USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=17 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 18 THR OG1 : rot -160:sc= 0.268 USER MOD Set 1.2: A 21 ASN :FLIP amide:sc= -0.551 F(o=-0.82!,f=-0.28) USER MOD Single : A 5 TYR OH : rot -39:sc= 0.788 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0231) USER MOD Single : A 13 THR OG1 : rot 75:sc= 0.681 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 160:sc= -0.362 USER MOD Single : A 19 GLN :FLIP amide:sc= 0 F(o=-0.73,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -175:sc= -1.07 (180deg=-1.1) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -168:sc= -1.84! USER MOD Single : A 34 SER OG : rot 78:sc= 1.2 USER MOD Single : A 36 LYS NZ :NH3+ 137:sc= 1.29 (180deg=0.772) USER MOD Single : A 38 ASN : amide:sc= 1.08 K(o=1.1,f=-0.34) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0687 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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) USER MOD Single : A 58 ASN : amide:sc= -0.264 K(o=-0.26,f=-5.8!) USER MOD Single : A 60 GLN : amide:sc= -0.0951 X(o=-0.095,f=-0.16) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot -167:sc= -1.28 USER MOD ----------------------------------------------------------------- ATOM 80 N TYR A 5 3.512 13.890 -2.726 1.00 0.00 N ATOM 81 CA TYR A 5 2.882 15.141 -3.019 1.00 0.00 C ATOM 82 C TYR A 5 3.156 16.187 -1.974 1.00 0.00 C ATOM 83 O TYR A 5 2.521 17.199 -1.984 1.00 0.00 O ATOM 84 CB TYR A 5 1.373 14.966 -3.223 1.00 0.00 C ATOM 85 CG TYR A 5 1.043 14.126 -4.423 1.00 0.00 C ATOM 86 CD1 TYR A 5 1.137 14.655 -5.697 1.00 0.00 C ATOM 87 CD2 TYR A 5 0.660 12.803 -4.287 1.00 0.00 C ATOM 88 CE1 TYR A 5 0.860 13.888 -6.806 1.00 0.00 C ATOM 89 CE2 TYR A 5 0.376 12.032 -5.390 1.00 0.00 C ATOM 90 CZ TYR A 5 0.479 12.575 -6.646 1.00 0.00 C ATOM 91 OH TYR A 5 0.198 11.799 -7.754 1.00 0.00 O ATOM 0 HA TYR A 5 3.322 15.497 -3.951 1.00 0.00 H new ATOM 0 HB2 TYR A 5 0.941 14.507 -2.334 1.00 0.00 H new ATOM 0 HB3 TYR A 5 0.909 15.946 -3.333 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.432 15.686 -5.824 1.00 0.00 H new ATOM 0 HD2 TYR A 5 0.583 12.370 -3.301 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.941 14.314 -7.795 1.00 0.00 H new ATOM 0 HE2 TYR A 5 0.073 11.003 -5.268 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.284 12.337 -8.416 1.00 0.00 H new ATOM 101 N SER A 6 4.156 15.985 -1.126 1.00 0.00 N ATOM 102 CA SER A 6 4.457 16.945 -0.056 1.00 0.00 C ATOM 103 C SER A 6 4.832 18.319 -0.668 1.00 0.00 C ATOM 104 O SER A 6 4.418 19.377 -0.181 1.00 0.00 O ATOM 105 CB SER A 6 5.587 16.391 0.842 1.00 0.00 C ATOM 106 OG SER A 6 5.826 17.206 1.992 1.00 0.00 O ATOM 0 H SER A 6 4.772 15.173 -1.152 1.00 0.00 H new ATOM 0 HA SER A 6 3.575 17.089 0.567 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.328 15.382 1.164 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.505 16.314 0.259 1.00 0.00 H new ATOM 0 HG SER A 6 6.547 16.813 2.527 1.00 0.00 H new ATOM 112 N SER A 7 5.526 18.277 -1.784 1.00 0.00 N ATOM 113 CA SER A 7 5.942 19.469 -2.486 1.00 0.00 C ATOM 114 C SER A 7 4.743 20.149 -3.188 1.00 0.00 C ATOM 115 O SER A 7 4.748 21.363 -3.445 1.00 0.00 O ATOM 116 CB SER A 7 7.005 19.060 -3.494 1.00 0.00 C ATOM 117 OG SER A 7 8.061 18.363 -2.819 1.00 0.00 O ATOM 0 H SER A 7 5.819 17.409 -2.232 1.00 0.00 H new ATOM 0 HA SER A 7 6.347 20.198 -1.784 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.567 18.423 -4.262 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.401 19.941 -3.999 1.00 0.00 H new ATOM 0 HG SER A 7 8.745 18.098 -3.468 1.00 0.00 H new ATOM 123 N LEU A 8 3.720 19.365 -3.463 1.00 0.00 N ATOM 124 CA LEU A 8 2.544 19.835 -4.160 1.00 0.00 C ATOM 125 C LEU A 8 1.498 20.310 -3.123 1.00 0.00 C ATOM 126 O LEU A 8 0.815 21.313 -3.325 1.00 0.00 O ATOM 127 CB LEU A 8 2.026 18.684 -5.073 1.00 0.00 C ATOM 128 CG LEU A 8 1.211 19.059 -6.336 1.00 0.00 C ATOM 129 CD1 LEU A 8 1.014 17.843 -7.218 1.00 0.00 C ATOM 130 CD2 LEU A 8 -0.130 19.590 -5.976 1.00 0.00 C ATOM 0 H LEU A 8 3.683 18.378 -3.207 1.00 0.00 H new ATOM 0 HA LEU A 8 2.764 20.690 -4.799 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.889 18.101 -5.395 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.408 18.027 -4.461 1.00 0.00 H new ATOM 0 HG LEU A 8 1.776 19.826 -6.866 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.440 18.123 -8.101 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.985 17.455 -7.525 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.475 17.075 -6.663 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.677 19.844 -6.884 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.683 18.834 -5.419 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.015 20.482 -5.361 1.00 0.00 H new ATOM 142 N LEU A 9 1.438 19.605 -1.996 1.00 0.00 N ATOM 143 CA LEU A 9 0.539 19.867 -0.903 1.00 0.00 C ATOM 144 C LEU A 9 0.705 21.258 -0.305 1.00 0.00 C ATOM 145 O LEU A 9 -0.260 21.826 0.175 1.00 0.00 O ATOM 146 CB LEU A 9 0.717 18.793 0.168 1.00 0.00 C ATOM 147 CG LEU A 9 0.105 17.409 -0.121 1.00 0.00 C ATOM 148 CD1 LEU A 9 0.527 16.413 0.941 1.00 0.00 C ATOM 149 CD2 LEU A 9 -1.416 17.485 -0.161 1.00 0.00 C ATOM 0 H LEU A 9 2.045 18.804 -1.824 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.475 19.834 -1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.785 18.662 0.342 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.287 19.166 1.097 1.00 0.00 H new ATOM 0 HG LEU A 9 0.469 17.080 -1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.087 15.440 0.723 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.614 16.326 0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.185 16.755 1.918 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.824 16.496 -0.367 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.788 17.839 0.801 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.725 18.175 -0.946 1.00 0.00 H new ATOM 161 N GLY A 10 1.917 21.799 -0.344 1.00 0.00 N ATOM 162 CA GLY A 10 2.140 23.146 0.170 1.00 0.00 C ATOM 163 C GLY A 10 1.350 24.163 -0.621 1.00 0.00 C ATOM 164 O GLY A 10 0.676 25.029 -0.055 1.00 0.00 O ATOM 0 H GLY A 10 2.746 21.337 -0.718 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.851 23.191 1.220 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.202 23.387 0.121 1.00 0.00 H new ATOM 168 N LYS A 11 1.389 24.009 -1.933 1.00 0.00 N ATOM 169 CA LYS A 11 0.649 24.824 -2.839 1.00 0.00 C ATOM 170 C LYS A 11 -0.835 24.624 -2.605 1.00 0.00 C ATOM 171 O LYS A 11 -1.603 25.582 -2.584 1.00 0.00 O ATOM 172 CB LYS A 11 1.033 24.434 -4.257 1.00 0.00 C ATOM 173 CG LYS A 11 2.442 24.839 -4.654 1.00 0.00 C ATOM 174 CD LYS A 11 2.536 26.346 -4.822 1.00 0.00 C ATOM 175 CE LYS A 11 3.948 26.824 -5.136 1.00 0.00 C ATOM 176 NZ LYS A 11 4.871 26.656 -3.995 1.00 0.00 N ATOM 0 H LYS A 11 1.953 23.294 -2.393 1.00 0.00 H new ATOM 0 HA LYS A 11 0.877 25.878 -2.682 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.934 23.354 -4.364 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.327 24.890 -4.951 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.150 24.507 -3.894 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.720 24.345 -5.585 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.866 26.659 -5.623 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.189 26.830 -3.909 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.332 26.272 -5.994 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.917 27.875 -5.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.794 27.073 -4.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.479 27.133 -3.