5.181 1.00 0.00 C ATOM 515 CG1 VAL A 33 -8.734 15.334 -4.780 1.00 0.00 C ATOM 516 CG2 VAL A 33 -10.583 15.758 -6.088 1.00 0.00 C ATOM 0 H VAL A 33 -12.005 13.534 -5.695 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.508 13.673 -6.913 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.658 14.651 -4.286 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.860 16.273 -4.241 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.238 14.609 -4.134 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.126 15.504 -5.668 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.671 16.726 -5.595 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.917 15.848 -6.946 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.567 15.431 -6.425 1.00 0.00 H new ATOM 526 N SER A 34 -9.698 11.934 -4.247 1.00 0.00 N ATOM 527 CA SER A 34 -8.927 11.091 -3.446 1.00 0.00 C ATOM 528 C SER A 34 -8.572 9.769 -4.191 1.00 0.00 C ATOM 529 O SER A 34 -7.797 8.951 -3.707 1.00 0.00 O ATOM 530 CB SER A 34 -9.587 10.836 -2.104 1.00 0.00 C ATOM 531 OG SER A 34 -9.871 12.065 -1.435 1.00 0.00 O ATOM 0 H SER A 34 -10.686 11.996 -4.003 1.00 0.00 H new ATOM 0 HA SER A 34 -7.986 11.601 -3.239 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.510 10.274 -2.249 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.934 10.222 -1.484 1.00 0.00 H new ATOM 0 HG SER A 34 -10.768 12.373 -1.683 1.00 0.00 H new ATOM 537 N LEU A 35 -9.187 9.559 -5.344 1.00 0.00 N ATOM 538 CA LEU A 35 -8.851 8.439 -6.185 1.00 0.00 C ATOM 539 C LEU A 35 -7.750 8.864 -7.169 1.00 0.00 C ATOM 540 O LEU A 35 -6.708 8.180 -7.316 1.00 0.00 O ATOM 541 CB LEU A 35 -10.093 7.958 -6.948 1.00 0.00 C ATOM 542 CG LEU A 35 -11.295 7.529 -6.096 1.00 0.00 C ATOM 543 CD1 LEU A 35 -12.465 7.134 -6.981 1.00 0.00 C ATOM 544 CD2 LEU A 35 -10.922 6.383 -5.168 1.00 0.00 C ATOM 0 H LEU A 35 -9.925 10.158 -5.714 1.00 0.00 H new ATOM 0 HA LEU A 35 -8.489 7.615 -5.570 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -10.415 8.758 -7.615 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.803 7.116 -7.577 1.00 0.00 H new ATOM 0 HG LEU A 35 -11.595 8.380 -5.484 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -13.307 6.833 -6.358 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.756 7.983 -7.599 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -12.172 6.302 -7.622 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -11.791 6.097 -4.575 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -10.590 5.530 -5.759 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -10.118 6.700 -4.504 1.00 0.00 H new ATOM 556 N LYS A 36 -7.982 10.009 -7.825 1.00 0.00 N ATOM 557 CA LYS A 36 -7.076 10.575 -8.804 1.00 0.00 C ATOM 558 C LYS A 36 -5.764 11.043 -8.199 1.00 0.00 C ATOM 559 O LYS A 36 -4.680 10.654 -8.622 1.00 0.00 O ATOM 560 CB LYS A 36 -7.731 11.752 -9.455 1.00 0.00 C ATOM 561 CG LYS A 36 -8.779 11.406 -10.479 1.00 0.00 C ATOM 562 CD LYS A 36 -9.645 12.592 -10.648 1.00 0.00 C ATOM 563 CE LYS A 36 -10.808 12.372 -11.611 1.00 0.00 C ATOM 564 NZ LYS A 36 -10.393 12.299 -13.032 1.00 0.00 N ATOM 0 H LYS A 36 -8.822 10.569 -7.680 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.853 9.785 -9.521 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.189 12.369 -8.682 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.962 12.359 -9.933 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.314 11.133 -11.426 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.365 10.547 -10.152 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.041 12.883 -9.675 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.040 13.424 -11.008 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.322 11.449 -11.343 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.527 13.183 -11.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.888 11.512 -13.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.633 13.191 -13.