USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 761 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 48 GLN : amide:sc= -1.76! C(o=-3.1!,f=-7.5!) USER MOD Set 1.2: A 68 SER OG : rot 120:sc= -1.61! USER MOD Set 1.3: A 70 LYS NZ :NH3+ 174:sc= 0.223 (180deg=0) USER MOD Set 2.1: A 18 THR OG1 : rot -112:sc= -1.29 USER MOD Set 2.2: A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.324 X(o=-0.32,f=-0.34) USER MOD Single : A 16 THR OG1 : rot 180:sc= -2.11! USER MOD Single : A 20 GLN : amide:sc= -1.24 X(o=-1.2,f=-0.82) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 110:sc= -0.898 USER MOD Single : A 26 LYS NZ :NH3+ -136:sc= -0.326 (180deg=-1.4) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 80:sc= -1.74! USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 20:sc= 0.485 USER MOD Single : A 49 HIS : no HD1:sc= -3.52! C(o=-3.5!,f=-3.8!) USER MOD Single : A 51 SER OG : rot 180:sc= 0.00028 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.579 K(o=-0.58,f=-7.7!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0.0199 K(o=0.02,f=-1.7!) USER MOD Single : A 81 MET CE :methyl -108:sc= -0.852 (180deg=-4.32!) USER MOD Single : A 82 SER OG : rot 110:sc= -3.96! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl 138:sc= -0.547 (180deg=-2.3!) USER MOD Single : A 88 ASN : amide:sc=-0.00227 X(o=-0.0023,f=-0.0023) USER MOD Single : A 96 THR OG1 : rot 180:sc= -4.43! USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= -0.43 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 175 N VAL A 13 -7.409 16.577 -7.374 1.00 0.00 N ATOM 176 CA VAL A 13 -7.735 17.898 -7.981 1.00 0.00 C ATOM 177 C VAL A 13 -6.574 18.358 -8.865 1.00 0.00 C ATOM 178 O VAL A 13 -5.434 18.382 -8.444 1.00 0.00 O ATOM 179 CB VAL A 13 -7.959 18.926 -6.871 1.00 0.00 C ATOM 180 CG1 VAL A 13 -8.410 20.250 -7.489 1.00 0.00 C ATOM 181 CG2 VAL A 13 -9.035 18.414 -5.911 1.00 0.00 C ATOM 0 HA VAL A 13 -8.638 17.804 -8.584 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.030 19.080 -6.323 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.570 20.984 -6.699 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.642 20.613 -8.172 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.340 20.098 -8.037 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.195 19.146 -5.120 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.966 18.260 -6.457 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.712 17.470 -5.472 1.00 0.00 H new ATOM 191 N GLN A 14 -6.851 18.732 -10.085 1.00 0.00 N ATOM 192 CA GLN A 14 -5.757 19.195 -10.982 1.00 0.00 C ATOM 193 C GLN A 14 -5.893 20.703 -11.201 1.00 0.00 C ATOM 194 O GLN A 14 -6.896 21.181 -11.693 1.00 0.00 O ATOM 195 CB GLN A 14 -5.845 18.469 -12.326 1.00 0.00 C ATOM 196 CG GLN A 14 -5.628 16.970 -12.112 1.00 0.00 C ATOM 197 CD GLN A 14 -4.328 16.748 -11.335 1.00 0.00 C ATOM 198 OE1 GLN A 14 -3.286 17.241 -11.719 1.00 0.00 O ATOM 199 NE2 GLN A 14 -4.347 16.022 -10.250 1.00 0.00 N ATOM 0 H GLN A 14 -7.784 18.737 -10.497 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.793 18.976 -10.524 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.819 18.645 -12.783 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.095 18.861 -13.013 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -6.469 16.545 -11.564 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.582 16.458 -13.073 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.222 15.609 -9.928 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -3.487 15.868 -9.724 1.00 0.00 H new ATOM 208 N VAL A 15 -4.893 21.455 -10.836 1.00 0.00 N ATOM 209 CA VAL A 15 -4.963 22.930 -11.017 1.00 0.00 C ATOM 210 C VAL A 15 -3.713 23.414 -11.757 1.00 0.00 C ATOM 211 O VAL A 15 -2.620 22.939 -11.521 1.00 0.00 O ATOM 212 CB VAL A 15 -5.036 23.593 -9.644 1.00 0.00 C ATOM 213 CG1 VAL A 15 -3.732 23.340 -8.892 1.00 0.00 C ATOM 214 CG2 VAL A 15 -5.254 25.098 -9.807 1.00 0.00 C ATOM 0 H VAL A 15 -4.028 21.110 -10.419 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.846 23.191 -11.600 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.869 23.172 -9.081 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.780 23.812 -7.911 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.584 22.267 -8.771 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.899 23.760 -9.456 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.305 25.567 -8.824 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.425 25.527 -10.371 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.187 25.275 -10.342 1.00 0.00 H new ATOM 224 N THR A 16 -3.864 24.349 -12.655 1.00 0.00 N ATOM 225 CA THR A 16 -2.682 24.852 -13.412 1.00 0.00 C ATOM 226 C THR A 16 -2.819 26.358 -13.647 1.00 0.00 C ATOM 227 O THR A 16 -3.906 26.873 -13.825 1.00 0.00 O ATOM 228 CB THR A 16 -2.605 24.132 -14.760 1.00 0.00 C ATOM 229 OG1 THR A 16 -3.682 24.556 -15.583 1.00 0.00 O ATOM 230 CG2 THR A 16 -2.694 22.621 -14.539 1.00 0.00 C ATOM 0 H THR A 16 -4.753 24.786 -12.897 1.00 0.00 H new ATOM 0 HA THR A 16 -1.775 24.660 -12.838 1.00 0.00 H new ATOM 0 HB THR A 16 -1.659 24.371 -15.247 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.633 24.097 -16.448 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.639 22.109 -15.500 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.867 22.296 -13.907 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.639 22.379 -14.053 1.00 0.00 H new ATOM 238 N PHE A 17 -1.723 27.069 -13.653 1.00 0.00 N ATOM 239 CA PHE A 17 -1.785 28.543 -13.882 1.00 0.00 C ATOM 240 C PHE A 17 -1.036 28.886 -15.171 1.00 0.00 C ATOM 241 O PHE A 17 -0.072 28.242 -15.526 1.00 0.00 O ATOM 242 CB PHE A 17 -1.117 29.277 -12.716 1.00 0.00 C ATOM 243 CG PHE A 17 -1.824 28.950 -11.424 1.00 0.00 C ATOM 244 CD1 PHE A 17 -1.771 27.651 -10.904 1.00 0.00 C ATOM 245 CD2 PHE A 17 -2.524 29.949 -10.740 1.00 0.00 C ATOM 246 CE1 PHE A 17 -2.421 27.352 -9.700 1.00 0.00 C ATOM 247 CE2 PHE A 17 -3.174 29.652 -9.536 1.00 0.00 C ATOM 248 CZ PHE A 17 -3.123 28.352 -9.016 1.00 0.00 C ATOM 0 H PHE A 17 -0.786 26.693 -13.509 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.828 28.849 -13.960 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.068 28.989 -12.648 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.142 30.353 -12.891 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.229 26.880 -11.431 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.563 30.951 -11.141 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.381 26.350 -9.299 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.714 30.424 -9.009 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.625 28.121 -8.088 1.00 0.00 H new ATOM 258 N THR A 18 -1.458 29.902 -15.871 1.00 0.00 N ATOM 259 CA THR A 18 -0.747 30.278 -17.127 1.00 0.00 C ATOM 260 C THR A 18 -0.736 31.801 -17.275 1.00 0.00 C ATOM 261 O THR A 18 -1.758 32.451 -17.186 1.00 0.00 O ATOM 262 CB THR A 18 -1.452 29.646 -18.329 1.00 0.00 C ATOM 263 OG1 THR A 18 -1.574 28.245 -18.121 1.00 0.00 O ATOM 264 CG2 THR A 18 -0.639 29.909 -19.597 1.00 0.00 C ATOM 0 H THR A 18 -2.259 30.486 -15.631 1.00 0.00 H new ATOM 0 HA THR A 18 0.279 29.914 -17.083 1.00 0.00 H new ATOM 0 HB THR A 18 -2.444 30.084 -18.441 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.004 27.769 -18.760 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.143 29.458 -20.452 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.548 30.984 -19.755 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.354 29.473 -19.489 1.00 0.00 H new ATOM 272 N VAL A 19 0.415 32.378 -17.501 1.00 0.00 N ATOM 273 CA VAL A 19 0.492 33.859 -17.655 1.00 0.00 C ATOM 274 C VAL A 19 -0.014 34.251 -19.042 1.00 0.00 C ATOM 275 O VAL A 19 0.285 33.603 -20.025 1.00 0.00 O ATOM 276 CB VAL A 19 1.944 34.315 -17.500 1.00 0.00 C ATOM 277 CG1 VAL A 19 1.981 35.823 -17.240 1.00 0.00 C ATOM 278 CG2 VAL A 19 2.590 33.577 -16.325 1.00 0.00 C ATOM 0 H VAL A 19 1.305 31.887 -17.585 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.123 34.335 -16.891 1.00 0.00 H new ATOM 0 HB VAL A 19 2.494 34.091 -18.414 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.016 36.148 -17.130 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.523 36.348 -18.078 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.430 36.048 -16.327 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.624 33.903 -16.215 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.041 33.799 -15.410 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.565 32.503 -16.512 1.00 0.00 H new ATOM 288 N GLN A 20 -0.777 35.305 -19.138 1.00 0.00 N ATOM 289 CA GLN A 20 -1.293 35.725 -20.470 1.00 0.00 C ATOM 290 C GLN A 20 -0.777 37.127 -20.802 1.00 0.00 C ATOM 291 O GLN A 20 -0.449 37.905 -19.928 1.00 0.00 O ATOM 292 CB GLN A 20 -2.823 35.739 -20.440 1.00 0.00 C ATOM 293 CG GLN A 20 -3.338 34.385 -19.947 1.00 0.00 C ATOM 294 CD GLN A 20 -2.965 33.298 -20.957 1.00 0.00 C ATOM 295 OE1 GLN A 20 -3.112 33.483 -22.148 1.00 0.00 O ATOM 296 NE2 GLN A 20 -2.484 32.163 -20.527 1.00 0.00 N ATOM 0 H GLN A 20 -1.064 35.891 -18.354 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.948 35.024 -21.230 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -3.177 36.535 -19.785 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.215 35.948 -21.435 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.908 34.154 -18.972 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.420 34.421 -19.818 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.361 32.008 -19.526 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.232 31.432 -21.192 1.00 0.00 H new ATOM 305 N LYS A 21 -0.707 37.453 -22.063 1.00 0.00 N ATOM 306 CA LYS A 21 -0.217 38.801 -22.467 1.00 0.00 C ATOM 307 C LYS A 21 -0.910 39.882 -21.633 1.00 0.00 C ATOM 308 O LYS A 21 -2.097 40.104 -21.762 1.00 0.00 O ATOM 309 CB LYS A 21 -0.548 39.025 -23.944 1.00 0.00 C ATOM 310 CG LYS A 21 0.143 37.952 -24.789 1.00 0.00 C ATOM 311 CD LYS A 21 -0.133 38.214 -26.270 1.00 0.00 C ATOM 312 CE LYS A 21 0.354 37.023 -27.097 1.00 0.00 C ATOM 313 NZ LYS A 21 -0.071 37.195 -28.516 1.00 0.00 N ATOM 0 H LYS A 21 -0.970 36.840 -22.835 1.00 0.00 H new ATOM 0 HA LYS A 21 0.860 38.857 -22.306 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.627 38.985 -24.096 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.219 40.016 -24.255 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.217 37.961 -24.601 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.221 36.963 -24.509 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.200 38.370 -26.430 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.374 39.124 -26.590 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.440 36.946 -27.038 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.054 36.096 -26.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.260 36.385 -29.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.109 37.248 -28.