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.991 25.643 -3.791 1.00 0.00 H new ATOM 190 N ILE A 12 -1.214 23.377 -2.391 1.00 0.00 N ATOM 191 CA ILE A 12 -2.589 23.020 -2.100 1.00 0.00 C ATOM 192 C ILE A 12 -3.076 23.714 -0.828 1.00 0.00 C ATOM 193 O ILE A 12 -4.102 24.370 -0.846 1.00 0.00 O ATOM 194 CB ILE A 12 -2.775 21.483 -1.977 1.00 0.00 C ATOM 195 CG1 ILE A 12 -2.450 20.814 -3.313 1.00 0.00 C ATOM 196 CG2 ILE A 12 -4.199 21.132 -1.533 1.00 0.00 C ATOM 197 CD1 ILE A 12 -2.544 19.308 -3.296 1.00 0.00 C ATOM 0 H ILE A 12 -0.575 22.582 -2.414 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.192 23.362 -2.941 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.089 21.112 -1.215 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.129 21.200 -4.073 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.442 21.099 -3.612 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.300 20.049 -1.456 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.400 21.585 -0.562 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.912 21.511 -2.265 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.298 18.917 -4.283 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.844 18.908 -2.562 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.558 19.010 -3.030 1.00 0.00 H new ATOM 209 N THR A 13 -2.328 23.593 0.247 1.00 0.00 N ATOM 210 CA THR A 13 -2.684 24.199 1.520 1.00 0.00 C ATOM 211 C THR A 13 -2.817 25.710 1.412 1.00 0.00 C ATOM 212 O THR A 13 -3.794 26.296 1.880 1.00 0.00 O ATOM 213 CB THR A 13 -1.642 23.853 2.592 1.00 0.00 C ATOM 214 OG1 THR A 13 -1.559 22.429 2.696 1.00 0.00 O ATOM 215 CG2 THR A 13 -2.028 24.424 3.955 1.00 0.00 C ATOM 0 H THR A 13 -1.452 23.071 0.267 1.00 0.00 H new ATOM 0 HA THR A 13 -3.653 23.792 1.807 1.00 0.00 H new ATOM 0 HB THR A 13 -0.686 24.287 2.300 1.00 0.00 H new ATOM 0 HG1 THR A 13 -1.074 22.072 1.923 1.00 0.00 H new ATOM 0 HG21 THR A 13 -1.267 24.159 4.689 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.104 25.509 3.887 1.00 0.00 H new ATOM 0 HG23 THR A 13 -2.989 24.012 4.263 1.00 0.00 H new ATOM 223 N GLU A 14 -1.888 26.324 0.753 1.00 0.00 N ATOM 224 CA GLU A 14 -1.876 27.749 0.679 1.00 0.00 C ATOM 225 C GLU A 14 -2.895 28.334 -0.300 1.00 0.00 C ATOM 226 O GLU A 14 -3.285 29.497 -0.174 1.00 0.00 O ATOM 227 CB GLU A 14 -0.493 28.250 0.439 1.00 0.00 C ATOM 228 CG GLU A 14 0.447 28.018 1.607 1.00 0.00 C ATOM 229 CD GLU A 14 1.783 28.656 1.397 1.00 0.00 C ATOM 230 OE1 GLU A 14 2.729 27.971 0.964 1.00 0.00 O ATOM 231 OE2 GLU A 14 1.910 29.877 1.659 1.00 0.00 O ATOM 0 H GLU A 14 -1.127 25.860 0.258 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.205 28.113 1.652 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.087 27.761 -0.446 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.534 29.318 0.223 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.003 28.415 2.517 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.578 26.946 1.757 1.00 0.00 H new ATOM 238 N LYS A 15 -3.358 27.546 -1.245 1.00 0.00 N ATOM 239 CA LYS A 15 -4.312 28.007 -2.173 1.00 0.00 C ATOM 240 C LYS A 15 -5.689 27.597 -1.751 1.00 0.00 C ATOM 241 O LYS A 15 -6.564 28.424 -1.553 1.00 0.00 O ATOM 242 CB LYS A 15 -4.018 27.415 -3.530 1.00 0.00 C ATOM 243 CG LYS A 15 -3.419 28.384 -4.520 1.00 0.00 C ATOM 244 CD LYS A 15 -2.031 28.824 -4.100 1.00 0.00 C ATOM 245 CE LYS A 15 -1.500 29.868 -5.052 1.00 0.00 C ATOM 246 NZ LYS A 15 -0.143 30.326 -4.690 1.00 0.00 N ATOM 0 H LYS A 15 -3.072 26.575 -1.374 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.260 29.095 -2.219 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.335 26.574 -3.405 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.943 27.016 -3.946 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.371 27.917 -5.504 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.066 29.257 -4.613 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.061 29.227 -3.088 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.360 27.965 -4.081 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.485 29.459 -6.062 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.177 30.722 -5.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.176 31.042 -5.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.160 30.741 -3.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.511 29.518 -4.704 1.00 0.00 H new ATOM 260 N CYS A 16 -5.841 26.333 -1.523 1.00 0.00 N ATOM 261 CA CYS A 16 -7.080 25.747 -1.308 1.00 0.00 C ATOM 262 C CYS A 16 -7.238 25.430 0.152 1.00 0.00 C ATOM 263 O CYS A 16 -8.256 25.725 0.751 1.00 0.00 O ATOM 264 CB CYS A 16 -7.111 24.476 -2.122 1.00 0.00 C ATOM 265 SG CYS A 16 -6.800 24.707 -3.885 1.00 0.00 S ATOM 0 H CYS A 16 -5.063 25.675 -1.484 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.891 26.413 -1.601 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.368 23.786 -1.723 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.085 24.003 -1.997 1.00 0.00 H new ATOM 0 HG CYS A 16 -6.429 23.578 -4.412 1.00 0.00 H new ATOM 271 N GLY A 17 -6.226 24.844 0.730 1.00 0.00 N ATOM 272 CA GLY A 17 -6.299 24.475 2.081 1.00 0.00 C ATOM 273 C GLY A 17 -5.982 23.036 2.273 1.00 0.00 C ATOM 274 O GLY A 17 -4.989 22.673 2.890 1.00 0.00 O ATOM 0 H GLY A 17 -5.345 24.619 0.268 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.605 25.082 2.662 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.299 24.682 2.462 1.00 0.00 H new ATOM 278 N THR A 18 -6.795 22.226 1.690 1.00 0.00 N ATOM 279 CA THR A 18 -6.726 20.787 1.847 1.00 0.00 C ATOM 280 C THR A 18 -7.015 20.137 0.512 1.00 0.00 C ATOM 281 O THR A 18 -7.375 20.841 -0.446 1.00 0.00 O ATOM 282 CB THR A 18 -7.809 20.333 2.851 1.00 0.00 C ATOM 283 OG1 THR A 18 -9.105 20.751 2.364 1.00 0.00 O ATOM 284 CG2 THR A 18 -7.565 20.953 4.217 1.00 0.00 C ATOM 0 H THR A 18 -7.547 22.536 1.075 1.00 0.00 H new ATOM 0 HA THR A 18 -5.737 20.503 2.206 1.00 0.00 H new ATOM 0 HB THR A 18 -7.771 19.248 2.947 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.745 20.762 3.106 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.338 20.621 4.910 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.588 20.643 4.588 1.00 0.00 H new ATOM 0 HG23 THR A 18 -7.594 22.039 4.134 1.00 0.00 H new ATOM 292 N GLN A 19 -6.898 18.812 0.444 1.00 0.00 N ATOM 293 CA GLN A 19 -7.225 18.062 -0.765 1.00 0.00 C ATOM 294 C GLN A 19 -8.738 18.111 -1.005 1.00 0.00 C ATOM 295 O GLN A 19 -9.210 17.955 -2.133 1.00 0.00 O ATOM 296 CB GLN A 19 -6.722 16.604 -0.678 1.00 0.00 C ATOM 297 CG GLN A 19 -5.200 16.475 -0.584 1.00 0.00 C ATOM 298 CD GLN A 19 -4.712 15.030 -0.486 1.00 0.00 C ATOM 299 OE1 GLN A 19 -4.439 14.420 -1.618 1.00 0.00 O flip ATOM 300 NE2 GLN A 19 -4.561 14.476 0.607 1.00 0.00 N flip ATOM 0 H GLN A 19 -6.576 18.233 1.220 1.00 0.00 H new ATOM 0 HA GLN A 19 -6.717 18.525 -1.611 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.171 16.127 0.193 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -7.069 16.058 -1.555 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -4.750 16.943 -1.459 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.850 17.027 0.288 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -4.782 14.977 1.468 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.215 13.517 0.649 1.00 0.00 H new ATOM 309 N TYR A 20 -9.479 18.366 0.070 1.00 0.00 N ATOM 310 CA TYR A 20 -10.921 18.533 0.006 1.00 0.00 C ATOM 311 C TYR A 20 -11.231 19.818 -0.701 1.00 0.00 C ATOM 312 O TYR A 20 -11.938 19.843 -1.692 1.00 0.00 O ATOM 313 CB TYR A 20 -11.506 18.618 1.405 1.00 0.00 C ATOM 314 CG TYR A 20 -13.025 18.712 1.424 1.00 0.00 C ATOM 315 CD1 TYR A 20 -13.667 19.861 1.876 1.00 0.00 C ATOM 316 CD2 TYR A 20 -13.807 17.666 0.960 1.00 0.00 C ATOM 317 CE1 TYR A 20 -15.044 19.956 1.866 1.00 0.00 C ATOM 318 CE2 TYR A 20 -15.182 17.753 0.950 1.00 0.00 C ATOM 319 CZ TYR A 20 -15.796 18.898 1.401 1.00 0.00 C ATOM 320 OH TYR A 20 -17.173 18.985 1.387 1.00 0.00 O ATOM 0 H TYR A 20 -9.093 18.462 1.009 1.00 0.00 H new ATOM 0 HA TYR A 20 -11.349 17.680 -0.521 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -11.197 17.741 1.973 