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.366 12.142 -13.086 1.00 0.00 H new ATOM 578 N LEU A 37 -5.881 11.840 -7.169 1.00 0.00 N ATOM 579 CA LEU A 37 -4.752 12.506 -6.550 1.00 0.00 C ATOM 580 C LEU A 37 -4.049 11.589 -5.553 1.00 0.00 C ATOM 581 O LEU A 37 -3.138 11.996 -4.838 1.00 0.00 O ATOM 582 CB LEU A 37 -5.236 13.828 -5.905 1.00 0.00 C ATOM 583 CG LEU A 37 -4.210 14.719 -5.268 1.00 0.00 C ATOM 584 CD1 LEU A 37 -3.476 15.488 -6.299 1.00 0.00 C ATOM 585 CD2 LEU A 37 -4.812 15.614 -4.203 1.00 0.00 C ATOM 0 H LEU A 37 -6.775 12.051 -6.726 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.008 12.750 -7.308 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.749 14.406 -6.674 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.978 13.577 -5.146 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.489 14.084 -4.753 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.737 16.128 -5.818 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.973 14.799 -6.977 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.178 16.104 -6.862 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.032 16.240 -3.771 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.579 16.246 -4.650 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.259 15.000 -3.421 1.00 0.00 H new ATOM 597 N ASN A 38 -4.453 10.348 -5.527 1.00 0.00 N ATOM 598 CA ASN A 38 -3.804 9.412 -4.666 1.00 0.00 C ATOM 599 C ASN A 38 -2.830 8.559 -5.464 1.00 0.00 C ATOM 600 O ASN A 38 -1.610 8.678 -5.287 1.00 0.00 O ATOM 601 CB ASN A 38 -4.795 8.513 -3.933 1.00 0.00 C ATOM 602 CG ASN A 38 -4.118 7.549 -2.961 1.00 0.00 C ATOM 603 OD1 ASN A 38 -3.101 7.855 -2.354 1.00 0.00 O ATOM 604 ND2 ASN A 38 -4.664 6.373 -2.829 1.00 0.00 N ATOM 0 H ASN A 38 -5.218 9.970 -6.086 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.265 9.987 -3.913 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.505 9.134 -3.386 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.368 7.942 -4.663 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.243 5.682 -2.208 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.512 6.144 -3.347 1.00 0.00 H new ATOM 611 N ASP A 39 -3.373 7.717 -6.383 1.00 0.00 N ATOM 612 CA ASP A 39 -2.523 6.773 -7.147 1.00 0.00 C ATOM 613 C ASP A 39 -3.304 5.886 -8.141 1.00 0.00 C ATOM 614 O ASP A 39 -2.701 5.315 -9.045 1.00 0.00 O ATOM 615 CB ASP A 39 -1.736 5.859 -6.171 1.00 0.00 C ATOM 616 CG ASP A 39 -0.788 4.880 -6.840 1.00 0.00 C ATOM 617 OD1 ASP A 39 -1.066 3.667 -6.817 1.00 0.00 O ATOM 618 OD2 ASP A 39 0.274 5.297 -7.359 1.00 0.00 O ATOM 0 H ASP A 39 -4.367 7.674 -6.607 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.849 7.394 -7.737 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.164 6.487 -5.488 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.449 5.298 -5.567 1.00 0.00 H new ATOM 623 N LYS A 40 -4.640 5.782 -8.032 1.00 0.00 N ATOM 624 CA LYS A 40 -5.332 4.825 -8.846 1.00 0.00 C ATOM 625 C LYS A 40 -5.611 5.379 -10.170 1.00 0.00 C ATOM 626 O LYS A 40 -5.533 4.680 -11.184 1.00 0.00 O ATOM 627 CB LYS A 40 -6.665 4.447 -8.263 1.00 0.00 C ATOM 628 CG LYS A 40 -6.662 4.010 -6.805 1.00 0.00 C ATOM 629 CD LYS A 40 -8.035 3.480 -6.389 1.00 0.00 C ATOM 630 CE LYS A 40 -8.399 2.201 -7.141 1.00 0.00 C ATOM 631 NZ LYS A 40 -9.767 1.743 -6.838 1.00 0.00 N ATOM 0 H LYS A 40 -5.225 6.336 -7.407 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.679 3.954 -8.901 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.337 5.299 -8.364 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.084 3.638 -8.862 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.909 3.236 -6.655 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.385 4.852 -6.170 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.040 3.285 -5.317 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.792 4.241 -6.579 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.305 2.374 -8.213 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.689 1.415 -6.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.968 0.873 -7.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.851 1.552 -5.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.448 2.480 -7.110 1.00 0.00 H new ATOM 645 N VAL A 41 -5.964 6.623 -10.190 1.00 0.00 N ATOM 646 CA VAL A 41 -6.427 7.157 -11.387 1.00 0.00 C ATOM 647 C VAL A 41 -5.636 8.346 -11.698 1.00 0.00 C ATOM 648 O VAL A 41 -5.349 9.152 -10.846 1.00 0.00 O ATOM 649 CB VAL A 41 -7.901 7.544 -11.330 1.00 0.00 C ATOM 650 CG1 VAL A 41 -8.545 6.976 -12.508 1.00 0.00 C ATOM 651 CG2 VAL A 41 -8.568 7.038 -10.115 1.00 0.00 C ATOM 0 H VAL A 41 -5.935 7.263 -9.396 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.324 6.391 -12.156 1.00 0.00 H new ATOM 0 HB VAL A 41 -7.981 8.631 -11.306 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -9.604 7.232 -12.503 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.079 7.379 -13.407 