USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=12 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 25 TYR OH : rot 100:sc= 0.34 USER MOD Set 1.2: A 69 LYS NZ :NH3+ -136:sc= 0.00387 (180deg=-0.00759) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -178:sc= 0.824 (180deg=0.821) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -140:sc= -0.142 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 152:sc= -1.56! (180deg=-3.05!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 164:sc= -0.0256 (180deg=-0.257) USER MOD Single : A 44 SER OG : rot 58:sc= -0.104 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 123 N MET A 9 19.447 -10.117 2.324 1.00 0.00 N ATOM 124 CA MET A 9 19.746 -11.383 1.637 1.00 0.00 C ATOM 125 C MET A 9 20.868 -12.165 2.346 1.00 0.00 C ATOM 126 O MET A 9 21.898 -11.593 2.728 1.00 0.00 O ATOM 127 CB MET A 9 20.129 -11.120 0.158 1.00 0.00 C ATOM 128 CG MET A 9 18.976 -10.687 -0.763 1.00 0.00 C ATOM 129 SD MET A 9 18.189 -9.142 -0.257 1.00 0.00 S ATOM 130 CE MET A 9 16.909 -8.991 -1.507 1.00 0.00 C ATOM 0 HA MET A 9 18.844 -11.994 1.668 1.00 0.00 H new ATOM 0 HB2 MET A 9 20.899 -10.349 0.133 1.00 0.00 H new ATOM 0 HB3 MET A 9 20.574 -12.028 -0.250 1.00 0.00 H new ATOM 0 HG2 MET A 9 19.355 -10.576 -1.779 1.00 0.00 H new ATOM 0 HG3 MET A 9 18.225 -11.477 -0.787 1.00 0.00 H new ATOM 0 HE1 MET A 9 16.334 -8.082 -1.331 1.00 0.00 H new ATOM 0 HE2 MET A 9 17.368 -8.944 -2.494 1.00 0.00 H new ATOM 0 HE3 MET A 9 16.247 -9.855 -1.456 1.00 0.00 H new ATOM 140 N TYR A 10 20.628 -13.473 2.513 1.00 0.00 N ATOM 141 CA TYR A 10 21.567 -14.414 3.133 1.00 0.00 C ATOM 142 C TYR A 10 22.712 -14.715 2.170 1.00 0.00 C ATOM 143 O TYR A 10 22.523 -15.373 1.146 1.00 0.00 O ATOM 144 CB TYR A 10 20.829 -15.711 3.559 1.00 0.00 C ATOM 145 CG TYR A 10 19.888 -15.488 4.749 1.00 0.00 C ATOM 146 CD1 TYR A 10 18.660 -14.843 4.588 1.00 0.00 C ATOM 147 CD2 TYR A 10 20.245 -15.894 6.041 1.00 0.00 C ATOM 148 CE1 TYR A 10 17.828 -14.610 5.663 1.00 0.00 C ATOM 149 CE2 TYR A 10 19.411 -15.670 7.116 1.00 0.00 C ATOM 150 CZ TYR A 10 18.207 -15.026 6.923 1.00 0.00 C ATOM 151 OH TYR A 10 17.381 -14.794 7.996 1.00 0.00 O ATOM 0 H TYR A 10 19.758 -13.914 2.214 1.00 0.00 H new ATOM 0 HA TYR A 10 21.988 -13.963 4.031 1.00 0.00 H new ATOM 0 HB2 TYR A 10 20.256 -16.093 2.714 1.00 0.00 H new ATOM 0 HB3 TYR A 10 21.563 -16.474 3.818 1.00 0.00 H new ATOM 0 HD1 TYR A 10 18.356 -14.521 3.603 1.00 0.00 H new ATOM 0 HD2 TYR A 10 21.191 -16.392 6.198 1.00 0.00 H new ATOM 0 HE1 TYR A 10 16.884 -14.104 5.519 1.00 0.00 H new ATOM 0 HE2 TYR A 10 19.699 -15.997 8.104 1.00 0.00 H new ATOM 0 HH TYR A 10 17.794 -15.150 8.810 1.00 0.00 H new ATOM 161 N VAL A 11 23.889 -14.185 2.497 1.00 0.00 N ATOM 162 CA VAL A 11 25.078 -14.302 1.668 1.00 0.00 C ATOM 163 C VAL A 11 25.731 -15.682 1.878 1.00 0.00 C ATOM 164 O VAL A 11 26.006 -16.071 3.004 1.00 0.00 O ATOM 165 CB VAL A 11 26.077 -13.138 1.999 1.00 0.00 C ATOM 166 CG1 VAL A 11 27.345 -13.191 1.118 1.00 0.00 C ATOM 167 CG2 VAL A 11 25.372 -11.759 1.881 1.00 0.00 C ATOM 0 H VAL A 11 24.041 -13.657 3.356 1.00 0.00 H new ATOM 0 HA VAL A 11 24.800 -14.218 0.617 1.00 0.00 H new ATOM 0 HB VAL A 11 26.402 -13.273 3.031 1.00 0.00 H new ATOM 0 HG11 VAL A 11 28.007 -12.366 1.383 1.00 0.00 H new ATOM 0 HG12 VAL A 11 27.861 -14.137 1.280 1.00 0.00 H new ATOM 0 HG13 VAL A 11 27.063 -13.107 0.069 1.00 0.00 H new ATOM 0 HG21 VAL A 11 26.082 -10.966 2.115 1.00 0.00 H new ATOM 0 HG22 VAL A 11 25.001 -11.626 0.865 1.00 0.00 H new ATOM 0 HG23 VAL A 11 24.537 -11.716 2.581 1.00 0.00 H new ATOM 177 N PHE A 12 25.909 -16.436 0.783 1.00 0.00 N ATOM 178 CA PHE A 12 26.582 -17.745 0.782 1.00 0.00 C ATOM 179 C PHE A 12 27.979 -17.613 0.153 1.00 0.00 C ATOM 180 O PHE A 12 28.099 -17.182 -0.992 1.00 0.00 O ATOM 181 CB PHE A 12 25.737 -18.795 0.001 1.00 0.00 C ATOM 182 CG PHE A 12 24.421 -19.169 0.684 1.00 0.00 C ATOM 183 CD1 PHE A 12 23.281 -18.379 0.536 1.00 0.00 C ATOM 184 CD2 PHE A 12 24.327 -20.308 1.488 1.00 0.00 C ATOM 185 CE1 PHE A 12 22.098 -18.711 1.169 1.00 0.00 C ATOM 186 CE2 PHE A 12 23.143 -20.639 2.119 1.00 0.00 C ATOM 187 CZ PHE A 12 22.029 -19.840 1.961 1.00 0.00 C ATOM 0 H PHE A 12 25.585 -16.150 -0.141 1.00 0.00 H new ATOM 0 HA PHE A 12 26.685 -18.086 1.812 1.00 0.00 H new ATOM 0 HB2 PHE A 12 25.520 -18.404 -0.993 1.00 0.00 H new ATOM 0 HB3 PHE A 12 26.333 -19.697 -0.134 1.00 0.00 H new ATOM 0 HD1 PHE A 12 23.323 -17.495 -0.082 1.00 0.00 H new ATOM 0 HD2 PHE A 12 25.193 -20.940 1.618 1.00 0.00 H new ATOM 0 HE1 PHE A 12 21.226 -18.086 1.044 1.00 0.00 H new ATOM 0 HE2 PHE A 12 23.089 -21.524 2.736 1.00 0.00 H new ATOM 0 HZ PHE A 12 21.104 -20.097 2.456 1.00 0.00 H new ATOM 197 N LYS A 13 29.028 -17.990 0.906 1.00 0.00 N ATOM 198 CA LYS A 13 30.408 -18.053 0.403 1.00 0.00 C ATOM 199 C LYS A 13 30.568 -19.350 -0.413 1.00 0.00 C ATOM 200 O LYS A 13 31.012 -20.385 0.107 1.00 0.00 O ATOM 201 CB LYS A 13 31.417 -17.975 1.589 1.00 0.00 C ATOM 202 CG LYS A 13 32.909 -17.875 1.197 1.00 0.00 C ATOM 203 CD LYS A 13 33.221 -16.618 0.346 1.00 0.00 C ATOM 204 CE LYS A 13 34.723 -16.436 0.073 1.00 0.00 C ATOM 205 NZ LYS A 13 35.317 -17.603 -0.626 1.00 0.00 N ATOM 0 H LYS A 13 28.939 -18.261 1.885 1.00 0.00 H new ATOM 0 HA LYS A 13 30.621 -17.204 -0.247 1.00 0.00 H new ATOM 0 HB2 LYS A 13 31.163 -17.110 2.201 1.00 0.00 H new ATOM 0 HB3 LYS A 13 31.283 -18.858 2.214 1.00 0.00 H new ATOM 0 HG2 LYS A 13 33.517 -17.857 2.101 1.00 0.00 H new ATOM 0 HG3 LYS A 13 33.194 -18.767 0.639 1.00 0.00 H new ATOM 0 HD2 LYS A 13 32.690 -16.688 -0.604 1.00 0.00 H new ATOM 0 HD3 LYS A 13 32.841 -15.735 0.859 1.00 0.00 H new ATOM 0 HE2 LYS A 13 34.874 -15.540 -0.529 1.00 0.00 H new ATOM 0 HE3 LYS A 13 35.244 -16.277 1.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 36.337 -17.447 -0.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 35.168 -18.461 -0.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 34.863 -17.720 -1.554 1.00 0.00 H new ATOM 219 N GLY A 14 30.107 -19.294 -1.670 1.00 0.00 N ATOM 220 CA GLY A 14 30.146 -20.435 -2.579 1.00 0.00 C ATOM 221 C GLY A 14 29.194 -21.559 -2.161 1.00 0.00 C ATOM 222 O GLY A 14 27.998 -21.510 -2.463 1.00 0.00 O ATOM 0 H GLY A 14 29.698 -18.454 -2.080 1.00 0.00 H new ATOM 0 HA2 GLY A 14 29.888 -20.102 -3.584 1.00 0.00 H new ATOM 0 HA3 GLY A 14 31.163 -20.824 -2.623 1.00 0.00 H new ATOM 226 N GLU A 15 29.732 -22.556 -1.432 1.00 0.00 N ATOM 227 CA GLU A 15 28.999 -23.787 -1.048 1.00 0.00 C ATOM 228 C GLU A 15 28.568 -23.769 0.438 1.00 0.00 C ATOM 229 O GLU A 15 27.960 -24.737 0.926 1.00 0.00 O ATOM 230 CB GLU A 15 29.903 -25.023 -1.318 1.00 0.00 C ATOM 231 CG GLU A 15 30.414 -25.155 -2.771 1.00 0.00 C ATOM 232 CD GLU A 15 29.284 -25.305 -3.808 1.00 0.00 C ATOM 233 OE1 GLU A 15 28.747 -26.429 -3.957 1.00 0.00 O ATOM 234 OE2 GLU A 15 28.925 -24.309 -4.478 1.00 0.00 O ATOM 0 H GLU A 15 30.692 -22.534 -1.089 1.00 0.00 H new ATOM 0 HA GLU A 15 28.091 -23.840 -1.649 1.00 0.00 H new ATOM 0 HB2 GLU A 15 30.763 -24.978 -0.649 1.00 0.00 H new ATOM 0 HB3 GLU A 15 29.346 -25.924 -1.062 1.00 0.00 H new ATOM 0 HG2 GLU A 15 31.010 -24.277 -3.019 1.00 0.00 H new ATOM 0 HG3 GLU A 15 31.075 -26.019 -2.838 1.00 0.00 H new ATOM 241 N GLU A 16 28.896 -22.678 1.153 1.00 