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -11.090 19.489 1.912 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -13.079 20.691 2.240 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -13.330 16.767 0.600 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -15.529 20.853 2.220 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -15.775 16.926 0.590 1.00 0.00 H new ATOM 0 HH TYR A 20 -17.550 18.154 1.028 1.00 0.00 H new ATOM 330 N ASN A 21 -10.693 20.888 -0.165 1.00 0.00 N ATOM 331 CA ASN A 21 -10.883 22.225 -0.721 1.00 0.00 C ATOM 332 C ASN A 21 -10.386 22.302 -2.157 1.00 0.00 C ATOM 333 O ASN A 21 -10.959 23.006 -2.981 1.00 0.00 O ATOM 334 CB ASN A 21 -10.171 23.278 0.094 1.00 0.00 C ATOM 335 CG ASN A 21 -10.683 23.471 1.511 1.00 0.00 C ATOM 336 OD1 ASN A 21 -9.866 24.085 2.335 1.00 0.00 O flip ATOM 337 ND2 ASN A 21 -11.822 23.147 1.832 1.00 0.00 N flip ATOM 0 H ASN A 21 -10.109 20.866 0.671 1.00 0.00 H new ATOM 0 HA ASN A 21 -11.955 22.419 -0.694 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.113 23.021 0.141 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -10.244 24.230 -0.432 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.425 22.671 1.161 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.166 23.354 2.770 1.00 0.00 H new ATOM 344 N PHE A 22 -9.293 21.599 -2.412 1.00 0.00 N ATOM 345 CA PHE A 22 -8.710 21.425 -3.755 1.00 0.00 C ATOM 346 C PHE A 22 -9.798 20.963 -4.697 1.00 0.00 C ATOM 347 O PHE A 22 -10.060 21.580 -5.736 1.00 0.00 O ATOM 348 CB PHE A 22 -7.640 20.332 -3.667 1.00 0.00 C ATOM 349 CG PHE A 22 -6.840 20.055 -4.919 1.00 0.00 C ATOM 350 CD1 PHE A 22 -5.670 20.738 -5.174 1.00 0.00 C ATOM 351 CD2 PHE A 22 -7.246 19.078 -5.815 1.00 0.00 C ATOM 352 CE1 PHE A 22 -4.918 20.454 -6.299 1.00 0.00 C ATOM 353 CE2 PHE A 22 -6.504 18.795 -6.942 1.00 0.00 C ATOM 354 CZ PHE A 22 -5.335 19.483 -7.183 1.00 0.00 C ATOM 0 H PHE A 22 -8.767 21.119 -1.682 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.278 22.359 -4.113 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -6.944 20.602 -2.873 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -8.126 19.405 -3.363 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.337 21.503 -4.488 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -8.158 18.530 -5.627 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.002 20.995 -6.485 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -6.838 18.036 -7.634 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.747 19.262 -8.062 1.00 0.00 H new ATOM 364 N ALA A 23 -10.436 19.878 -4.292 1.00 0.00 N ATOM 365 CA ALA A 23 -11.548 19.291 -5.019 1.00 0.00 C ATOM 366 C ALA A 23 -12.648 20.327 -5.234 1.00 0.00 C ATOM 367 O ALA A 23 -13.123 20.508 -6.341 1.00 0.00 O ATOM 368 CB ALA A 23 -12.115 18.089 -4.257 1.00 0.00 C ATOM 0 H ALA A 23 -10.193 19.374 -3.439 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.180 18.954 -5.988 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.947 17.663 -4.817 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.337 17.336 -4.134 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.465 18.412 -3.277 1.00 0.00 H new ATOM 374 N ILE A 24 -13.009 21.021 -4.163 1.00 0.00 N ATOM 375 CA ILE A 24 -14.043 22.043 -4.174 1.00 0.00 C ATOM 376 C ILE A 24 -13.759 23.123 -5.223 1.00 0.00 C ATOM 377 O ILE A 24 -14.615 23.423 -6.075 1.00 0.00 O ATOM 378 CB ILE A 24 -14.130 22.712 -2.789 1.00 0.00 C ATOM 379 CG1 ILE A 24 -14.395 21.667 -1.709 1.00 0.00 C ATOM 380 CG2 ILE A 24 -15.196 23.809 -2.755 1.00 0.00 C ATOM 381 CD1 ILE A 24 -15.706 20.939 -1.826 1.00 0.00 C ATOM 0 H ILE A 24 -12.583 20.886 -3.246 1.00 0.00 H new ATOM 0 HA ILE A 24 -14.985 21.554 -4.423 1.00 0.00 H new ATOM 0 HB ILE A 24 -13.169 23.187 -2.589 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -13.588 20.934 -1.730 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -14.356 22.156 -0.736 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -15.226 24.256 -1.761 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.953 24.576 -3.491 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -16.169 23.378 -2.989 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -15.797 20.220 -1.012 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -16.526 21.655 -1.771 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -15.747 20.414 -2.780 1.00 0.00 H new ATOM 393 N ALA A 25 -12.560 23.678 -5.163 1.00 0.00 N ATOM 394 CA ALA A 25 -12.128 24.754 -6.052 1.00 0.00 C ATOM 395 C ALA A 25 -12.069 24.292 -7.502 1.00 0.00 C ATOM 396 O ALA A 25 -12.438 25.027 -8.419 1.00 0.00 O ATOM 397 CB ALA A 25 -10.771 25.282 -5.609 1.00 0.00 C ATOM 0 H ALA A 25 -11.848 23.394 -4.490 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.863 25.557 -5.991 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.457 26.084 -6.277 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.844 25.666 -4.591 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.039 24.475 -5.641 1.00 0.00 H new ATOM 403 N MET A 26 -11.633 23.072 -7.701 1.00 0.00 N ATOM 404 CA MET A 26 -11.513 22.509 -9.032 1.00 0.00 C ATOM 405 C MET A 26 -12.820 21.921 -9.550 1.00 0.00 C ATOM 406 O MET A 26 -12.889 21.477 -10.698 1.00 0.00 O ATOM 407 CB MET A 26 -10.378 21.486 -9.103 1.00 0.00 C ATOM 408 CG MET A 26 -8.989 22.109 -9.114 1.00 0.00 C ATOM 409 SD MET A 26 -7.671 20.913 -9.419 1.00 0.00 S ATOM 410 CE MET A 26 -8.065 20.356 -11.081 1.00 0.00 C ATOM 0 H MET A 26 -11.351 22.440 -6.951 1.00 0.00 H new ATOM 0 HA MET A 26 -11.266 23.339 -9.694 1.00 0.00 H new ATOM 0 HB2 MET A 26 -10.456 20.811 -8.251 1.00 0.00 H new ATOM 0 HB3 MET A 26 -10.502 20.881 -10.001 1.00 0.00 H new ATOM 0 HG2 MET A 26 -8.952 22.883 -9.880 1.00 0.00 H new ATOM 0 HG3 MET A 26 -8.811 22.599 -8.157 1.00 0.00 H new ATOM 0 HE1 MET A 26 -7.387 19.551 -11.365 1.00 0.00 H new ATOM 0 HE2 MET A 26 -9.092 19.992 -11.109 1.00 0.00 H new ATOM 0 HE3 MET A 26 -7.955 21.186 -11.779 1.00 0.00 H new ATOM 420 N GLY A 27 -13.843 21.910 -8.713 1.00 0.00 N ATOM 421 CA GLY A 27 -15.135 21.367 -9.104 1.00 0.00 C ATOM 422 C GLY A 27 -15.074 19.865 -9.261 1.00 0.00 C ATOM 423 O GLY A 27 -15.749 19.280 -10.100 1.00 0.00 O ATOM 0 H GLY A 27 -13.806 22.270 -7.759 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.883 21.626 -8.355 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -15.454 21.820 -10.043 1.00 0.00 H new ATOM 427 N LEU A 28 -14.253 19.259 -8.460 1.00 0.00 N ATOM 428 CA LEU A 28 -14.022 17.847 -8.490 1.00 0.00 C ATOM 429 C LEU A 28 -14.639 17.204 -7.297 1.00 0.00 C ATOM 430 O LEU A 28 -14.989 17.865 -6.314 1.00 0.00 O ATOM 431 CB LEU A 28 -12.532 17.556 -8.505 1.00 0.00 C ATOM 432 CG LEU A 28 -11.746 18.021 -9.723 1.00 0.00 C ATOM 433 CD1 LEU A 28 -10.288 17.689 -9.541 1.00 0.00 C ATOM 434 CD2 LEU A 28 -12.262 17.342 -10.959 1.00 0.00 C ATOM 0 H LEU A 28 -13.710 19.746 -7.747 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.474 17.442 -9.395 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.089 18.015 -7.621 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.397 16.479 -8.406 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.865 19.099 -9.831 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.727 18.023 -10.414 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.908 18.192 -8.652 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.172 16.611 -9.425 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.693 17.681 -11.825 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.153 16.263 -10.854 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.315 17.589 -11.097 1.00 0.00 H new ATOM 446 N SER A 29 -14.768 15.935 -7.368 1.00 0.00 N ATOM 447 CA SER A 29 -15.348 15.194 -6.315 1.00 0.00 C ATOM 448 C SER A 29 -14.232 14.706 -5.386 1.00 0.00 C ATOM 449 O SER A 29 -13.144 14.351 -5.860 1.00 0.00 O ATOM 450 CB SER A 29 -16.141 14.075 -6.925 1.00 