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.339 38.072 -28.897 1.00 0.00 H new ATOM 327 N GLY A 22 -0.186 40.567 -20.789 1.00 0.00 N ATOM 328 CA GLY A 22 -0.831 41.636 -19.974 1.00 0.00 C ATOM 329 C GLY A 22 -0.222 41.688 -18.569 1.00 0.00 C ATOM 330 O GLY A 22 -0.514 42.579 -17.796 1.00 0.00 O ATOM 0 H GLY A 22 0.813 40.435 -20.630 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.706 42.601 -20.466 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.903 41.450 -19.904 1.00 0.00 H new ATOM 334 N SER A 23 0.613 40.747 -18.220 1.00 0.00 N ATOM 335 CA SER A 23 1.213 40.770 -16.856 1.00 0.00 C ATOM 336 C SER A 23 2.009 42.066 -16.671 1.00 0.00 C ATOM 337 O SER A 23 2.657 42.542 -17.583 1.00 0.00 O ATOM 338 CB SER A 23 2.138 39.565 -16.679 1.00 0.00 C ATOM 339 OG SER A 23 2.905 39.379 -17.860 1.00 0.00 O ATOM 0 H SER A 23 0.903 39.970 -18.814 1.00 0.00 H new ATOM 0 HA SER A 23 0.420 40.723 -16.110 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.797 39.722 -15.825 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.551 38.671 -16.469 1.00 0.00 H new ATOM 0 HG SER A 23 3.841 39.609 -17.682 1.00 0.00 H new ATOM 345 N ASP A 24 1.959 42.647 -15.502 1.00 0.00 N ATOM 346 CA ASP A 24 2.707 43.917 -15.266 1.00 0.00 C ATOM 347 C ASP A 24 3.396 43.864 -13.898 1.00 0.00 C ATOM 348 O ASP A 24 3.256 42.910 -13.159 1.00 0.00 O ATOM 349 CB ASP A 24 1.733 45.098 -15.302 1.00 0.00 C ATOM 350 CG ASP A 24 0.416 44.664 -15.951 1.00 0.00 C ATOM 351 OD1 ASP A 24 -0.214 43.763 -15.420 1.00 0.00 O ATOM 352 OD2 ASP A 24 0.061 45.238 -16.967 1.00 0.00 O ATOM 0 H ASP A 24 1.433 42.298 -14.701 1.00 0.00 H new ATOM 0 HA ASP A 24 3.460 44.042 -16.044 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.549 45.460 -14.291 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.170 45.925 -15.862 1.00 0.00 H new ATOM 357 N PRO A 25 4.161 44.918 -13.561 1.00 0.00 N ATOM 358 CA PRO A 25 4.884 45.001 -12.283 1.00 0.00 C ATOM 359 C PRO A 25 3.935 45.217 -11.099 1.00 0.00 C ATOM 360 O PRO A 25 4.162 44.728 -10.011 1.00 0.00 O ATOM 361 CB PRO A 25 5.779 46.227 -12.457 1.00 0.00 C ATOM 362 CG PRO A 25 5.078 47.064 -13.473 1.00 0.00 C ATOM 363 CD PRO A 25 4.381 46.109 -14.401 1.00 0.00 C ATOM 0 HA PRO A 25 5.428 44.082 -12.065 1.00 0.00 H new ATOM 0 HB2 PRO A 25 5.902 46.765 -11.517 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.776 45.945 -12.795 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.363 47.735 -12.997 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.786 47.688 -14.018 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.441 46.520 -14.770 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.992 45.878 -15.274 1.00 0.00 H new ATOM 371 N LYS A 26 2.868 45.938 -11.309 1.00 0.00 N ATOM 372 CA LYS A 26 1.893 46.183 -10.210 1.00 0.00 C ATOM 373 C LYS A 26 0.561 45.531 -10.576 1.00 0.00 C ATOM 374 O LYS A 26 -0.412 45.622 -9.855 1.00 0.00 O ATOM 375 CB LYS A 26 1.696 47.685 -10.039 1.00 0.00 C ATOM 376 CG LYS A 26 1.268 48.290 -11.375 1.00 0.00 C ATOM 377 CD LYS A 26 0.617 49.654 -11.136 1.00 0.00 C ATOM 378 CE LYS A 26 1.693 50.672 -10.753 1.00 0.00 C ATOM 379 NZ LYS A 26 1.835 50.712 -9.270 1.00 0.00 N ATOM 0 H LYS A 26 2.629 46.371 -12.201 1.00 0.00 H new ATOM 0 HA LYS A 26 2.266 45.759 -9.278 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.940 47.881 -9.279 1.00 0.00 H new ATOM 0 HB3 LYS A 26 2.621 48.149 -9.696 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.132 48.398 -12.030 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.567 47.625 -11.879 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.094 49.982 -12.034 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.127 49.580 -10.343 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.644 50.402 -11.213 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.425 51.659 -11.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.897 51.701 -8.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.009 50.259 -8.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.698 50.204 -8.990 1.00 0.00 H new ATOM 393 N LYS A 27 0.524 44.861 -11.692 1.00 0.00 N ATOM 394 CA LYS A 27 -0.725 44.180 -12.124 1.00 0.00 C ATOM 395 C LYS A 27 -0.345 42.821 -12.704 1.00 0.00 C ATOM 396 O LYS A 27 0.566 42.713 -13.502 1.00 0.00 O ATOM 397 CB LYS A 27 -1.434 45.021 -13.188 1.00 0.00 C ATOM 398 CG LYS A 27 -1.976 46.301 -12.548 1.00 0.00 C ATOM 399 CD LYS A 27 -2.925 47.000 -13.526 1.00 0.00 C ATOM 400 CE LYS A 27 -2.268 47.083 -14.906 1.00 0.00 C ATOM 401 NZ LYS A 27 -2.777 48.283 -15.626 1.00 0.00 N ATOM 0 H LYS A 27 1.314 44.755 -12.329 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.400 44.054 -11.278 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.741 45.269 -13.992 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.249 44.451 -13.634 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.501 46.063 -11.623 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.153 46.966 -12.286 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.865 46.452 -13.592 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.164 48.000 -13.165 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.184 47.140 -14.802 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.486 46.182 -15.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.331 48.340 -16.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.808 48.210 -15.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.547 49.138 -15.081 1.00 0.00 H new ATOM 415 N LEU A 28 -1.014 41.779 -12.306 1.00 0.00 N ATOM 416 CA LEU A 28 -0.657 40.437 -12.835 1.00 0.00 C ATOM 417 C LEU A 28 -1.898 39.743 -13.395 1.00 0.00 C ATOM 418 O LEU A 28 -2.937 39.696 -12.769 1.00 0.00 O ATOM 419 CB LEU A 28 -0.059 39.593 -11.707 1.00 0.00 C ATOM 420 CG LEU A 28 0.020 38.131 -12.148 1.00 0.00 C ATOM 421 CD1 LEU A 28 1.421 37.589 -11.855 1.00 0.00 C ATOM 422 CD2 LEU A 28 -1.017 37.312 -11.377 1.00 0.00 C ATOM 0 H LEU A 28 -1.788 41.797 -11.642 1.00 0.00 H new ATOM 0 HA LEU A 28 0.073 40.550 -13.637 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.935 39.961 -11.452 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.672 39.680 -10.810 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.182 38.059 -13.217 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.481 36.547 -12.168 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.160 38.175 -12.402 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.622 37.659 -10.786 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.963 36.269 -11.690 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.814 37.381 -10.308 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.014 37.701 -11.583 1.00 0.00 H new ATOM 434 N VAL A 29 -1.781 39.188 -14.567 1.00 0.00 N ATOM 435 CA VAL A 29 -2.930 38.470 -15.180 1.00 0.00 C ATOM 436 C VAL A 29 -2.514 37.019 -15.402 1.00 0.00 C ATOM 437 O VAL A 29 -1.530 36.741 -16.060 1.00 0.00 O ATOM 438 CB VAL A 29 -3.292 39.119 -16.518 1.00 0.00 C ATOM 439 CG1 VAL A 29 -4.629 38.563 -17.009 1.00 0.00 C ATOM 440 CG2 VAL A 29 -3.403 40.634 -16.336 1.00 0.00 C ATOM 0 H VAL A 29 -0.931 39.201 -15.131 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.801 38.518 -14.526 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.517 38.898 -17.251 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.887 39.025 -17.962 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.549 37.484 -17.139 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.406 38.783 -16.277 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.661 41.097 -17.289 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.178 40.857 -15.603 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.449 41.029 -15.987 1.00 0.00 H new ATOM 450 N LEU A 30 -3.237 36.088 -14.849 1.00 0.00 N ATOM 451 CA LEU A 30 -2.850 34.663 -15.026 1.00 0.00 C ATOM 452 C LEU A 30 -4.085 33.808 -15.297 1.00 0.00 C ATOM 453 O LEU A 30 -5.100 33.935 -14.641 1.00 0.00 O ATOM 454 CB LEU A 30 -2.176 34.158 -13.747 1.00 0.00 C ATOM 455 CG LEU A 30 -0.748 34.699 -13.666 1.00 0.00 C ATOM 456 CD1 LEU A 30 -0.303 34.735 -12.202 1.00 0.00 C ATOM 457 CD2 LEU A 30 0.189 33.785 -14.459 1.00 0.00 C ATOM 0 H LEU A 30 -4.072 36.250 -14.287 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.165 34.589 -15.871 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.746 34.477 -12.874 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.163 33.068 -13.738 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.715 35.705 -14.084 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.715 35.120 -12.140 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.971 35.383 -11.634 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.335 33.728 -11.787 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.207 34.170 -14.402 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.157 32.779 -14.040 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.129 33.754 -15.501 1.00 0.00 H new ATOM 469 N ASP A 31 -3.992 32.908 -16.235 1.00 0.00 N ATOM 470 CA ASP A 31 -5.142 32.013 -16.517 1.00 0.00 C ATOM 471 C ASP A 31 -5.062 30.853 -15.530 1.00 0.00 C ATOM 472 O ASP A 31 -3.999 30.319 -15.283 1.00 0.00 O ATOM 473 CB ASP A 31 -5.054 31.487 -17.952 1.00 0.00 C ATOM 474 CG ASP A 31 -6.272 30.610 -18.249 1.00 0.00 C ATOM 475 OD1 ASP A 31 -7.367 31.145 -18.292 1.00 0.00 O ATOM 476 OD2 ASP A 31 -6.087 29.418 -18.430 1.00 0.00 O ATOM 0 H ASP A 31 -3.169 32.755 -16.817 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.086 32.548 -16.410 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.012 32.320 -18.654 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.137 30.912 -18.084 1.00 0.00 H new ATOM 481 N ILE A 32 -6.156 30.463 -14.945 1.00 0.00 N ATOM 482 CA ILE A 32 -6.084 29.349 -13.963 1.00 0.00 C ATOM 483 C ILE A 32 -6.988 28.197 -14.388 1.00 0.00 C ATOM 484 O ILE A 32 -8.151 28.376 -14.690 1.00 0.00 O ATOM 485 CB ILE A 32 -6.517 29.844 -12.584 1.00 0.00 C ATOM 486 CG1 ILE A 32 -5.467 30.811 -12.035 1.00 0.00 C ATOM 487 CG2 ILE A 32 -6.661 28.649 -11.640 1.00 0.00 C ATOM 488 CD1 ILE A 32 -6.034 31.546 -10.819 1.00 0.00 C ATOM 0 H ILE A 32 -7.083 30.859 -15.100 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.054 28.995 -13.922 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.474 30.360 -12.664 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.566 30.265 -11.755 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.180 31.527 -12.805 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.970 28.999 -10.655 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.411 27.963 -12.033 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.705 28.133 -11.558 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.285 32.235 -10.428 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.923 32.105 -11.113 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.299 30.823 -10.048 1.00 0.00 H new ATOM 500 N LYS A 33 -6.458 27.007 -14.380 1.00 0.00 N ATOM 501 CA LYS A 33 -7.276 25.820 -14.743 1.00 0.00 C ATOM 502 C LYS A 33 -7.492 24.998 -13.474 1.00 0.00 C ATOM 503 O LYS A 33 -6.557 24.542 -12.851 1.00 0.00 O ATOM 504 CB LYS A 33 -6.545 24.984 -15.797 1.00 0.00 C ATOM 505 CG LYS A 33 -7.533 24.024 -16.465 1.00 0.00 C ATOM 506 CD LYS A 33 -6.792 23.166 -17.492 1.00 0.00 C ATOM 507 CE LYS A 33 -7.807 22.442 -18.379 1.00 0.00 C ATOM 508 NZ LYS A 33 -7.197 22.167 -19.711 1.00 0.00 N ATOM 0 H LYS A 33 -5.488 26.805 -14.136 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.234 26.129 -15.161 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.094 25.636 -16.545 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.734 24.423 -15.333 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.003 23.388 -15.715 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.330 24.586 -16.952 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.141 23.792 -18.102 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.155 22.442 -16.985 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.116 21.508 -17.909 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.703 23.051 -18.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.887 21.675 -20.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.923 23.065 -20.