0.00 N ATOM 242 CA GLU A 16 28.634 -22.553 2.604 1.00 0.00 C ATOM 243 C GLU A 16 27.961 -21.212 2.912 1.00 0.00 C ATOM 244 O GLU A 16 28.182 -20.227 2.209 1.00 0.00 O ATOM 245 CB GLU A 16 29.967 -22.709 3.391 1.00 0.00 C ATOM 246 CG GLU A 16 31.043 -21.652 3.061 1.00 0.00 C ATOM 247 CD GLU A 16 32.437 -22.003 3.612 1.00 0.00 C ATOM 248 OE1 GLU A 16 32.678 -21.810 4.819 1.00 0.00 O ATOM 249 OE2 GLU A 16 33.303 -22.473 2.835 1.00 0.00 O ATOM 0 H GLU A 16 29.349 -21.859 0.746 1.00 0.00 H new ATOM 0 HA GLU A 16 27.953 -23.344 2.917 1.00 0.00 H new ATOM 0 HB2 GLU A 16 29.750 -22.664 4.458 1.00 0.00 H new ATOM 0 HB3 GLU A 16 30.377 -23.699 3.190 1.00 0.00 H new ATOM 0 HG2 GLU A 16 31.107 -21.536 1.979 1.00 0.00 H new ATOM 0 HG3 GLU A 16 30.732 -20.689 3.467 1.00 0.00 H new ATOM 256 N SER A 17 27.125 -21.192 3.965 1.00 0.00 N ATOM 257 CA SER A 17 26.443 -19.975 4.436 1.00 0.00 C ATOM 258 C SER A 17 27.460 -19.037 5.113 1.00 0.00 C ATOM 259 O SER A 17 28.007 -19.360 6.176 1.00 0.00 O ATOM 260 CB SER A 17 25.286 -20.341 5.402 1.00 0.00 C ATOM 261 OG SER A 17 24.562 -19.189 5.809 1.00 0.00 O ATOM 0 H SER A 17 26.903 -22.022 4.514 1.00 0.00 H new ATOM 0 HA SER A 17 26.009 -19.454 3.583 1.00 0.00 H new ATOM 0 HB2 SER A 17 24.610 -21.042 4.912 1.00 0.00 H new ATOM 0 HB3 SER A 17 25.690 -20.847 6.279 1.00 0.00 H new ATOM 0 HG SER A 17 23.839 -19.454 6.415 1.00 0.00 H new ATOM 267 N PHE A 18 27.724 -17.894 4.467 1.00 0.00 N ATOM 268 CA PHE A 18 28.678 -16.892 4.958 1.00 0.00 C ATOM 269 C PHE A 18 28.025 -16.080 6.098 1.00 0.00 C ATOM 270 O PHE A 18 28.533 -16.048 7.221 1.00 0.00 O ATOM 271 CB PHE A 18 29.105 -15.977 3.775 1.00 0.00 C ATOM 272 CG PHE A 18 30.201 -14.960 4.082 1.00 0.00 C ATOM 273 CD1 PHE A 18 31.404 -15.362 4.657 1.00 0.00 C ATOM 274 CD2 PHE A 18 30.036 -13.607 3.783 1.00 0.00 C ATOM 275 CE1 PHE A 18 32.397 -14.447 4.931 1.00 0.00 C ATOM 276 CE2 PHE A 18 31.032 -12.691 4.057 1.00 0.00 C ATOM 277 CZ PHE A 18 32.211 -13.116 4.631 1.00 0.00 C ATOM 0 H PHE A 18 27.280 -17.637 3.585 1.00 0.00 H new ATOM 0 HA PHE A 18 29.570 -17.374 5.357 1.00 0.00 H new ATOM 0 HB2 PHE A 18 29.443 -16.610 2.955 1.00 0.00 H new ATOM 0 HB3 PHE A 18 28.226 -15.439 3.421 1.00 0.00 H new ATOM 0 HD1 PHE A 18 31.561 -16.405 4.891 1.00 0.00 H new ATOM 0 HD2 PHE A 18 29.115 -13.271 3.330 1.00 0.00 H new ATOM 0 HE1 PHE A 18 33.322 -14.774 5.382 1.00 0.00 H new ATOM 0 HE2 PHE A 18 30.888 -11.647 3.823 1.00 0.00 H new ATOM 0 HZ PHE A 18 32.992 -12.402 4.846 1.00 0.00 H new ATOM 287 N GLY A 19 26.868 -15.483 5.793 1.00 0.00 N ATOM 288 CA GLY A 19 26.115 -14.665 6.742 1.00 0.00 C ATOM 289 C GLY A 19 24.892 -14.067 6.077 1.00 0.00 C ATOM 290 O GLY A 19 24.261 -14.721 5.243 1.00 0.00 O ATOM 0 H GLY A 19 26.428 -15.556 4.876 1.00 0.00 H new ATOM 0 HA2 GLY A 19 25.812 -15.273 7.594 1.00 0.00 H new ATOM 0 HA3 GLY A 19 26.751 -13.869 7.129 1.00 0.00 H new ATOM 294 N GLU A 20 24.556 -12.820 6.443 1.00 0.00 N ATOM 295 CA GLU A 20 23.502 -12.035 5.778 1.00 0.00 C ATOM 296 C GLU A 20 23.857 -10.539 5.830 1.00 0.00 C ATOM 297 O GLU A 20 24.567 -10.079 6.738 1.00 0.00 O ATOM 298 CB GLU A 20 22.063 -12.327 6.354 1.00 0.00 C ATOM 299 CG GLU A 20 21.991 -12.849 7.810 1.00 0.00 C ATOM 300 CD GLU A 20 22.565 -11.890 8.867 1.00 0.00 C ATOM 301 OE1 GLU A 20 21.874 -10.913 9.240 1.00 0.00 O ATOM 302 OE2 GLU A 20 23.687 -12.135 9.358 1.00 0.00 O ATOM 0 H GLU A 20 25.009 -12.325 7.211 1.00 0.00 H new ATOM 0 HA GLU A 20 23.460 -12.347 4.734 1.00 0.00 H new ATOM 0 HB2 GLU A 20 21.479 -11.409 6.292 1.00 0.00 H new ATOM 0 HB3 GLU A 20 21.579 -13.057 5.706 1.00 0.00 H new ATOM 0 HG2 GLU A 20 20.950 -13.057 8.056 1.00 0.00 H new ATOM 0 HG3 GLU A 20 22.528 -13.796 7.869 1.00 0.00 H new ATOM 309 N SER A 21 23.367 -9.803 4.824 1.00 0.00 N ATOM 310 CA SER A 21 23.623 -8.367 4.662 1.00 0.00 C ATOM 311 C SER A 21 22.862 -7.547 5.726 1.00 0.00 C ATOM 312 O SER A 21 21.756 -7.918 6.128 1.00 0.00 O ATOM 313 CB SER A 21 23.208 -7.925 3.243 1.00 0.00 C ATOM 314 OG SER A 21 23.450 -6.545 3.028 1.00 0.00 O ATOM 0 H SER A 21 22.775 -10.193 4.091 1.00 0.00 H new ATOM 0 HA SER A 21 24.689 -8.184 4.799 1.00 0.00 H new ATOM 0 HB2 SER A 21 23.758 -8.509 2.505 1.00 0.00 H new ATOM 0 HB3 SER A 21 22.149 -8.136 3.092 1.00 0.00 H new ATOM 0 HG SER A 21 22.708 -6.158 2.518 1.00 0.00 H new ATOM 320 N ILE A 22 23.467 -6.426 6.153 1.00 0.00 N ATOM 321 CA ILE A 22 22.906 -5.521 7.179 1.00 0.00 C ATOM 322 C ILE A 22 22.906 -4.072 6.641 1.00 0.00 C ATOM 323 O ILE A 22 21.946 -3.315 6.872 1.00 0.00 O ATOM 324 CB ILE A 22 23.706 -5.667 8.549 1.00 0.00 C ATOM 325 CG1 ILE A 22 23.119 -4.781 9.719 1.00 0.00 C ATOM 326 CG2 ILE A 22 25.222 -5.422 8.359 1.00 0.00 C ATOM 327 CD1 ILE A 22 23.649 -3.352 9.832 1.00 0.00 C ATOM 0 H ILE A 22 24.370 -6.116 5.793 1.00 0.00 H new ATOM 0 HA ILE A 22 21.873 -5.795 7.392 1.00 0.00 H new ATOM 0 HB ILE A 22 23.570 -6.703 8.859 1.00 0.00 H new ATOM 0 HG12 ILE A 22 22.037 -4.734 9.599 1.00 0.00 H new ATOM 0 HG13 ILE A 22 23.313 -5.291 10.662 1.00 0.00 H new ATOM 0 HG21 ILE A 22 25.731 -5.531 9.317 1.00 0.00 H new ATOM 0 HG22 ILE A 22 25.622 -6.148 7.651 1.00 0.00 H new ATOM 0 HG23 ILE A 22 25.382 -4.414 7.975 1.00 0.00 H new ATOM 0 HD11 ILE A 22 23.168 -2.851 10.672 1.00 0.00 H new ATOM 0 HD12 ILE A 22 24.727 -3.375 9.992 1.00 0.00 H new ATOM 0 HD13 ILE A 22 23.430 -2.809 8.913 1.00 0.00 H new ATOM 339 N ASP A 23 23.967 -3.705 5.889 1.00 0.00 N ATOM 340 CA ASP A 23 24.172 -2.316 5.415 1.00 0.00 C ATOM 341 C ASP A 23 24.949 -2.332 4.078 1.00 0.00 C ATOM 342 O ASP A 23 25.371 -3.403 3.621 1.00 0.00 O ATOM 343 CB ASP A 23 24.921 -1.509 6.522 1.00 0.00 C ATOM 344 CG ASP A 23 24.998 0.018 6.286 1.00 0.00 C ATOM 345 OD1 ASP A 23 24.095 0.751 6.740 1.00 0.00 O ATOM 346 OD2 ASP A 23 25.985 0.491 5.679 1.00 0.00 O ATOM 0 H ASP A 23 24.698 -4.353 5.596 1.00 0.00 H new ATOM 0 HA ASP A 23 23.215 -1.828 5.229 1.00 0.00 H new ATOM 0 HB2 ASP A 23 24.427 -1.688 7.477 1.00 0.00 H new ATOM 0 HB3 ASP A 23 25.935 -1.899 6.610 1.00 0.00 H new ATOM 351 N VAL A 24 25.098 -1.160 3.439 1.00 0.00 N ATOM 352 CA VAL A 24 25.956 -0.981 2.261 1.00 0.00 C ATOM 353 C VAL A 24 26.376 0.501 2.149 1.00 0.00 C ATOM 354 O VAL A 24 25.543 1.403 2.317 1.00 0.00 O ATOM 355 CB VAL A 24 25.264 -1.476 0.925 1.00 0.00 C ATOM 356 CG1 VAL A 24 23.947 -0.707 0.625 1.00 0.00 C ATOM 357 CG2 VAL A 24 26.252 -1.411 -0.272 1.00 0.00 C ATOM 0 H VAL A 24 24.622 -0.306 3.729 1.00 0.00 H new ATOM 0 HA VAL A 24 26.842 -1.602 2.395 1.00 0.00 H new ATOM 0 HB VAL A 24 24.987 -2.520 1.073 1.00 0.00 H new ATOM 0 HG11 VAL A 24 23.510 -1.082 -0.300 1.00 0.00 H new ATOM 0 HG12 VAL A 24 23.244 -0.856 1.445 1.00 0.00 H new ATOM 0 HG13 VAL A 24 24.162 0.356 0.520 1.00 0.00 H new ATOM 0 HG21 VAL A 24 25.751 -1.756 -1.176 1.00 0.00 H new ATOM 0 HG22 VAL A 24 26.586 -0.383 -0.412 1.00 0.00 H new ATOM 0 HG23 VAL A 24 27.113 -2.048 -0.068 1.00 0.00 H new ATOM 367 N TYR A 25 27.674 0.745 1.898 1.00 0.00 N ATOM 368 CA TYR A 25 28.200 2.090 1.605 1.00 0.00 C ATOM 369 C TYR A 25 29.138 1.998 0.382 1.00 0.00 C ATOM 370 O TYR A 25 30.073 1.176 0.361 1.00 0.00 O ATOM 371 CB TYR A 25 28.913 2.712 2.858 1.00 0.00 C ATOM 372 CG TYR A 25 30.314 2.156 3.173 1.00 0.00 C ATOM 373 CD1 TYR A 25 30.491 0.858 3.644 1.00 