0.00 C ATOM 451 OG SER A 29 -16.947 14.591 -7.991 1.00 0.00 O ATOM 0 H SER A 29 -14.471 15.374 -8.167 1.00 0.00 H new ATOM 0 HA SER A 29 -16.027 15.793 -5.709 1.00 0.00 H new ATOM 0 HB2 SER A 29 -15.471 13.303 -7.302 1.00 0.00 H new ATOM 0 HB3 SER A 29 -16.773 13.608 -6.170 1.00 0.00 H new ATOM 0 HG SER A 29 -17.465 13.862 -8.392 1.00 0.00 H new ATOM 457 N GLU A 30 -14.501 14.726 -4.087 1.00 0.00 N ATOM 458 CA GLU A 30 -13.525 14.425 -3.025 1.00 0.00 C ATOM 459 C GLU A 30 -12.764 13.112 -3.265 1.00 0.00 C ATOM 460 O GLU A 30 -11.526 13.104 -3.260 1.00 0.00 O ATOM 461 CB GLU A 30 -14.247 14.467 -1.655 1.00 0.00 C ATOM 462 CG GLU A 30 -13.387 14.270 -0.394 1.00 0.00 C ATOM 463 CD GLU A 30 -13.002 12.831 -0.117 1.00 0.00 C ATOM 464 OE1 GLU A 30 -11.819 12.553 0.150 1.00 0.00 O ATOM 465 OE2 GLU A 30 -13.884 11.942 -0.173 1.00 0.00 O ATOM 0 H GLU A 30 -15.426 14.957 -3.724 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.748 15.190 -3.034 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.753 15.429 -1.570 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -15.020 13.699 -1.658 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.478 14.864 -0.492 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.931 14.660 0.466 1.00 0.00 H new ATOM 472 N ARG A 31 -13.482 12.030 -3.525 1.00 0.00 N ATOM 473 CA ARG A 31 -12.872 10.758 -3.763 1.00 0.00 C ATOM 474 C ARG A 31 -12.100 10.780 -5.061 1.00 0.00 C ATOM 475 O ARG A 31 -11.020 10.244 -5.145 1.00 0.00 O ATOM 476 CB ARG A 31 -13.927 9.666 -3.838 1.00 0.00 C ATOM 477 CG ARG A 31 -14.664 9.307 -2.545 1.00 0.00 C ATOM 478 CD ARG A 31 -13.757 8.658 -1.483 1.00 0.00 C ATOM 479 NE ARG A 31 -12.749 9.568 -0.932 1.00 0.00 N ATOM 480 CZ ARG A 31 -11.476 9.239 -0.676 1.00 0.00 C ATOM 481 NH1 ARG A 31 -11.058 7.983 -0.813 1.00 0.00 N ATOM 482 NH2 ARG A 31 -10.646 10.156 -0.243 1.00 0.00 N ATOM 0 H ARG A 31 -14.501 12.023 -3.574 1.00 0.00 H new ATOM 0 HA ARG A 31 -12.193 10.551 -2.936 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -14.670 9.966 -4.577 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -13.449 8.762 -4.215 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -15.111 10.209 -2.128 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -15.482 8.625 -2.779 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -14.377 8.282 -0.669 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -13.254 7.798 -1.924 1.00 0.00 H new ATOM 0 HE ARG A 31 -13.039 10.524 -0.728 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.709 7.259 -1.116 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -10.086 7.744 -0.615 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -10.971 11.113 -0.103 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.675 9.913 -0.046 1.00 0.00 H new ATOM 496 N THR A 32 -12.635 11.478 -6.041 1.00 0.00 N ATOM 497 CA THR A 32 -12.067 11.515 -7.373 1.00 0.00 C ATOM 498 C THR A 32 -10.704 12.200 -7.328 1.00 0.00 C ATOM 499 O THR A 32 -9.734 11.741 -7.940 1.00 0.00 O ATOM 500 CB THR A 32 -13.038 12.241 -8.333 1.00 0.00 C ATOM 501 OG1 THR A 32 -14.359 11.712 -8.111 1.00 0.00 O ATOM 502 CG2 THR A 32 -12.656 11.966 -9.768 1.00 0.00 C ATOM 0 H THR A 32 -13.481 12.039 -5.936 1.00 0.00 H new ATOM 0 HA THR A 32 -11.923 10.501 -7.746 1.00 0.00 H new ATOM 0 HB THR A 32 -13.000 13.315 -8.148 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.956 12.012 -8.828 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.347 12.483 -10.434 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.642 12.323 -9.949 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.703 10.894 -9.958 1.00 0.00 H new ATOM 510 N VAL A 33 -10.637 13.255 -6.558 1.00 0.00 N ATOM 511 CA VAL A 33 -9.436 13.947 -6.292 1.00 0.00 C ATOM 512 C VAL A 33 -8.499 13.122 -5.563 1.00 0.00 C ATOM 513 O VAL A 33 -7.353 13.006 -5.952 1.00 0.00 O ATOM 514 CB VAL A 33 -9.738 15.196 -5.500 1.00 0.00 C ATOM 515 CG1 VAL A 33 -8.506 15.863 -5.019 1.00 0.00 C ATOM 516 CG2 VAL A 33 -10.340 16.098 -6.410 1.00 0.00 C ATOM 0 H VAL A 33 -11.451 13.656 -6.092 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.979 14.212 -7.245 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.356 14.931 -4.642 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.773 16.757 -4.455 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.950 15.180 -4.376 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.888 16.144 -5.872 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.584 17.027 -5.894 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.649 16.307 -7.226 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.252 15.656 -6.811 1.00 0.00 H new ATOM 526 N SER A 34 -8.974 12.493 -4.560 1.00 0.00 N ATOM 527 CA SER A 34 -8.104 11.798 -3.726 1.00 0.00 C ATOM 528 C SER A 34 -7.593 10.488 -4.386 1.00 0.00 C ATOM 529 O SER A 34 -6.680 9.837 -3.890 1.00 0.00 O ATOM 530 CB SER A 34 -8.722 11.571 -2.375 1.00 0.00 C ATOM 531 OG SER A 34 -9.194 12.803 -1.832 1.00 0.00 O ATOM 0 H SER A 34 -9.960 12.450 -4.304 1.00 0.00 H new ATOM 0 HA SER A 34 -7.220 12.416 -3.569 1.00 0.00 H new ATOM 0 HB2 SER A 34 -9.547 10.863 -2.459 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.988 11.127 -1.702 1.00 0.00 H new ATOM 0 HG SER A 34 -10.042 13.045 -2.259 1.00 0.00 H new ATOM 537 N LEU A 35 -8.204 10.111 -5.489 1.00 0.00 N ATOM 538 CA LEU A 35 -7.760 8.977 -6.245 1.00 0.00 C ATOM 539 C LEU A 35 -6.709 9.397 -7.286 1.00 0.00 C ATOM 540 O LEU A 35 -5.726 8.670 -7.512 1.00 0.00 O ATOM 541 CB LEU A 35 -8.972 8.252 -6.854 1.00 0.00 C ATOM 542 CG LEU A 35 -9.888 7.558 -5.815 1.00 0.00 C ATOM 543 CD1 LEU A 35 -11.222 7.121 -6.415 1.00 0.00 C ATOM 544 CD2 LEU A 35 -9.169 6.366 -5.186 1.00 0.00 C ATOM 0 H LEU A 35 -9.019 10.585 -5.879 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.261 8.264 -5.589 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -9.564 8.971 -7.420 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.615 7.505 -7.563 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.111 8.292 -5.041 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -11.827 6.640 -5.646 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -11.751 7.993 -6.800 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.042 6.417 -7.228 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -9.825 5.888 -4.458 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -8.906 5.648 -5.963 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.263 6.710 -4.687 1.00 0.00 H new ATOM 556 N LYS A 36 -6.896 10.580 -7.887 1.00 0.00 N ATOM 557 CA LYS A 36 -5.951 11.130 -8.842 1.00 0.00 C ATOM 558 C LYS A 36 -4.733 11.706 -8.129 1.00 0.00 C ATOM 559 O LYS A 36 -3.593 11.333 -8.373 1.00 0.00 O ATOM 560 CB LYS A 36 -6.612 12.243 -9.623 1.00 0.00 C ATOM 561 CG LYS A 36 -7.652 11.810 -10.646 1.00 0.00 C ATOM 562 CD LYS A 36 -8.606 12.939 -10.821 1.00 0.00 C ATOM 563 CE LYS A 36 -9.839 12.606 -11.687 1.00 0.00 C ATOM 564 NZ LYS A 36 -9.565 12.528 -13.132 1.00 0.00 N ATOM 0 H LYS A 36 -7.708 11.174 -7.719 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.635 10.327 -9.507 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.087 12.924 -8.917 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.836 12.809 -10.139 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.176 11.560 -11.594 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.175 10.916 -10.306 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.946 13.267 -9.838 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.077 13.779 -11.272 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.253 11.654 -11.356 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.604 13.363 -11.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.057 11.705 -13.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.903 13.395 -13.