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.354 21.569 -19.590 1.00 0.00 H new ATOM 522 N TYR A 34 -8.721 24.819 -13.083 1.00 0.00 N ATOM 523 CA TYR A 34 -9.006 24.042 -11.845 1.00 0.00 C ATOM 524 C TYR A 34 -9.901 22.851 -12.189 1.00 0.00 C ATOM 525 O TYR A 34 -11.011 23.011 -12.654 1.00 0.00 O ATOM 526 CB TYR A 34 -9.714 24.953 -10.843 1.00 0.00 C ATOM 527 CG TYR A 34 -9.948 24.208 -9.550 1.00 0.00 C ATOM 528 CD1 TYR A 34 -8.903 24.055 -8.630 1.00 0.00 C ATOM 529 CD2 TYR A 34 -11.211 23.675 -9.266 1.00 0.00 C ATOM 530 CE1 TYR A 34 -9.121 23.371 -7.429 1.00 0.00 C ATOM 531 CE2 TYR A 34 -11.429 22.989 -8.065 1.00 0.00 C ATOM 532 CZ TYR A 34 -10.384 22.837 -7.146 1.00 0.00 C ATOM 533 OH TYR A 34 -10.599 22.164 -5.961 1.00 0.00 O ATOM 0 H TYR A 34 -9.543 25.178 -13.568 1.00 0.00 H new ATOM 0 HA TYR A 34 -8.076 23.674 -11.411 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.111 25.842 -10.657 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.664 25.293 -11.255 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.928 24.465 -8.848 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -12.018 23.793 -9.974 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.315 23.255 -6.720 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.403 22.577 -7.848 1.00 0.00 H new ATOM 0 HH TYR A 34 -10.737 22.811 -5.238 1.00 0.00 H new ATOM 543 N THR A 35 -9.424 21.655 -11.969 1.00 0.00 N ATOM 544 CA THR A 35 -10.254 20.460 -12.294 1.00 0.00 C ATOM 545 C THR A 35 -10.470 19.617 -11.035 1.00 0.00 C ATOM 546 O THR A 35 -9.537 19.107 -10.447 1.00 0.00 O ATOM 547 CB THR A 35 -9.542 19.618 -13.357 1.00 0.00 C ATOM 548 OG1 THR A 35 -9.120 20.462 -14.421 1.00 0.00 O ATOM 549 CG2 THR A 35 -10.501 18.556 -13.897 1.00 0.00 C ATOM 0 H THR A 35 -8.502 21.455 -11.581 1.00 0.00 H new ATOM 0 HA THR A 35 -11.221 20.788 -12.675 1.00 0.00 H new ATOM 0 HB THR A 35 -8.675 19.129 -12.913 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.662 19.926 -15.102 1.00 0.00 H new ATOM 0 HG21 THR A 35 -9.993 17.958 -14.653 1.00 0.00 H new ATOM 0 HG22 THR A 35 -10.825 17.910 -13.081 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.369 19.042 -14.342 1.00 0.00 H new ATOM 557 N ARG A 36 -11.699 19.468 -10.619 1.00 0.00 N ATOM 558 CA ARG A 36 -11.986 18.660 -9.400 1.00 0.00 C ATOM 559 C ARG A 36 -12.988 17.555 -9.748 1.00 0.00 C ATOM 560 O ARG A 36 -13.583 17.559 -10.807 1.00 0.00 O ATOM 561 CB ARG A 36 -12.583 19.565 -8.320 1.00 0.00 C ATOM 562 CG ARG A 36 -11.664 19.580 -7.097 1.00 0.00 C ATOM 563 CD ARG A 36 -12.508 19.510 -5.824 1.00 0.00 C ATOM 564 NE ARG A 36 -11.740 18.810 -4.756 1.00 0.00 N ATOM 565 CZ ARG A 36 -11.996 17.560 -4.480 1.00 0.00 C ATOM 566 NH1 ARG A 36 -13.231 17.137 -4.451 1.00 0.00 N ATOM 567 NH2 ARG A 36 -11.018 16.732 -4.234 1.00 0.00 N ATOM 0 H ARG A 36 -12.518 19.872 -11.073 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.062 18.213 -9.032 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.707 20.577 -8.707 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -13.574 19.208 -8.039 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.975 18.736 -7.136 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.058 20.486 -7.095 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.774 20.515 -5.496 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.441 18.982 -6.022 1.00 0.00 H new ATOM 0 HE ARG A 36 -11.014 19.308 -4.240 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -13.996 17.783 -4.644 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.431 16.160 -4.235 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.053 17.061 -4.257 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.219 15.755 -4.018 1.00 0.00 H new ATOM 581 N PRO A 37 -13.177 16.593 -8.832 1.00 0.00 N ATOM 582 CA PRO A 37 -14.111 15.477 -9.036 1.00 0.00 C ATOM 583 C PRO A 37 -15.570 15.944 -8.997 1.00 0.00 C ATOM 584 O PRO A 37 -16.266 15.756 -8.019 1.00 0.00 O ATOM 585 CB PRO A 37 -13.828 14.552 -7.853 1.00 0.00 C ATOM 586 CG PRO A 37 -13.265 15.449 -6.802 1.00 0.00 C ATOM 587 CD PRO A 37 -12.497 16.517 -7.527 1.00 0.00 C ATOM 0 HA PRO A 37 -13.975 15.002 -10.008 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -14.737 14.059 -7.508 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -13.122 13.766 -8.124 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -14.060 15.885 -6.196 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.615 14.895 -6.125 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.534 17.469 -6.998 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.445 16.253 -7.636 1.00 0.00 H new ATOM 595 N GLY A 38 -16.036 16.553 -10.053 1.00 0.00 N ATOM 596 CA GLY A 38 -17.447 17.030 -10.074 1.00 0.00 C ATOM 597 C GLY A 38 -17.534 18.395 -9.386 1.00 0.00 C ATOM 598 O GLY A 38 -18.569 19.031 -9.375 1.00 0.00 O ATOM 0 H GLY A 38 -15.501 16.741 -10.901 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -17.801 17.106 -11.102 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -18.092 16.313 -9.566 1.00 0.00 H new ATOM 602 N ASP A 39 -16.454 18.849 -8.811 1.00 0.00 N ATOM 603 CA ASP A 39 -16.474 20.172 -8.125 1.00 0.00 C ATOM 604 C ASP A 39 -15.923 21.245 -9.068 1.00 0.00 C ATOM 605 O ASP A 39 -15.536 20.964 -10.184 1.00 0.00 O ATOM 606 CB ASP A 39 -15.608 20.107 -6.866 1.00 0.00 C ATOM 607 CG ASP A 39 -16.461 20.451 -5.642 1.00 0.00 C ATOM 608 OD1 ASP A 39 -17.505 21.055 -5.823 1.00 0.00 O ATOM 609 OD2 ASP A 39 -16.055 20.103 -4.545 1.00 0.00 O ATOM 0 H ASP A 39 -15.559 18.361 -8.787 1.00 0.00 H new ATOM 0 HA ASP A 39 -17.498 20.422 -7.849 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -15.181 19.110 -6.756 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -14.774 20.804 -6.949 1.00 0.00 H new ATOM 614 N SER A 40 -15.882 22.472 -8.625 1.00 0.00 N ATOM 615 CA SER A 40 -15.354 23.561 -9.492 1.00 0.00 C ATOM 616 C SER A 40 -14.747 24.656 -8.622 1.00 0.00 C ATOM 617 O SER A 40 -15.054 24.783 -7.455 1.00 0.00 O ATOM 618 CB SER A 40 -16.489 24.143 -10.338 1.00 0.00 C ATOM 619 OG SER A 40 -16.724 23.302 -11.458 1.00 0.00 O ATOM 0 H SER A 40 -16.192 22.767 -7.699 1.00 0.00 H new ATOM 0 HA SER A 40 -14.586 23.157 -10.152 1.00 0.00 H new ATOM 0 HB2 SER A 40 -17.395 24.230 -9.739 1.00 0.00 H new ATOM 0 HB3 SER A 40 -16.230 25.148 -10.672 1.00 0.00 H new ATOM 0 HG SER A 40 -16.361 22.409 -11.279 1.00 0.00 H new ATOM 625 N LEU A 41 -13.881 25.442 -9.189 1.00 0.00 N ATOM 626 CA LEU A 41 -13.235 26.533 -8.416 1.00 0.00 C ATOM 627 C LEU A 41 -14.259 27.638 -8.146 1.00 0.00 C ATOM 628 O LEU A 41 -15.022 28.013 -9.015 1.00 0.00 O ATOM 629 CB LEU A 41 -12.083 27.091 -9.245 1.00 0.00 C ATOM 630 CG LEU A 41 -11.026 27.708 -8.330 1.00 0.00 C ATOM 631 CD1 LEU A 41 -9.963 28.396 -9.187 1.00 0.00 C ATOM 632 CD2 LEU A 41 -11.679 28.736 -7.404 1.00 0.00 C ATOM 0 H LEU A 41 -13.590 25.375 -10.164 1.00 0.00 H new ATOM 0 HA LEU A 41 -12.861 26.154 -7.465 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.638 26.296 -9.843 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.456 27.843 -9.940 1.00 0.00 H new ATOM 0 HG LEU A 41 -10.565 26.926 -7.727 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.205 28.839 -8.541 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.496 27.663 -9.845 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.429 29.177 -9.787 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.921 29.173 -6.754 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.141 29.522 -8.001 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -12.440 28.247 -6.796 1.00 0.00 H new ATOM 644 N ALA A 42 -14.292 28.158 -6.949 1.00 0.00 N ATOM 645 CA ALA A 42 -15.276 29.231 -6.631 1.00 0.00 C ATOM 646 C ALA A 42 -14.548 30.537 -6.304 1.00 0.00 C ATOM 647 O ALA A 42 -14.947 31.601 -6.733 1.00 0.00 O ATOM 648 CB ALA A 42 -16.114 28.807 -5.425 1.00 0.00 C ATOM 0 H ALA A 42 -13.681 27.886 -6.179 1.00 0.00 H new ATOM 0 HA ALA A 42 -15.920 29.389 -7.496 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -16.835 29.590 -5.190 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -16.644 27.883 -5.657 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -15.461 28.645 -4.567 1.00 0.00 H new ATOM 654 N GLU A 43 -13.493 30.474 -5.537 1.00 0.00 N ATOM 655 CA GLU A 43 -12.766 31.729 -5.181 1.00 0.00 C ATOM 656 C GLU A 43 -11.251 31.502 -5.207 1.00 0.00 C ATOM 657 O GLU A 43 -10.766 30.423 -4.927 1.00 0.00 O ATOM 658 CB GLU A 43 -13.185 32.176 -3.781 1.00 0.00 C ATOM 659 CG GLU A 43 -14.629 32.679 -3.816 1.00 0.00 C ATOM 660 CD GLU A 43 -14.865 33.630 -2.641 1.00 0.00 C ATOM 661 OE1 GLU A 43 -14.005 33.700 -1.779 1.00 0.00 O ATOM 662 OE2 GLU A 43 -15.902 34.272 -2.623 1.00 0.00 O ATOM 0 H GLU A 43 -13.105 29.617 -5.144 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.018 32.498 -5.911 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.095 31.346 -3.081 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.522 32.965 -3.426 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.824 33.192 -4.758 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -15.320 31.838 -3.762 1.00 0.00 H new ATOM 669 N VAL A 44 -10.504 32.522 -5.539 1.00 0.00 N ATOM 670 CA VAL A 44 -9.019 32.391 -5.587 1.00 0.00 C ATOM 671 C VAL A 44 -8.380 33.649 -4.994 1.00 0.00 C ATOM 672 O VAL A 44 -8.792 34.755 -5.286 1.00 0.00 O ATOM 673 CB VAL A 44 -8.570 32.248 -7.042 1.00 0.00 C ATOM 674 CG1 VAL A 44 -7.092 31.849 -7.085 1.00 0.00 C ATOM 675 CG2 VAL A 44 -9.409 31.174 -7.731 1.00 0.00 C ATOM 0 H VAL A 44 -10.862 33.446 -5.780 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.713 31.514 -5.016 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.703 33.199 -7.558 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.773 31.747 -8.122 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.493 32.617 -6.595 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.957 30.899 -6.569 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.089 31.072 -8.768 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.277 30.223 -7.215 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.461 31.460 -7.702 1.00 0.00 H new ATOM 685 N GLU A 45 -7.374 33.502 -4.177 1.00 0.00 N ATOM 686 CA GLU A 45 -6.723 34.709 -3.596 1.00 0.00 C ATOM 687 C GLU A 45 -5.213 34.624 -3.819 1.00 0.00 C ATOM 688 O GLU A 45 -4.646 33.552 -3.905 1.00 0.00 O ATOM 689 CB GLU A 45 -7.027 34.801 -2.101 1.00 0.00 C ATOM 690 CG GLU A 45 -8.498 35.169 -1.902 1.00 0.00 C ATOM 691 CD GLU A 45 -8.819 35.202 -0.406 1.00 0.00 C ATOM 692 OE1 GLU A 45 -7.909 34.994 0.380 1.00 0.00 O ATOM 693 OE2 GLU A 45 -9.970 35.434 -0.072 1.00 0.00 O ATOM 0 H GLU A 45 -6.978 32.607 -3.889 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.113 35.601 -4.086 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.810 33.849 -1.616 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.387 35.550 -1.634 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.704 36.141 -2.350 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.137 34.443 -2.406 1.00 0.00 H new ATOM 700 N LEU A 46 -4.559 35.746 -3.929 1.00 0.00 N ATOM 701 CA LEU A 46 -3.089 35.737 -4.164 1.00 0.00 C ATOM 702 C LEU A 46 -2.375 36.492 -3.044 1.00 0.00 C ATOM 703 O LEU A 46 -2.887 37.451 -2.502 1.00 0.00 O ATOM 704 CB LEU A 46 -2.793 36.425 -5.498 1.00 0.00 C ATOM 705 CG LEU A 46 -1.297 36.326 -5.803 1.00 0.00 C ATOM 706 CD1 LEU A 46 -1.076 36.443 -7.312 1.00 0.00 C ATOM 707 CD2 LEU A 46 -0.555 37.457 -5.089 1.00 0.00 C ATOM 0 H LEU A 46 -4.981 36.672 -3.866 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.735 34.706 -4.185 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.369 35.957 -6.296 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.098 37.471 -5.455 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.917 35.366 -5.454 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.010 36.373 -7.530 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.605 35.637 -7.821 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.455 37.403 -7.662 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.511 37.387 -5.306 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.934 38.418 -5.438 