0.00 C ATOM 374 CD2 TYR A 25 31.465 2.924 2.969 1.00 0.00 C ATOM 375 CE1 TYR A 25 31.752 0.349 3.894 1.00 0.00 C ATOM 376 CE2 TYR A 25 32.727 2.412 3.211 1.00 0.00 C ATOM 377 CZ TYR A 25 32.864 1.124 3.679 1.00 0.00 C ATOM 378 OH TYR A 25 34.119 0.598 3.912 1.00 0.00 O ATOM 0 H TYR A 25 28.388 0.016 1.892 1.00 0.00 H new ATOM 0 HA TYR A 25 27.377 2.763 1.366 1.00 0.00 H new ATOM 0 HB2 TYR A 25 28.994 3.789 2.710 1.00 0.00 H new ATOM 0 HB3 TYR A 25 28.277 2.558 3.729 1.00 0.00 H new ATOM 0 HD1 TYR A 25 29.626 0.236 3.818 1.00 0.00 H new ATOM 0 HD2 TYR A 25 31.366 3.939 2.615 1.00 0.00 H new ATOM 0 HE1 TYR A 25 31.862 -0.661 4.259 1.00 0.00 H new ATOM 0 HE2 TYR A 25 33.602 3.020 3.034 1.00 0.00 H new ATOM 0 HH TYR A 25 34.520 0.319 3.062 1.00 0.00 H new ATOM 388 N GLY A 26 28.853 2.816 -0.646 1.00 0.00 N ATOM 389 CA GLY A 26 29.647 2.852 -1.879 1.00 0.00 C ATOM 390 C GLY A 26 29.682 1.512 -2.619 1.00 0.00 C ATOM 391 O GLY A 26 28.671 1.078 -3.183 1.00 0.00 O ATOM 0 H GLY A 26 28.068 3.467 -0.643 1.00 0.00 H new ATOM 0 HA2 GLY A 26 29.239 3.615 -2.543 1.00 0.00 H new ATOM 0 HA3 GLY A 26 30.667 3.152 -1.637 1.00 0.00 H new ATOM 395 N ASP A 27 30.844 0.840 -2.554 1.00 0.00 N ATOM 396 CA ASP A 27 31.102 -0.434 -3.256 1.00 0.00 C ATOM 397 C ASP A 27 31.027 -1.638 -2.294 1.00 0.00 C ATOM 398 O ASP A 27 31.036 -2.797 -2.727 1.00 0.00 O ATOM 399 CB ASP A 27 32.503 -0.361 -3.918 1.00 0.00 C ATOM 400 CG ASP A 27 32.883 -1.608 -4.746 1.00 0.00 C ATOM 401 OD1 ASP A 27 32.306 -1.806 -5.834 1.00 0.00 O ATOM 402 OD2 ASP A 27 33.791 -2.369 -4.332 1.00 0.00 O ATOM 0 H ASP A 27 31.640 1.168 -2.007 1.00 0.00 H new ATOM 0 HA ASP A 27 30.334 -0.580 -4.015 1.00 0.00 H new ATOM 0 HB2 ASP A 27 32.540 0.515 -4.565 1.00 0.00 H new ATOM 0 HB3 ASP A 27 33.252 -0.215 -3.140 1.00 0.00 H new ATOM 407 N TYR A 28 30.944 -1.375 -0.986 1.00 0.00 N ATOM 408 CA TYR A 28 31.093 -2.420 0.035 1.00 0.00 C ATOM 409 C TYR A 28 29.763 -2.744 0.722 1.00 0.00 C ATOM 410 O TYR A 28 29.230 -1.941 1.498 1.00 0.00 O ATOM 411 CB TYR A 28 32.185 -2.010 1.037 1.00 0.00 C ATOM 412 CG TYR A 28 33.547 -1.860 0.359 1.00 0.00 C ATOM 413 CD1 TYR A 28 34.274 -2.991 -0.036 1.00 0.00 C ATOM 414 CD2 TYR A 28 34.088 -0.608 0.074 1.00 0.00 C ATOM 415 CE1 TYR A 28 35.489 -2.870 -0.675 1.00 0.00 C ATOM 416 CE2 TYR A 28 35.298 -0.484 -0.573 1.00 0.00 C ATOM 417 CZ TYR A 28 35.999 -1.617 -0.940 1.00 0.00 C ATOM 418 OH TYR A 28 37.214 -1.492 -1.578 1.00 0.00 O ATOM 0 H TYR A 28 30.774 -0.443 -0.607 1.00 0.00 H new ATOM 0 HA TYR A 28 31.406 -3.343 -0.453 1.00 0.00 H new ATOM 0 HB2 TYR A 28 31.909 -1.068 1.511 1.00 0.00 H new ATOM 0 HB3 TYR A 28 32.252 -2.757 1.828 1.00 0.00 H new ATOM 0 HD1 TYR A 28 33.875 -3.975 0.164 1.00 0.00 H new ATOM 0 HD2 TYR A 28 33.549 0.281 0.366 1.00 0.00 H new ATOM 0 HE1 TYR A 28 36.039 -3.753 -0.967 1.00 0.00 H new ATOM 0 HE2 TYR A 28 35.697 0.495 -0.793 1.00 0.00 H new ATOM 0 HH TYR A 28 37.429 -0.542 -1.690 1.00 0.00 H new ATOM 428 N LEU A 29 29.241 -3.939 0.393 1.00 0.00 N ATOM 429 CA LEU A 29 28.055 -4.526 1.015 1.00 0.00 C ATOM 430 C LEU A 29 28.458 -5.098 2.380 1.00 0.00 C ATOM 431 O LEU A 29 29.210 -6.084 2.446 1.00 0.00 O ATOM 432 CB LEU A 29 27.473 -5.653 0.106 1.00 0.00 C ATOM 433 CG LEU A 29 26.144 -6.307 0.597 1.00 0.00 C ATOM 434 CD1 LEU A 29 24.948 -5.344 0.416 1.00 0.00 C ATOM 435 CD2 LEU A 29 25.887 -7.670 -0.096 1.00 0.00 C ATOM 0 H LEU A 29 29.647 -4.532 -0.331 1.00 0.00 H new ATOM 0 HA LEU A 29 27.286 -3.765 1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 29 27.306 -5.241 -0.889 1.00 0.00 H new ATOM 0 HB3 LEU A 29 28.225 -6.436 0.005 1.00 0.00 H new ATOM 0 HG LEU A 29 26.250 -6.505 1.664 1.00 0.00 H new ATOM 0 HD11 LEU A 29 24.036 -5.827 0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 29 25.122 -4.435 0.992 1.00 0.00 H new ATOM 0 HD13 LEU A 29 24.842 -5.090 -0.639 1.00 0.00 H new ATOM 0 HD21 LEU A 29 24.953 -8.095 0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 29 25.820 -7.523 -1.174 1.00 0.00 H new ATOM 0 HD23 LEU A 29 26.708 -8.352 0.127 1.00 0.00 H new ATOM 447 N ILE A 30 28.002 -4.443 3.459 1.00 0.00 N ATOM 448 CA ILE A 30 28.307 -4.867 4.833 1.00 0.00 C ATOM 449 C ILE A 30 27.524 -6.149 5.151 1.00 0.00 C ATOM 450 O ILE A 30 26.309 -6.099 5.400 1.00 0.00 O ATOM 451 CB ILE A 30 27.967 -3.759 5.907 1.00 0.00 C ATOM 452 CG1 ILE A 30 28.522 -2.369 5.478 1.00 0.00 C ATOM 453 CG2 ILE A 30 28.505 -4.157 7.310 1.00 0.00 C ATOM 454 CD1 ILE A 30 30.019 -2.318 5.318 1.00 0.00 C ATOM 0 H ILE A 30 27.416 -3.610 3.404 1.00 0.00 H new ATOM 0 HA ILE A 30 29.381 -5.045 4.888 1.00 0.00 H new ATOM 0 HB ILE A 30 26.881 -3.683 5.969 1.00 0.00 H new ATOM 0 HG12 ILE A 30 28.058 -2.082 4.534 1.00 0.00 H new ATOM 0 HG13 ILE A 30 28.223 -1.628 6.219 1.00 0.00 H new ATOM 0 HG21 ILE A 30 28.257 -3.377 8.030 1.00 0.00 H new ATOM 0 HG22 ILE A 30 28.048 -5.096 7.622 1.00 0.00 H new ATOM 0 HG23 ILE A 30 29.587 -4.277 7.264 1.00 0.00 H new ATOM 0 HD11 ILE A 30 30.319 -1.314 5.018 1.00 0.00 H new ATOM 0 HD12 ILE A 30 30.495 -2.571 6.265 1.00 0.00 H new ATOM 0 HD13 ILE A 30 30.328 -3.032 4.555 1.00 0.00 H new ATOM 466 N VAL A 31 28.220 -7.291 5.054 1.00 0.00 N ATOM 467 CA VAL A 31 27.693 -8.601 5.432 1.00 0.00 C ATOM 468 C VAL A 31 28.148 -8.914 6.862 1.00 0.00 C ATOM 469 O VAL A 31 29.346 -9.097 7.106 1.00 0.00 O ATOM 470 CB VAL A 31 28.195 -9.729 4.459 1.00 0.00 C ATOM 471 CG1 VAL A 31 27.545 -11.092 4.804 1.00 0.00 C ATOM 472 CG2 VAL A 31 27.960 -9.331 2.981 1.00 0.00 C ATOM 0 H VAL A 31 29.178 -7.326 4.705 1.00 0.00 H new ATOM 0 HA VAL A 31 26.605 -8.573 5.370 1.00 0.00 H new ATOM 0 HB VAL A 31 29.270 -9.843 4.595 1.00 0.00 H new ATOM 0 HG11 VAL A 31 27.910 -11.854 4.115 1.00 0.00 H new ATOM 0 HG12 VAL A 31 27.805 -11.371 5.825 1.00 0.00 H new ATOM 0 HG13 VAL A 31 26.462 -11.011 4.715 1.00 0.00 H new ATOM 0 HG21 VAL A 31 28.316 -10.128 2.328 1.00 0.00 H new ATOM 0 HG22 VAL A 31 26.895 -9.172 2.812 1.00 0.00 H new ATOM 0 HG23 VAL A 31 28.503 -8.412 2.761 1.00 0.00 H new ATOM 482 N LYS A 32 27.203 -8.963 7.804 1.00 0.00 N ATOM 483 CA LYS A 32 27.510 -9.254 9.213 1.00 0.00 C ATOM 484 C LYS A 32 27.529 -10.775 9.382 1.00 0.00 C ATOM 485 O LYS A 32 26.488 -11.425 9.239 1.00 0.00 O ATOM 486 CB LYS A 32 26.467 -8.566 10.147 1.00 0.00 C ATOM 487 CG LYS A 32 26.839 -8.500 11.663 1.00 0.00 C ATOM 488 CD LYS A 32 26.784 -9.844 12.441 1.00 0.00 C ATOM 489 CE LYS A 32 25.359 -10.374 12.716 1.00 0.00 C ATOM 490 NZ LYS A 32 24.541 -10.593 11.492 1.00 0.00 N ATOM 0 H LYS A 32 26.213 -8.804 7.618 1.00 0.00 H new ATOM 0 HA LYS A 32 28.484 -8.854 9.493 1.00 0.00 H new ATOM 0 HB2 LYS A 32 26.304 -7.549 9.789 1.00 0.00 H new ATOM 0 HB3 LYS A 32 25.518 -9.094 10.049 1.00 0.00 H new ATOM 0 HG2 LYS A 32 27.847 -8.094 11.751 1.00 0.00 H new ATOM 0 HG3 LYS A 32 26.167 -7.794 12.151 1.00 0.00 H new ATOM 0 HD2 LYS A 32 27.334 -10.597 11.877 1.00 0.00 H new ATOM 0 HD3 LYS A 32 27.300 -9.718 13.393 1.00 0.00 H new ATOM 0 HE2 LYS A 32 25.433 -11.314 13.263 1.00 0.00 H new ATOM 0 HE3 LYS A 32 24.840 -9.668 13.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 23.845 -11.345 11.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 24.045 -9.713 11.