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.541 12.430 -13.286 1.00 0.00 H new ATOM 578 N LEU A 37 -5.014 12.557 -7.180 1.00 0.00 N ATOM 579 CA LEU A 37 -4.025 13.330 -6.458 1.00 0.00 C ATOM 580 C LEU A 37 -3.427 12.529 -5.298 1.00 0.00 C ATOM 581 O LEU A 37 -3.032 13.080 -4.271 1.00 0.00 O ATOM 582 CB LEU A 37 -4.694 14.662 -5.996 1.00 0.00 C ATOM 583 CG LEU A 37 -3.888 15.644 -5.178 1.00 0.00 C ATOM 584 CD1 LEU A 37 -2.915 16.368 -6.026 1.00 0.00 C ATOM 585 CD2 LEU A 37 -4.782 16.593 -4.414 1.00 0.00 C ATOM 0 H LEU A 37 -5.969 12.742 -6.873 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.182 13.568 -7.107 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.039 15.183 -6.889 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.580 14.401 -5.417 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.321 15.077 -4.440 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.348 17.068 -5.413 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.232 15.654 -6.487 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.447 16.915 -6.804 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.169 17.285 -3.837 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.401 17.154 -5.115 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.422 16.026 -3.739 1.00 0.00 H new ATOM 597 N ASN A 38 -3.308 11.236 -5.469 1.00 0.00 N ATOM 598 CA ASN A 38 -2.696 10.473 -4.432 1.00 0.00 C ATOM 599 C ASN A 38 -1.923 9.297 -4.966 1.00 0.00 C ATOM 600 O ASN A 38 -0.706 9.199 -4.749 1.00 0.00 O ATOM 601 CB ASN A 38 -3.692 9.995 -3.393 1.00 0.00 C ATOM 602 CG ASN A 38 -3.004 9.535 -2.107 1.00 0.00 C ATOM 603 OD1 ASN A 38 -2.715 10.330 -1.213 1.00 0.00 O ATOM 604 ND2 ASN A 38 -2.785 8.271 -1.980 1.00 0.00 N ATOM 0 H ASN A 38 -3.617 10.712 -6.288 1.00 0.00 H new ATOM 0 HA ASN A 38 -1.999 11.157 -3.948 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -4.390 10.800 -3.163 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.278 9.173 -3.804 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -2.363 7.910 -1.124 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -3.033 7.632 -2.735 1.00 0.00 H new ATOM 611 N ASP A 39 -2.587 8.403 -5.688 1.00 0.00 N ATOM 612 CA ASP A 39 -1.899 7.170 -6.050 1.00 0.00 C ATOM 613 C ASP A 39 -2.505 6.385 -7.189 1.00 0.00 C ATOM 614 O ASP A 39 -1.748 5.797 -7.971 1.00 0.00 O ATOM 615 CB ASP A 39 -1.786 6.220 -4.825 1.00 0.00 C ATOM 616 CG ASP A 39 -3.133 5.711 -4.322 1.00 0.00 C ATOM 617 OD1 ASP A 39 -3.556 4.621 -4.712 1.00 0.00 O ATOM 618 OD2 ASP A 39 -3.793 6.418 -3.525 1.00 0.00 O ATOM 0 H ASP A 39 -3.547 8.497 -6.019 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.925 7.517 -6.394 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.162 5.368 -5.093 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.279 6.744 -4.015 1.00 0.00 H new ATOM 623 N LYS A 40 -3.830 6.361 -7.350 1.00 0.00 N ATOM 624 CA LYS A 40 -4.323 5.318 -8.247 1.00 0.00 C ATOM 625 C LYS A 40 -4.388 5.736 -9.705 1.00 0.00 C ATOM 626 O LYS A 40 -4.089 4.932 -10.590 1.00 0.00 O ATOM 627 CB LYS A 40 -5.647 4.649 -7.821 1.00 0.00 C ATOM 628 CG LYS A 40 -6.915 5.412 -8.070 1.00 0.00 C ATOM 629 CD LYS A 40 -8.054 4.407 -8.116 1.00 0.00 C ATOM 630 CE LYS A 40 -9.275 4.924 -8.837 1.00 0.00 C ATOM 631 NZ LYS A 40 -10.297 3.860 -8.985 1.00 0.00 N ATOM 0 H LYS A 40 -4.518 6.981 -6.922 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.550 4.556 -8.150 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.723 3.692 -8.337 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.588 4.432 -6.754 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.082 6.145 -7.281 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.852 5.963 -9.008 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.708 3.498 -8.607 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.330 4.134 -7.098 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.698 5.765 -8.287 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.990 5.298 -9.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.126 4.242 -9.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.898 3.069 -9.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.585 3.522 -8.045 1.00 0.00 H new ATOM 645 N VAL A 41 -4.782 6.953 -9.975 1.00 0.00 N ATOM 646 CA VAL A 41 -4.898 7.403 -11.318 1.00 0.00 C ATOM 647 C VAL A 41 -4.157 8.689 -11.523 1.00 0.00 C ATOM 648 O VAL A 41 -3.922 9.430 -10.584 1.00 0.00 O ATOM 649 CB VAL A 41 -6.364 7.535 -11.779 1.00 0.00 C ATOM 650 CG1 VAL A 41 -6.973 6.175 -12.047 1.00 0.00 C ATOM 651 CG2 VAL A 41 -7.204 8.281 -10.760 1.00 0.00 C ATOM 0 H VAL A 41 -5.027 7.648 -9.269 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.440 6.635 -11.941 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.357 8.109 -12.705 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.007 6.297 -12.371 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.405 5.670 -12.828 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.946 5.578 -11.135 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.231 8.355 -11.119 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.189 7.743 -9.812 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.797 9.282 -10.616 1.00 0.00 H new ATOM 661 N THR A 42 -3.783 8.920 -12.735 1.00 0.00 N ATOM 662 CA THR A 42 -3.037 10.072 -13.119 1.00 0.00 C ATOM 663 C THR A 42 -3.976 11.171 -13.611 1.00 0.00 C ATOM 664 O THR A 42 -5.198 10.976 -13.649 1.00 0.00 O ATOM 665 CB THR A 42 -2.062 9.652 -14.217 1.00 0.00 C ATOM 666 OG1 THR A 42 -2.760 8.810 -15.157 1.00 0.00 O ATOM 667 CG2 THR A 42 -0.891 8.891 -13.628 1.00 0.00 C ATOM 0 H THR A 42 -3.994 8.293 -13.511 1.00 0.00 H new ATOM 0 HA THR A 42 -2.486 10.473 -12.268 1.00 0.00 H new ATOM 0 HB THR A 42 -1.678 10.541 -14.717 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.145 8.535 -15.869 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.208 8.600 -14.426 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.366 9.526 -12.914 1.00 0.00 H new ATOM 0 HG23 THR A 42 -1.256 7.998 -13.120 1.00 0.00 H new ATOM 675 N TRP A 43 -3.429 12.302 -13.987 1.00 0.00 N ATOM 676 CA TRP A 43 -4.222 13.414 -14.446 1.00 0.00 C ATOM 677 C TRP A 43 -4.236 13.487 -15.944 1.00 0.00 C ATOM 678 O TRP A 43 -3.220 13.261 -16.596 1.00 0.00 O ATOM 679 CB TRP A 43 -3.672 14.741 -13.942 1.00 0.00 C ATOM 680 CG TRP A 43 -3.809 15.001 -12.488 1.00 0.00 C ATOM 681 CD1 TRP A 43 -4.807 15.700 -11.877 1.00 0.00 C ATOM 682 CD2 TRP A 43 -2.911 14.603 -11.461 1.00 0.00 C ATOM 683 NE1 TRP A 43 -4.576 15.770 -10.534 1.00 0.00 N ATOM 684 CE2 TRP A 43 -3.418 15.103 -10.251 1.00 0.00 C ATOM 685 CE3 TRP A 43 -1.723 13.872 -11.444 1.00 0.00 C ATOM 686 CZ2 TRP A 43 -2.780 14.898 -9.047 1.00 0.00 C ATOM 687 CZ3 TRP A 43 -1.095 13.671 -10.242 1.00 0.00 C ATOM 688 CH2 TRP A 43 -1.625 14.186 -9.060 1.00 0.00 C ATOM 0 H TRP A 43 -2.424 12.476 -13.983 1.00 0.00 H new ATOM 0 HA TRP A 43 -5.227 13.249 -14.057 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.614 14.793 -14.200 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -4.172 15.545 -14.482 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.657 16.135 -12.382 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.170 16.243 -9.853 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.307 13.473 -12.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.185 15.290 -8.