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.713 37.374 -4.014 1.00 0.00 H new ATOM 719 N ARG A 47 -1.188 36.075 -2.703 1.00 0.00 N ATOM 720 CA ARG A 47 -0.432 36.777 -1.629 1.00 0.00 C ATOM 721 C ARG A 47 0.993 37.040 -2.120 1.00 0.00 C ATOM 722 O ARG A 47 1.672 36.151 -2.595 1.00 0.00 O ATOM 723 CB ARG A 47 -0.397 35.909 -0.370 1.00 0.00 C ATOM 724 CG ARG A 47 0.629 36.476 0.612 1.00 0.00 C ATOM 725 CD ARG A 47 0.397 35.871 1.996 1.00 0.00 C ATOM 726 NE ARG A 47 1.293 34.695 2.180 1.00 0.00 N ATOM 727 CZ ARG A 47 1.255 34.014 3.292 1.00 0.00 C ATOM 728 NH1 ARG A 47 0.265 34.182 4.126 1.00 0.00 N ATOM 729 NH2 ARG A 47 2.206 33.165 3.570 1.00 0.00 N ATOM 0 H ARG A 47 -0.708 35.278 -3.122 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.919 37.722 -1.390 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.383 35.882 0.093 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.139 34.883 -0.630 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.639 36.251 0.270 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.543 37.562 0.659 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.593 36.615 2.768 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.645 35.568 2.102 1.00 0.00 H new ATOM 0 HE ARG A 47 1.936 34.422 1.437 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.478 34.845 3.908 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.235 33.650 4.996 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.979 33.034 2.918 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.176 32.633 4.440 1.00 0.00 H new ATOM 743 N GLN A 48 1.447 38.260 -2.020 1.00 0.00 N ATOM 744 CA GLN A 48 2.821 38.588 -2.493 1.00 0.00 C ATOM 745 C GLN A 48 3.858 37.945 -1.570 1.00 0.00 C ATOM 746 O GLN A 48 3.611 37.710 -0.404 1.00 0.00 O ATOM 747 CB GLN A 48 3.009 40.106 -2.489 1.00 0.00 C ATOM 748 CG GLN A 48 1.882 40.761 -3.289 1.00 0.00 C ATOM 749 CD GLN A 48 2.322 42.155 -3.742 1.00 0.00 C ATOM 750 OE1 GLN A 48 3.325 42.666 -3.286 1.00 0.00 O ATOM 751 NE2 GLN A 48 1.607 42.796 -4.627 1.00 0.00 N ATOM 0 H GLN A 48 0.924 39.044 -1.630 1.00 0.00 H new ATOM 0 HA GLN A 48 2.954 38.203 -3.504 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.008 40.481 -1.465 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.975 40.365 -2.922 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.632 40.148 -4.155 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.982 40.833 -2.678 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.765 42.367 -5.010 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.891 43.726 -4.935 1.00 0.00 H new ATOM 760 N HIS A 49 5.022 37.663 -2.089 1.00 0.00 N ATOM 761 CA HIS A 49 6.084 37.038 -1.253 1.00 0.00 C ATOM 762 C HIS A 49 6.555 38.033 -0.189 1.00 0.00 C ATOM 763 O HIS A 49 7.056 39.097 -0.497 1.00 0.00 O ATOM 764 CB HIS A 49 7.271 36.654 -2.137 1.00 0.00 C ATOM 765 CG HIS A 49 8.202 35.760 -1.366 1.00 0.00 C ATOM 766 ND1 HIS A 49 7.800 34.536 -0.857 1.00 0.00 N ATOM 767 CD2 HIS A 49 9.521 35.900 -1.007 1.00 0.00 C ATOM 768 CE1 HIS A 49 8.857 33.991 -0.226 1.00 0.00 C ATOM 769 NE2 HIS A 49 9.932 34.782 -0.288 1.00 0.00 N ATOM 0 H HIS A 49 5.283 37.839 -3.059 1.00 0.00 H new ATOM 0 HA HIS A 49 5.681 36.148 -0.770 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.920 36.144 -3.034 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.798 37.550 -2.465 1.00 0.00 H new ATOM 0 HD2 HIS A 49 10.144 36.749 -1.247 1.00 0.00 H new ATOM 0 HE1 HIS A 49 8.838 33.032 0.270 1.00 0.00 H new ATOM 0 HE2 HIS A 49 10.856 34.604 0.107 1.00 0.00 H new ATOM 777 N GLY A 50 6.402 37.692 1.062 1.00 0.00 N ATOM 778 CA GLY A 50 6.845 38.614 2.147 1.00 0.00 C ATOM 779 C GLY A 50 5.635 39.357 2.717 1.00 0.00 C ATOM 780 O GLY A 50 5.769 40.219 3.562 1.00 0.00 O ATOM 0 H GLY A 50 5.989 36.815 1.380 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.343 38.050 2.936 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.572 39.327 1.758 1.00 0.00 H new ATOM 784 N SER A 51 4.456 39.031 2.265 1.00 0.00 N ATOM 785 CA SER A 51 3.244 39.722 2.786 1.00 0.00 C ATOM 786 C SER A 51 2.377 38.721 3.554 1.00 0.00 C ATOM 787 O SER A 51 2.423 37.531 3.312 1.00 0.00 O ATOM 788 CB SER A 51 2.441 40.297 1.617 1.00 0.00 C ATOM 789 OG SER A 51 1.306 40.987 2.117 1.00 0.00 O ATOM 0 H SER A 51 4.280 38.317 1.558 1.00 0.00 H new ATOM 0 HA SER A 51 3.546 40.530 3.452 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.064 40.975 1.033 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.127 39.496 0.948 1.00 0.00 H new ATOM 0 HG SER A 51 0.792 41.357 1.369 1.00 0.00 H new ATOM 795 N GLU A 52 1.587 39.193 4.479 1.00 0.00 N ATOM 796 CA GLU A 52 0.719 38.268 5.260 1.00 0.00 C ATOM 797 C GLU A 52 -0.750 38.616 5.008 1.00 0.00 C ATOM 798 O GLU A 52 -1.629 38.200 5.736 1.00 0.00 O ATOM 799 CB GLU A 52 1.026 38.415 6.752 1.00 0.00 C ATOM 800 CG GLU A 52 2.460 37.958 7.027 1.00 0.00 C ATOM 801 CD GLU A 52 2.678 37.846 8.538 1.00 0.00 C ATOM 802 OE1 GLU A 52 1.798 38.259 9.274 1.00 0.00 O ATOM 803 OE2 GLU A 52 3.721 37.351 8.931 1.00 0.00 O ATOM 0 H GLU A 52 1.505 40.179 4.727 1.00 0.00 H new ATOM 0 HA GLU A 52 0.911 37.241 4.949 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.899 39.453 7.059 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.325 37.821 7.338 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.644 36.996 6.550 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.168 38.667 6.598 1.00 0.00 H new ATOM 810 N GLU A 53 -1.023 39.377 3.983 1.00 0.00 N ATOM 811 CA GLU A 53 -2.435 39.751 3.691 1.00 0.00 C ATOM 812 C GLU A 53 -2.832 39.227 2.308 1.00 0.00 C ATOM 813 O GLU A 53 -2.552 39.840 1.297 1.00 0.00 O ATOM 814 CB GLU A 53 -2.575 41.274 3.718 1.00 0.00 C ATOM 815 CG GLU A 53 -4.058 41.652 3.735 1.00 0.00 C ATOM 816 CD GLU A 53 -4.195 43.176 3.742 1.00 0.00 C ATOM 817 OE1 GLU A 53 -3.179 43.843 3.854 1.00 0.00 O ATOM 818 OE2 GLU A 53 -5.314 43.651 3.636 1.00 0.00 O ATOM 0 H GLU A 53 -0.330 39.755 3.337 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.088 39.311 4.445 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.076 41.680 4.598 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.088 41.710 2.846 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.561 41.235 2.862 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.542 41.228 4.615 1.00 0.00 H new ATOM 825 N TRP A 54 -3.486 38.099 2.259 1.00 0.00 N ATOM 826 CA TRP A 54 -3.907 37.534 0.946 1.00 0.00 C ATOM 827 C TRP A 54 -4.747 38.564 0.188 1.00 0.00 C ATOM 828 O TRP A 54 -5.633 39.188 0.738 1.00 0.00 O ATOM 829 CB TRP A 54 -4.739 36.272 1.179 1.00 0.00 C ATOM 830 CG TRP A 54 -3.836 35.133 1.525 1.00 0.00 C ATOM 831 CD1 TRP A 54 -3.373 34.856 2.767 1.00 0.00 C ATOM 832 CD2 TRP A 54 -3.278 34.117 0.644 1.00 0.00 C ATOM 833 NE1 TRP A 54 -2.568 33.733 2.703 1.00 0.00 N ATOM 834 CE2 TRP A 54 -2.478 33.241 1.415 1.00 0.00 C ATOM 835 CE3 TRP A 54 -3.387 33.873 -0.736 1.00 0.00 C ATOM 836 CZ2 TRP A 54 -1.810 32.160 0.837 1.00 0.00 C ATOM 837 CZ3 TRP A 54 -2.717 32.787 -1.322 1.00 0.00 C ATOM 838 CH2 TRP A 54 -1.930 31.933 -0.538 1.00 0.00 C ATOM 0 H TRP A 54 -3.747 37.543 3.073 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.023 37.286 0.359 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.455 36.439 1.984 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.315 36.034 0.285 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.596 35.420 3.661 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.098 33.319 3.508 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -3.990 34.525 -1.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.206 31.504 1.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -2.809 32.609 -2.383 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.416 31.100 -0.995 1.00 0.00 H new ATOM 849 N GLU A 55 -4.473 38.744 -1.077 1.00 0.00 N ATOM 850 CA GLU A 55 -5.250 39.729 -1.883 1.00 0.00 C ATOM 851 C GLU A 55 -6.235 38.981 -2.784 1.00 0.00 C ATOM 852 O GLU A 55 -5.891 38.003 -3.417 1.00 0.00 O ATOM 853 CB GLU A 55 -4.291 40.550 -2.749 1.00 0.00 C ATOM 854 CG GLU A 55 -4.393 42.027 -2.363 1.00 0.00 C ATOM 855 CD GLU A 55 -3.575 42.868 -3.345 1.00 0.00 C ATOM 856 OE1 GLU A 55 -2.944 42.286 -4.212 1.00 0.00 O ATOM 857 OE2 GLU A 55 -3.594 44.081 -3.214 1.00 0.00 O ATOM 0 H GLU A 55 -3.742 38.249 -1.588 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.797 40.395 -1.216 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.269 40.197 -2.613 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.535 40.421 -3.803 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.435 42.346 -2.375 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.026 42.175 -1.347 1.00 0.00 H new ATOM 864 N PRO A 56 -7.489 39.455 -2.839 1.00 0.00 N ATOM 865 CA PRO A 56 -8.536 38.832 -3.660 1.00 0.00 C ATOM 866 C PRO A 56 -8.297 39.046 -5.159 1.00 0.00 C ATOM 867 O PRO A 56 -7.808 40.076 -5.578 1.00 0.00 O ATOM 868 CB PRO A 56 -9.808 39.563 -3.228 1.00 0.00 C ATOM 869 CG PRO A 56 -9.331 40.881 -2.717 1.00 0.00 C ATOM 870 CD PRO A 56 -7.983 40.632 -2.103 1.00 0.00 C ATOM 0 HA PRO A 56 -8.574 37.752 -3.518 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.496 39.688 -4.064 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.341 39.008 -2.456 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.262 41.609 -3.525 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.025 41.287 -1.981 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.321 41.489 -2.224 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.058 40.436 -1.033 1.00 0.00 H new ATOM 878 N LEU A 57 -8.646 38.083 -5.968 1.00 0.00 N ATOM 879 CA LEU A 57 -8.447 38.232 -7.438 1.00 0.00 C ATOM 880 C LEU A 57 -9.813 38.375 -8.110 1.00 0.00 C ATOM 881 O LEU A 57 -10.803 37.859 -7.630 1.00 0.00 O ATOM 882 CB LEU A 57 -7.749 36.988 -7.991 1.00 0.00 C ATOM 883 CG LEU A 57 -6.262 37.033 -7.646 1.00 0.00 C ATOM 884 CD1 LEU A 57 -6.089 36.959 -6.129 1.00 0.00 C ATOM 885 CD2 LEU A 57 -5.552 35.846 -8.299 1.00 0.00 C ATOM 0 H LEU A 57 -9.061 37.199 -5.674 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.835 39.112 -7.637 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.202 36.089 -7.572 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.880 36.937 -9.072 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.830 37.963 -8.016 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.028 36.991 -5.882 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.596 37.804 -5.663 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.520 36.029 -5.759 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.490 35.877 -8.053 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.983 34.916 -7.929 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.676 35.898 -9.381 1.00 0.00 H new ATOM 897 N THR A 58 -9.885 39.057 -9.220 1.00 0.00 N ATOM 898 CA THR A 58 -11.202 39.199 -9.899 1.00 0.00 C ATOM 899 C THR A 58 -11.268 38.208 -11.061 1.00 0.00 C ATOM 900 O THR A 58 -10.406 38.185 -11.918 1.00 0.00 O ATOM 901 CB THR A 58 -11.367 40.628 -10.425 1.00 0.00 C ATOM 902 OG1 THR A 58 -11.169 41.549 -9.361 1.00 0.00 O ATOM 903 CG2 THR A 58 -12.775 40.803 -10.998 1.00 0.00 C ATOM 0 H THR A 58 -9.099 39.516 -9.681 1.00 0.00 H new ATOM 0 HA THR A 58 -12.005 38.992 -9.191 1.00 0.00 H new ATOM 0 HB THR A 58 -10.632 40.814 -11.208 1.00 0.00 H new ATOM 0 HG1 THR A 58 -11.273 42.464 -9.697 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.892 41.820 -11.372 1.00 0.00 H new ATOM 0 HG22 THR A 58 -12.926 40.097 -11.814 1.00 0.00 H new ATOM 0 HG23 THR A 58 -13.512 40.617 -10.216 1.00 0.00 H new ATOM 911 N LYS A 59 -12.278 37.383 -11.096 1.00 0.00 N ATOM 912 CA LYS A 59 -12.386 36.393 -12.203 1.00 0.00 C ATOM 913 C LYS A 59 -12.762 37.124 -13.493 1.00 0.00 C ATOM 914 O LYS A 59 -13.872 37.592 -13.646 1.00 0.00 O ATOM 915 CB LYS A 59 -13.465 35.364 -11.859 1.00 0.00 C ATOM 916 CG LYS A 59 -13.229 34.088 -12.667 1.00 0.00 C ATOM 917 CD LYS A 59 -14.182 32.993 -12.181 1.00 0.00 C ATOM 918 CE LYS A 59 -13.689 31.632 -12.676 1.00 0.00 C ATOM 919 NZ LYS A 59 -14.629 30.567 -12.224 1.00 0.00 N ATOM 0 H LYS A 59 -13.031 37.352 -10.408 1.00 0.00 H new ATOM 0 HA LYS A 59 -11.433 35.883 -12.339 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -13.443 35.141 -10.792 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -14.453 35.769 -12.079 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -13.391 34.281 -13.728 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.195 33.761 -12.556 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -14.235 32.999 -11.092 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -15.190 33.183 -12.550 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.619 31.632 -13.764 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.688 31.435 -12.