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 25.161 -10.874 10.706 1.00 0.00 H new ATOM 504 N VAL A 33 28.708 -11.337 9.684 1.00 0.00 N ATOM 505 CA VAL A 33 28.893 -12.783 9.847 1.00 0.00 C ATOM 506 C VAL A 33 29.106 -13.140 11.345 1.00 0.00 C ATOM 507 O VAL A 33 30.232 -13.172 11.862 1.00 0.00 O ATOM 508 CB VAL A 33 30.040 -13.315 8.889 1.00 0.00 C ATOM 509 CG1 VAL A 33 29.648 -13.055 7.418 1.00 0.00 C ATOM 510 CG2 VAL A 33 31.419 -12.680 9.176 1.00 0.00 C ATOM 0 H VAL A 33 29.563 -10.798 9.822 1.00 0.00 H new ATOM 0 HA VAL A 33 27.986 -13.303 9.540 1.00 0.00 H new ATOM 0 HB VAL A 33 30.139 -14.384 9.079 1.00 0.00 H new ATOM 0 HG11 VAL A 33 30.437 -13.421 6.761 1.00 0.00 H new ATOM 0 HG12 VAL A 33 28.717 -13.575 7.192 1.00 0.00 H new ATOM 0 HG13 VAL A 33 29.513 -11.985 7.261 1.00 0.00 H new ATOM 0 HG21 VAL A 33 32.158 -13.087 8.486 1.00 0.00 H new ATOM 0 HG22 VAL A 33 31.357 -11.600 9.045 1.00 0.00 H new ATOM 0 HG23 VAL A 33 31.717 -12.904 10.200 1.00 0.00 H new ATOM 520 N GLY A 34 27.971 -13.344 12.045 1.00 0.00 N ATOM 521 CA GLY A 34 27.958 -13.749 13.457 1.00 0.00 C ATOM 522 C GLY A 34 28.417 -12.644 14.410 1.00 0.00 C ATOM 523 O GLY A 34 27.598 -11.859 14.897 1.00 0.00 O ATOM 0 H GLY A 34 27.040 -13.231 11.643 1.00 0.00 H new ATOM 0 HA2 GLY A 34 26.949 -14.058 13.730 1.00 0.00 H new ATOM 0 HA3 GLY A 34 28.602 -14.619 13.584 1.00 0.00 H new ATOM 527 N THR A 35 29.730 -12.585 14.672 1.00 0.00 N ATOM 528 CA THR A 35 30.337 -11.572 15.558 1.00 0.00 C ATOM 529 C THR A 35 31.005 -10.450 14.736 1.00 0.00 C ATOM 530 O THR A 35 31.216 -9.347 15.239 1.00 0.00 O ATOM 531 CB THR A 35 31.375 -12.233 16.546 1.00 0.00 C ATOM 532 OG1 THR A 35 31.889 -11.258 17.471 1.00 0.00 O ATOM 533 CG2 THR A 35 32.555 -12.912 15.822 1.00 0.00 C ATOM 0 H THR A 35 30.406 -13.238 14.276 1.00 0.00 H new ATOM 0 HA THR A 35 29.539 -11.128 16.153 1.00 0.00 H new ATOM 0 HB THR A 35 30.826 -13.008 17.081 1.00 0.00 H new ATOM 0 HG1 THR A 35 32.530 -11.687 18.076 1.00 0.00 H new ATOM 0 HG21 THR A 35 33.232 -13.347 16.558 1.00 0.00 H new ATOM 0 HG22 THR A 35 32.177 -13.698 15.168 1.00 0.00 H new ATOM 0 HG23 THR A 35 33.092 -12.172 15.228 1.00 0.00 H new ATOM 541 N GLU A 36 31.249 -10.711 13.436 1.00 0.00 N ATOM 542 CA GLU A 36 32.118 -9.866 12.582 1.00 0.00 C ATOM 543 C GLU A 36 31.293 -9.098 11.541 1.00 0.00 C ATOM 544 O GLU A 36 30.136 -9.432 11.280 1.00 0.00 O ATOM 545 CB GLU A 36 33.162 -10.768 11.853 1.00 0.00 C ATOM 546 CG GLU A 36 34.080 -11.604 12.773 1.00 0.00 C ATOM 547 CD GLU A 36 35.132 -10.777 13.545 1.00 0.00 C ATOM 548 OE1 GLU A 36 34.763 -10.050 14.499 1.00 0.00 O ATOM 549 OE2 GLU A 36 36.336 -10.878 13.219 1.00 0.00 O ATOM 0 H GLU A 36 30.851 -11.512 12.946 1.00 0.00 H new ATOM 0 HA GLU A 36 32.626 -9.142 13.219 1.00 0.00 H new ATOM 0 HB2 GLU A 36 32.628 -11.447 11.189 1.00 0.00 H new ATOM 0 HB3 GLU A 36 33.788 -10.134 11.225 1.00 0.00 H new ATOM 0 HG2 GLU A 36 33.461 -12.143 13.490 1.00 0.00 H new ATOM 0 HG3 GLU A 36 34.595 -12.352 12.170 1.00 0.00 H new ATOM 556 N PHE A 37 31.907 -8.052 10.966 1.00 0.00 N ATOM 557 CA PHE A 37 31.363 -7.311 9.817 1.00 0.00 C ATOM 558 C PHE A 37 32.385 -7.388 8.671 1.00 0.00 C ATOM 559 O PHE A 37 33.469 -6.793 8.744 1.00 0.00 O ATOM 560 CB PHE A 37 31.067 -5.831 10.194 1.00 0.00 C ATOM 561 CG PHE A 37 29.935 -5.636 11.215 1.00 0.00 C ATOM 562 CD1 PHE A 37 30.158 -5.801 12.583 1.00 0.00 C ATOM 563 CD2 PHE A 37 28.654 -5.260 10.806 1.00 0.00 C ATOM 564 CE1 PHE A 37 29.138 -5.604 13.499 1.00 0.00 C ATOM 565 CE2 PHE A 37 27.637 -5.058 11.723 1.00 0.00 C ATOM 566 CZ PHE A 37 27.880 -5.228 13.071 1.00 0.00 C ATOM 0 H PHE A 37 32.805 -7.693 11.289 1.00 0.00 H new ATOM 0 HA PHE A 37 30.418 -7.756 9.506 1.00 0.00 H new ATOM 0 HB2 PHE A 37 31.977 -5.384 10.593 1.00 0.00 H new ATOM 0 HB3 PHE A 37 30.815 -5.284 9.286 1.00 0.00 H new ATOM 0 HD1 PHE A 37 31.139 -6.086 12.932 1.00 0.00 H new ATOM 0 HD2 PHE A 37 28.453 -5.124 9.754 1.00 0.00 H new ATOM 0 HE1 PHE A 37 29.327 -5.745 14.553 1.00 0.00 H new ATOM 0 HE2 PHE A 37 26.654 -4.767 11.384 1.00 0.00 H new ATOM 0 HZ PHE A 37 27.089 -5.068 13.789 1.00 0.00 H new ATOM 576 N LEU A 38 32.042 -8.164 7.636 1.00 0.00 N ATOM 577 CA LEU A 38 32.855 -8.345 6.427 1.00 0.00 C ATOM 578 C LEU A 38 32.208 -7.570 5.279 1.00 0.00 C ATOM 579 O LEU A 38 31.152 -7.961 4.764 1.00 0.00 O ATOM 580 CB LEU A 38 32.983 -9.864 6.089 1.00 0.00 C ATOM 581 CG LEU A 38 34.180 -10.624 6.742 1.00 0.00 C ATOM 582 CD1 LEU A 38 35.512 -10.188 6.118 1.00 0.00 C ATOM 583 CD2 LEU A 38 34.212 -10.465 8.277 1.00 0.00 C ATOM 0 H LEU A 38 31.172 -8.696 7.615 1.00 0.00 H new ATOM 0 HA LEU A 38 33.862 -7.960 6.589 1.00 0.00 H new ATOM 0 HB2 LEU A 38 32.060 -10.359 6.389 1.00 0.00 H new ATOM 0 HB3 LEU A 38 33.063 -9.967 5.007 1.00 0.00 H new ATOM 0 HG LEU A 38 34.032 -11.684 6.537 1.00 0.00 H new ATOM 0 HD11 LEU A 38 36.330 -10.732 6.590 1.00 0.00 H new ATOM 0 HD12 LEU A 38 35.501 -10.404 5.050 1.00 0.00 H new ATOM 0 HD13 LEU A 38 35.652 -9.118 6.270 1.00 0.00 H new ATOM 0 HD21 LEU A 38 35.063 -11.012 8.682 1.00 0.00 H new ATOM 0 HD22 LEU A 38 34.305 -9.409 8.532 1.00 0.00 H new ATOM 0 HD23 LEU A 38 33.290 -10.861 8.703 1.00 0.00 H new ATOM 595 N ALA A 39 32.837 -6.451 4.912 1.00 0.00 N ATOM 596 CA ALA A 39 32.343 -5.568 3.860 1.00 0.00 C ATOM 597 C ALA A 39 32.869 -6.045 2.500 1.00 0.00 C ATOM 598 O ALA A 39 33.999 -5.722 2.107 1.00 0.00 O ATOM 599 CB ALA A 39 32.763 -4.128 4.174 1.00 0.00 C ATOM 0 H ALA A 39 33.707 -6.133 5.340 1.00 0.00 H new ATOM 0 HA ALA A 39 31.254 -5.595 3.815 1.00 0.00 H new ATOM 0 HB1 ALA A 39 32.397 -3.463 3.392 1.00 0.00 H new ATOM 0 HB2 ALA A 39 32.341 -3.827 5.133 1.00 0.00 H new ATOM 0 HB3 ALA A 39 33.850 -4.068 4.221 1.00 0.00 H new ATOM 605 N VAL A 40 32.047 -6.853 1.805 1.00 0.00 N ATOM 606 CA VAL A 40 32.425 -7.472 0.524 1.00 0.00 C ATOM 607 C VAL A 40 32.294 -6.448 -0.635 1.00 0.00 C ATOM 608 O VAL A 40 31.357 -5.645 -0.638 1.00 0.00 O ATOM 609 CB VAL A 40 31.565 -8.778 0.228 1.00 0.00 C ATOM 610 CG1 VAL A 40 31.672 -9.791 1.395 1.00 0.00 C ATOM 611 CG2 VAL A 40 30.078 -8.462 -0.082 1.00 0.00 C ATOM 0 H VAL A 40 31.106 -7.094 2.116 1.00 0.00 H new ATOM 0 HA VAL A 40 33.468 -7.779 0.598 1.00 0.00 H new ATOM 0 HB VAL A 40 31.989 -9.228 -0.670 1.00 0.00 H new ATOM 0 HG11 VAL A 40 31.075 -10.674 1.166 1.00 0.00 H new ATOM 0 HG12 VAL A 40 32.714 -10.082 1.530 1.00 0.00 H new ATOM 0 HG13 VAL A 40 31.303 -9.331 2.311 1.00 0.00 H new ATOM 0 HG21 VAL A 40 29.541 -9.391 -0.276 1.00 0.00 H new ATOM 0 HG22 VAL A 40 29.628 -7.954 0.771 1.00 0.00 H new ATOM 0 HG23 VAL A 40 30.018 -7.819 -0.960 1.00 0.00 H new ATOM 621 N PRO A 41 33.252 -6.431 -1.621 1.00 0.00 N ATOM 622 CA PRO A 41 33.119 -5.604 -2.855 1.00 0.00 C ATOM 623 C PRO A 41 31.963 -6.126 -3.744 1.00 0.00 C ATOM 624 O PRO A 41 31.615 -7.309 -3.669 1.00 0.00 O ATOM 625 CB PRO A 41 34.501 -5.771 -3.545 1.00 0.00 C ATOM 626 CG PRO A 41 35.008 -7.091 -3.049 1.00 0.00 C ATOM 627 CD PRO A 41 34.534 -7.189 -1.612 1.00 0.00 C ATOM 0 HA PRO A 41 32.876 -4.560 -2.656 1.00 0.00 H new ATOM 0 HB2 PRO A 41 34.406 -5.764 -4.631 1.00 0.00 H new ATOM 0 HB3 PRO A 41 35.179 -4.960 -3.279 1.00 0.00 H new ATOM 0 HG2 PRO A 41 34.617 -7.913 -3.649 1.00 0.00 H new ATOM 0 HG3 PRO A 41 36.095 -7.142 -3.109 1.00 0.00 H new ATOM 0 HD2 PRO A 41 34.386 -8.225 -1.307 1.00 0.00 H new