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.176 13.105 -10.210 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.103 14.014 -8.130 1.00 0.00 H new ATOM 699 N LYS A 44 -5.377 13.782 -16.487 1.00 0.00 N ATOM 700 CA LYS A 44 -5.478 14.091 -17.873 1.00 0.00 C ATOM 701 C LYS A 44 -5.130 15.558 -18.021 1.00 0.00 C ATOM 702 O LYS A 44 -5.153 16.301 -17.027 1.00 0.00 O ATOM 703 CB LYS A 44 -6.898 13.839 -18.373 1.00 0.00 C ATOM 704 CG LYS A 44 -7.364 12.401 -18.256 1.00 0.00 C ATOM 705 CD LYS A 44 -6.470 11.448 -19.026 1.00 0.00 C ATOM 706 CE LYS A 44 -6.937 10.018 -18.860 1.00 0.00 C ATOM 707 NZ LYS A 44 -6.050 9.072 -19.541 1.00 0.00 N ATOM 0 H LYS A 44 -6.261 13.814 -15.979 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.805 13.465 -18.459 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.584 14.476 -17.814 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.960 14.143 -19.418 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.383 12.111 -17.206 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.385 12.320 -18.628 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.471 11.715 -20.083 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.443 11.543 -18.675 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.984 9.772 -17.799 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.948 9.918 -19.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.404 8.104 -19.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.024 9.290 -20.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.091 9.149 -19.146 1.00 0.00 H new ATOM 721 N ASP A 45 -4.850 15.996 -19.220 1.00 0.00 N ATOM 722 CA ASP A 45 -4.471 17.389 -19.446 1.00 0.00 C ATOM 723 C ASP A 45 -5.577 18.334 -19.079 1.00 0.00 C ATOM 724 O ASP A 45 -5.329 19.433 -18.607 1.00 0.00 O ATOM 725 CB ASP A 45 -4.022 17.630 -20.851 1.00 0.00 C ATOM 726 CG ASP A 45 -2.653 17.078 -21.145 1.00 0.00 C ATOM 727 OD1 ASP A 45 -2.545 15.927 -21.604 1.00 0.00 O ATOM 728 OD2 ASP A 45 -1.653 17.791 -20.934 1.00 0.00 O ATOM 0 H ASP A 45 -4.874 15.420 -20.061 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.624 17.586 -18.788 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.741 17.181 -21.536 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.023 18.702 -21.046 1.00 0.00 H new ATOM 733 N ASP A 46 -6.805 17.869 -19.248 1.00 0.00 N ATOM 734 CA ASP A 46 -8.006 18.635 -18.883 1.00 0.00 C ATOM 735 C ASP A 46 -8.034 18.933 -17.400 1.00 0.00 C ATOM 736 O ASP A 46 -8.534 19.974 -16.973 1.00 0.00 O ATOM 737 CB ASP A 46 -9.290 17.889 -19.253 1.00 0.00 C ATOM 738 CG ASP A 46 -9.564 17.816 -20.728 1.00 0.00 C ATOM 739 OD1 ASP A 46 -10.282 18.682 -21.249 1.00 0.00 O ATOM 740 OD2 ASP A 46 -9.103 16.862 -21.393 1.00 0.00 O ATOM 0 H ASP A 46 -7.007 16.950 -19.642 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.959 19.567 -19.446 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.234 16.875 -18.856 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.133 18.377 -18.763 1.00 0.00 H new ATOM 745 N GLU A 47 -7.499 18.026 -16.617 1.00 0.00 N ATOM 746 CA GLU A 47 -7.473 18.192 -15.178 1.00 0.00 C ATOM 747 C GLU A 47 -6.345 19.173 -14.850 1.00 0.00 C ATOM 748 O GLU A 47 -6.517 20.142 -14.094 1.00 0.00 O ATOM 749 CB GLU A 47 -7.168 16.851 -14.487 1.00 0.00 C ATOM 750 CG GLU A 47 -7.881 15.623 -15.063 1.00 0.00 C ATOM 751 CD GLU A 47 -9.386 15.656 -14.990 1.00 0.00 C ATOM 752 OE1 GLU A 47 -10.026 16.186 -15.921 1.00 0.00 O ATOM 753 OE2 GLU A 47 -9.950 15.083 -14.035 1.00 0.00 O ATOM 0 H GLU A 47 -7.074 17.161 -16.951 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.440 18.556 -14.830 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.093 16.677 -14.533 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.432 16.939 -13.433 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.587 15.510 -16.107 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.528 14.738 -14.534 1.00 0.00 H new ATOM 760 N ILE A 48 -5.202 18.925 -15.485 1.00 0.00 N ATOM 761 CA ILE A 48 -3.977 19.695 -15.285 1.00 0.00 C ATOM 762 C ILE A 48 -4.166 21.175 -15.636 1.00 0.00 C ATOM 763 O ILE A 48 -3.742 22.052 -14.876 1.00 0.00 O ATOM 764 CB ILE A 48 -2.797 19.094 -16.113 1.00 0.00 C ATOM 765 CG1 ILE A 48 -2.569 17.635 -15.697 1.00 0.00 C ATOM 766 CG2 ILE A 48 -1.515 19.915 -15.925 1.00 0.00 C ATOM 767 CD1 ILE A 48 -1.486 16.916 -16.471 1.00 0.00 C ATOM 0 H ILE A 48 -5.099 18.171 -16.164 1.00 0.00 H new ATOM 0 HA ILE A 48 -3.733 19.632 -14.225 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.059 19.129 -17.170 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.316 17.609 -14.637 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.504 17.088 -15.815 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.711 19.473 -16.513 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.687 20.939 -16.257 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.235 19.917 -14.871 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.397 15.892 -16.107 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.743 16.904 -17.530 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.536 17.433 -16.334 1.00 0.00 H new ATOM 779 N LEU A 49 -4.844 21.448 -16.754 1.00 0.00 N ATOM 780 CA LEU A 49 -5.057 22.818 -17.209 1.00 0.00 C ATOM 781 C LEU A 49 -5.815 23.680 -16.197 1.00 0.00 C ATOM 782 O LEU A 49 -5.668 24.908 -16.169 1.00 0.00 O ATOM 783 CB LEU A 49 -5.633 22.870 -18.639 1.00 0.00 C ATOM 784 CG LEU A 49 -6.981 22.251 -18.869 1.00 0.00 C ATOM 785 CD1 LEU A 49 -8.081 23.145 -18.356 1.00 0.00 C ATOM 786 CD2 LEU A 49 -7.165 21.920 -20.324 1.00 0.00 C ATOM 0 H LEU A 49 -5.254 20.736 -17.359 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.073 23.283 -17.272 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.688 23.916 -18.941 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.922 22.383 -19.306 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.036 21.319 -18.306 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -9.047 22.673 -18.535 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.949 23.307 -17.286 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.043 24.103 -18.875 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -8.147 21.472 -20.474 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.087 22.831 -20.917 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.394 21.216 -20.637 1.00 0.00 H new ATOM 798 N LYS A 50 -6.612 23.041 -15.359 1.00 0.00 N ATOM 799 CA LYS A 50 -7.307 23.732 -14.317 1.00 0.00 C ATOM 800 C LYS A 50 -6.429 23.882 -13.097 1.00 0.00 C ATOM 801 O LYS A 50 -6.339 24.965 -12.526 1.00 0.00 O ATOM 802 CB LYS A 50 -8.619 23.049 -13.984 1.00 0.00 C ATOM 803 CG LYS A 50 -9.764 23.453 -14.897 1.00 0.00 C ATOM 804 CD LYS A 50 -10.179 24.904 -14.642 1.00 0.00 C ATOM 805 CE LYS A 50 -11.106 25.440 -15.720 1.00 0.00 C ATOM 806 NZ LYS A 50 -12.379 24.705 -15.810 1.00 0.00 N ATOM 0 H LYS A 50 -6.787 22.037 -15.391 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.549 24.733 -14.675 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.482 21.969 -14.043 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.888 23.280 -12.953 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.464 23.334 -15.938 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.616 22.793 -14.733 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.675 24.972 -13.674 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.288 25.530 -14.589 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.314 26.491 -15.521 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.598 25.393 -16.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.966 25.118 -16.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.188 23.706 -16.