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.293 29.642 -12.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.674 30.562 -11.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -15.576 30.753 -12.611 1.00 0.00 H new ATOM 933 N LYS A 60 -11.852 37.234 -14.423 1.00 0.00 N ATOM 934 CA LYS A 60 -12.180 37.944 -15.691 1.00 0.00 C ATOM 935 C LYS A 60 -12.315 36.928 -16.826 1.00 0.00 C ATOM 936 O LYS A 60 -11.431 36.128 -17.064 1.00 0.00 O ATOM 937 CB LYS A 60 -11.065 38.940 -16.022 1.00 0.00 C ATOM 938 CG LYS A 60 -11.053 40.058 -14.976 1.00 0.00 C ATOM 939 CD LYS A 60 -10.686 41.383 -15.650 1.00 0.00 C ATOM 940 CE LYS A 60 -10.657 42.498 -14.602 1.00 0.00 C ATOM 941 NZ LYS A 60 -11.953 43.236 -14.626 1.00 0.00 N ATOM 0 H LYS A 60 -10.903 36.866 -14.360 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.121 38.481 -15.574 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.101 38.431 -16.037 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.220 39.359 -17.016 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.031 40.138 -14.502 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.335 39.827 -14.189 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.713 41.300 -16.135 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.411 41.620 -16.429 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.484 42.077 -13.612 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.833 43.182 -14.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.934 43.994 -13.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.099 43.650 -15.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.730 42.579 -14.412 1.00 0.00 H new ATOM 955 N GLY A 61 -13.416 36.947 -17.525 1.00 0.00 N ATOM 956 CA GLY A 61 -13.609 35.980 -18.641 1.00 0.00 C ATOM 957 C GLY A 61 -13.266 34.570 -18.156 1.00 0.00 C ATOM 958 O GLY A 61 -14.100 33.868 -17.619 1.00 0.00 O ATOM 0 H GLY A 61 -14.191 37.592 -17.371 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.640 36.015 -18.993 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -12.975 36.251 -19.485 1.00 0.00 H new ATOM 962 N ASN A 62 -12.044 34.151 -18.339 1.00 0.00 N ATOM 963 CA ASN A 62 -11.649 32.787 -17.885 1.00 0.00 C ATOM 964 C ASN A 62 -10.281 32.856 -17.204 1.00 0.00 C ATOM 965 O ASN A 62 -9.594 31.864 -17.067 1.00 0.00 O ATOM 966 CB ASN A 62 -11.574 31.850 -19.093 1.00 0.00 C ATOM 967 CG ASN A 62 -10.496 32.347 -20.059 1.00 0.00 C ATOM 968 OD1 ASN A 62 -10.189 33.522 -20.091 1.00 0.00 O ATOM 969 ND2 ASN A 62 -9.907 31.496 -20.852 1.00 0.00 N ATOM 0 H ASN A 62 -11.303 34.693 -18.783 1.00 0.00 H new ATOM 0 HA ASN A 62 -12.388 32.408 -17.179 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -11.345 30.836 -18.766 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.540 31.812 -19.597 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -9.188 31.817 -21.500 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -10.166 30.510 -20.824 1.00 0.00 H new ATOM 976 N VAL A 63 -9.880 34.023 -16.778 1.00 0.00 N ATOM 977 CA VAL A 63 -8.558 34.159 -16.106 1.00 0.00 C ATOM 978 C VAL A 63 -8.727 34.959 -14.813 1.00 0.00 C ATOM 979 O VAL A 63 -9.787 35.482 -14.533 1.00 0.00 O ATOM 980 CB VAL A 63 -7.592 34.895 -17.034 1.00 0.00 C ATOM 981 CG1 VAL A 63 -7.284 34.019 -18.250 1.00 0.00 C ATOM 982 CG2 VAL A 63 -8.231 36.205 -17.499 1.00 0.00 C ATOM 0 H VAL A 63 -10.412 34.889 -16.867 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.162 33.170 -15.875 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.667 35.111 -16.498 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.595 34.544 -18.912 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.829 33.085 -17.920 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.208 33.803 -18.786 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.543 36.731 -18.161 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.156 35.989 -18.034 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.451 36.830 -16.633 1.00 0.00 H new ATOM 992 N TRP A 64 -7.692 35.067 -14.027 1.00 0.00 N ATOM 993 CA TRP A 64 -7.805 35.844 -12.760 1.00 0.00 C ATOM 994 C TRP A 64 -6.848 37.036 -12.814 1.00 0.00 C ATOM 995 O TRP A 64 -5.673 36.889 -13.088 1.00 0.00 O ATOM 996 CB TRP A 64 -7.447 34.946 -11.574 1.00 0.00 C ATOM 997 CG TRP A 64 -8.469 33.863 -11.449 1.00 0.00 C ATOM 998 CD1 TRP A 64 -8.523 32.752 -12.219 1.00 0.00 C ATOM 999 CD2 TRP A 64 -9.587 33.770 -10.519 1.00 0.00 C ATOM 1000 NE1 TRP A 64 -9.601 31.982 -11.819 1.00 0.00 N ATOM 1001 CE2 TRP A 64 -10.287 32.567 -10.774 1.00 0.00 C ATOM 1002 CE3 TRP A 64 -10.056 34.604 -9.487 1.00 0.00 C ATOM 1003 CZ2 TRP A 64 -11.414 32.204 -10.034 1.00 0.00 C ATOM 1004 CZ3 TRP A 64 -11.189 34.242 -8.740 1.00 0.00 C ATOM 1005 CH2 TRP A 64 -11.866 33.045 -9.014 1.00 0.00 C ATOM 0 H TRP A 64 -6.777 34.653 -14.205 1.00 0.00 H new ATOM 0 HA TRP A 64 -8.827 36.203 -12.640 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.457 34.513 -11.717 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -7.409 35.533 -10.657 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -7.837 32.506 -13.016 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -9.857 31.091 -12.244 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -9.542 35.528 -9.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -11.932 31.281 -10.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -11.541 34.889 -7.950 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -12.737 32.773 -8.436 1.00 0.00 H new ATOM 1016 N GLU A 65 -7.344 38.218 -12.568 1.00 0.00 N ATOM 1017 CA GLU A 65 -6.463 39.417 -12.618 1.00 0.00 C ATOM 1018 C GLU A 65 -6.323 40.018 -11.220 1.00 0.00 C ATOM 1019 O GLU A 65 -7.268 40.075 -10.459 1.00 0.00 O ATOM 1020 CB GLU A 65 -7.076 40.457 -13.557 1.00 0.00 C ATOM 1021 CG GLU A 65 -7.095 39.907 -14.984 1.00 0.00 C ATOM 1022 CD GLU A 65 -7.388 41.044 -15.965 1.00 0.00 C ATOM 1023 OE1 GLU A 65 -7.574 42.160 -15.509 1.00 0.00 O ATOM 1024 OE2 GLU A 65 -7.420 40.780 -17.156 1.00 0.00 O ATOM 0 H GLU A 65 -8.319 38.404 -12.335 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.479 39.124 -12.983 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.089 40.700 -13.236 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.499 41.381 -13.520 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.136 39.447 -15.220 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.853 39.129 -15.075 1.00 0.00 H new ATOM 1031 N VAL A 66 -5.150 40.476 -10.879 1.00 0.00 N ATOM 1032 CA VAL A 66 -4.946 41.081 -9.536 1.00 0.00 C ATOM 1033 C VAL A 66 -4.133 42.368 -9.686 1.00 0.00 C ATOM 1034 O VAL A 66 -3.127 42.399 -10.365 1.00 0.00 O ATOM 1035 CB VAL A 66 -4.186 40.104 -8.637 1.00 0.00 C ATOM 1036 CG1 VAL A 66 -2.860 39.725 -9.301 1.00 0.00 C ATOM 1037 CG2 VAL A 66 -3.908 40.764 -7.285 1.00 0.00 C ATOM 0 H VAL A 66 -4.323 40.456 -11.475 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.914 41.303 -9.087 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.787 39.207 -8.487 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.318 39.029 -8.661 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.057 39.254 -10.264 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.259 40.622 -9.452 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.367 40.068 -6.645 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.308 41.661 -7.435 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.852 41.034 -6.811 1.00 0.00 H new ATOM 1047 N LYS A 67 -4.558 43.431 -9.062 1.00 0.00 N ATOM 1048 CA LYS A 67 -3.798 44.708 -9.180 1.00 0.00 C ATOM 1049 C LYS A 67 -3.340 45.165 -7.794 1.00 0.00 C ATOM 1050 O LYS A 67 -4.101 45.184 -6.848 1.00 0.00 O ATOM 1051 CB LYS A 67 -4.686 45.781 -9.810 1.00 0.00 C ATOM 1052 CG LYS A 67 -3.994 47.141 -9.698 1.00 0.00 C ATOM 1053 CD LYS A 67 -4.828 48.199 -10.421 1.00 0.00 C ATOM 1054 CE LYS A 67 -4.051 49.516 -10.465 1.00 0.00 C ATOM 1055 NZ LYS A 67 -4.327 50.296 -9.225 1.00 0.00 N ATOM 0 H LYS A 67 -5.394 43.472 -8.479 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.925 44.549 -9.813 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.877 45.543 -10.856 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.653 45.810 -9.308 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.871 47.413 -8.650 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -2.996 47.090 -10.133 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.059 47.867 -11.433 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.779 48.342 -9.907 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.983 49.318 -10.553 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.341 50.093 -11.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.799 51.192 -9.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.346 50.496 -9.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.029 49.745 -8.395 1.00 0.00 H new ATOM 1069 N SER A 68 -2.092 45.529 -7.673 1.00 0.00 N ATOM 1070 CA SER A 68 -1.560 45.981 -6.358 1.00 0.00 C ATOM 1071 C SER A 68 -1.010 47.399 -6.496 1.00 0.00 C ATOM 1072 O SER A 68 -0.153 47.660 -7.317 1.00 0.00 O ATOM 1073 CB SER A 68 -0.427 45.045 -5.934 1.00 0.00 C ATOM 1074 OG SER A 68 -0.025 45.361 -4.609 1.00 0.00 O ATOM 0 H SER A 68 -1.414 45.532 -8.435 1.00 0.00 H new ATOM 0 HA SER A 68 -2.355 45.967 -5.613 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.758 44.008 -5.988 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.417 45.146 -6.616 1.00 0.00 H new ATOM 0 HG SER A 68 -0.154 44.579 -4.033 1.00 0.00 H new ATOM 1080 N SER A 69 -1.483 48.320 -5.702 1.00 0.00 N ATOM 1081 CA SER A 69 -0.962 49.713 -5.801 1.00 0.00 C ATOM 1082 C SER A 69 0.560 49.653 -5.919 1.00 0.00 C ATOM 1083 O SER A 69 1.185 50.497 -6.531 1.00 0.00 O ATOM 1084 CB SER A 69 -1.353 50.499 -4.548 1.00 0.00 C ATOM 1085 OG SER A 69 -2.765 50.484 -4.400 1.00 0.00 O ATOM 0 H SER A 69 -2.202 48.171 -4.994 1.00 0.00 H new ATOM 0 HA SER A 69 -1.385 50.210 -6.674 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.880 50.061 -3.669 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.996 51.526 -4.624 1.00 0.00 H new ATOM 0 HG SER A 69 -3.015 50.986 -3.596 1.00 0.00 H new ATOM 1091 N LYS A 70 1.156 48.645 -5.342 1.00 0.00 N ATOM 1092 CA LYS A 70 2.635 48.496 -5.416 1.00 0.00 C ATOM 1093 C LYS A 70 2.965 47.370 -6.396 1.00 0.00 C ATOM 1094 O LYS A 70 2.090 46.650 -6.835 1.00 0.00 O ATOM 1095 CB LYS A 70 3.172 48.142 -4.029 1.00 0.00 C ATOM 1096 CG LYS A 70 2.393 46.950 -3.470 1.00 0.00 C ATOM 1097 CD LYS A 70 3.368 45.826 -3.117 1.00 0.00 C ATOM 1098 CE LYS A 70 3.141 45.389 -1.669 1.00 0.00 C ATOM 1099 NZ LYS A 70 4.311 44.595 -1.199 1.00 0.00 N ATOM 0 H LYS A 70 0.676 47.913 -4.818 1.00 0.00 H new ATOM 0 HA LYS A 70 3.092 49.426 -5.754 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.233 47.901 -4.089 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.077 48.998 -3.361 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.832 47.251 -2.585 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.667 46.600 -4.204 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.224 44.981 -3.790 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.395 46.167 -3.248 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.002 46.263 -1.032 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.231 44.793 -1.