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.434 5.892 -12.496 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.615 7.340 -10.122 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.504 5.950 -10.091 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.078 7.449 -9.233 1.00 0.00 H new ATOM 661 N THR A 42 -5.293 8.439 -12.879 1.00 0.00 N ATOM 662 CA THR A 42 -4.474 9.485 -13.344 1.00 0.00 C ATOM 663 C THR A 42 -5.334 10.525 -14.065 1.00 0.00 C ATOM 664 O THR A 42 -6.483 10.252 -14.449 1.00 0.00 O ATOM 665 CB THR A 42 -3.404 8.890 -14.254 1.00 0.00 C ATOM 666 OG1 THR A 42 -2.889 7.720 -13.592 1.00 0.00 O ATOM 667 CG2 THR A 42 -2.254 9.852 -14.455 1.00 0.00 C ATOM 0 H THR A 42 -5.571 7.775 -13.602 1.00 0.00 H new ATOM 0 HA THR A 42 -3.978 9.993 -12.517 1.00 0.00 H new ATOM 0 HB THR A 42 -3.843 8.665 -15.226 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.197 7.307 -14.149 1.00 0.00 H new ATOM 0 HG21 THR A 42 -1.509 9.397 -15.108 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.624 10.771 -14.910 1.00 0.00 H new ATOM 0 HG23 THR A 42 -1.799 10.082 -13.491 1.00 0.00 H new ATOM 675 N TRP A 43 -4.790 11.683 -14.220 1.00 0.00 N ATOM 676 CA TRP A 43 -5.470 12.809 -14.792 1.00 0.00 C ATOM 677 C TRP A 43 -5.363 12.790 -16.300 1.00 0.00 C ATOM 678 O TRP A 43 -4.369 12.300 -16.859 1.00 0.00 O ATOM 679 CB TRP A 43 -4.831 14.105 -14.280 1.00 0.00 C ATOM 680 CG TRP A 43 -4.933 14.332 -12.805 1.00 0.00 C ATOM 681 CD1 TRP A 43 -5.889 15.047 -12.146 1.00 0.00 C ATOM 682 CD2 TRP A 43 -4.026 13.859 -11.807 1.00 0.00 C ATOM 683 NE1 TRP A 43 -5.627 15.048 -10.798 1.00 0.00 N ATOM 684 CE2 TRP A 43 -4.490 14.325 -10.564 1.00 0.00 C ATOM 685 CE3 TRP A 43 -2.868 13.085 -11.848 1.00 0.00 C ATOM 686 CZ2 TRP A 43 -3.831 14.041 -9.375 1.00 0.00 C ATOM 687 CZ3 TRP A 43 -2.220 12.805 -10.673 1.00 0.00 C ATOM 688 CH2 TRP A 43 -2.701 13.282 -9.451 1.00 0.00 C ATOM 0 H TRP A 43 -3.829 11.885 -13.945 1.00 0.00 H new ATOM 0 HA TRP A 43 -6.520 12.757 -14.503 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.777 14.105 -14.558 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -5.296 14.947 -14.793 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.728 15.540 -12.615 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.190 15.513 -10.086 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.488 12.713 -12.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -4.199 14.407 -8.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.322 12.205 -10.692 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -2.165 13.044 -8.544 1.00 0.00 H new ATOM 699 N LYS A 44 -6.386 13.286 -16.948 1.00 0.00 N ATOM 700 CA LYS A 44 -6.355 13.518 -18.365 1.00 0.00 C ATOM 701 C LYS A 44 -5.514 14.782 -18.526 1.00 0.00 C ATOM 702 O LYS A 44 -5.439 15.574 -17.584 1.00 0.00 O ATOM 703 CB LYS A 44 -7.798 13.786 -18.857 1.00 0.00 C ATOM 704 CG LYS A 44 -8.128 13.337 -20.296 1.00 0.00 C ATOM 705 CD LYS A 44 -7.483 14.207 -21.369 1.00 0.00 C ATOM 706 CE LYS A 44 -7.798 13.699 -22.778 1.00 0.00 C ATOM 707 NZ LYS A 44 -7.148 14.523 -23.823 1.00 0.00 N ATOM 0 H LYS A 44 -7.268 13.541 -16.503 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.951 12.677 -18.929 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.489 13.287 -18.177 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.992 14.856 -18.780 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.800 12.306 -20.430 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.209 13.348 -20.432 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.836 15.233 -21.265 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.403 14.225 -21.222 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.466 12.665 -22.873 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.877 13.703 -22.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.414 14.166 -24.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.457 15.511 -23.