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.883 24.771 -14.903 1.00 0.00 H new ATOM 820 N ALA A 51 -5.729 22.807 -12.742 1.00 0.00 N ATOM 821 CA ALA A 51 -4.832 22.799 -11.583 1.00 0.00 C ATOM 822 C ALA A 51 -3.777 23.904 -11.695 1.00 0.00 C ATOM 823 O ALA A 51 -3.538 24.646 -10.742 1.00 0.00 O ATOM 824 CB ALA A 51 -4.165 21.439 -11.435 1.00 0.00 C ATOM 0 H ALA A 51 -5.765 21.920 -13.245 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.430 22.993 -10.693 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.502 21.451 -10.570 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -4.928 20.673 -11.297 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.586 21.218 -12.332 1.00 0.00 H new ATOM 830 N VAL A 52 -3.206 24.048 -12.888 1.00 0.00 N ATOM 831 CA VAL A 52 -2.188 25.069 -13.171 1.00 0.00 C ATOM 832 C VAL A 52 -2.725 26.497 -12.917 1.00 0.00 C ATOM 833 O VAL A 52 -1.975 27.394 -12.538 1.00 0.00 O ATOM 834 CB VAL A 52 -1.649 24.938 -14.644 1.00 0.00 C ATOM 835 CG1 VAL A 52 -0.681 26.062 -15.007 1.00 0.00 C ATOM 836 CG2 VAL A 52 -0.957 23.598 -14.832 1.00 0.00 C ATOM 0 H VAL A 52 -3.433 23.461 -13.691 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.360 24.897 -12.484 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.511 25.010 -15.307 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.336 25.928 -16.032 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.188 27.022 -14.917 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.174 26.039 -14.331 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.588 23.519 -15.855 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.120 23.520 -14.138 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.665 22.792 -14.638 1.00 0.00 H new ATOM 846 N HIS A 53 -4.021 26.683 -13.075 1.00 0.00 N ATOM 847 CA HIS A 53 -4.642 27.983 -12.912 1.00 0.00 C ATOM 848 C HIS A 53 -5.131 28.240 -11.491 1.00 0.00 C ATOM 849 O HIS A 53 -5.310 29.393 -11.088 1.00 0.00 O ATOM 850 CB HIS A 53 -5.797 28.131 -13.875 1.00 0.00 C ATOM 851 CG HIS A 53 -5.425 28.594 -15.249 1.00 0.00 C ATOM 852 ND1 HIS A 53 -5.838 29.797 -15.769 1.00 0.00 N ATOM 853 CD2 HIS A 53 -4.704 27.996 -16.228 1.00 0.00 C ATOM 854 CE1 HIS A 53 -5.393 29.918 -16.999 1.00 0.00 C ATOM 855 NE2 HIS A 53 -4.700 28.839 -17.302 1.00 0.00 N ATOM 0 H HIS A 53 -4.673 25.938 -13.320 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.871 28.723 -13.126 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -6.306 27.171 -13.958 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -6.513 28.836 -13.453 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -4.222 27.031 -16.170 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -5.566 30.760 -17.652 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -4.236 28.662 -18.193 1.00 0.00 H new ATOM 863 N VAL A 54 -5.344 27.195 -10.737 1.00 0.00 N ATOM 864 CA VAL A 54 -5.857 27.341 -9.391 1.00 0.00 C ATOM 865 C VAL A 54 -4.690 27.443 -8.446 1.00 0.00 C ATOM 866 O VAL A 54 -4.503 28.442 -7.755 1.00 0.00 O ATOM 867 CB VAL A 54 -6.768 26.140 -8.984 1.00 0.00 C ATOM 868 CG1 VAL A 54 -7.208 26.243 -7.527 1.00 0.00 C ATOM 869 CG2 VAL A 54 -7.984 26.046 -9.893 1.00 0.00 C ATOM 0 H VAL A 54 -5.172 26.232 -11.027 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.470 28.241 -9.345 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.177 25.231 -9.098 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.841 25.391 -7.277 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.330 26.245 -6.881 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.768 27.166 -7.381 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.602 25.201 -9.588 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.565 26.965 -9.820 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.658 25.904 -10.923 1.00 0.00 H new ATOM 879 N LEU A 55 -3.887 26.418 -8.477 1.00 0.00 N ATOM 880 CA LEU A 55 -2.746 26.261 -7.682 1.00 0.00 C ATOM 881 C LEU A 55 -1.614 27.183 -8.116 1.00 0.00 C ATOM 882 O LEU A 55 -0.700 27.458 -7.335 1.00 0.00 O ATOM 883 CB LEU A 55 -2.328 24.831 -7.857 1.00 0.00 C ATOM 884 CG LEU A 55 -3.145 23.736 -7.160 1.00 0.00 C ATOM 885 CD1 LEU A 55 -3.035 23.824 -5.655 1.00 0.00 C ATOM 886 CD2 LEU A 55 -4.610 23.682 -7.585 1.00 0.00 C ATOM 0 H LEU A 55 -4.039 25.630 -9.106 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.967 26.513 -6.645 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.328 24.615 -8.925 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.297 24.743 -7.514 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.695 22.801 -7.494 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.628 23.031 -5.200 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.992 23.712 -5.359 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.406 24.792 -5.319 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.116 22.881 -7.046 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.090 24.633 -7.356 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.671 23.493 -8.657 1.00 0.00 H new ATOM 898 N GLU A 56 -1.708 27.663 -9.356 1.00 0.00 N ATOM 899 CA GLU A 56 -0.696 28.505 -9.990 1.00 0.00 C ATOM 900 C GLU A 56 0.609 27.752 -10.134 1.00 0.00 C ATOM 901 O GLU A 56 1.502 27.833 -9.284 1.00 0.00 O ATOM 902 CB GLU A 56 -0.498 29.845 -9.283 1.00 0.00 C ATOM 903 CG GLU A 56 -1.717 30.733 -9.293 1.00 0.00 C ATOM 904 CD GLU A 56 -1.466 32.036 -8.597 1.00 0.00 C ATOM 905 OE1 GLU A 56 -1.828 32.174 -7.421 1.00 0.00 O ATOM 906 OE2 GLU A 56 -0.887 32.955 -9.219 1.00 0.00 O ATOM 0 H GLU A 56 -2.508 27.473 -9.960 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.068 28.749 -10.985 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.206 29.659 -8.249 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.328 30.375 -9.757 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.018 30.924 -10.323 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.546 30.217 -8.809 1.00 0.00 H new ATOM 913 N LEU A 57 0.693 26.989 -11.184 1.00 0.00 N ATOM 914 CA LEU A 57 1.828 26.137 -11.434 1.00 0.00 C ATOM 915 C LEU A 57 2.408 26.469 -12.793 1.00 0.00 C ATOM 916 O LEU A 57 2.002 27.456 -13.408 1.00 0.00 O ATOM 917 CB LEU A 57 1.386 24.694 -11.389 1.00 0.00 C ATOM 918 CG LEU A 57 0.683 24.231 -10.098 1.00 0.00 C ATOM 919 CD1 LEU A 57 0.247 22.788 -10.217 1.00 0.00 C ATOM 920 CD2 LEU A 57 1.584 24.412 -8.877 1.00 0.00 C ATOM 0 H LEU A 57 -0.030 26.937 -11.901 1.00 0.00 H new ATOM 0 HA LEU A 57 2.592 26.296 -10.673 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.712 24.517 -12.227 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.261 24.064 -11.546 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.200 24.855 -9.961 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.247 22.480 -9.296 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.446 22.685 -11.052 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.119 22.157 -10.389 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.058 24.076 -7.984 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.493 23.824 -9.005 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.845 25.465 -8.770 1.00 0.00 H new ATOM 932 N ASN A 58 3.344 25.677 -13.265 1.00 0.00 N ATOM 933 CA ASN A 58 3.947 25.915 -14.558 1.00 0.00 C ATOM 934 C ASN A 58 4.051 24.590 -15.319 1.00 0.00 C ATOM 935 O ASN A 58 4.312 23.556 -14.704 1.00 0.00 O ATOM 936 CB ASN A 58 5.351 26.510 -14.356 1.00 0.00 C ATOM 937 CG ASN A 58 5.989 26.957 -15.649 1.00 0.00 C ATOM 938 OD1 ASN A 58 6.669 26.191 -16.321 1.00 0.00 O ATOM 939 ND2 ASN A 58 5.743 28.176 -16.014 1.00 0.00 N ATOM 0 H ASN A 58 3.705 24.860 -12.772 1.00 0.00 H new ATOM 0 HA ASN A 58 3.336 26.612 -15.131 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.286 27.359 -13.676 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.990 25.767 -13.879 1.00 0.00 H new ATOM 0 HD21 ASN A 58 6.121 28.532 -16.892 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.171 28.780 -15.423 1.00 0.00 H new ATOM 946 N PRO A 59 3.856 24.593 -16.664 1.00 0.00 N ATOM 947 CA PRO A 59 3.966 23.380 -17.500 1.00 0.00 C ATOM 948 C PRO A 59 5.365 22.731 -17.452 1.00 0.00 C ATOM 949 O PRO A 59 5.510 21.525 -17.660 1.00 0.00 O ATOM 950 CB PRO A 59 3.665 23.883 -18.925 1.00 0.00 C ATOM 951 CG PRO A 59 3.835 25.363 -18.860 1.00 0.00 C ATOM 952 CD PRO A 59 3.450 25.759 -17.468 1.00 0.00 C ATOM 0 HA PRO A 59 3.286 22.604 -17.150 1.00 0.00 H new ATOM 0 HB2 PRO A 59 4.346 23.440 -19.651 1.00 0.00 H new ATOM 0 HB3 PRO A 59 2.654 23.616 -19.232 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.865 25.648 -19.077 