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.204 44.385 -0.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.364 43.705 -1.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.184 45.141 -1.348 1.00 0.00 H new ATOM 1113 N PRO A 71 4.249 47.209 -6.749 1.00 0.00 N ATOM 1114 CA PRO A 71 4.676 46.159 -7.680 1.00 0.00 C ATOM 1115 C PRO A 71 4.478 44.759 -7.085 1.00 0.00 C ATOM 1116 O PRO A 71 4.141 44.608 -5.928 1.00 0.00 O ATOM 1117 CB PRO A 71 6.163 46.446 -7.888 1.00 0.00 C ATOM 1118 CG PRO A 71 6.571 47.191 -6.663 1.00 0.00 C ATOM 1119 CD PRO A 71 5.382 48.024 -6.277 1.00 0.00 C ATOM 0 HA PRO A 71 4.099 46.168 -8.605 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.734 45.524 -8.001 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.332 47.038 -8.788 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.845 46.505 -5.861 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.441 47.818 -6.858 1.00 0.00 H new ATOM 0 HD2 PRO A 71 5.338 48.194 -5.201 1.00 0.00 H new ATOM 0 HD3 PRO A 71 5.402 49.004 -6.754 1.00 0.00 H new ATOM 1127 N LEU A 72 4.673 43.734 -7.872 1.00 0.00 N ATOM 1128 CA LEU A 72 4.485 42.348 -7.355 1.00 0.00 C ATOM 1129 C LEU A 72 5.839 41.723 -7.022 1.00 0.00 C ATOM 1130 O LEU A 72 6.827 41.955 -7.689 1.00 0.00 O ATOM 1131 CB LEU A 72 3.778 41.503 -8.416 1.00 0.00 C ATOM 1132 CG LEU A 72 2.385 42.078 -8.682 1.00 0.00 C ATOM 1133 CD1 LEU A 72 1.948 41.721 -10.103 1.00 0.00 C ATOM 1134 CD2 LEU A 72 1.391 41.487 -7.680 1.00 0.00 C ATOM 0 H LEU A 72 4.954 43.797 -8.850 1.00 0.00 H new ATOM 0 HA LEU A 72 3.879 42.383 -6.449 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.361 41.494 -9.337 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.698 40.469 -8.079 1.00 0.00 H new ATOM 0 HG LEU A 72 2.412 43.162 -8.572 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.956 42.131 -10.292 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.656 42.140 -10.818 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.920 40.637 -10.214 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.398 41.896 -7.868 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.364 40.403 -7.790 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.702 41.741 -6.667 1.00 0.00 H new ATOM 1146 N VAL A 73 5.886 40.925 -5.989 1.00 0.00 N ATOM 1147 CA VAL A 73 7.165 40.275 -5.598 1.00 0.00 C ATOM 1148 C VAL A 73 6.951 38.764 -5.487 1.00 0.00 C ATOM 1149 O VAL A 73 6.081 38.301 -4.776 1.00 0.00 O ATOM 1150 CB VAL A 73 7.622 40.824 -4.245 1.00 0.00 C ATOM 1151 CG1 VAL A 73 8.947 40.170 -3.849 1.00 0.00 C ATOM 1152 CG2 VAL A 73 7.811 42.339 -4.348 1.00 0.00 C ATOM 0 H VAL A 73 5.087 40.696 -5.397 1.00 0.00 H new ATOM 0 HA VAL A 73 7.926 40.483 -6.351 1.00 0.00 H new ATOM 0 HB VAL A 73 6.868 40.602 -3.489 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.272 40.561 -2.885 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.813 39.091 -3.776 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.702 40.391 -4.604 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.137 42.731 -3.385 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.564 42.561 -5.104 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.867 42.805 -4.629 1.00 0.00 H new ATOM 1162 N GLY A 74 7.737 37.992 -6.184 1.00 0.00 N ATOM 1163 CA GLY A 74 7.580 36.510 -6.120 1.00 0.00 C ATOM 1164 C GLY A 74 8.571 35.931 -5.107 1.00 0.00 C ATOM 1165 O GLY A 74 9.448 36.620 -4.623 1.00 0.00 O ATOM 0 H GLY A 74 8.483 38.323 -6.796 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.560 36.254 -5.833 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.753 36.073 -7.104 1.00 0.00 H new ATOM 1169 N PRO A 75 8.425 34.637 -4.783 1.00 0.00 N ATOM 1170 CA PRO A 75 7.374 33.787 -5.355 1.00 0.00 C ATOM 1171 C PRO A 75 5.981 34.197 -4.868 1.00 0.00 C ATOM 1172 O PRO A 75 5.805 34.654 -3.758 1.00 0.00 O ATOM 1173 CB PRO A 75 7.726 32.389 -4.853 1.00 0.00 C ATOM 1174 CG PRO A 75 8.510 32.625 -3.606 1.00 0.00 C ATOM 1175 CD PRO A 75 9.273 33.901 -3.828 1.00 0.00 C ATOM 0 HA PRO A 75 7.335 33.859 -6.442 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.830 31.802 -4.653 1.00 0.00 H new ATOM 0 HB3 PRO A 75 8.310 31.838 -5.590 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.851 32.710 -2.742 1.00 0.00 H new ATOM 0 HG3 PRO A 75 9.188 31.795 -3.409 1.00 0.00 H new ATOM 0 HD2 PRO A 75 9.409 34.456 -2.900 1.00 0.00 H new ATOM 0 HD3 PRO A 75 10.266 33.711 -4.235 1.00 0.00 H new ATOM 1183 N PHE A 76 4.994 34.047 -5.706 1.00 0.00 N ATOM 1184 CA PHE A 76 3.609 34.439 -5.322 1.00 0.00 C ATOM 1185 C PHE A 76 2.855 33.247 -4.730 1.00 0.00 C ATOM 1186 O PHE A 76 3.052 32.112 -5.124 1.00 0.00 O ATOM 1187 CB PHE A 76 2.873 34.924 -6.571 1.00 0.00 C ATOM 1188 CG PHE A 76 3.597 36.116 -7.148 1.00 0.00 C ATOM 1189 CD1 PHE A 76 3.503 37.363 -6.520 1.00 0.00 C ATOM 1190 CD2 PHE A 76 4.364 35.973 -8.310 1.00 0.00 C ATOM 1191 CE1 PHE A 76 4.176 38.468 -7.054 1.00 0.00 C ATOM 1192 CE2 PHE A 76 5.038 37.078 -8.844 1.00 0.00 C ATOM 1193 CZ PHE A 76 4.943 38.326 -8.217 1.00 0.00 C ATOM 0 H PHE A 76 5.088 33.667 -6.648 1.00 0.00 H new ATOM 0 HA PHE A 76 3.658 35.229 -4.573 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.821 34.124 -7.309 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.847 35.194 -6.320 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.911 37.473 -5.623 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.436 35.011 -8.795 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.104 39.430 -6.569 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.631 36.967 -9.740 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.461 39.179 -8.630 1.00 0.00 H new ATOM 1203 N ASN A 77 1.975 33.500 -3.798 1.00 0.00 N ATOM 1204 CA ASN A 77 1.182 32.392 -3.193 1.00 0.00 C ATOM 1205 C ASN A 77 -0.266 32.504 -3.680 1.00 0.00 C ATOM 1206 O ASN A 77 -0.777 33.589 -3.876 1.00 0.00 O ATOM 1207 CB ASN A 77 1.215 32.507 -1.667 1.00 0.00 C ATOM 1208 CG ASN A 77 2.659 32.704 -1.201 1.00 0.00 C ATOM 1209 OD1 ASN A 77 3.415 31.758 -1.111 1.00 0.00 O ATOM 1210 ND2 ASN A 77 3.076 33.903 -0.897 1.00 0.00 N ATOM 0 H ASN A 77 1.771 34.429 -3.429 1.00 0.00 H new ATOM 0 HA ASN A 77 1.604 31.431 -3.487 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.599 33.345 -1.342 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.795 31.608 -1.215 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.036 34.045 -0.584 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.441 34.698 -0.972 1.00 0.00 H new ATOM 1217 N PHE A 78 -0.934 31.402 -3.888 1.00 0.00 N ATOM 1218 CA PHE A 78 -2.344 31.476 -4.371 1.00 0.00 C ATOM 1219 C PHE A 78 -3.217 30.472 -3.617 1.00 0.00 C ATOM 1220 O PHE A 78 -2.970 29.283 -3.639 1.00 0.00 O ATOM 1221 CB PHE A 78 -2.393 31.144 -5.864 1.00 0.00 C ATOM 1222 CG PHE A 78 -1.443 32.037 -6.623 1.00 0.00 C ATOM 1223 CD1 PHE A 78 -0.063 31.926 -6.421 1.00 0.00 C ATOM 1224 CD2 PHE A 78 -1.944 32.974 -7.535 1.00 0.00 C ATOM 1225 CE1 PHE A 78 0.816 32.750 -7.133 1.00 0.00 C ATOM 1226 CE2 PHE A 78 -1.066 33.798 -8.246 1.00 0.00 C ATOM 1227 CZ PHE A 78 0.315 33.686 -8.046 1.00 0.00 C ATOM 0 H PHE A 78 -0.569 30.460 -3.746 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.718 32.485 -4.197 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -2.127 30.099 -6.021 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.407 31.275 -6.241 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.324 31.205 -5.716 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.009 33.060 -7.689 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.881 32.664 -6.978 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.453 34.521 -8.949 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.994 34.321 -8.596 1.00 0.00 H new ATOM 1237 N ARG A 79 -4.256 30.934 -2.971 1.00 0.00 N ATOM 1238 CA ARG A 79 -5.153 29.990 -2.248 1.00 0.00 C ATOM 1239 C ARG A 79 -6.405 29.772 -3.100 1.00 0.00 C ATOM 1240 O ARG A 79 -6.883 30.675 -3.758 1.00 0.00 O ATOM 1241 CB ARG A 79 -5.538 30.563 -0.882 1.00 0.00 C ATOM 1242 CG ARG A 79 -6.027 29.431 0.024 1.00 0.00 C ATOM 1243 CD ARG A 79 -6.307 29.980 1.425 1.00 0.00 C ATOM 1244 NE ARG A 79 -7.102 28.984 2.198 1.00 0.00 N ATOM 1245 CZ ARG A 79 -7.432 29.231 3.436 1.00 0.00 C ATOM 1246 NH1 ARG A 79 -6.602 28.950 4.401 1.00 0.00 N ATOM 1247 NH2 ARG A 79 -8.595 29.758 3.707 1.00 0.00 N ATOM 0 H ARG A 79 -4.519 31.918 -2.914 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.641 29.042 -2.084 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.681 31.061 -0.430 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -6.319 31.314 -0.997 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -6.931 28.985 -0.390 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -5.277 28.642 0.075 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -5.369 30.191 1.939 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -6.851 30.922 1.356 1.00 0.00 H new ATOM 0 HE ARG A 79 -7.388 28.109 1.759 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -5.694 28.537 4.189 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -6.861 29.143 5.369 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -9.245 29.976 2.951 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -8.854 29.952 4.674 1.00 0.00 H new ATOM 1261 N PHE A 80 -6.918 28.574 -3.126 1.00 0.00 N ATOM 1262 CA PHE A 80 -8.111 28.295 -3.975 1.00 0.00 C ATOM 1263 C PHE A 80 -9.259 27.718 -3.146 1.00 0.00 C ATOM 1264 O PHE A 80 -9.058 26.937 -2.242 1.00 0.00 O ATOM 1265 CB PHE A 80 -7.719 27.266 -5.033 1.00 0.00 C ATOM 1266 CG PHE A 80 -7.096 27.971 -6.212 1.00 0.00 C ATOM 1267 CD1 PHE A 80 -5.923 28.716 -6.042 1.00 0.00 C ATOM 1268 CD2 PHE A 80 -7.690 27.879 -7.475 1.00 0.00 C ATOM 1269 CE1 PHE A 80 -5.344 29.370 -7.137 1.00 0.00 C ATOM 1270 CE2 PHE A 80 -7.112 28.533 -8.569 1.00 0.00 C ATOM 1271 CZ PHE A 80 -5.939 29.279 -8.400 1.00 0.00 C ATOM 0 H PHE A 80 -6.564 27.777 -2.597 1.00 0.00 H new ATOM 0 HA PHE A 80 -8.442 29.229 -4.428 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -7.016 26.546 -4.613 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -8.597 26.705 -5.353 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -5.465 28.786 -5.067 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -8.594 27.303 -7.606 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.439 29.944 -7.006 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -7.571 28.462 -9.544 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.494 29.784 -9.244 1.00 0.00 H new ATOM 1281 N MET A 81 -10.470 28.078 -3.476 1.00 0.00 N ATOM 1282 CA MET A 81 -11.642 27.528 -2.738 1.00 0.00 C ATOM 1283 C MET A 81 -12.599 26.918 -3.760 1.00 0.00 C ATOM 1284 O MET A 81 -13.003 27.562 -4.708 1.00 0.00 O ATOM 1285 CB MET A 81 -12.343 28.636 -1.950 1.00 0.00 C ATOM 1286 CG MET A 81 -13.694 28.124 -1.444 1.00 0.00 C ATOM 1287 SD MET A 81 -14.391 29.316 -0.275 1.00 0.00 S ATOM 1288 CE MET A 81 -14.648 28.165 1.098 1.00 0.00 C ATOM 0 H MET A 81 -10.698 28.730 -4.226 1.00 0.00 H new ATOM 0 HA MET A 81 -11.315 26.769 -2.028 1.00 0.00 H new ATOM 0 HB2 MET A 81 -11.722 28.948 -1.110 1.00 0.00 H new ATOM 0 HB3 MET A 81 -12.487 29.512 -2.583 1.00 0.00 H new ATOM 0 HG2 MET A 81 -14.376 27.978 -2.281 1.00 0.00 H new ATOM 0 HG3 