ATOM 0 HD3 PRO A 41 35.254 -6.753 -0.920 1.00 0.00 H new ATOM 635 N LYS A 42 31.381 -5.249 -4.584 1.00 0.00 N ATOM 636 CA LYS A 42 30.225 -5.622 -5.445 1.00 0.00 C ATOM 637 C LYS A 42 30.595 -6.699 -6.501 1.00 0.00 C ATOM 638 O LYS A 42 29.722 -7.435 -6.979 1.00 0.00 O ATOM 639 CB LYS A 42 29.608 -4.377 -6.141 1.00 0.00 C ATOM 640 CG LYS A 42 29.124 -3.249 -5.190 1.00 0.00 C ATOM 641 CD LYS A 42 28.124 -3.723 -4.101 1.00 0.00 C ATOM 642 CE LYS A 42 26.800 -4.246 -4.682 1.00 0.00 C ATOM 643 NZ LYS A 42 25.852 -4.660 -3.620 1.00 0.00 N ATOM 0 H LYS A 42 31.685 -4.281 -4.690 1.00 0.00 H new ATOM 0 HA LYS A 42 29.478 -6.055 -4.780 1.00 0.00 H new ATOM 0 HB2 LYS A 42 30.349 -3.960 -6.823 1.00 0.00 H new ATOM 0 HB3 LYS A 42 28.764 -4.703 -6.748 1.00 0.00 H new ATOM 0 HG2 LYS A 42 29.991 -2.803 -4.702 1.00 0.00 H new ATOM 0 HG3 LYS A 42 28.653 -2.465 -5.784 1.00 0.00 H new ATOM 0 HD2 LYS A 42 28.589 -4.510 -3.507 1.00 0.00 H new ATOM 0 HD3 LYS A 42 27.914 -2.895 -3.424 1.00 0.00 H new ATOM 0 HE2 LYS A 42 26.341 -3.470 -5.295 1.00 0.00 H new ATOM 0 HE3 LYS A 42 27.001 -5.093 -5.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 24.973 -5.006 -4.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 26.278 -5.419 -3.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 25.639 -3.846 -3.009 1.00 0.00 H new ATOM 657 N LYS A 43 31.898 -6.801 -6.837 1.00 0.00 N ATOM 658 CA LYS A 43 32.411 -7.789 -7.821 1.00 0.00 C ATOM 659 C LYS A 43 32.494 -9.214 -7.220 1.00 0.00 C ATOM 660 O LYS A 43 32.590 -10.201 -7.967 1.00 0.00 O ATOM 661 CB LYS A 43 33.796 -7.339 -8.351 1.00 0.00 C ATOM 662 CG LYS A 43 34.919 -7.333 -7.289 1.00 0.00 C ATOM 663 CD LYS A 43 36.220 -6.674 -7.796 1.00 0.00 C ATOM 664 CE LYS A 43 37.378 -6.836 -6.801 1.00 0.00 C ATOM 665 NZ LYS A 43 37.752 -8.265 -6.626 1.00 0.00 N ATOM 0 H LYS A 43 32.624 -6.206 -6.438 1.00 0.00 H new ATOM 0 HA LYS A 43 31.706 -7.830 -8.651 1.00 0.00 H new ATOM 0 HB2 LYS A 43 34.090 -7.998 -9.168 1.00 0.00 H new ATOM 0 HB3 LYS A 43 33.703 -6.336 -8.768 1.00 0.00 H new ATOM 0 HG2 LYS A 43 34.571 -6.804 -6.402 1.00 0.00 H new ATOM 0 HG3 LYS A 43 35.131 -8.358 -6.986 1.00 0.00 H new ATOM 0 HD2 LYS A 43 36.500 -7.116 -8.752 1.00 0.00 H new ATOM 0 HD3 LYS A 43 36.042 -5.614 -7.975 1.00 0.00 H new ATOM 0 HE2 LYS A 43 38.243 -6.273 -7.153 1.00 0.00 H new ATOM 0 HE3 LYS A 43 37.093 -6.413 -5.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 38.687 -8.326 -6.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 37.046 -8.737 -6.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 37.784 -8.732 -7.555 1.00 0.00 H new ATOM 679 N SER A 44 32.456 -9.305 -5.870 1.00 0.00 N ATOM 680 CA SER A 44 32.474 -10.594 -5.142 1.00 0.00 C ATOM 681 C SER A 44 31.181 -11.391 -5.411 1.00 0.00 C ATOM 682 O SER A 44 31.194 -12.629 -5.429 1.00 0.00 O ATOM 683 CB SER A 44 32.651 -10.349 -3.617 1.00 0.00 C ATOM 684 OG SER A 44 32.748 -11.563 -2.888 1.00 0.00 O ATOM 0 H SER A 44 32.412 -8.490 -5.258 1.00 0.00 H new ATOM 0 HA SER A 44 33.319 -11.181 -5.503 1.00 0.00 H new ATOM 0 HB2 SER A 44 33.548 -9.753 -3.448 1.00 0.00 H new ATOM 0 HB3 SER A 44 31.807 -9.769 -3.243 1.00 0.00 H new ATOM 0 HG SER A 44 33.503 -12.088 -3.226 1.00 0.00 H new ATOM 690 N ILE A 45 30.078 -10.653 -5.645 1.00 0.00 N ATOM 691 CA ILE A 45 28.743 -11.227 -5.860 1.00 0.00 C ATOM 692 C ILE A 45 28.681 -11.895 -7.248 1.00 0.00 C ATOM 693 O ILE A 45 28.842 -11.231 -8.276 1.00 0.00 O ATOM 694 CB ILE A 45 27.591 -10.139 -5.722 1.00 0.00 C ATOM 695 CG1 ILE A 45 27.495 -9.543 -4.265 1.00 0.00 C ATOM 696 CG2 ILE A 45 26.213 -10.729 -6.137 1.00 0.00 C ATOM 697 CD1 ILE A 45 28.628 -8.643 -3.815 1.00 0.00 C ATOM 0 H ILE A 45 30.093 -9.634 -5.690 1.00 0.00 H new ATOM 0 HA ILE A 45 28.575 -11.973 -5.084 1.00 0.00 H new ATOM 0 HB ILE A 45 27.855 -9.326 -6.398 1.00 0.00 H new ATOM 0 HG12 ILE A 45 26.565 -8.980 -4.190 1.00 0.00 H new ATOM 0 HG13 ILE A 45 27.423 -10.374 -3.563 1.00 0.00 H new ATOM 0 HG21 ILE A 45 25.443 -9.964 -6.033 1.00 0.00 H new ATOM 0 HG22 ILE A 45 26.257 -11.061 -7.174 1.00 0.00 H new ATOM 0 HG23 ILE A 45 25.972 -11.576 -5.495 1.00 0.00 H new ATOM 0 HD11 ILE A 45 28.439 -8.302 -2.797 1.00 0.00 H new ATOM 0 HD12 ILE A 45 29.566 -9.197 -3.844 1.00 0.00 H new ATOM 0 HD13 ILE A 45 28.695 -7.782 -4.480 1.00 0.00 H new ATOM 709 N LYS A 46 28.497 -13.226 -7.247 1.00 0.00 N ATOM 710 CA LYS A 46 28.322 -14.029 -8.469 1.00 0.00 C ATOM 711 C LYS A 46 26.843 -14.035 -8.893 1.00 0.00 C ATOM 712 O LYS A 46 26.518 -13.868 -10.080 1.00 0.00 O ATOM 713 CB LYS A 46 28.810 -15.492 -8.235 1.00 0.00 C ATOM 714 CG LYS A 46 30.260 -15.679 -7.686 1.00 0.00 C ATOM 715 CD LYS A 46 31.405 -15.185 -8.627 1.00 0.00 C ATOM 716 CE LYS A 46 31.735 -13.682 -8.479 1.00 0.00 C ATOM 717 NZ LYS A 46 32.841 -13.257 -9.368 1.00 0.00 N ATOM 0 H LYS A 46 28.465 -13.779 -6.391 1.00 0.00 H new ATOM 0 HA LYS A 46 28.919 -13.582 -9.263 1.00 0.00 H new ATOM 0 HB2 LYS A 46 28.121 -15.971 -7.540 1.00 0.00 H new ATOM 0 HB3 LYS A 46 28.734 -16.029 -9.180 1.00 0.00 H new ATOM 0 HG2 LYS A 46 30.341 -15.151 -6.736 1.00 0.00 H new ATOM 0 HG3 LYS A 46 30.417 -16.737 -7.477 1.00 0.00 H new ATOM 0 HD2 LYS A 46 32.305 -15.766 -8.424 1.00 0.00 H new ATOM 0 HD3 LYS A 46 31.123 -15.385 -9.661 1.00 0.00 H new ATOM 0 HE2 LYS A 46 30.845 -13.094 -8.703 1.00 0.00 H new ATOM 0 HE3 LYS A 46 32.003 -13.472 -7.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 33.025 -12.242 -9.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 33.699 -13.798 -9.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 32.577 -13.432 -10.359 1.00 0.00 H new ATOM 731 N SER A 47 25.949 -14.226 -7.900 1.00 0.00 N ATOM 732 CA SER A 47 24.505 -14.414 -8.129 1.00 0.00 C ATOM 733 C SER A 47 23.666 -13.658 -7.082 1.00 0.00 C ATOM 734 O SER A 47 23.955 -13.712 -5.878 1.00 0.00 O ATOM 735 CB SER A 47 24.165 -15.922 -8.088 1.00 0.00 C ATOM 736 OG SER A 47 24.904 -16.649 -9.058 1.00 0.00 O ATOM 0 H SER A 47 26.212 -14.254 -6.915 1.00 0.00 H new ATOM 0 HA SER A 47 24.260 -14.008 -9.110 1.00 0.00 H new ATOM 0 HB2 SER A 47 24.379 -16.317 -7.095 1.00 0.00 H new ATOM 0 HB3 SER A 47 23.098 -16.060 -8.263 1.00 0.00 H new ATOM 0 HG SER A 47 24.668 -17.599 -9.005 1.00 0.00 H new ATOM 742 N VAL A 48 22.638 -12.937 -7.566 1.00 0.00 N ATOM 743 CA VAL A 48 21.599 -12.313 -6.729 1.00 0.00 C ATOM 744 C VAL A 48 20.313 -13.147 -6.862 1.00 0.00 C ATOM 745 O VAL A 48 19.691 -13.195 -7.933 1.00 0.00 O ATOM 746 CB VAL A 48 21.329 -10.810 -7.133 1.00 0.00 C ATOM 747 CG1 VAL A 48 20.190 -10.177 -6.279 1.00 0.00 C ATOM 748 CG2 VAL A 48 22.630 -9.966 -7.036 1.00 0.00 C ATOM 0 H VAL A 48 22.505 -12.770 -8.563 1.00 0.00 H new ATOM 0 HA VAL A 48 21.942 -12.297 -5.694 1.00 0.00 H new ATOM 0 HB VAL A 48 20.997 -10.808 -8.171 1.00 0.00 H new ATOM 0 HG11 VAL A 48 20.035 -9.143 -6.588 1.00 0.00 H new ATOM 0 HG12 VAL A 48 19.269 -10.741 -6.425 1.00 0.00 H new ATOM 0 HG13 VAL A 48 20.468 -10.203 -5.225 1.00 0.00 H new ATOM 0 HG21 VAL A 48 22.417 -8.935 -7.319 1.00 0.00 H new ATOM 0 HG22 VAL A 48 23.005 -9.991 -6.013 1.00 0.00 H new ATOM 0 HG23 VAL A 48 23.382 -10.379 -7.708 1.00 0.00 H new ATOM 758 N GLU A 49 19.952 -13.830 -5.770 1.00 0.00 N ATOM 759 CA GLU A 49 18.783 -14.727 -5.708 1.00 0.00 C ATOM 760 C GLU A 49 17.690 -14.130 -4.788 1.00 0.00 C ATOM 761 O GLU A 49 17.939 -13.115 -4.114 1.00 0.00 O ATOM 762 CB GLU A 49 19.229 -16.127 -5.193 1.00 0.00 C ATOM 763 CG GLU A 49 20.385 -16.782 -5.984 1.00 0.00 C ATOM 764 CD GLU A 49 20.063 -16.990 -7.473 1.00 0.00 C ATOM 765 OE1 GLU A 49 19.165 -17.806 -7.790 1.00 0.00 O ATOM 766 OE2 GLU A 49 20.710 -16.354 -8.336 1.00 0.00 O ATOM 0 H GLU A 49 20.467 -13.778 -4.891 1.00 0.00 H new ATOM 0 HA GLU A 49 18.361 -14.834 -6.707 1.00 0.00 H new ATOM 0 HB2 GLU A 49 19.531 -16.033 -4.150 1.00 0.00 H new ATOM 0 HB3 GLU A 49 18.369 -16.796 -5.217 1.00 0.00 H new ATOM 0 HG2 GLU A 49 21.275 -16.159 -5.896 1.00 0.00 H new ATOM 0 HG3 GLU A 49 20.624 -17.745 -5.533 1.00 0.00 H new ATOM 773 N ASP A 50 16.523 -14.829 -4.731 1.00 0.00 N ATOM 774 CA ASP A 50 15.264 -14.373 -4.059 1.00 0.00 C ATOM 775 C ASP A 50 15.522 -13.665 -2.707 1.00 0.00 C ATOM 776 O ASP A 50 15.130 -12.514 -2.503 1.00 0.00 O ATOM 777 CB ASP A 50 14.323 -15.586 -3.822 1.00 0.00 C ATOM 778 CG ASP A 50 13.964 -16.350 -5.115 1.00 0.00 C ATOM 779 OD1 ASP A 50 14.805 -17.146 -5.596 1.00 0.00 O ATOM 780 OD2 ASP A 50 12.845 -16.171 -5.647 1.00 0.00 O ATOM 0 H ASP A 50 16.425 -15.749 -5.161 1.00 0.00 H new ATOM 0 HA ASP A 50 14.800 -13.647 -4.727 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.799 -16.274 -3.123 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.405 -15.237 -3.349 1.00 0.00 H new ATOM 785 N GLY A 51 16.205 -14.383 -1.811 1.00 0.00 N ATOM 786 CA GLY A 51 16.652 -13.847 -0.522 1.00 0.00 C ATOM 787 C GLY A 51 18.049 -14.355 -0.190 1.00 0.00 C ATOM 788 O GLY A 51 18.365 -14.626 0.971 1.00 0.00 O ATOM 0 H GLY A 51 16.465 -15.358 -1.960 1.00 0.00 H new ATOM 0 HA2 GLY A 51 16.653 -12.757 -0.555 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.955 -14.142 0.263 1.00 0.00 H new ATOM 792 N ARG A 52 18.893 -14.500 -1.240 1.00 0.00 N ATOM 793 CA ARG A 52 20.262 -15.053 -1.119 1.00 0.00 C ATOM 794 C ARG A 52 21.235 -14.219 -1.982 1.00 0.00 C ATOM 795 O ARG A 52 20.821 -13.626 -2.977 1.00 0.00 O ATOM 796 CB ARG A 52 20.349 -16.567 -1.554 1.00 0.00 C ATOM 797 CG ARG A 52 19.163 -17.494 -1.136 1.00 0.00 C ATOM 798 CD ARG A 52 17.979 -17.417 -2.124 1.00 0.00 C ATOM 799 NE ARG A 52 16.797 -18.197 -1.710 1.00 0.00 N ATOM 800 CZ ARG A 52 16.008 -18.898 -2.549 1.00 0.00 C ATOM 801 NH1 ARG A 52 16.375 -19.121 -3.809 1.00 0.00 N ATOM 802 NH2 ARG A 52 14.861 -19.394 -2.114 1.00 0.00 N ATOM 0 H ARG A 52 18.643 -14.237 -2.193 1.00 0.00 H new ATOM 0 HA ARG A 52 20.537 -14.999 -0.066 1.00 0.00 H new ATOM 0 HB2 ARG A 52 20.441 -16.603 -2.640 1.00 0.00 H new ATOM 0 HB3 ARG A 52 21.267 -16.986 -1.142 1.00 0.00 H new ATOM 0 HG2 ARG A 52 19.515 -18.524 -1.074 1.00 0.00 H new ATOM 0 HG3 ARG A 52 18.820 -17.214 -0.140 1.00 0.00 H new ATOM 0 HD2 ARG A 52 17.688 -16.374 -2.245 1.00 0.00 H new ATOM 0 HD3 ARG A 52 18.311 -17.771 -3.100 1.00 0.00 H new ATOM 0 HE ARG A 52 16.560 -18.207 -0.718 1.00 0.00 H new ATOM 0 HH11 ARG A 52 17.265 -18.760 -4.153 1.00 0.00 H new ATOM 0 HH12 ARG A 52 15.766 -19.653 -4.431 1.00 0.00 H new ATOM 0 HH21 ARG A 52 14.576 -19.246 -1.146 1.00 0.00 H new ATOM 0 HH22 ARG A 52 14.262 -19.925 -2.747 1.00 0.00 H new ATOM 816 N ILE A 53 22.518 -14.165 -1.578 1.00 0.00 N ATOM 817 CA ILE A 53 23.622 -13.554 -2.360 1.00 0.00 C ATOM 818 C ILE A 53 24.804 -14.536 -2.381 1.00 0.00 C ATOM 819 O ILE A 53 25.507 -14.676 -1.388 1.00 0.00 O ATOM 820 CB ILE A 53 24.097 -12.162 -1.750 1.00 0.00 C ATOM 821 CG1 ILE A 53 23.007 -11.055 -1.878 1.00 0.00 C ATOM 822 CG2 ILE A 53 25.431 -11.671 -2.370 1.00 0.00 C ATOM 823 CD1 ILE A 53 22.644 -10.660 -3.300 1.00 0.00 C ATOM 0 H ILE A 53 22.827 -14.550 -0.685 1.00 0.00 H new ATOM 0 HA ILE A 53 23.258 -13.356 -3.368 1.00 0.00 H new ATOM 0 HB ILE A 53 24.265 -12.349 -0.689 1.00 0.00 H new ATOM 0 HG12 ILE A 53 22.104 -11.397 -1.372 1.00 0.00 H new ATOM 0 HG13 ILE A 53 23.351 -10.167 -1.349 1.00 0.00 H new ATOM 0 HG21 ILE A 53 25.712 -10.718 -1.921 1.00 0.00 H new ATOM 0 HG22 ILE A 53 26.213 -12.406 -2.180 1.00 0.00 H new ATOM 0 HG23 ILE A 53 25.307 -11.543 -3.445 1.00 0.00 H new ATOM 0 HD11 ILE A 53 21.878 -9.885 -3.278 1.00 0.00 H new ATOM 0 HD12 ILE A 53 23.530 -10.281 -3.810 1.00 0.00 H new ATOM 0 HD13 ILE A 53 22.263 -11.531 -3.834 1.00 0.00 H new ATOM 835 N VAL A 54 25.024 -15.228 -3.504 1.00 0.00 N ATOM 836 CA VAL A 54 26.168 -16.146 -3.633 1.00 0.00 C ATOM 837 C VAL A 54 27.408 -15.350 -4.054 1.00 0.00 C ATOM 838 O VAL A 54 27.420 -14.752 -5.127 1.00 0.00 O ATOM 839 CB VAL A 54 25.899 -17.313 -4.654 1.00 0.00 C ATOM 840 CG1 VAL A 54 27.100 -18.305 -4.699 1.00 0.00 C ATOM 841 CG2 VAL A 54 24.571 -18.049 -4.324 1.00 0.00 C ATOM 0 H VAL A 54 24.432 -15.173 -4.333 1.00 0.00 H new ATOM 0 HA VAL A 54 26.329 -16.613 -2.661 1.00 0.00 H new ATOM 0 HB VAL A 54 25.795 -16.873 -5.646 1.00 0.00 H new ATOM 0 HG11 VAL A 54 26.888 -19.101 -5.412 1.00 0.00 H new ATOM 0 HG12 VAL A 54 28.000 -17.773 -5.007 1.00 0.00 H new ATOM 0 HG13 VAL A 54 27.253 -18.736 -3.710 1.00 0.00 H new ATOM 0 HG21 VAL A 54 24.410 -18.850 -5.045 1.00 0.00 H new ATOM 0 HG22 VAL A 54 24.628 -18.470 -3.320 1.00 0.00 H new ATOM 0 HG23 VAL A 54 23.742 -17.343 -4.375 1.00 0.00 H new ATOM 851 N ILE A 55 28.426 -15.315 -3.180 1.00 0.00 N ATOM 852 CA ILE A 55 29.734 -14.710 -3.475 1.00 0.00 C ATOM 853 C ILE A 55 30.786 -15.823 -3.664 1.00 0.00 C ATOM 854 O ILE A 55 30.758 -16.836 -2.957 1.00 0.00 O ATOM 855 CB ILE A 55 30.203 -13.704 -2.345 1.00 0.00 C ATOM 856 CG1 ILE A 55 30.364 -14.408 -0.960 1.00 0.00 C ATOM 857 CG2 ILE A 55 29.236 -12.498 -2.244 1.00 0.00 C ATOM 858 CD1 ILE A 55 30.937 -13.533 0.151 1.00 0.00 C ATOM 0 H ILE A 55 28.364 -15.709 -2.241 1.00 0.00 H new ATOM 0 HA ILE A 55 29.631 -14.133 -4.394 1.00 0.00 H new ATOM 0 HB ILE A 55 31.187 -13.334 -2.632 1.00 0.00 H new ATOM 0 HG12 ILE A 55 29.389 -14.778 -0.643 1.00 0.00 H new ATOM 0 HG13 ILE A 55 31.009 -15.277 -1.085 1.00 0.00 H new ATOM 0 HG21 ILE A 55 29.579 -11.821 -1.461 1.00 0.00 H new ATOM 0 HG22 ILE A 55 29.213 -11.969 -3.197 1.00 0.00 H new ATOM 0 HG23 ILE A 55 28.234 -12.854 -2.003 1.00 0.00 H new ATOM 0 HD11 ILE A 55 31.009 -14.114 1.071 1.00 0.00 H new ATOM 0 HD12 ILE A 55 31.929 -13.183 -0.136 1.00 0.00 H new ATOM 0 HD13 ILE A 55 30.283 -12.676 0.313 1.00 0.00 H new ATOM 870 N GLY A 56 31.699 -15.628 -4.632 1.00 0.00 N ATOM 871 CA GLY A 56 32.709 -16.638 -4.965 1.00 0.00 C ATOM 872 C GLY A 56 33.930 -16.546 -4.069 1.00 0.00 C ATOM 873 O GLY A 56 34.245 -17.481 -3.319 1.00 0.00 O ATOM 0 H GLY A 56 31.755 -14.779 -5.195 1.00 0.00 H new ATOM 0 HA2 GLY A 56 32.270 -17.632 -4.876 1.00 0.00 H new ATOM 0 HA3 GLY A 56 33.013 -16.516 -6.004 1.00 0.00 H new ATOM 877 N GLU A 57 34.597 -15.387 -4.139 1.00 0.00 N ATOM 878 CA GLU A 57 35.821 -15.101 -3.380 1.00 0.00 C ATOM 879 C GLU A 57 35.983 -13.584 -3.225 1.00 0.00 C ATOM 880 O GLU A 57 35.346 -12.807 -3.952 1.00 0.00 O ATOM 881 CB GLU A 57 37.067 -15.711 -4.084 1.00 0.00 C ATOM 882 CG GLU A 57 37.435 -15.056 -5.432 1.00 0.00 C ATOM 883 CD GLU A 57 38.594 -15.762 -6.150 1.00 0.00 C ATOM 884 OE1 GLU A 57 39.750 -15.628 -5.700 1.00 0.00 O ATOM 885 OE2 GLU A 57 38.347 -16.472 -7.156 1.00 0.00 O ATOM 0 H GLU A 57 34.298 -14.612 -4.731 1.00 0.00 H new ATOM 0 HA GLU A 57 35.738 -15.558 -2.394 1.00 0.00 H new ATOM 0 HB2 GLU A 57 37.922 -15.631 -3.412 1.00 0.00 H new ATOM 0 HB3 GLU A 57 36.889 -16.774 -4.249 1.00 0.00 H new ATOM 0 HG2 GLU A 57 36.559 -15.058 -6.081 1.00 0.00 H new ATOM 0 HG3 GLU A 57 37.703 -14.013 -5.261 1.00 0.00 H new ATOM 892 N PHE A 58 36.834 -13.181 -2.267 1.00 0.00 N ATOM 893 CA PHE A 58 37.166 -11.767 -2.007 1.00 0.00 C ATOM 894 C PHE A 58 38.327 -11.677 -1.006 1.00 0.00 C ATOM 895 O PHE A 58 38.637 -12.658 -0.310 1.00 0.00 O ATOM 896 CB PHE A 58 35.926 -10.963 -1.492 1.00 0.00 C ATOM 897 CG PHE A 58 35.433 -11.352 -0.099 1.00 0.00 C ATOM 898 CD1 PHE A 58 34.862 -12.602 0.144 1.00 0.00 C ATOM 899 CD2 PHE A 58 35.543 -10.469 0.973 1.00 0.00 C ATOM 900 CE1 PHE A 58 34.437 -12.954 1.409 1.00 0.00 C ATOM 901 CE2 PHE A 58 35.108 -10.825 2.233 1.00 0.00 C ATOM 902 CZ PHE A 58 34.560 -12.064 2.450 1.00 0.00 C ATOM 0 H PHE A 58 37.315 -13.831 -1.646 1.00 0.00 H new ATOM 0 HA PHE A 58 37.472 -11.315 -2.950 1.00 0.00 H new ATOM 0 HB2 PHE A 58 36.177 -9.902 -1.488 1.00 0.00 H new ATOM 0 HB3 PHE A 58 35.108 -11.095 -2.200 1.00 0.00 H new ATOM 0 HD1 PHE A 58 34.751 -13.304 -0.669 1.00 0.00 H new ATOM 0 HD2 PHE A 58 35.975 -9.492 0.815 1.00 0.00 H new ATOM 0 HE1 PHE A 58 34.007 -13.930 1.582 1.00 0.00 H new ATOM 0 HE2 PHE A 58 35.199 -10.126 3.051 1.00 0.00 H new ATOM 0 HZ PHE A 58 34.225 -12.340 3.439 1.00 0.00 H new ATOM 912 N ASP A 59 38.966 -10.498 -0.950 1.00 0.00 N ATOM 913 CA ASP A 59 40.028 -10.202 0.022 1.00 0.00 C ATOM 914 C ASP A 59 39.391 -10.044 1.413 1.00 0.00 C ATOM 915 O ASP A 59 38.989 -8.952 1.797 1.00 0.00 O ATOM 916 CB ASP A 59 40.808 -8.924 -0.389 1.00 0.00 C ATOM 917 CG ASP A 59 41.437 -9.023 -1.791 1.00 0.00 C ATOM 918 OD1 ASP A 59 42.562 -9.543 -1.917 1.00 0.00 O ATOM 919 OD2 ASP A 59 40.790 -8.609 -2.782 1.00 0.00 O ATOM 0 H ASP A 59 38.760 -9.722 -1.579 1.00 0.00 H new ATOM 0 HA ASP A 59 40.746 -11.022 0.047 1.00 0.00 H new ATOM 0 HB2 ASP A 59 40.133 -8.069 -0.360 1.00 0.00 H new ATOM 0 HB3 ASP A 59 41.594 -8.735 0.342 1.00 0.00 H new ATOM 924 N GLU A 60 39.234 -11.178 2.110 1.00 0.00 N ATOM 925 CA GLU A 60 38.474 -11.272 3.377 1.00 0.00 C ATOM 926 C GLU A 60 39.189 -10.602 4.566 1.00 0.00 C ATOM 927 O GLU A 60 38.544 -9.986 5.412 1.00 0.00 O ATOM 928 CB GLU A 60 38.114 -12.756 3.669 1.00 0.00 C ATOM 929 CG GLU A 60 39.295 -13.747 3.610 1.00 0.00 C ATOM 930 CD GLU A 60 38.855 -15.218 3.737 1.00 0.00 C ATOM 931 OE1 GLU A 60 38.539 -15.846 2.699 1.00 0.00 O ATOM 932 OE2 GLU A 60 38.829 -15.747 4.870 1.00 0.00 O ATOM 0 H GLU A 60 39.633 -12.068 1.812 1.00 0.00 H new ATOM 0 HA GLU A 60 37.551 -10.707 3.249 1.00 0.00 H new ATOM 0 HB2 GLU A 60 37.662 -12.814 4.659 1.00 0.00 H new ATOM 0 HB3 GLU A 60 37.357 -13.076 2.953 1.00 0.00 H new ATOM 0 HG2 GLU A 60 39.828 -13.613 2.668 1.00 0.00 H new ATOM 0 HG3 GLU A 60 39.998 -13.514 4.410 1.00 0.00 H new ATOM 939 N GLU A 61 40.523 -10.707 4.608 1.00 0.00 N ATOM 940 CA GLU A 61 41.343 -10.086 5.673 1.00 0.00 C ATOM 941 C GLU A 61 41.284 -8.543 5.527 1.00 0.00 C ATOM 942 O GLU A 61 41.170 -7.799 6.520 1.00 0.00 O ATOM 943 CB GLU A 61 42.797 -10.652 5.582 1.00 0.00 C ATOM 944 CG GLU A 61 43.671 -10.550 6.858 1.00 0.00 C ATOM 945 CD GLU A 61 44.262 -9.157 7.137 1.00 0.00 C ATOM 946 OE1 GLU A 61 45.226 -8.768 6.447 1.00 0.00 O ATOM 947 OE2 GLU A 61 43.777 -8.457 8.050 1.00 0.00 O ATOM 0 H GLU A 61 41.067 -11.219 3.914 1.00 0.00 H new ATOM 0 HA GLU A 61 40.958 -10.328 6.664 1.00 0.00 H new ATOM 0 HB2 GLU A 61 42.735 -11.702 5.297 1.00 0.00 H new ATOM 0 HB3 GLU A 61 43.313 -10.132 4.775 1.00 0.00 H new ATOM 0 HG2 GLU A 61 43.070 -10.851 7.716 1.00 0.00 H new ATOM 0 HG3 GLU A 61 44.490 -11.265 6.776 1.00 0.00 H new ATOM 954 N GLU A 62 41.291 -8.091 4.259 1.00 0.00 N ATOM 955 CA GLU A 62 41.157 -6.664 3.904 1.00 0.00 C ATOM 956 C GLU A 62 39.709 -6.160 4.087 1.00 0.00 C ATOM 957 O GLU A 62 39.497 -5.023 4.488 1.00 0.00 O ATOM 958 CB GLU A 62 41.647 -6.416 2.454 1.00 0.00 C ATOM 959 CG GLU A 62 43.146 -6.717 2.249 1.00 0.00 C ATOM 960 CD GLU A 62 43.673 -6.315 0.860 1.00 0.00 C ATOM 961 OE1 GLU A 62 43.969 -5.116 0.651 1.00 0.00 O ATOM 962 OE2 GLU A 62 43.817 -7.190 -0.020 1.00 0.00 O ATOM 0 H GLU A 62 41.390 -8.705 3.450 1.00 0.00 H new ATOM 0 HA GLU A 62 41.787 -6.095 4.587 1.00 0.00 H new ATOM 0 HB2 GLU A 62 41.064 -7.035 1.772 1.00 0.00 H new ATOM 0 HB3 GLU A 62 41.454 -5.377 2.187 1.00 0.00 H new ATOM 0 HG2 GLU A 62 43.721 -6.192 3.012 1.00 0.00 H new ATOM 0 HG3 GLU A 62 43.317 -7.783 2.398 1.00 0.00 H new ATOM 969 N ALA A 63 38.717 -7.022 3.821 1.00 0.00 N ATOM 970 CA ALA A 63 37.282 -6.679 3.999 1.00 0.00 C ATOM 971 C ALA A 63 36.926 -6.558 5.491 1.00 0.00 C ATOM 972 O ALA A 63 35.948 -5.899 5.857 1.00 0.00 O ATOM 973 CB ALA A 63 36.392 -7.722 3.315 1.00 0.00 C ATOM 0 H ALA A 63 38.875 -7.970 3.479 1.00 0.00 H new ATOM 0 HA ALA A 63 37.104 -5.711 3.530 1.00 0.00 H new ATOM 0 HB1 ALA A 63 35.345 -7.455 3.456 1.00 0.00 H new ATOM 0 HB2 ALA A 63 36.619 -7.751 2.249 1.00 0.00 H new ATOM 0 HB3 ALA A 63 36.578 -8.703 3.753 1.00 0.00 H new ATOM 979 N ARG A 64 37.721 -7.243 6.330 1.00 0.00 N ATOM 980 CA ARG A 64 37.590 -7.219 7.791 1.00 0.00 C ATOM 981 C ARG A 64 38.112 -5.869 8.353 1.00 0.00 C ATOM 982 O ARG A 64 37.455 -5.264 9.210 1.00 0.00 O ATOM 983 CB ARG A 64 38.347 -8.454 8.378 1.00 0.00 C ATOM 984 CG ARG A 64 37.906 -8.941 9.784 1.00 0.00 C ATOM 985 CD ARG A 64 38.348 -8.025 10.934 1.00 0.00 C ATOM 986 NE ARG A 64 37.970 -8.573 12.245 1.00 0.00 N ATOM 987 CZ ARG A 64 37.957 -7.901 13.404 1.00 0.00 C ATOM 988 NH1 ARG A 64 38.301 -6.613 13.463 1.00 0.00 N ATOM 989 NH2 ARG A 64 37.590 -8.540 14.506 1.00 0.00 N ATOM 0 H ARG A 64 38.483 -7.837 6.004 1.00 0.00 H new ATOM 0 HA ARG A 64 36.544 -7.291 8.088 1.00 0.00 H new ATOM 0 HB2 ARG A 64 38.235 -9.284 7.680 1.00 0.00 H new ATOM 0 HB3 ARG A 64 39.409 -8.213 8.419 1.00 0.00 H new ATOM 0 HG2 ARG A 64 36.820 -9.029 9.802 1.00 0.00 H new ATOM 0 HG3 ARG A 64 38.310 -9.939 9.954 1.00 0.00 H new ATOM 0 HD2 ARG A 64 39.429 -7.889 10.895 1.00 0.00 H new ATOM 0 HD3 ARG A 64 37.898 -7.040 10.808 1.00 0.00 H new ATOM 0 HE ARG A 64 37.692 -9.554 12.275 1.00 0.00 H new ATOM 0 HH11 ARG A 64 38.581 -6.121 12.615 1.00 0.00 H new ATOM 0 HH12 ARG A 64 38.284 -6.121 14.356 1.00 0.00 H new ATOM 0 HH21 ARG A 64 37.325 -9.524 14.461 1.00 0.00 H new ATOM 0 HH22 ARG A 64 37.573 -8.048 15.399 1.00 0.00 H new ATOM 1003 N GLU A 65 39.284 -5.398 7.858 1.00 0.00 N ATOM 1004 CA GLU A 65 39.883 -4.114 8.324 1.00 0.00 C ATOM 1005 C GLU A 65 39.064 -2.890 7.846 1.00 0.00 C ATOM 1006 O GLU A 65 38.925 -1.903 8.579 1.00 0.00 O ATOM 1007 CB GLU A 65 41.373 -3.963 7.894 1.00 0.00 C ATOM 1008 CG GLU A 65 41.603 -3.956 6.378 1.00 0.00 C ATOM 1009 CD GLU A 65 43.039 -3.626 5.951 1.00 0.00 C ATOM 1010 OE1 GLU A 65 43.455 -2.457 6.118 1.00 0.00 O ATOM 1011 OE2 GLU A 65 43.746 -4.516 5.427 1.00 0.00 O ATOM 0 H GLU A 65 39.831 -5.879 7.144 1.00 0.00 H new ATOM 0 HA GLU A 65 39.852 -4.146 9.413 1.00 0.00 H new ATOM 0 HB2 GLU A 65 41.766 -3.036 8.312 1.00 0.00 H new ATOM 0 HB3 GLU A 65 41.948 -4.779 8.332 1.00 0.00 H new ATOM 0 HG2 GLU A 65 41.335 -4.934 5.979 1.00 0.00 H new ATOM 0 HG3 GLU A 65 40.927 -3.231 5.925 1.00 0.00 H new ATOM 1018 N LEU A 66 38.543 -2.938 6.604 1.00 0.00 