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.115 14.471 -23.713 1.00 0.00 H new ATOM 721 N ASP A 45 -4.874 14.966 -19.663 1.00 0.00 N ATOM 722 CA ASP A 45 -4.087 16.196 -19.930 1.00 0.00 C ATOM 723 C ASP A 45 -4.870 17.468 -19.614 1.00 0.00 C ATOM 724 O ASP A 45 -4.324 18.406 -19.046 1.00 0.00 O ATOM 725 CB ASP A 45 -3.528 16.244 -21.369 1.00 0.00 C ATOM 726 CG ASP A 45 -4.586 16.082 -22.443 1.00 0.00 C ATOM 727 OD1 ASP A 45 -4.667 14.991 -23.043 1.00 0.00 O ATOM 728 OD2 ASP A 45 -5.364 16.998 -22.691 1.00 0.00 O ATOM 0 H ASP A 45 -4.871 14.292 -20.428 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.237 16.152 -19.250 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.015 17.194 -21.518 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.782 15.458 -21.485 1.00 0.00 H new ATOM 733 N ASP A 46 -6.161 17.453 -19.907 1.00 0.00 N ATOM 734 CA ASP A 46 -7.038 18.590 -19.634 1.00 0.00 C ATOM 735 C ASP A 46 -7.148 18.848 -18.146 1.00 0.00 C ATOM 736 O ASP A 46 -7.158 19.992 -17.709 1.00 0.00 O ATOM 737 CB ASP A 46 -8.427 18.351 -20.214 1.00 0.00 C ATOM 738 CG ASP A 46 -9.403 19.464 -19.874 1.00 0.00 C ATOM 739 OD1 ASP A 46 -9.374 20.515 -20.538 1.00 0.00 O ATOM 740 OD2 ASP A 46 -10.264 19.276 -18.983 1.00 0.00 O ATOM 0 H ASP A 46 -6.632 16.658 -20.339 1.00 0.00 H new ATOM 0 HA ASP A 46 -6.598 19.466 -20.110 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.353 18.257 -21.297 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.816 17.405 -19.838 1.00 0.00 H new ATOM 745 N GLU A 47 -7.138 17.779 -17.370 1.00 0.00 N ATOM 746 CA GLU A 47 -7.299 17.883 -15.934 1.00 0.00 C ATOM 747 C GLU A 47 -6.017 18.431 -15.340 1.00 0.00 C ATOM 748 O GLU A 47 -6.034 19.204 -14.382 1.00 0.00 O ATOM 749 CB GLU A 47 -7.618 16.524 -15.313 1.00 0.00 C ATOM 750 CG GLU A 47 -8.819 15.812 -15.905 1.00 0.00 C ATOM 751 CD GLU A 47 -9.187 14.589 -15.117 1.00 0.00 C ATOM 752 OE1 GLU A 47 -8.599 13.519 -15.344 1.00 0.00 O ATOM 753 OE2 GLU A 47 -10.080 14.676 -14.243 1.00 0.00 O ATOM 0 H GLU A 47 -7.019 16.826 -17.714 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.133 18.551 -15.719 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.745 15.880 -15.418 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.786 16.661 -14.245 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.668 16.495 -15.934 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.602 15.529 -16.935 1.00 0.00 H new ATOM 760 N ILE A 48 -4.908 18.041 -15.946 1.00 0.00 N ATOM 761 CA ILE A 48 -3.604 18.525 -15.557 1.00 0.00 C ATOM 762 C ILE A 48 -3.535 20.028 -15.813 1.00 0.00 C ATOM 763 O ILE A 48 -3.123 20.785 -14.947 1.00 0.00 O ATOM 764 CB ILE A 48 -2.472 17.784 -16.332 1.00 0.00 C ATOM 765 CG1 ILE A 48 -2.548 16.276 -16.043 1.00 0.00 C ATOM 766 CG2 ILE A 48 -1.095 18.338 -15.957 1.00 0.00 C ATOM 767 CD1 ILE A 48 -1.542 15.430 -16.800 1.00 0.00 C ATOM 0 H ILE A 48 -4.892 17.379 -16.722 1.00 0.00 H new ATOM 0 HA ILE A 48 -3.454 18.327 -14.496 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.614 17.949 -17.400 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.403 16.118 -14.974 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.551 15.925 -16.284 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.324 17.803 -16.512 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.050 19.399 -16.204 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.929 18.207 -14.888 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.672 14.382 -16.531 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.698 15.552 -17.872 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.532 15.748 -16.542 1.00 0.00 H new ATOM 779 N LEU A 49 -3.999 20.448 -16.991 1.00 0.00 N ATOM 780 CA LEU A 49 -4.046 21.822 -17.379 1.00 0.00 C ATOM 781 C LEU A 49 -4.905 22.647 -16.415 1.00 0.00 C ATOM 782 O LEU A 49 -4.584 23.803 -16.120 1.00 0.00 O ATOM 783 CB LEU A 49 -4.593 21.903 -18.786 1.00 0.00 C ATOM 784 CG LEU A 49 -3.741 21.271 -19.891 1.00 0.00 C ATOM 785 CD1 LEU A 49 -4.452 21.366 -21.228 1.00 0.00 C ATOM 786 CD2 LEU A 49 -2.365 21.927 -19.972 1.00 0.00 C ATOM 0 H LEU A 49 -4.356 19.812 -17.704 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.040 22.240 -17.345 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.574 21.427 -18.798 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.745 22.954 -19.032 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.598 20.219 -19.644 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.833 20.912 -22.002 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.405 20.841 -21.171 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.629 22.413 -21.472 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.784 21.457 -20.765 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.480 22.989 -20.187 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.847 21.804 -19.021 1.00 0.00 H new ATOM 798 N LYS A 50 -5.990 22.048 -15.919 1.00 0.00 N ATOM 799 CA LYS A 50 -6.828 22.683 -14.935 1.00 0.00 C ATOM 800 C LYS A 50 -6.017 22.970 -13.678 1.00 0.00 C ATOM 801 O LYS A 50 -6.010 24.095 -13.178 1.00 0.00 O ATOM 802 CB LYS A 50 -7.993 21.791 -14.572 1.00 0.00 C ATOM 803 CG LYS A 50 -8.965 21.372 -15.690 1.00 0.00 C ATOM 804 CD LYS A 50 -9.837 22.501 -16.263 1.00 0.00 C ATOM 805 CE LYS A 50 -9.114 23.393 -17.272 1.00 0.00 C ATOM 806 NZ LYS A 50 -10.014 24.420 -17.819 1.00 0.00 N ATOM 0 H LYS A 50 -6.299 21.116 -16.194 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.207 23.614 -15.357 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.590 20.883 -14.124 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.572 22.298 -13.800 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.388 20.933 -16.504 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.620 20.590 -15.305 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.712 22.063 -16.743 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.200 23.119 -15.442 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.261 23.872 -16.791 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.720 22.782 -18.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.495 25.009 -18.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.815 23.960 -18.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.370 25.017 -17.046 1.00 0.00 H new ATOM 820 N ALA A 51 -5.297 21.954 -13.210 1.00 0.00 N ATOM 821 CA ALA A 51 -4.478 22.059 -12.010 1.00 0.00 C ATOM 822 C ALA A 51 -3.368 23.088 -12.192 1.00 0.00 C ATOM 823 O ALA A 51 -3.182 23.955 -11.348 1.00 0.00 O ATOM 824 CB ALA A 51 -3.897 20.700 -11.637 1.00 0.00 C ATOM 0 H ALA A 51 -5.266 21.036 -13.653 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.117 22.396 -11.194 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.288 20.799 -10.738 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -4.708 19.996 -11.450 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.278 20.332 -12.455 1.00 0.00 H new ATOM 830 N VAL A 52 -2.677 23.012 -13.321 1.00 0.00 N ATOM 831 CA VAL A 52 -1.582 23.934 -13.672 1.00 0.00 C ATOM 832 C VAL A 52 -2.040 25.393 -13.608 1.00 0.00 C ATOM 833 O VAL A 52 -1.315 26.257 -13.136 1.00 0.00 O ATOM 834 CB VAL A 52 -1.027 23.617 -15.104 1.00 0.00 C ATOM 835 CG1 VAL A 52 0.015 24.629 -15.556 1.00 0.00 C ATOM 836 CG2 VAL A 52 -0.418 22.230 -15.137 1.00 0.00 C ATOM 0 H VAL A 52 -2.855 22.304 -14.033 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.787 23.789 -12.941 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.873 23.672 -15.790 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.369 24.366 -16.553 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.430 25.624 -15.579 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.854 24.623 -14.860 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.037 22.024 -16.137 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.400 22.175 -14.418 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.178 21.493 -14.879 1.00 0.00 H new ATOM 846 N HIS A 53 -3.257 25.634 -14.014 1.00 0.00 N ATOM 847 CA HIS A 53 -3.792 26.981 -14.092 1.00 0.00 C ATOM 848 C HIS A 53 -4.237 27.489 -12.717 1.00 0.00 C ATOM 849 O HIS A 53 -4.219 28.685 -12.451 1.00 0.00 O ATOM 850 CB HIS A 53 -4.974 26.972 -15.038 1.00 0.00 C ATOM 851 CG HIS A 53 -5.345 28.318 -15.581 1.00 0.00 C ATOM 852 ND1 HIS A 53 -6.633 28.777 -15.638 1.00 0.00 N ATOM 853 CD2 HIS A 53 -4.587 29.277 -16.149 1.00 0.00 C ATOM 854 CE1 HIS A 53 -6.649 29.955 -16.217 1.00 0.00 C ATOM 855 NE2 HIS A 53 -5.425 30.278 -16.535 1.00 0.00 N ATOM 0 H HIS A 53 -3.912 24.907 -14.302 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.012 27.650 -14.455 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -4.751 26.307 -15.872 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -5.836 26.554 -14.518 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -3.515 29.255 -16.275 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -7.528 30.556 -16.400 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -5.142 31.142 -16.998 1.00 0.00 H new ATOM 863 N VAL A 54 -4.597 26.581 -11.853 1.00 0.00 N ATOM 864 CA VAL A 54 -5.124 26.940 -10.538 1.00 0.00 C ATOM 865 C VAL A 54 -3.997 27.059 -9.544 1.00 0.00 C ATOM 866 O VAL A 54 -3.839 28.072 -8.858 1.00 0.00 O ATOM 867 CB VAL A 54 -6.161 25.888 -10.028 1.00 0.00 C ATOM 868 CG1 VAL A 54 -6.599 26.186 -8.600 1.00 0.00 C ATOM 869 CG2 VAL A 54 -7.376 25.849 -10.937 1.00 0.00 C ATOM 0 H VAL A 54 -4.540 25.577 -12.024 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.632 27.899 -10.636 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.671 24.914 -10.042 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.320 25.435 -8.276 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.731 26.163 -7.941 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.060 27.173 -8.559 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.086 25.110 -10.564 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.849 26.831 -10.954 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.067 25.578 -11.946 1.00 0.00 H new ATOM 879 N LEU A 55 -3.222 26.021 -9.486 1.00 0.00 N ATOM 880 CA LEU A 55 -2.124 25.885 -8.622 1.00 0.00 C ATOM 881 C LEU A 55 -0.954 26.761 -9.057 1.00 0.00 C ATOM 882 O LEU A 55 -0.039 27.031 -8.260 1.00 0.00 O ATOM 883 CB LEU A 55 -1.758 24.431 -8.673 1.00 0.00 C ATOM 884 CG LEU A 55 -2.625 23.428 -7.884 1.00 0.00 C ATOM 885 CD1 LEU A 55 -2.410 23.552 -6.402 1.00 0.00 C ATOM 886 CD2 LEU A 55 -4.118 23.515 -8.189 1.00 0.00 C ATOM 0 H LEU A 55 -3.360 25.205 -10.082 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.372 26.207 -7.611 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.764 24.124 -9.719 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.732 24.334 -8.318 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.287 22.450 -8.225 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.038 22.829 -5.881 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.363 23.357 -6.169 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.672 24.560 -6.079 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.655 22.777 -7.593 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.482 24.513 -7.944 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.285 23.317 -9.248 1.00 0.00 H new ATOM 898 N GLU A 56 -1.015 27.209 -10.313 1.00 0.00 N ATOM 899 CA GLU A 56 -0.023 28.077 -10.937 1.00 0.00 C ATOM 900 C GLU A 56 1.288 27.338 -11.124 1.00 0.00 C ATOM 901 O GLU A 56 2.252 27.504 -10.360 1.00 0.00 O ATOM 902 CB GLU A 56 0.147 29.383 -10.164 1.00 0.00 C ATOM 903 CG GLU A 56 -1.143 30.174 -10.040 1.00 0.00 C ATOM 904 CD GLU A 56 -1.033 31.280 -9.045 1.00 0.00 C ATOM 905 OE1 GLU A 56 -1.314 31.035 -7.844 1.00 0.00 O ATOM 906 OE2 GLU A 56 -0.649 32.404 -9.418 1.00 0.00 O ATOM 0 H GLU A 56 -1.782 26.968 -10.941 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.384 28.355 -11.927 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.527 29.161 -9.167 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.897 29.998 -10.662 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.408 30.588 -11.013 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.951 29.504 -9.748 1.00 0.00 H new ATOM 913 N LEU A 57 1.293 26.474 -12.101 1.00 0.00 N ATOM 914 CA LEU A 57 2.429 25.641 -12.385 1.00 0.00 C ATOM 915 C LEU A 57 2.928 25.898 -13.786 1.00 0.00 C ATOM 916 O LEU A 57 2.337 26.672 -14.526 1.00 0.00 O ATOM 917 CB LEU A 57 2.074 24.178 -12.218 1.00 0.00 C ATOM 918 CG LEU A 57 1.506 23.747 -10.852 1.00 0.00 C ATOM 919 CD1 LEU A 57 1.169 22.264 -10.857 1.00 0.00 C ATOM 920 CD2 LEU A 57 2.484 24.063 -9.725 1.00 0.00 C ATOM 0 H LEU A 57 0.502 26.327 -12.728 1.00 0.00 H new ATOM 0 HA LEU A 57 3.221 25.887 -11.677 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.345 23.917 -12.985 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.969 23.588 -12.414 1.00 0.00 H new ATOM 0 HG LEU A 57 0.591 24.314 -10.677 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.769 21.978 -9.884 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.425 22.062 -11.628 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.070 21.687 -11.063 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.056 23.748 -8.773 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.420 23.531 -9.896 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.675 25.136 -9.699 1.00 0.00 H new ATOM 932 N ASN A 58 4.004 25.277 -14.140 1.00 0.00 N ATOM 933 CA ASN A 58 4.589 25.428 -15.452 1.00 0.00 C ATOM 934 C ASN A 58 4.825 24.026 -16.029 1.00 0.00 C ATOM 935 O ASN A 58 4.943 23.085 -15.261 1.00 0.00 O ATOM 936 CB ASN A 58 5.899 26.256 -15.315 1.00 0.00 C ATOM 937 CG ASN A 58 6.615 26.494 -16.622 1.00 0.00 C ATOM 938 OD1 ASN A 58 6.277 27.409 -17.369 1.00 