MET A 81 -13.570 27.155 -0.961 1.00 0.00 H new ATOM 0 HE1 MET A 81 -15.714 27.973 1.217 1.00 0.00 H new ATOM 0 HE2 MET A 81 -14.131 27.228 0.889 1.00 0.00 H new ATOM 0 HE3 MET A 81 -14.253 28.600 2.016 1.00 0.00 H new ATOM 1298 N SER A 82 -12.938 25.668 -3.594 1.00 0.00 N ATOM 1299 CA SER A 82 -13.836 25.009 -4.580 1.00 0.00 C ATOM 1300 C SER A 82 -15.282 25.440 -4.345 1.00 0.00 C ATOM 1301 O SER A 82 -15.703 25.643 -3.224 1.00 0.00 O ATOM 1302 CB SER A 82 -13.731 23.492 -4.426 1.00 0.00 C ATOM 1303 OG SER A 82 -14.568 23.069 -3.361 1.00 0.00 O ATOM 0 H SER A 82 -12.632 25.078 -2.820 1.00 0.00 H new ATOM 0 HA SER A 82 -13.535 25.302 -5.586 1.00 0.00 H new ATOM 0 HB2 SER A 82 -14.026 23.000 -5.353 1.00 0.00 H new ATOM 0 HB3 SER A 82 -12.698 23.206 -4.228 1.00 0.00 H new ATOM 0 HG SER A 82 -15.331 22.571 -3.722 1.00 0.00 H new ATOM 1309 N LYS A 83 -16.045 25.560 -5.395 1.00 0.00 N ATOM 1310 CA LYS A 83 -17.472 25.958 -5.246 1.00 0.00 C ATOM 1311 C LYS A 83 -18.099 25.158 -4.098 1.00 0.00 C ATOM 1312 O LYS A 83 -18.768 25.702 -3.241 1.00 0.00 O ATOM 1313 CB LYS A 83 -18.209 25.670 -6.559 1.00 0.00 C ATOM 1314 CG LYS A 83 -19.607 25.122 -6.269 1.00 0.00 C ATOM 1315 CD LYS A 83 -20.469 25.267 -7.522 1.00 0.00 C ATOM 1316 CE LYS A 83 -21.653 26.185 -7.219 1.00 0.00 C ATOM 1317 NZ LYS A 83 -22.878 25.647 -7.874 1.00 0.00 N ATOM 0 H LYS A 83 -15.740 25.399 -6.355 1.00 0.00 H new ATOM 0 HA LYS A 83 -17.547 27.022 -5.020 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -18.283 26.582 -7.151 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -17.644 24.951 -7.152 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -19.547 24.075 -5.973 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -20.058 25.663 -5.437 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -19.876 25.677 -8.339 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -20.826 24.290 -7.847 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -21.805 26.257 -6.142 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -21.447 27.193 -7.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -23.684 26.271 -7.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -22.730 25.600 -8.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -23.076 24.694 -7.509 1.00 0.00 H new ATOM 1331 N GLY A 84 -17.886 23.868 -4.076 1.00 0.00 N ATOM 1332 CA GLY A 84 -18.466 23.028 -2.987 1.00 0.00 C ATOM 1333 C GLY A 84 -17.950 23.511 -1.628 1.00 0.00 C ATOM 1334 O GLY A 84 -18.394 23.061 -0.589 1.00 0.00 O ATOM 0 H GLY A 84 -17.334 23.359 -4.767 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -19.554 23.083 -3.013 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -18.196 21.983 -3.138 1.00 0.00 H new ATOM 1338 N GLY A 85 -17.025 24.431 -1.624 1.00 0.00 N ATOM 1339 CA GLY A 85 -16.494 24.951 -0.334 1.00 0.00 C ATOM 1340 C GLY A 85 -15.193 24.231 0.028 1.00 0.00 C ATOM 1341 O GLY A 85 -14.906 24.001 1.186 1.00 0.00 O ATOM 0 H GLY A 85 -16.614 24.845 -2.460 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.316 26.024 -0.411 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.231 24.806 0.456 1.00 0.00 H new ATOM 1345 N MET A 86 -14.398 23.878 -0.945 1.00 0.00 N ATOM 1346 CA MET A 86 -13.113 23.181 -0.632 1.00 0.00 C ATOM 1347 C MET A 86 -11.954 24.160 -0.818 1.00 0.00 C ATOM 1348 O MET A 86 -11.639 24.563 -1.918 1.00 0.00 O ATOM 1349 CB MET A 86 -12.929 21.981 -1.562 1.00 0.00 C ATOM 1350 CG MET A 86 -14.132 21.044 -1.428 1.00 0.00 C ATOM 1351 SD MET A 86 -13.747 19.456 -2.206 1.00 0.00 S ATOM 1352 CE MET A 86 -12.392 18.988 -1.102 1.00 0.00 C ATOM 0 H MET A 86 -14.578 24.039 -1.936 1.00 0.00 H new ATOM 0 HA MET A 86 -13.134 22.828 0.399 1.00 0.00 H new ATOM 0 HB2 MET A 86 -12.830 22.318 -2.594 1.00 0.00 H new ATOM 0 HB3 MET A 86 -12.011 21.450 -1.311 1.00 0.00 H new ATOM 0 HG2 MET A 86 -14.376 20.896 -0.376 1.00 0.00 H new ATOM 0 HG3 MET A 86 -15.008 21.489 -1.899 1.00 0.00 H new ATOM 0 HE1 MET A 86 -12.475 17.930 -0.852 1.00 0.00 H new ATOM 0 HE2 MET A 86 -11.439 19.170 -1.599 1.00 0.00 H new ATOM 0 HE3 MET A 86 -12.445 19.582 -0.189 1.00 0.00 H new ATOM 1362 N ARG A 87 -11.325 24.558 0.253 1.00 0.00 N ATOM 1363 CA ARG A 87 -10.198 25.527 0.137 1.00 0.00 C ATOM 1364 C ARG A 87 -8.867 24.790 -0.032 1.00 0.00 C ATOM 1365 O ARG A 87 -8.611 23.784 0.599 1.00 0.00 O ATOM 1366 CB ARG A 87 -10.139 26.389 1.399 1.00 0.00 C ATOM 1367 CG ARG A 87 -11.510 27.017 1.652 1.00 0.00 C ATOM 1368 CD ARG A 87 -11.432 27.935 2.874 1.00 0.00 C ATOM 1369 NE ARG A 87 -11.194 27.115 4.096 1.00 0.00 N ATOM 1370 CZ ARG A 87 -12.050 27.150 5.081 1.00 0.00 C ATOM 1371 NH1 ARG A 87 -12.509 28.295 5.506 1.00 0.00 N ATOM 1372 NH2 ARG A 87 -12.444 26.039 5.642 1.00 0.00 N ATOM 0 H ARG A 87 -11.542 24.255 1.203 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.366 26.154 -0.738 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -9.842 25.781 2.254 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -9.386 27.168 1.285 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -11.829 27.584 0.778 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -12.254 26.238 1.816 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -10.628 28.660 2.747 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -12.358 28.501 2.977 1.00 0.00 H new ATOM 0 HE ARG A 87 -10.363 26.527 4.162 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -12.199 29.163 5.069 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -13.178 28.322 6.276 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -12.083 25.144 5.311 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -13.113 26.066 6.412 1.00 0.00 H new ATOM 1386 N ASN A 88 -8.013 25.311 -0.869 1.00 0.00 N ATOM 1387 CA ASN A 88 -6.680 24.685 -1.084 1.00 0.00 C ATOM 1388 C ASN A 88 -5.640 25.805 -1.139 1.00 0.00 C ATOM 1389 O ASN A 88 -5.895 26.867 -1.670 1.00 0.00 O ATOM 1390 CB ASN A 88 -6.677 23.909 -2.403 1.00 0.00 C ATOM 1391 CG ASN A 88 -7.483 22.620 -2.239 1.00 0.00 C ATOM 1392 OD1 ASN A 88 -8.681 22.608 -2.443 1.00 0.00 O ATOM 1393 ND2 ASN A 88 -6.874 21.524 -1.876 1.00 0.00 N ATOM 0 H ASN A 88 -8.185 26.153 -1.419 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.451 23.991 -0.275 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.106 24.520 -3.197 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.654 23.676 -2.697 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.404 20.659 -1.764 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -5.869 21.532 -1.704 1.00 0.00 H new ATOM 1400 N VAL A 89 -4.480 25.595 -0.586 1.00 0.00 N ATOM 1401 CA VAL A 89 -3.456 26.678 -0.611 1.00 0.00 C ATOM 1402 C VAL A 89 -2.190 26.194 -1.315 1.00 0.00 C ATOM 1403 O VAL A 89 -1.707 25.105 -1.076 1.00 0.00 O ATOM 1404 CB VAL A 89 -3.114 27.092 0.822 1.00 0.00 C ATOM 1405 CG1 VAL A 89 -2.431 28.461 0.806 1.00 0.00 C ATOM 1406 CG2 VAL A 89 -4.398 27.172 1.650 1.00 0.00 C ATOM 0 H VAL A 89 -4.197 24.732 -0.122 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.860 27.532 -1.155 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.443 26.355 1.264 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.187 28.758 1.826 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.517 28.404 0.216 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.103 29.198 0.365 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.155 27.467 2.671 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.070 27.909 1.210 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.886 26.197 1.660 1.00 0.00 H new ATOM 1416 N PHE A 90 -1.640 27.009 -2.173 1.00 0.00 N ATOM 1417 CA PHE A 90 -0.395 26.616 -2.886 1.00 0.00 C ATOM 1418 C PHE A 90 0.672 27.682 -2.635 1.00 0.00 C ATOM 1419 O PHE A 90 0.480 28.846 -2.927 1.00 0.00 O ATOM 1420 CB PHE A 90 -0.665 26.510 -4.388 1.00 0.00 C ATOM 1421 CG PHE A 90 -1.859 25.620 -4.630 1.00 0.00 C ATOM 1422 CD1 PHE A 90 -2.050 24.473 -3.851 1.00 0.00 C ATOM 1423 CD2 PHE A 90 -2.777 25.942 -5.637 1.00 0.00 C ATOM 1424 CE1 PHE A 90 -3.159 23.648 -4.079 1.00 0.00 C ATOM 1425 CE2 PHE A 90 -3.885 25.117 -5.865 1.00 0.00 C ATOM 1426 CZ PHE A 90 -4.075 23.970 -5.087 1.00 0.00 C ATOM 0 H PHE A 90 -2.002 27.933 -2.411 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.053 25.648 -2.519 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.847 27.500 -4.805 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.210 26.106 -4.897 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -1.342 24.224 -3.074 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -2.630 26.827 -6.238 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -3.307 22.764 -3.477 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.593 25.366 -6.642 1.00 0.00 H new ATOM 0 HZ PHE A 90 -4.929 23.333 -5.264 1.00 0.00 H new ATOM 1436 N ASP A 91 1.793 27.298 -2.091 1.00 0.00 N ATOM 1437 CA ASP A 91 2.863 28.297 -1.820 1.00 0.00 C ATOM 1438 C ASP A 91 3.901 28.252 -2.942 1.00 0.00 C ATOM 1439 O ASP A 91 4.175 27.215 -3.513 1.00 0.00 O ATOM 1440 CB ASP A 91 3.540 27.976 -0.484 1.00 0.00 C ATOM 1441 CG ASP A 91 2.526 28.132 0.651 1.00 0.00 C ATOM 1442 OD1 ASP A 91 1.900 29.177 0.722 1.00 0.00 O ATOM 1443 OD2 ASP A 91 2.394 27.203 1.432 1.00 0.00 O ATOM 0 H ASP A 91 2.014 26.339 -1.823 1.00 0.00 H new ATOM 0 HA ASP A 91 2.423 29.293 -1.772 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.933 26.959 -0.498 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.387 28.643 -0.324 1.00 0.00 H new ATOM 1448 N GLU A 92 4.484 29.375 -3.255 1.00 0.00 N ATOM 1449 CA GLU A 92 5.511 29.414 -4.331 1.00 0.00 C ATOM 1450 C GLU A 92 4.957 28.786 -5.612 1.00 0.00 C ATOM 1451 O GLU A 92 5.568 27.910 -6.191 1.00 0.00 O ATOM 1452 CB GLU A 92 6.747 28.635 -3.880 1.00 0.00 C ATOM 1453 CG GLU A 92 7.955 29.070 -4.712 1.00 0.00 C ATOM 1454 CD GLU A 92 9.166 28.214 -4.336 1.00 0.00 C ATOM 1455 OE1 GLU A 92 9.092 27.525 -3.333 1.00 0.00 O ATOM 1456 OE2 GLU A 92 10.148 28.262 -5.060 1.00 0.00 O ATOM 0 H GLU A 92 4.292 30.272 -2.809 1.00 0.00 H new ATOM 0 HA GLU A 92 5.779 30.452 -4.530 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.937 28.814 -2.822 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.578 27.565 -3.997 1.00 0.00 H new ATOM 0 HG2 GLU A 92 7.736 28.963 -5.774 1.00 0.00 H new ATOM 0 HG3 GLU A 92 8.172 30.124 -4.536 1.00 0.00 H new ATOM 1463 N VAL A 93 3.817 29.225 -6.073 1.00 0.00 N ATOM 1464 CA VAL A 93 3.255 28.644 -7.325 1.00 0.00 C ATOM 1465 C VAL A 93 3.949 29.288 -8.526 1.00 0.00 C ATOM 1466 O VAL A 93 4.159 28.661 -9.545 1.00 0.00 O ATOM 1467 CB VAL A 93 1.751 28.922 -7.393 1.00 0.00 C ATOM 1468 CG1 VAL A 93 1.238 28.614 -8.801 1.00 0.00 C ATOM 1469 CG2 VAL A 93 1.024 28.035 -6.379 1.00 0.00 C ATOM 0 H VAL A 93 3.254 29.957 -5.640 1.00 0.00 H new ATOM 0 HA VAL A 93 3.419 27.567 -7.336 1.00 0.00 H new ATOM 0 HB VAL A 93 1.563 29.970 -7.160 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.167 28.812 -8.849 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.757 29.245 -9.523 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.424 27.566 -9.035 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.047 28.231 -6.426 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.211 26.987 -6.612 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.390 28.254 -5.376 1.00 0.00 H new ATOM 1479 N ILE A 94 4.312 30.535 -8.409 1.00 0.00 N ATOM 1480 CA ILE A 94 5.000 31.221 -9.536 1.00 0.00 C ATOM 1481 C ILE A 94 6.134 32.078 -8.975 1.00 0.00 C ATOM 1482 O ILE A 94 5.935 32.872 -8.075 1.00 0.00 O ATOM 1483 CB ILE A 94 3.999 32.104 -10.284 1.00 0.00 C ATOM 1484 CG1 ILE A 94 2.742 31.288 -10.598 1.00 0.00 C ATOM 1485 CG2 ILE A 94 4.629 32.595 -11.588 1.00 0.00 C ATOM 1486 CD1 ILE A 94 1.803 32.108 -11.484 1.00 0.00 C ATOM 0 H ILE A 94 4.161 31.109 -7.579 1.00 0.00 H new ATOM 0 HA ILE A 