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.205 25.861 -19.596 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.964 26.666 -17.150 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.381 25.953 -17.385 1.00 0.00 H new ATOM 960 N GLN A 60 6.381 23.516 -17.152 1.00 0.00 N ATOM 961 CA GLN A 60 7.737 22.997 -17.094 1.00 0.00 C ATOM 962 C GLN A 60 8.072 22.544 -15.681 1.00 0.00 C ATOM 963 O GLN A 60 9.131 21.961 -15.428 1.00 0.00 O ATOM 964 CB GLN A 60 8.740 24.052 -17.573 1.00 0.00 C ATOM 965 CG GLN A 60 8.487 24.538 -18.994 1.00 0.00 C ATOM 966 CD GLN A 60 8.550 23.418 -20.009 1.00 0.00 C ATOM 967 OE1 GLN A 60 7.551 22.765 -20.305 1.00 0.00 O ATOM 968 NE2 GLN A 60 9.711 23.179 -20.535 1.00 0.00 N ATOM 0 H GLN A 60 6.296 24.511 -16.945 1.00 0.00 H new ATOM 0 HA GLN A 60 7.804 22.135 -17.758 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.707 24.905 -16.896 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.746 23.637 -17.514 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.507 25.014 -19.043 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.224 25.299 -19.251 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.518 23.741 -20.266 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.817 22.429 -21.218 1.00 0.00 H new ATOM 977 N ASP A 61 7.159 22.784 -14.759 1.00 0.00 N ATOM 978 CA ASP A 61 7.388 22.426 -13.370 1.00 0.00 C ATOM 979 C ASP A 61 6.440 21.296 -12.980 1.00 0.00 C ATOM 980 O ASP A 61 6.347 20.897 -11.828 1.00 0.00 O ATOM 981 CB ASP A 61 7.208 23.653 -12.469 1.00 0.00 C ATOM 982 CG ASP A 61 8.075 23.601 -11.227 1.00 0.00 C ATOM 983 OD1 ASP A 61 7.574 23.758 -10.108 1.00 0.00 O ATOM 984 OD2 ASP A 61 9.308 23.470 -11.372 1.00 0.00 O ATOM 0 H ASP A 61 6.257 23.223 -14.944 1.00 0.00 H new ATOM 0 HA ASP A 61 8.412 22.076 -13.241 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.447 24.553 -13.036 1.00 0.00 H new ATOM 0 HB3 ASP A 61 6.162 23.731 -12.173 1.00 0.00 H new ATOM 989 N ILE A 62 5.775 20.752 -13.994 1.00 0.00 N ATOM 990 CA ILE A 62 4.860 19.618 -13.848 1.00 0.00 C ATOM 991 C ILE A 62 5.494 18.385 -13.156 1.00 0.00 C ATOM 992 O ILE A 62 4.913 17.870 -12.192 1.00 0.00 O ATOM 993 CB ILE A 62 4.222 19.203 -15.208 1.00 0.00 C ATOM 994 CG1 ILE A 62 3.287 20.316 -15.720 1.00 0.00 C ATOM 995 CG2 ILE A 62 3.490 17.840 -15.133 1.00 0.00 C ATOM 996 CD1 ILE A 62 2.160 20.702 -14.773 1.00 0.00 C ATOM 0 H ILE A 62 5.855 21.088 -14.954 1.00 0.00 H new ATOM 0 HA ILE A 62 4.073 19.980 -13.186 1.00 0.00 H new ATOM 0 HB ILE A 62 5.035 19.071 -15.922 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.885 21.203 -15.929 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.851 19.996 -16.666 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.065 17.601 -16.108 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.198 17.062 -14.845 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.692 17.896 -14.393 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.560 21.492 -15.225 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.531 19.832 -14.582 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.581 21.059 -13.833 1.00 0.00 H new ATOM 1008 N PRO A 63 6.725 17.913 -13.557 1.00 0.00 N ATOM 1009 CA PRO A 63 7.279 16.687 -12.992 1.00 0.00 C ATOM 1010 C PRO A 63 7.851 16.915 -11.608 1.00 0.00 C ATOM 1011 O PRO A 63 8.220 15.993 -10.896 1.00 0.00 O ATOM 1012 CB PRO A 63 8.361 16.304 -13.980 1.00 0.00 C ATOM 1013 CG PRO A 63 8.862 17.597 -14.514 1.00 0.00 C ATOM 1014 CD PRO A 63 7.679 18.528 -14.536 1.00 0.00 C ATOM 0 HA PRO A 63 6.528 15.909 -12.859 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.158 15.741 -13.495 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.965 15.674 -14.776 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.659 17.995 -13.886 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.277 17.471 -15.514 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.960 19.539 -14.241 1.00 0.00 H new ATOM 0 HD3 PRO A 63 7.242 18.597 -15.532 1.00 0.00 H new ATOM 1022 N LYS A 64 7.889 18.149 -11.247 1.00 0.00 N ATOM 1023 CA LYS A 64 8.371 18.570 -9.969 1.00 0.00 C ATOM 1024 C LYS A 64 7.268 18.406 -8.943 1.00 0.00 C ATOM 1025 O LYS A 64 7.520 18.136 -7.781 1.00 0.00 O ATOM 1026 CB LYS A 64 8.816 20.008 -10.065 1.00 0.00 C ATOM 1027 CG LYS A 64 9.832 20.285 -11.190 1.00 0.00 C ATOM 1028 CD LYS A 64 11.241 19.715 -10.952 1.00 0.00 C ATOM 1029 CE LYS A 64 11.357 18.239 -11.325 1.00 0.00 C ATOM 1030 NZ LYS A 64 12.700 17.686 -11.063 1.00 0.00 N ATOM 0 H LYS A 64 7.579 18.916 -11.843 1.00 0.00 H new ATOM 0 HA LYS A 64 9.221 17.962 -9.659 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.940 20.637 -10.220 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.257 20.304 -9.113 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.442 19.872 -12.120 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.912 21.363 -11.329 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.962 20.289 -11.534 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.506 19.841 -9.902 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.618 17.668 -10.763 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.118 18.116 -12.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.721 16.682 -11.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.406 18.210 -11.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.921 17.775 -10.051 1.00 0.00 H new ATOM 1044 N TYR A 65 6.040 18.547 -9.399 1.00 0.00 N ATOM 1045 CA TYR A 65 4.886 18.380 -8.557 1.00 0.00 C ATOM 1046 C TYR A 65 4.250 17.024 -8.751 1.00 0.00 C ATOM 1047 O TYR A 65 4.317 16.156 -7.889 1.00 0.00 O ATOM 1048 CB TYR A 65 3.843 19.453 -8.853 1.00 0.00 C ATOM 1049 CG TYR A 65 4.213 20.817 -8.386 1.00 0.00 C ATOM 1050 CD1 TYR A 65 4.614 21.799 -9.273 1.00 0.00 C ATOM 1051 CD2 TYR A 65 4.161 21.125 -7.045 1.00 0.00 C ATOM 1052 CE1 TYR A 65 4.955 23.054 -8.825 1.00 0.00 C ATOM 1053 CE2 TYR A 65 4.495 22.369 -6.591 1.00 0.00 C ATOM 1054 CZ TYR A 65 4.892 23.332 -7.482 1.00 0.00 C ATOM 1055 OH TYR A 65 5.241 24.577 -7.023 1.00 0.00 O ATOM 0 H TYR A 65 5.820 18.781 -10.367 1.00 0.00 H new ATOM 0 HA TYR A 65 5.229 18.469 -7.526 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.668 19.486 -9.928 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.901 19.165 -8.386 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.660 21.578 -10.329 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.850 20.369 -6.339 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.270 23.815 -9.524 1.00 0.00 H new ATOM 0 HE2 TYR A 65 4.447 22.593 -5.536 1.00 0.00 H new ATOM 0 HH TYR A 65 5.335 24.552 -6.048 1.00 0.00 H new ATOM 1065 N PHE A 66 3.707 16.830 -9.927 1.00 0.00 N ATOM 1066 CA PHE A 66 2.887 15.675 -10.245 1.00 0.00 C ATOM 1067 C PHE A 66 3.717 14.428 -10.490 1.00 0.00 C ATOM 1068 O PHE A 66 3.169 13.347 -10.705 1.00 0.00 O ATOM 1069 CB PHE A 66 2.017 15.966 -11.479 1.00 0.00 C ATOM 1070 CG PHE A 66 1.098 17.153 -11.327 1.00 0.00 C ATOM 1071 CD1 PHE A 66 1.465 18.399 -11.805 1.00 0.00 C ATOM 1072 CD2 PHE A 66 -0.127 17.019 -10.709 1.00 0.00 C ATOM 1073 CE1 PHE A 66 0.623 19.481 -11.667 1.00 0.00 C ATOM 1074 CE2 PHE A 66 -0.975 18.098 -10.567 1.00 0.00 C ATOM 1075 CZ PHE A 66 -0.600 19.330 -11.047 1.00 0.00 C ATOM 0 H PHE A 66 3.821 17.478 -10.707 1.00 0.00 H new ATOM 0 HA PHE A 66 2.253 15.485 -9.379 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.669 16.134 -12.337 1.00 0.00 H new ATOM 0 HB3 PHE A 66 1.417 15.084 -11.702 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.421 18.525 -12.291 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.428 16.054 -10.330 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.921 20.448 -12.045 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.931 17.975 -10.080 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.261 20.177 -10.939 1.00 0.00 H new