0.00 O ATOM 939 ND2 ASN A 58 7.652 25.751 -16.870 1.00 0.00 N ATOM 0 H ASN A 58 4.515 24.641 -13.528 1.00 0.00 H new ATOM 0 HA ASN A 58 3.935 25.966 -16.138 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.662 27.219 -14.862 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.573 25.739 -14.632 1.00 0.00 H new ATOM 0 HD21 ASN A 58 8.212 25.920 -17.705 1.00 0.00 H new ATOM 0 HD22 ASN A 58 7.906 24.999 -16.229 1.00 0.00 H new ATOM 946 N PRO A 59 4.836 23.837 -17.380 1.00 0.00 N ATOM 947 CA PRO A 59 5.069 22.522 -18.016 1.00 0.00 C ATOM 948 C PRO A 59 6.328 21.798 -17.502 1.00 0.00 C ATOM 949 O PRO A 59 6.392 20.575 -17.502 1.00 0.00 O ATOM 950 CB PRO A 59 5.213 22.842 -19.515 1.00 0.00 C ATOM 951 CG PRO A 59 5.263 24.330 -19.609 1.00 0.00 C ATOM 952 CD PRO A 59 4.566 24.857 -18.393 1.00 0.00 C ATOM 0 HA PRO A 59 4.250 21.840 -17.788 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.118 22.393 -19.926 1.00 0.00 H new ATOM 0 HB3 PRO A 59 4.373 22.442 -20.083 1.00 0.00 H new ATOM 0 HG2 PRO A 59 6.294 24.682 -19.648 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.773 24.678 -20.518 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.956 25.831 -18.097 1.00 0.00 H new ATOM 0 HD3 PRO A 59 3.497 24.980 -18.564 1.00 0.00 H new ATOM 960 N GLN A 60 7.299 22.547 -17.020 1.00 0.00 N ATOM 961 CA GLN A 60 8.527 21.930 -16.523 1.00 0.00 C ATOM 962 C GLN A 60 8.419 21.591 -15.041 1.00 0.00 C ATOM 963 O GLN A 60 9.331 21.016 -14.438 1.00 0.00 O ATOM 964 CB GLN A 60 9.736 22.790 -16.793 1.00 0.00 C ATOM 965 CG GLN A 60 9.918 23.127 -18.238 1.00 0.00 C ATOM 966 CD GLN A 60 11.219 23.844 -18.491 1.00 0.00 C ATOM 967 OE1 GLN A 60 11.291 25.070 -18.410 1.00 0.00 O ATOM 968 NE2 GLN A 60 12.241 23.110 -18.825 1.00 0.00 N ATOM 0 H GLN A 60 7.271 23.565 -16.959 1.00 0.00 H new ATOM 0 HA GLN A 60 8.660 20.998 -17.072 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.650 23.714 -16.221 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.626 22.274 -16.434 1.00 0.00 H new ATOM 0 HG2 GLN A 60 9.887 22.212 -18.830 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.089 23.751 -18.572 1.00 0.00 H new ATOM 0 HE21 GLN A 60 12.144 22.096 -18.882 1.00 0.00 H new ATOM 0 HE22 GLN A 60 13.139 23.549 -19.030 1.00 0.00 H new ATOM 977 N ASP A 61 7.321 21.971 -14.445 1.00 0.00 N ATOM 978 CA ASP A 61 7.032 21.663 -13.107 1.00 0.00 C ATOM 979 C ASP A 61 6.275 20.383 -13.030 1.00 0.00 C ATOM 980 O ASP A 61 6.231 19.754 -12.001 1.00 0.00 O ATOM 981 CB ASP A 61 6.223 22.758 -12.511 1.00 0.00 C ATOM 982 CG ASP A 61 7.044 23.909 -12.074 1.00 0.00 C ATOM 983 OD1 ASP A 61 6.831 25.011 -12.585 1.00 0.00 O ATOM 984 OD2 ASP A 61 7.979 23.718 -11.277 1.00 0.00 O ATOM 0 H ASP A 61 6.595 22.518 -14.907 1.00 0.00 H new ATOM 0 HA ASP A 61 7.966 21.556 -12.555 1.00 0.00 H new ATOM 0 HB2 ASP A 61 5.488 23.099 -13.241 1.00 0.00 H new ATOM 0 HB3 ASP A 61 5.668 22.369 -11.657 1.00 0.00 H new ATOM 989 N ILE A 62 5.718 19.984 -14.156 1.00 0.00 N ATOM 990 CA ILE A 62 4.941 18.759 -14.263 1.00 0.00 C ATOM 991 C ILE A 62 5.653 17.508 -13.652 1.00 0.00 C ATOM 992 O ILE A 62 5.029 16.793 -12.858 1.00 0.00 O ATOM 993 CB ILE A 62 4.482 18.492 -15.721 1.00 0.00 C ATOM 994 CG1 ILE A 62 3.629 19.672 -16.226 1.00 0.00 C ATOM 995 CG2 ILE A 62 3.695 17.179 -15.829 1.00 0.00 C ATOM 996 CD1 ILE A 62 2.414 19.991 -15.376 1.00 0.00 C ATOM 0 H ILE A 62 5.791 20.503 -15.031 1.00 0.00 H new ATOM 0 HA ILE A 62 4.052 18.925 -13.654 1.00 0.00 H new ATOM 0 HB ILE A 62 5.370 18.397 -16.345 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.259 20.560 -16.281 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.297 19.453 -17.241 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.389 17.023 -16.863 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.325 16.350 -15.508 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.812 17.231 -15.193 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.877 20.835 -15.810 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.757 19.122 -15.340 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.734 20.246 -14.366 1.00 0.00 H new ATOM 1008 N PRO A 63 6.984 17.249 -13.927 1.00 0.00 N ATOM 1009 CA PRO A 63 7.653 16.078 -13.368 1.00 0.00 C ATOM 1010 C PRO A 63 7.937 16.223 -11.888 1.00 0.00 C ATOM 1011 O PRO A 63 8.200 15.253 -11.202 1.00 0.00 O ATOM 1012 CB PRO A 63 8.947 15.985 -14.150 1.00 0.00 C ATOM 1013 CG PRO A 63 