N ATOM 1019 CA LEU A 66 37.667 -1.868 6.082 1.00 0.00 C ATOM 1020 C LEU A 66 36.209 -2.079 6.552 1.00 0.00 C ATOM 1021 O LEU A 66 35.374 -1.167 6.470 1.00 0.00 O ATOM 1022 CB LEU A 66 37.845 -1.707 4.534 1.00 0.00 C ATOM 1023 CG LEU A 66 37.431 -2.883 3.584 1.00 0.00 C ATOM 1024 CD1 LEU A 66 35.933 -2.874 3.255 1.00 0.00 C ATOM 1025 CD2 LEU A 66 38.279 -2.892 2.281 1.00 0.00 C ATOM 0 H LEU A 66 38.711 -3.700 5.947 1.00 0.00 H new ATOM 0 HA LEU A 66 37.967 -0.908 6.502 1.00 0.00 H new ATOM 0 HB2 LEU A 66 37.279 -0.826 4.230 1.00 0.00 H new ATOM 0 HB3 LEU A 66 38.897 -1.490 4.347 1.00 0.00 H new ATOM 0 HG LEU A 66 37.636 -3.803 4.131 1.00 0.00 H new ATOM 0 HD11 LEU A 66 35.701 -3.709 2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 66 35.358 -2.969 4.176 1.00 0.00 H new ATOM 0 HD13 LEU A 66 35.675 -1.937 2.761 1.00 0.00 H new ATOM 0 HD21 LEU A 66 37.964 -3.721 1.647 1.00 0.00 H new ATOM 0 HD22 LEU A 66 38.136 -1.952 1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 66 39.333 -3.009 2.534 1.00 0.00 H new ATOM 1037 N GLY A 67 35.940 -3.289 7.080 1.00 0.00 N ATOM 1038 CA GLY A 67 34.689 -3.597 7.773 1.00 0.00 C ATOM 1039 C GLY A 67 34.605 -2.917 9.139 1.00 0.00 C ATOM 1040 O GLY A 67 33.571 -2.341 9.487 1.00 0.00 O ATOM 0 H GLY A 67 36.588 -4.075 7.034 1.00 0.00 H new ATOM 0 HA2 GLY A 67 33.847 -3.279 7.158 1.00 0.00 H new ATOM 0 HA3 GLY A 67 34.602 -4.676 7.900 1.00 0.00 H new ATOM 1044 N ARG A 68 35.721 -2.956 9.911 1.00 0.00 N ATOM 1045 CA ARG A 68 35.816 -2.239 11.206 1.00 0.00 C ATOM 1046 C ARG A 68 35.968 -0.724 10.975 1.00 0.00 C ATOM 1047 O ARG A 68 35.656 0.079 11.866 1.00 0.00 O ATOM 1048 CB ARG A 68 36.963 -2.775 12.116 1.00 0.00 C ATOM 1049 CG ARG A 68 38.390 -2.677 11.524 1.00 0.00 C ATOM 1050 CD ARG A 68 39.505 -2.651 12.594 1.00 0.00 C ATOM 1051 NE ARG A 68 40.864 -2.798 12.017 1.00 0.00 N ATOM 1052 CZ ARG A 68 41.507 -1.911 11.229 1.00 0.00 C ATOM 1053 NH1 ARG A 68 40.949 -0.757 10.870 1.00 0.00 N ATOM 1054 NH2 ARG A 68 42.728 -2.201 10.796 1.00 0.00 N ATOM 0 H ARG A 68 36.563 -3.474 9.660 1.00 0.00 H new ATOM 0 HA ARG A 68 34.884 -2.429 11.738 1.00 0.00 H new ATOM 0 HB2 ARG A 68 36.942 -2.226 13.058 1.00 0.00 H new ATOM 0 HB3 ARG A 68 36.758 -3.819 12.351 1.00 0.00 H new ATOM 0 HG2 ARG A 68 38.557 -3.524 10.858 1.00 0.00 H new ATOM 0 HG3 ARG A 68 38.461 -1.775 10.916 1.00 0.00 H new ATOM 0 HD2 ARG A 68 39.450 -1.713 13.146 1.00 0.00 H new ATOM 0 HD3 ARG A 68 39.332 -3.453 13.311 1.00 0.00 H new ATOM 0 HE ARG A 68 41.364 -3.659 12.239 1.00 0.00 H new ATOM 0 HH11 ARG A 68 40.010 -0.523 11.192 1.00 0.00 H new ATOM 0 HH12 ARG A 68 41.461 -0.107 10.273 1.00 0.00 H new ATOM 0 HH21 ARG A 68 43.166 -3.083 11.060 1.00 0.00 H new ATOM 0 HH22 ARG A 68 43.228 -1.541 10.200 1.00 0.00 H new ATOM 1068 N LYS A 69 36.452 -0.336 9.775 1.00 0.00 N ATOM 1069 CA LYS A 69 36.429 1.071 9.342 1.00 0.00 C ATOM 1070 C LYS A 69 34.971 1.543 9.185 1.00 0.00 C ATOM 1071 O LYS A 69 34.667 2.694 9.464 1.00 0.00 O ATOM 1072 CB LYS A 69 37.237 1.276 8.031 1.00 0.00 C ATOM 1073 CG LYS A 69 37.219 2.721 7.479 1.00 0.00 C ATOM 1074 CD LYS A 69 38.089 2.918 6.213 1.00 0.00 C ATOM 1075 CE LYS A 69 37.731 1.962 5.069 1.00 0.00 C ATOM 1076 NZ LYS A 69 36.302 2.049 4.673 1.00 0.00 N ATOM 0 H LYS A 69 36.861 -0.977 9.095 1.00 0.00 H new ATOM 0 HA LYS A 69 36.911 1.679 10.108 1.00 0.00 H new ATOM 0 HB2 LYS A 69 38.272 0.982 8.208 1.00 0.00 H new ATOM 0 HB3 LYS A 69 36.842 0.605 7.268 1.00 0.00 H new ATOM 0 HG2 LYS A 69 36.191 2.999 7.248 1.00 0.00 H new ATOM 0 HG3 LYS A 69 37.566 3.401 8.257 1.00 0.00 H new ATOM 0 HD2 LYS A 69 37.982 3.945 5.864 1.00 0.00 H new ATOM 0 HD3 LYS A 69 39.137 2.779 6.477 1.00 0.00 H new ATOM 0 HE2 LYS A 69 38.357 2.186 4.205 1.00 0.00 H new ATOM 0 HE3 LYS A 69 37.958 0.940 5.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 35.919 1.091 4.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 35.765 2.538 5.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 36.220 2.579 3.782 1.00 0.00 H new ATOM 1090 N TRP A 70 34.065 0.633 8.756 1.00 0.00 N ATOM 1091 CA TRP A 70 32.613 0.915 8.762 1.00 0.00 C ATOM 1092 C TRP A 70 32.085 1.056 10.212 1.00 0.00 C ATOM 1093 O TRP A 70 31.191 1.861 10.457 1.00 0.00 O ATOM 1094 CB TRP A 70 31.804 -0.159 7.979 1.00 0.00 C ATOM 1095 CG TRP A 70 30.303 0.075 8.003 1.00 0.00 C ATOM 1096 CD1 TRP A 70 29.579 0.888 7.171 1.00 0.00 C ATOM 1097 CD2 TRP A 70 29.359 -0.487 8.931 1.00 0.00 C ATOM 1098 NE1 TRP A 70 28.254 0.844 7.514 1.00 0.00 N ATOM 1099 CE2 TRP A 70 28.095 0.016 8.591 1.00 0.00 C ATOM 1100 CE3 TRP A 70 29.467 -1.369 10.009 1.00 0.00 C ATOM 1101 CZ2 TRP A 70 26.943 -0.330 9.292 1.00 0.00 C ATOM 1102 CZ3 TRP A 70 28.325 -1.712 10.702 1.00 0.00 C ATOM 1103 CH2 TRP A 70 27.078 -1.188 10.346 1.00 0.00 C ATOM 0 H TRP A 70 34.312 -0.292 8.405 1.00 0.00 H new ATOM 0 HA TRP A 70 32.468 1.865 8.247 1.00 0.00 H new ATOM 0 HB2 TRP A 70 32.144 -0.175 6.944 1.00 0.00 H new ATOM 0 HB3 TRP A 70 32.017 -1.141 8.400 1.00 0.00 H new ATOM 0 HD1 TRP A 70 29.992 1.476 6.365 1.00 0.00 H new ATOM 0 HE1 TRP A 70 27.504 1.349 7.041 1.00 0.00 H new ATOM 0 HE3 TRP A 70 30.426 -1.775 10.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 25.978 0.066 9.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 28.395 -2.397 11.534 1.00 0.00 H new ATOM 0 HH2 TRP A 70 26.204 -1.467 10.916 1.00 0.00 H new ATOM 1114 N LEU A 71 32.628 0.267 11.174 1.00 0.00 N ATOM 1115 CA LEU A 71 32.284 0.436 12.622 1.00 0.00 C ATOM 1116 C LEU A 71 32.688 1.839 13.139 1.00 0.00 C ATOM 1117 O LEU A 71 32.158 2.317 14.144 1.00 0.00 O ATOM 1118 CB LEU A 71 32.914 -0.678 13.518 1.00 0.00 C ATOM 1119 CG LEU A 71 32.145 -2.038 13.609 1.00 0.00 C ATOM 1120 CD1 LEU A 71 30.705 -1.846 14.124 1.00 0.00 C ATOM 1121 CD2 LEU A 71 32.164 -2.793 12.272 1.00 0.00 C ATOM 0 H LEU A 71 33.295 -0.482 10.985 1.00 0.00 H new ATOM 0 HA LEU A 71 31.201 0.339 12.694 1.00 0.00 H new ATOM 0 HB2 LEU A 71 33.919 -0.882 13.148 1.00 0.00 H new ATOM 0 HB3 LEU A 71 33.020 -0.281 14.528 1.00 0.00 H new ATOM 0 HG LEU A 71 32.673 -2.653 14.338 1.00 0.00 H new ATOM 0 HD11 LEU A 71 30.204 -2.813 14.173 1.00 0.00 H new ATOM 0 HD12 LEU A 71 30.731 -1.400 15.118 1.00 0.00 H new ATOM 0 HD13 LEU A 71 30.160 -1.189 13.445 1.00 0.00 H new ATOM 0 HD21 LEU A 71 31.620 -3.732 12.376 1.00 0.00 H new ATOM 0 HD22 LEU A 71 31.691 -2.183 11.503 1.00 0.00 H new ATOM 0 HD23 LEU A 71 33.195 -3.001 11.986 1.00 0.00 H new ATOM 1133 N GLU A 72 33.648 2.471 12.458 1.00 0.00 N ATOM 1134 CA GLU A 72 33.994 3.884 12.673 1.00 0.00 C ATOM 1135 C GLU A 72 32.942 4.813 11.992 1.00 0.00 C ATOM 1136 O GLU A 72 32.531 5.826 12.574 1.00 0.00 O ATOM 1137 CB GLU A 72 35.434 4.132 12.138 1.00 0.00 C ATOM 1138 CG GLU A 72 35.934 5.586 12.173 1.00 0.00 C ATOM 1139 CD GLU A 72 35.956 6.214 13.572 1.00 0.00 C ATOM 1140 OE1 GLU A 72 36.801 5.821 14.404 1.00 0.00 O ATOM 1141 OE2 GLU A 72 35.125 7.109 13.841 1.00 0.00 O ATOM 0 H GLU A 72 34.211 2.017 11.738 1.00 0.00 H new ATOM 0 HA GLU A 72 33.976 4.120 13.737 1.00 0.00 H new ATOM 0 HB2 GLU A 72 36.124 3.519 12.717 1.00 0.00 H new ATOM 0 HB3 GLU A 72 35.482 3.779 11.108 1.00 0.00 H new ATOM 0 HG2 GLU A 72 36.940 5.622 11.756 1.00 0.00 H new ATOM 0 HG3 GLU A 72 35.299 6.192 11.526 1.00 0.00 H new