94 5.408 30.484 -10.228 1.00 0.00 H new ATOM 0 HB ILE A 94 3.733 32.961 -9.666 1.00 0.00 H new ATOM 0 HG12 ILE A 94 3.015 30.361 -11.101 1.00 0.00 H new ATOM 0 HG13 ILE A 94 2.236 31.011 -9.673 1.00 0.00 H new ATOM 0 HG21 ILE A 94 3.917 33.224 -12.122 1.00 0.00 H new ATOM 0 HG22 ILE A 94 5.526 33.172 -11.364 1.00 0.00 H new ATOM 0 HG23 ILE A 94 4.894 31.739 -12.209 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.910 31.524 -11.705 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.519 33.023 -10.964 1.00 0.00 H new ATOM 0 HD13 ILE A 94 2.310 32.362 -12.415 1.00 0.00 H new ATOM 1498 N PRO A 95 7.351 31.903 -9.507 1.00 0.00 N ATOM 1499 CA PRO A 95 8.529 32.650 -9.048 1.00 0.00 C ATOM 1500 C PRO A 95 8.451 34.133 -9.419 1.00 0.00 C ATOM 1501 O PRO A 95 7.705 34.530 -10.292 1.00 0.00 O ATOM 1502 CB PRO A 95 9.688 31.980 -9.785 1.00 0.00 C ATOM 1503 CG PRO A 95 9.064 31.382 -11.000 1.00 0.00 C ATOM 1504 CD PRO A 95 7.676 30.967 -10.597 1.00 0.00 C ATOM 0 HA PRO A 95 8.628 32.627 -7.963 1.00 0.00 H new ATOM 0 HB2 PRO A 95 10.460 32.702 -10.050 1.00 0.00 H new ATOM 0 HB3 PRO A 95 10.163 31.218 -9.167 1.00 0.00 H new ATOM 0 HG2 PRO A 95 9.033 32.103 -11.817 1.00 0.00 H new ATOM 0 HG3 PRO A 95 9.640 30.526 -11.352 1.00 0.00 H new ATOM 0 HD2 PRO A 95 6.973 31.053 -11.425 1.00 0.00 H new ATOM 0 HD3 PRO A 95 7.647 29.931 -10.261 1.00 0.00 H new ATOM 1512 N THR A 96 9.215 34.955 -8.752 1.00 0.00 N ATOM 1513 CA THR A 96 9.189 36.414 -9.052 1.00 0.00 C ATOM 1514 C THR A 96 9.368 36.638 -10.554 1.00 0.00 C ATOM 1515 O THR A 96 8.781 37.532 -11.128 1.00 0.00 O ATOM 1516 CB THR A 96 10.323 37.111 -8.295 1.00 0.00 C ATOM 1517 OG1 THR A 96 10.206 36.831 -6.907 1.00 0.00 O ATOM 1518 CG2 THR A 96 10.237 38.621 -8.523 1.00 0.00 C ATOM 0 H THR A 96 9.858 34.677 -8.010 1.00 0.00 H new ATOM 0 HA THR A 96 8.231 36.828 -8.738 1.00 0.00 H new ATOM 0 HB THR A 96 11.283 36.745 -8.659 1.00 0.00 H new ATOM 0 HG1 THR A 96 10.932 37.276 -6.421 1.00 0.00 H new ATOM 0 HG21 THR A 96 11.044 39.117 -7.984 1.00 0.00 H new ATOM 0 HG22 THR A 96 10.327 38.834 -9.588 1.00 0.00 H new ATOM 0 HG23 THR A 96 9.278 38.990 -8.159 1.00 0.00 H new ATOM 1526 N ALA A 97 10.177 35.839 -11.198 1.00 0.00 N ATOM 1527 CA ALA A 97 10.380 36.030 -12.661 1.00 0.00 C ATOM 1528 C ALA A 97 9.608 34.955 -13.429 1.00 0.00 C ATOM 1529 O ALA A 97 10.026 33.817 -13.509 1.00 0.00 O ATOM 1530 CB ALA A 97 11.870 35.928 -12.990 1.00 0.00 C ATOM 0 H ALA A 97 10.700 35.071 -10.778 1.00 0.00 H new ATOM 0 HA ALA A 97 10.014 37.015 -12.952 1.00 0.00 H new ATOM 0 HB1 ALA A 97 12.017 36.068 -14.061 1.00 0.00 H new ATOM 0 HB2 ALA A 97 12.416 36.698 -12.445 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.241 34.945 -12.699 1.00 0.00 H new ATOM 1536 N PHE A 98 8.489 35.307 -13.997 1.00 0.00 N ATOM 1537 CA PHE A 98 7.695 34.304 -14.762 1.00 0.00 C ATOM 1538 C PHE A 98 7.747 34.650 -16.250 1.00 0.00 C ATOM 1539 O PHE A 98 7.953 35.788 -16.625 1.00 0.00 O ATOM 1540 CB PHE A 98 6.243 34.334 -14.281 1.00 0.00 C ATOM 1541 CG PHE A 98 5.689 35.730 -14.439 1.00 0.00 C ATOM 1542 CD1 PHE A 98 5.111 36.121 -15.653 1.00 0.00 C ATOM 1543 CD2 PHE A 98 5.754 36.632 -13.371 1.00 0.00 C ATOM 1544 CE1 PHE A 98 4.598 37.416 -15.798 1.00 0.00 C ATOM 1545 CE2 PHE A 98 5.242 37.926 -13.516 1.00 0.00 C ATOM 1546 CZ PHE A 98 4.664 38.319 -14.729 1.00 0.00 C ATOM 0 H PHE A 98 8.089 36.245 -13.965 1.00 0.00 H new ATOM 0 HA PHE A 98 8.109 33.308 -14.604 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.644 33.627 -14.854 1.00 0.00 H new ATOM 0 HB3 PHE A 98 6.188 34.025 -13.237 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.061 35.424 -16.477 1.00 0.00 H new ATOM 0 HD2 PHE A 98 6.199 36.329 -12.435 1.00 0.00 H new ATOM 0 HE1 PHE A 98 4.152 37.718 -16.734 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.293 38.622 -12.692 1.00 0.00 H new ATOM 0 HZ PHE A 98 4.269 39.318 -14.841 1.00 0.00 H new ATOM 1556 N SER A 99 7.563 33.681 -17.104 1.00 0.00 N ATOM 1557 CA SER A 99 7.604 33.963 -18.565 1.00 0.00 C ATOM 1558 C SER A 99 6.186 33.926 -19.129 1.00 0.00 C ATOM 1559 O SER A 99 5.247 33.558 -18.452 1.00 0.00 O ATOM 1560 CB SER A 99 8.459 32.907 -19.267 1.00 0.00 C ATOM 1561 OG SER A 99 9.828 33.279 -19.190 1.00 0.00 O ATOM 0 H SER A 99 7.386 32.708 -16.853 1.00 0.00 H new ATOM 0 HA SER A 99 8.037 34.949 -18.732 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.309 31.933 -18.801 1.00 0.00 H new ATOM 0 HB3 SER A 99 8.155 32.812 -20.309 1.00 0.00 H new ATOM 0 HG SER A 99 10.377 32.602 -19.638 1.00 0.00 H new ATOM 1567 N ILE A 100 6.022 34.301 -20.365 1.00 0.00 N ATOM 1568 CA ILE A 100 4.663 34.282 -20.970 1.00 0.00 C ATOM 1569 C ILE A 100 4.551 33.085 -21.914 1.00 0.00 C ATOM 1570 O ILE A 100 5.438 32.818 -22.700 1.00 0.00 O ATOM 1571 CB ILE A 100 4.428 35.579 -21.748 1.00 0.00 C ATOM 1572 CG1 ILE A 100 4.532 36.772 -20.795 1.00 0.00 C ATOM 1573 CG2 ILE A 100 3.034 35.552 -22.380 1.00 0.00 C ATOM 1574 CD1 ILE A 100 3.336 36.768 -19.841 1.00 0.00 C ATOM 0 H ILE A 100 6.769 34.620 -20.982 1.00 0.00 H new ATOM 0 HA ILE A 100 3.913 34.198 -20.184 1.00 0.00 H new ATOM 0 HB ILE A 100 5.180 35.672 -22.532 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.462 36.719 -20.229 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.556 37.703 -21.362 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.868 36.476 -22.934 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.959 34.703 -23.060 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.281 35.458 -21.597 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.409 37.617 -19.162 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.412 36.841 -20.415 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.333 35.842 -19.265 1.00 0.00 H new ATOM 1586 N GLY A 101 3.467 32.364 -21.848 1.00 0.00 N ATOM 1587 CA GLY A 101 3.302 31.188 -22.746 1.00 0.00 C ATOM 1588 C GLY A 101 3.647 29.904 -21.988 1.00 0.00 C ATOM 1589 O GLY A 101 3.625 28.824 -22.545 1.00 0.00 O ATOM 0 H GLY A 101 2.689 32.538 -21.212 1.00 0.00 H new ATOM 0 HA2 GLY A 101 2.277 31.140 -23.113 1.00 0.00 H new ATOM 0 HA3 GLY A 101 3.948 31.291 -23.618 1.00 0.00 H new ATOM 1593 N LYS A 102 3.961 30.002 -20.724 1.00 0.00 N ATOM 1594 CA LYS A 102 4.297 28.771 -19.955 1.00 0.00 C ATOM 1595 C LYS A 102 3.279 28.590 -18.827 1.00 0.00 C ATOM 1596 O LYS A 102 2.832 29.546 -18.226 1.00 0.00 O ATOM 1597 CB LYS A 102 5.705 28.894 -19.366 1.00 0.00 C ATOM 1598 CG LYS A 102 6.201 27.511 -18.943 1.00 0.00 C ATOM 1599 CD LYS A 102 7.527 27.649 -18.193 1.00 0.00 C ATOM 1600 CE LYS A 102 8.112 26.259 -17.931 1.00 0.00 C ATOM 1601 NZ LYS A 102 9.293 26.042 -18.814 1.00 0.00 N ATOM 0 H LYS A 102 3.999 30.873 -20.195 1.00 0.00 H new ATOM 0 HA LYS A 102 4.265 27.907 -20.619 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.383 29.326 -20.102 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.695 29.567 -18.509 1.00 0.00 H new ATOM 0 HG2 LYS A 102 5.460 27.027 -18.307 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.332 26.877 -19.820 1.00 0.00 H new ATOM 0 HD2 LYS A 102 8.227 28.246 -18.777 1.00 0.00 H new ATOM 0 HD3 LYS A 102 7.371 28.173 -17.250 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.405 26.167 -16.885 1.00 0.00 H new ATOM 0 HE3 LYS A 102 7.358 25.494 -18.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 9.691 25.098 -18.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 9.000 26.112 -19.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 10.014 26.764 -18.614 1.00 0.00 H new ATOM 1615 N THR A 103 2.900 27.373 -18.538 1.00 0.00 N ATOM 1616 CA THR A 103 1.902 27.154 -17.454 1.00 0.00 C ATOM 1617 C THR A 103 2.618 27.182 -16.101 1.00 0.00 C ATOM 1618 O THR A 103 3.827 27.290 -16.040 1.00 0.00 O ATOM 1619 CB THR A 103 1.232 25.791 -17.651 1.00 0.00 C ATOM 1620 OG1 THR A 103 0.900 25.625 -19.022 1.00 0.00 O ATOM 1621 CG2 THR A 103 -0.038 25.715 -16.803 1.00 0.00 C ATOM 0 H THR A 103 3.236 26.529 -19.002 1.00 0.00 H new ATOM 0 HA THR A 103 1.145 27.938 -17.484 1.00 0.00 H new ATOM 0 HB THR A 103 1.917 25.001 -17.343 1.00 0.00 H new ATOM 0 HG1 THR A 103 0.473 24.753 -19.152 1.00 0.00 H new ATOM 0 HG21 THR A 103 -0.513 24.744 -16.945 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.218 25.843 -15.751 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.726 26.503 -17.107 1.00 0.00 H new ATOM 1629 N TYR A 104 1.901 27.078 -15.016 1.00 0.00 N ATOM 1630 CA TYR A 104 2.571 27.089 -13.687 1.00 0.00 C ATOM 1631 C TYR A 104 1.626 26.486 -12.646 1.00 0.00 C ATOM 1632 O TYR A 104 0.737 27.143 -12.142 1.00 0.00 O ATOM 1633 CB TYR A 104 2.920 28.527 -13.305 1.00 0.00 C ATOM 1634 CG TYR A 104 4.225 28.902 -13.961 1.00 0.00 C ATOM 1635 CD1 TYR A 104 5.421 28.332 -13.508 1.00 0.00 C ATOM 1636 CD2 TYR A 104 4.240 29.808 -15.027 1.00 0.00 C ATOM 1637 CE1 TYR A 104 6.633 28.671 -14.121 1.00 0.00 C ATOM 1638 CE2 TYR A 104 5.452 30.147 -15.641 1.00 0.00 C ATOM 1639 CZ TYR A 104 6.649 29.579 -15.188 1.00 0.00 C ATOM 1640 OH TYR A 104 7.844 29.912 -15.793 1.00 0.00 O ATOM 0 H TYR A 104 0.885 26.986 -14.993 1.00 0.00 H new ATOM 0 HA TYR A 104 3.487 26.500 -13.728 1.00 0.00 H new ATOM 0 HB2 TYR A 104 2.129 29.205 -13.625 1.00 0.00 H new ATOM 0 HB3 TYR A 104 3.002 28.620 -12.222 1.00 0.00 H new ATOM 0 HD1 TYR A 104 5.408 27.631 -12.686 1.00 0.00 H new ATOM 0 HD2 TYR A 104 3.317 30.246 -15.376 1.00 0.00 H new ATOM 0 HE1 TYR A 104 7.556 28.233 -13.771 1.00 0.00 H new ATOM 0 HE2 TYR A 104 5.464 30.846 -16.464 1.00 0.00 H new ATOM 0 HH TYR A 104 7.677 30.553 -16.516 1.00 0.00 H new ATOM 1650 N LYS A 105 1.806 25.233 -12.328 1.00 0.00 N ATOM 1651 CA LYS A 105 0.911 24.580 -11.329 1.00 0.00 C ATOM 1652 C LYS A 105 1.608 24.522 -9.969 1.00 0.00 C ATOM 1653 O LYS A 105 2.804 24.711 -9.865 1.00 0.00 O ATOM 1654 CB LYS A 105 0.582 23.158 -11.792 1.00 0.00 C ATOM 1655 CG LYS A 105 0.544 23.111 -13.322 1.00 0.00 C ATOM 1656 CD LYS A 105 0.487 21.654 -13.784 1.00 0.00 C ATOM 1657 CE LYS A 105 1.880 21.029 -13.675 1.00 0.00 C ATOM 1658 NZ LYS A 105 1.830 19.860 -12.752 1.00 0.00 N ATOM 0 H LYS A 105 2.534 24.633 -12.716 1.00 0.00 H new ATOM 0 HA LYS A 105 -0.008 25.158 -11.239 1.00 0.00 H new ATOM 0 HB2 LYS A 105 1.330 22.460 -11.415 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -0.380 22.846 -11.385 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -0.325 23.656 -13.692 1.00 0.00 H new ATOM 0 HG3 LYS A 105 1.427 23.600 -13.734 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -0.223 21.095 -13.174 1.00 0.00 H new ATOM 0 HD3 LYS A 105 0.133 21.601 -14.813 1.00 0.00 H new ATOM 0 HE2 LYS A 105 2.227 20.714 -14.659 1.00 0.00 H new ATOM 0 HE3 LYS A 105 2.593 21.766 -13.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 2.776 19.435 -12.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 1.517 20.174 -11.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 1.162 19.154 -13.122 1.00 0.00 H new ATOM 1672 N PRO A 106 0.836 24.254 -8.904 1.00 0.00 N ATOM 1673 CA PRO A 106 1.370 24.167 -7.538 1.00 0.00 C ATOM 1674 C PRO A 106 2.245 22.924 -7.347 1.00 0.00 C ATOM 1675 O PRO A 106 2.225 22.010 -8.148 1.00 0.00 O ATOM 1676 CB PRO A 106 0.117 24.060 -6.671 1.00 0.00 C ATOM 1677 CG PRO A 106 -0.919 23.482 -7.575 1.00 0.00 C ATOM 1678 CD PRO A 106 -0.619 24.015 -8.948 1.00 0.00 C ATOM 0 HA PRO A 106 2.004 25.018 -7.292 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.288 23.421 -5.805 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -0.187 25.036 -6.292 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -0.882 22.393 -7.563 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -1.920 23.771 -7.255 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -0.887 23.299 -9.725 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -1.172 24.931 -9.154 1.00 0.00 H new