9.246 17.370 -14.583 1.00 0.00 C ATOM 1014 CD PRO A 63 7.919 18.044 -14.772 1.00 0.00 C ATOM 0 HA PRO A 63 7.031 15.187 -13.452 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.751 15.584 -13.533 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.841 15.320 -15.007 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.845 17.891 -13.836 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.820 17.373 -15.510 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.953 19.087 -14.456 1.00 0.00 H new ATOM 0 HD3 PRO A 63 7.614 18.038 -15.818 1.00 0.00 H new ATOM 1022 N LYS A 64 7.844 17.440 -11.409 1.00 0.00 N ATOM 1023 CA LYS A 64 8.090 17.739 -10.015 1.00 0.00 C ATOM 1024 C LYS A 64 6.825 17.478 -9.191 1.00 0.00 C ATOM 1025 O LYS A 64 6.856 17.521 -7.951 1.00 0.00 O ATOM 1026 CB LYS A 64 8.472 19.214 -9.799 1.00 0.00 C ATOM 1027 CG LYS A 64 9.481 19.837 -10.763 1.00 0.00 C ATOM 1028 CD LYS A 64 10.014 21.140 -10.143 1.00 0.00 C ATOM 1029 CE LYS A 64 10.939 21.939 -11.061 1.00 0.00 C ATOM 1030 NZ LYS A 64 10.220 22.563 -12.192 1.00 0.00 N ATOM 0 H LYS A 64 7.596 18.253 -11.973 1.00 0.00 H new ATOM 0 HA LYS A 64 8.914 17.098 -9.701 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.558 19.806 -9.842 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.869 19.313 -8.789 1.00 0.00 H new ATOM 0 HG2 LYS A 64 10.301 19.145 -10.951 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.009 20.041 -11.724 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.168 21.768 -9.862 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.551 20.899 -9.225 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.438 22.715 -10.481 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.716 21.281 -11.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.818 23.298 -12.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.998 21.839 -12.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.337 22.992 -11.848 1.00 0.00 H new ATOM 1044 N TYR A 65 5.703 17.259 -9.867 1.00 0.00 N ATOM 1045 CA TYR A 65 4.454 17.099 -9.194 1.00 0.00 C ATOM 1046 C TYR A 65 3.730 15.818 -9.563 1.00 0.00 C ATOM 1047 O TYR A 65 3.437 14.997 -8.697 1.00 0.00 O ATOM 1048 CB TYR A 65 3.569 18.308 -9.478 1.00 0.00 C ATOM 1049 CG TYR A 65 4.105 19.581 -8.881 1.00 0.00 C ATOM 1050 CD1 TYR A 65 4.638 20.585 -9.666 1.00 0.00 C ATOM 1051 CD2 TYR A 65 4.123 19.744 -7.527 1.00 0.00 C ATOM 1052 CE1 TYR A 65 5.179 21.720 -9.100 1.00 0.00 C ATOM 1053 CE2 TYR A 65 4.647 20.875 -6.949 1.00 0.00 C ATOM 1054 CZ TYR A 65 5.177 21.857 -7.742 1.00 0.00 C ATOM 1055 OH TYR A 65 5.728 22.971 -7.169 1.00 0.00 O ATOM 0 H TYR A 65 5.650 17.191 -10.883 1.00 0.00 H new ATOM 0 HA TYR A 65 4.670 17.027 -8.128 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.469 18.433 -10.556 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.570 18.121 -9.084 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.631 20.479 -10.741 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.717 18.968 -6.896 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.600 22.493 -9.725 1.00 0.00 H new ATOM 0 HE2 TYR A 65 4.641 20.989 -5.875 1.00 0.00 H new ATOM 0 HH TYR A 65 5.857 23.661 -7.853 1.00 0.00 H new ATOM 1065 N PHE A 66 3.492 15.625 -10.844 1.00 0.00 N ATOM 1066 CA PHE A 66 2.639 14.540 -11.322 1.00 0.00 C ATOM 1067 C PHE A 66 3.377 13.219 -11.494 1.00 0.00 C ATOM 1068 O PHE A 66 2.794 12.219 -11.941 1.00 0.00 O ATOM 1069 CB PHE A 66 1.919 14.944 -12.614 1.00 0.00 C ATOM 1070 CG PHE A 66 0.963 16.098 -12.434 1.00 0.00 C ATOM 1071 CD1 PHE A 66 -0.358 15.870 -12.082 1.00 0.00 C ATOM 1072 CD2 PHE A 66 1.386 17.408 -12.609 1.00 0.00 C ATOM 1073 CE1 PHE A 66 -1.239 16.921 -11.907 1.00 0.00 C ATOM 1074 CE2 PHE A 66 0.510 18.463 -12.436 1.00 0.00 C ATOM 1075 CZ PHE A 66 -0.803 18.219 -12.084 1.00 0.00 C ATOM 0 H PHE A 66 3.879 16.209 -11.585 1.00 0.00 H new ATOM 0 HA PHE A 66 1.896 14.368 -10.543 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.661 15.211 -13.366 1.00 0.00 H new ATOM 0 HB3 PHE A 66 1.370 14.084 -12.999 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.704 14.857 -11.942 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.412 17.605 -12.884 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.265 16.727 -11.633 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.852 19.478 -12.576 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.488 19.043 -11.947 1.00 0.00 H new